| 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 | 37.1 | Very low | 46.4 | Very low | 247 Ų | 247 | 133.7 Ų | 133.7 | 100% | 1.217 | 75% | 0.75 | S | S | * | * | 0 | 125.1 | 0 | -68.6 | 165.4 | 173.7 | 0 | 0 | 107 | |||||
| 2 | A | 34.1 | Very low | 48.8 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | trans | -100.5 | 117.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A4 | A2-A4 PolarHBondContact O-N 3.12Š| ||
| 3 | S | 39.3 | Very low | 51.1 | Low | 124 Ų | 124 | 122 Ų | 122 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -70.8 | 113.3 | 173.2 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | A5 | S3-A5 PolarHBondContact O-N 2.81Š| ||
| 4 | A | 40.2 | Very low | 52.9 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | A2 | A2-A4 PolarHBondContact O-N 3.12Š|
| 5 | A | 38.1 | Very low | 54.5 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S3 Q7 | S3-A5 PolarHBondContact O-N 2.81Å; A5-Q7 PolarHBondContact O-N 3.46Å |
| 6 | P | 39.7 | Very low | 55.6 | Low | 125 Ų | 125 | 114 Ų | 114 | 81% | 0.812 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130 | 176.5 | 25.4 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 7 | Q | 43.1 | Very low | 55.7 | Low | 160 Ų | 160 | 114.6 Ų | 114.6 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -65 | 138.6 | -179.4 | -72.3 | -176.1 | -21.7 | 0 | 0 | 110.3 | A5 | A5-Q7 PolarHBondContact O-N 3.46Š|
| 8 | K | 46.4 | Very low | 55.9 | Low | 196 Ų | 196 | 109.9 Ų | 109.9 | 85% | 0.852 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 150.2 | -177.3 | -57.1 | 176.4 | -177.1 | -179.5 | 0 | 109.8 | M10 | K8-M10 PolarHBondContact O-N 2.89Å; K8-M10 VanDerWaalsContact O-N 3.09Å |
| 9 | R | 54.3 | Low | 55.8 | Low | 226 Ų | 226 | 106.3 Ų | 106.3 | 85% | 0.853 | 60% | 0.6 | S | S | * | * | trans | -27.9 | 110.1 | -179.2 | -87.1 | -177 | 169.2 | 172.5 | -5.5 | 112.5 | V11 | R9-V11 VanDerWaalsContact C-N 3.31Š| ||
| 10 | M | 68 | Low | 55.8 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -87.3 | -4.4 | 178.5 | -56.5 | -176.9 | 83 | 0 | 0 | 113 | K8 P362 | K8-M10 PolarHBondContact O-N 2.89Å; K8-M10 VanDerWaalsContact O-N 3.09Å; M10-P362 HydrophobicContact CE-CG 4.44Å |
| 11 | V | 70.1 | Confident | 56.3 | Low | 19 Ų | 19 | 103.4 Ų | 103.4 | 12% | 0.115 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.2 | 179.8 | -167.2 | 0 | 0 | 0 | 0 | 108.7 | R9 V330 E331 C332 Y342 P353 C360 | R9-V11 VanDerWaalsContact C-N 3.31Å; V11-V330 HydrophobicContact CG1-CG1 3.81Å; V11-E331 VanDerWaalsContact CA-O 3.3Å; V11-E331 WeakPolarHBondContact CA-O 3.17Å; V11-E331 WeakPolarHBondContact CG1-O 3.3Å; V11-C332 HydrophobicContact CG1-CB 4.33Å; V11-C332 HydrophobicContact CG2-CB 4.29Å; V11-Y342 HydrophobicContact CG1-CE2 4.47Å; V11-Y342 WeakPolarHBondContact CG1-OH 3.41Å; V11-Y342 WeakPolarHBondContact CG2-OH 3.29Å; V11-P353 HydrophobicContact CG1-CB 4.1Å; V11-C360 HydrophobicContact CG2-CB 4.35Å |
| 12 | S | 75.8 | Confident | 57.9 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 35% | 0.35 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.4 | 162.6 | -160.9 | 0 | 0 | 0 | 0 | 109.8 | E331 | S12-E331 PolarHBondContact N-O 3.47Å; S12-E331 PolarHBondContact O-N 3.43Å |
| 13 | S | 78.2 | Confident | 59.9 | Low | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 142.9 | 151.4 | 44 | 0 | 0 | 0 | 0 | 108.4 | T329 | S13-T329 WeakPolarHBondContact CA-O 3.21Å |
| 14 | V | 76.1 | Confident | 61.3 | Low | 45 Ų | 45 | 94.8 Ų | 94.8 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.1 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 106.6 | Y328 T329 E331 | V14-Y328 CarbonylContact O-C 3.54Å; V14-Y328 WeakPolarHBondContact O-CA 3.43Å; V14-Y328 WeakPolarHBondContact O-CB 3.41Å; V14-T329 PolarHBondContact N-O 3.4Å; V14-T329 PolarHBondContact O-N 2.96Å; V14-T329 PolarHBondContact O-OG1 3.19Å; V14-T329 VanDerWaalsContact O-OG1 3.1Å; V14-E331 HydrophobicContact CG2-CG 4.26Å |
| 15 | F | 76.7 | Confident | 63.1 | Low | 165 Ų | 165 | 94.2 Ų | 94.2 | 72% | 0.724 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 144.4 | 171 | -71.3 | -74.9 | 0 | 0 | 0 | 109.1 | T17 | F15-T17 VanDerWaalsContact C-N 3.35Å; F15-T17 PolarHBondContact O-N 2.97Å |
| 16 | I | 72.3 | Confident | 64.9 | Low | 28 Ų | 28 | 93.2 Ų | 93.2 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | trans | -71.8 | 91.9 | -174.4 | -58 | -163.8 | 0 | 0 | 0 | 109.8 | L18 I318 P320 D326 T329 | I16-L18 HydrophobicContact CG2-CB 4.04Å; I16-L18 HydrophobicContact CG2-CD1 3.46Å; I16-L18 VanDerWaalsContact CG2-CD1 3.46Å; I16-L18 HydrophobicContact CG2-CG 3.55Å; I16-L18 PolarHBondContact O-N 3.3Å; I16-I318 HydrophobicContact CD1-CB 4.48Å; I16-I318 HydrophobicContact CD1-CG2 3.73Å; I16-P320 HydrophobicContact CB-CG 3.99Å; I16-P320 HydrophobicContact CD1-CG 3.98Å; I16-P320 HydrophobicContact CG1-CG 4.37Å; I16-P320 HydrophobicContact CG2-CG 4.08Å; I16-D326 WeakPolarHBondContact CD1-O 3.43Å; I16-T329 HydrophobicContact CD1-CG2 3.88Å; I16-T329 HydrophobicContact CG1-CG2 4.01Å | ||
| 17 | T | 57.4 | Low | 66.7 | Low | 124 Ų | 124 | 89.4 Ų | 89.4 | 76% | 0.761 | 46% | 0.461 | S | S | * | . | trans | -76.2 | 22.6 | -177 | 46.7 | 0 | 0 | 0 | 0 | 114 | F15 S19 | F15-T17 VanDerWaalsContact C-N 3.35Å; F15-T17 PolarHBondContact O-N 2.97Å; T17-S19 PolarHBondContact O-N 3.24Å | ||
| 18 | L | 60.1 | Low | 68 | Low | 31 Ų | 31 | 86.6 Ų | 86.6 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -56.9 | 131.1 | 164.7 | -66.1 | 176.6 | 0 | 0 | 0 | 107.9 | I16 A20 Y303 Y304 Y307 A308 | I16-L18 HydrophobicContact CG2-CB 4.04Å; I16-L18 HydrophobicContact CG2-CD1 3.46Å; I16-L18 VanDerWaalsContact CG2-CD1 3.46Å; I16-L18 HydrophobicContact CG2-CG 3.55Å; I16-L18 PolarHBondContact O-N 3.3Å; L18-A20 PolarHBondContact O-N 2.85Å; L18-Y303 HydrophobicContact CB-CE1 4.02Å; L18-Y303 HydrophobicContact CD2-CE1 4.48Å; L18-Y304 HydrophobicContact CB-CD1 4.48Å; L18-Y304 HydrophobicContact CB-CE1 4.11Å; L18-Y304 HydrophobicContact CD1-CD1 3.62Å; L18-Y304 HydrophobicContact CD1-CE1 3.91Å; L18-Y307 WeakPolarHBondContact CD2-O 3.3Å; L18-A308 HydrophobicContact CD1-CB 3.95Å |
| 19 | S | 52.7 | Low | 68.9 | Low | 40 Ų | 40 | 78.5 Ų | 78.5 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 123.8 | -160.5 | 64.1 | 0 | 0 | 0 | 0 | 112 | T17 Y303 | T17-S19 PolarHBondContact O-N 3.24Å; S19-Y303 PolarHBondContact N-OH 3.17Å; S19-Y303 PolarHBondContact OG-OH 2.95Å; S19-Y303 VanDerWaalsContact OG-OH 3.09Å |
| 20 | A | 57.5 | Low | 69 | Low | 77 Ų | 77 | 76 Ų | 76 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -49 | 129.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L18 H22 | L18-A20 PolarHBondContact O-N 2.85Å; A20-H22 PolarHBondContact O-CD2 2.85Å; A20-H22 PolarHBondContact O-N 3.28Å |
| 21 | P | 64.7 | Low | 68.3 | Low | 75 Ų | 75 | 74 Ų | 74 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | trans | -59.9 | 107 | -168.5 | 20.9 | -33 | 0 | 0 | 0 | 111.4 | A288 L300 | P21-A288 HydrophobicContact CB-CB 4.09Å; P21-L300 HydrophobicContact CB-CD1 3.94Å; P21-L300 HydrophobicContact CB-CD2 3.94Å | ||
| 22 | H | 71.7 | Confident | 67.2 | Low | 88 Ų | 88 | 78.7 Ų | 78.7 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.3 | 175.4 | -70.5 | -89.3 | 0 | 0 | 0 | 109.1 | A20 A288 F289 | A20-H22 PolarHBondContact O-CD2 2.85Å; A20-H22 PolarHBondContact O-N 3.28Å; H22-A288 CarbonylContact O-C 3.51Å; H22-A288 VanDerWaalsContact O-CA 3.31Å; H22-A288 WeakPolarHBondContact O-CA 3.39Å; H22-F289 HydrophobicContact CB-CD1 4.11Å; H22-F289 HydrophobicContact CB-CD2 4.29Å; H22-F289 HydrophobicContact CB-CE1 3.62Å; H22-F289 HydrophobicContact CB-CE2 3.82Å; H22-F289 HydrophobicContact CB-CG 4.42Å; H22-F289 HydrophobicContact CB-CZ 3.45Å; H22-F289 VanDerWaalsContact CB-CZ 3.45Å; H22-F289 PolarHBondContact N-O 3.48Å; H22-F289 WeakPolarHBondContact O-CD1 3.44Å; H22-F289 PolarHBondContact O-N 3.33Å |
| 23 | R | 75 | Confident | 65.6 | Low | 200 Ų | 200 | 80.7 Ų | 80.7 | 76% | 0.755 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.9 | 175.3 | -161 | 175 | -169.6 | 169 | 4.5 | 109.1 | ||
| 24 | A | 69.3 | Low | 63.8 | Low | 8 Ų | 8 | 85 Ų | 85 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | trans | -75.2 | 133.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V26 I263 A265 F275 G285 F289 | A24-V26 PolarHBondContact O-N 3.26Å; A24-I263 HydrophobicContact CB-CG2 3.76Å; A24-A265 HydrophobicContact CB-CB 4.23Å; A24-F275 HydrophobicContact CB-CD1 4.46Å; A24-F275 HydrophobicContact CB-CE1 3.72Å; A24-F275 HydrophobicContact CB-CZ 4.15Å; A24-G285 WeakPolarHBondContact CB-O 3.41Å; A24-F289 HydrophobicContact CB-CD1 4.28Å; A24-F289 HydrophobicContact CB-CE1 3.9Å | ||
| 25 | T | 78.2 | Confident | 61.8 | Low | 85 Ų | 85 | 90.2 Ų | 90.2 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.3 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | T27 R264 | T25-T27 HydrophobicContact CG2-CG2 4.06Å; T25-R264 PolarHBondContact N-O 3.4Å; T25-R264 PolarHBondContact O-N 3.28Å |
| 26 | V | 76.8 | Confident | 59.8 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 115.3 | 173.6 | -171.2 | 0 | 0 | 0 | 0 | 109 | A24 I263 A286 | A24-V26 PolarHBondContact O-N 3.26Å; V26-I263 HydrophobicContact CB-CD1 4.34Å; V26-I263 HydrophobicContact CG1-CD1 4.1Å; V26-I263 HydrophobicContact CG2-CD1 3.66Å; V26-A286 HydrophobicContact CG2-CB 3.69Å |
| 27 | T | 77.1 | Confident | 57.7 | Low | 45 Ų | 45 | 90 Ų | 90 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.6 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 109.6 | T25 I262 R264 | T25-T27 HydrophobicContact CG2-CG2 4.06Å; T27-I262 PolarHBondContact N-O 2.9Å; T27-I262 PolarHBondContact O-N 2.88Å; T27-R264 PolarHBondContact OG1-NE 3.26Å |
| 28 | Q | 69.4 | Low | 56.4 | Low | 100 Ų | 100 | 92 Ų | 92 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 140.4 | 158.8 | -67.3 | -175.3 | 4.9 | 0 | 0 | 108.4 | Q30 Q261 | Q28-Q30 PolarHBondContact O-N 3.16Å; Q28-Q261 HydrophobicContact CG-CG 4.49Å |
| 29 | Q | 65.9 | Low | 54.9 | Low | 27 Ų | 27 | 101.7 Ų | 101.7 | 13% | 0.126 | 52% | 0.524 | C | S | . | . | trans | -67.5 | 103.9 | 177.7 | -170.7 | 175.3 | 83 | 0 | 0 | 108.7 | Q31 I258 D260 I262 | Q29-Q31 PolarHBondContact O-N 3.02Å; Q29-I258 PolarHBondContact NE2-O 2.88Å; Q29-I258 PolarHBondContact OE1-O 3.22Å; Q29-D260 PolarHBondContact N-O 2.98Å; Q29-I262 HydrophobicContact CB-CD1 3.65Å; Q29-I262 HydrophobicContact CB-CG1 4.33Å; Q29-I262 HydrophobicContact CG-CD1 3.79Å | ||
| 30 | Q | 56.3 | Low | 53.6 | Low | 174 Ų | 174 | 105.5 Ų | 105.5 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | trans | -58.3 | 104.2 | -158.9 | -175.6 | -179 | 71.9 | 0 | 0 | 113 | Q28 | Q28-Q30 PolarHBondContact O-N 3.16Š| ||
| 31 | Q | 53.7 | Low | 52.5 | Low | 46 Ų | 46 | 110.7 Ų | 110.7 | 22% | 0.215 | 56% | 0.556 | C | S | . | * | trans | -96.5 | 111.7 | 167.5 | -69.2 | -162.4 | -13.3 | 0 | 0 | 110 | Q29 Q33 P152 Y244 | Q29-Q31 PolarHBondContact O-N 3.02Å; Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.47Å; Q31-P152 VanDerWaalsContact NE2-CA 3.35Å; Q31-P152 VanDerWaalsContact OE1-CA 3.24Å; Q31-Y244 PolarHBondContact NE2-OH 2.83Å | ||
| 32 | Q | 46.2 | Very low | 50.7 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | trans | -78.3 | 79.3 | -176.6 | -164.6 | 167.4 | 46.8 | 0 | 0 | 110.1 | Q34 | Q32-Q34 PolarHBondContact O-N 2.92Š| ||
| 33 | Q | 42.9 | Very low | 48.4 | Very low | 93 Ų | 93 | 110.2 Ų | 110.2 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | trans | -57.7 | 125 | 170.5 | -70.5 | -165.4 | 20.7 | 0 | 0 | 110.1 | Q31 V153 | Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.47Å; Q33-V153 HydrophobicContact CG-CG2 4.02Å | ||
| 34 | Q | 39.8 | Very low | 46.6 | Very low | 154 Ų | 154 | 106.4 Ų | 106.4 | 72% | 0.72 | 59% | 0.59 | S | S | * | * | trans | -121.5 | 91.2 | 156 | -70 | -172.7 | 7.2 | 0 | 0 | 107.3 | Q32 | Q32-Q34 PolarHBondContact O-N 2.92Š| ||
| 35 | Q | 33.8 | Very low | 44.6 | Very low | 155 Ų | 155 | 112.4 Ų | 112.4 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | trans | -91.7 | 136.5 | 162.3 | -63.3 | -167.5 | 47 | 0 | 0 | 108.4 | ||||
| 36 | P | 35.6 | Very low | 42.3 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | trans | -69.8 | 140.8 | 176.6 | 29.6 | -34.1 | 0 | 0 | 0 | 110.7 | L38 | P36-L38 PolarHBondContact O-N 3.29Š| ||
| 37 | A | 27.2 | Very low | 39.9 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | trans | -75.8 | 84 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R39 | A37-R39 PolarHBondContact O-N 3.11Š| ||
| 38 | L | 30.3 | Very low | 37.7 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -73.3 | 115 | 165.6 | -66.9 | 176.8 | 0 | 0 | 0 | 109.5 | P36 | P36-L38 PolarHBondContact O-N 3.29Š| ||
| 39 | R | 28.9 | Very low | 35.7 | Very low | 236 Ų | 236 | 126.2 Ų | 126.2 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | trans | -130.4 | 96.2 | 179 | -93.7 | -170.4 | 161 | -159.2 | -5 | 112.2 | A37 | A37-R39 PolarHBondContact O-N 3.11Š| ||
| 40 | T | 26.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | trans | -145.8 | 145.5 | 159.3 | 59.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 41 | H | 33.2 | Very low | 32.4 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | cis | -132.2 | 173.9 | -2.2 | -52.3 | -106.2 | 0 | 0 | 0 | 107.1 | ||||
| 42 | G | 26.5 | Very low | 31.1 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | cis | 167.6 | 128.6 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 43 | G | 23.9 | Very low | 30.2 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 79.4 | 170.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 44 | P | 37.9 | Very low | 29.5 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -125 | -169.4 | -7.2 | 42.4 | -28.1 | 0 | 0 | 0 | 114.4 | ||||
| 45 | D | 26.7 | Very low | 29 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 86.9 | 122 | 155.3 | -97.4 | -76.5 | 0 | 0 | 0 | 123.7 | ||||
| 46 | R | 28.9 | Very low | 28.8 | Very low | 198 Ų | 198 | 128 Ų | 128 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | 70.5 | 108.5 | 141 | -87.7 | 170.8 | 167.1 | -144.8 | -7.6 | 124.3 | ||||
| 47 | Q | 27.7 | Very low | 28.5 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 59% | 0.589 | 77% | 0.765 | S | S | * | * | 100.1 | 131.8 | 116.2 | -90.1 | 170.6 | -46.2 | 0 | 0 | 121.7 | |||||
| 48 | H | 31.2 | Very low | 28.7 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | 85.6 | 95 | 152.8 | -55.9 | 147.4 | 0 | 0 | 0 | 121.7 | ||||
| 49 | S | 26.8 | Very low | 28.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 85.2 | 120.8 | 109.5 | -58.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 50 | A | 26.5 | Very low | 28.7 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | 84.5 | 125.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 51 | A | 27 | Very low | 28.9 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | 58.6 | 149.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 52 | G | 26.5 | Very low | 28.6 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | cis | 175.8 | 154.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 53 | D | 26.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | trans | 67 | 153.9 | 154.2 | -60.6 | -70.6 | 0 | 0 | 0 | 123.7 | ||||
| 54 | D | 27.5 | Very low | 28.8 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | 69.2 | 90 | 157.4 | -117.3 | -127.2 | 0 | 0 | 0 | 124.8 | ||||
| 55 | L | 30.6 | Very low | 28.3 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | 62.9 | 136.9 | 105.9 | -153.9 | 75.8 | 0 | 0 | 0 | 122.6 | |||||
| 56 | S | 29.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | 71.6 | 152.9 | 148.4 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 57 | S | 29.7 | Very low | 29 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | cis | -171.7 | 168.2 | -17.3 | -101.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 58 | L | 30.6 | Very low | 29.1 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | trans | 70.7 | 123.2 | 161.3 | -90.6 | 75.6 | 0 | 0 | 0 | 117.5 | ||||
| 59 | R | 29.8 | Very low | 29.2 | Very low | 209 Ų | 209 | 119.7 Ų | 119.7 | 79% | 0.789 | 69% | 0.69 | S | S | * | * | 72.4 | 141 | 76.5 | -71.6 | -169.4 | -175.3 | 170.1 | -1.9 | 113.4 | |||||
| 60 | R | 28.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 120.1 Ų | 120.1 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | cis | -168 | 155.4 | 6.4 | -130.4 | -177.8 | 172.8 | -154.8 | -3.9 | 111.2 | ||||
| 61 | R | 30.3 | Very low | 29.7 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 64% | 0.638 | 68% | 0.681 | S | S | * | * | trans | 47 | 154.9 | 141.7 | -82.6 | -172.5 | 155.7 | -94.8 | -5.4 | 120.3 | E63 | R61-E63 IonicContact CZ-OE2 2.7Å; R61-E63 IonicContact NH1-OE2 3.3Å; R61-E63 PolarHBondContact NH1-OE2 2.91Å; R61-E63 IonicContact NH2-OE2 3.3Å | ||
| 62 | A | 28 | Very low | 30.1 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 53% | 0.529 | 68% | 0.68 | S | S | . | * | cis | -171.2 | 166.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 63 | E | 28.1 | Very low | 30.4 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | 44.4 | 146.3 | 135.5 | -62.5 | 169.3 | 87 | 0 | 0 | 120.7 | R61 | R61-E63 IonicContact CZ-OE2 2.7Å; R61-E63 IonicContact NH1-OE2 3.3Å; R61-E63 PolarHBondContact NH1-OE2 2.91Å; R61-E63 IonicContact NH2-OE2 3.3Å | ||
| 64 | E | 26.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 47% | 0.467 | 67% | 0.672 | S | S | . | * | cis | -165.3 | 174.4 | 0.4 | -116.9 | -71.3 | 72.1 | 0 | 0 | 111.4 | K188 | E64-K188 IonicContact OE1-NZ 2.69Å; E64-K188 PolarHBondContact OE1-NZ 3.47Å; E64-K188 IonicContact OE2-NZ 3.74Å | ||
| 65 | T | 26.4 | Very low | 30.9 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | 53.8 | 143.8 | 154.1 | 45.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 66 | S | 31.6 | Very low | 30.8 | Very low | 47 Ų | 47 | 125 Ų | 125 | 33% | 0.329 | 68% | 0.676 | S | S | . | * | trans | -106.6 | -177.7 | 158.6 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | K196 | S66-K196 WeakPolarHBondContact OG-CB 3.08Å; S66-K196 WeakPolarHBondContact OG-CD 3.33Å; S66-K196 VanDerWaalsContact OG-CE 3.29Å; S66-K196 WeakPolarHBondContact OG-CE 3.21Å; S66-K196 WeakPolarHBondContact OG-CG 3.16Å | ||
| 67 | P | 39.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | -145.7 | -173.7 | 100.2 | 36.2 | -18.9 | 0 | 0 | 0 | 116 | K196 | P67-K196 PolarHBondContact O-NZ 3.17Å; P67-K196 VanDerWaalsContact O-NZ 3.12Å | |||
| 68 | A | 29.9 | Very low | 30.7 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | 20.4 | 149.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 69 | N | 32.3 | Very low | 32 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | cis | 70.6 | 144.9 | 40.4 | -108.9 | -19.5 | 0 | 0 | 0 | 114.1 | ||||
| 70 | T | 33.6 | Very low | 32 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | cis | -155.2 | 166.3 | 13.1 | -24.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 71 | G | 30.8 | Very low | 32 | Very low | 62 Ų | 62 | 114.5 Ų | 114.5 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | cis | 128.1 | 161.1 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 72 | R | 36.3 | Very low | 32 | Very low | 230 Ų | 230 | 116.3 Ų | 116.3 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | 85.1 | 161.6 | 175 | -53 | -178.4 | 175.6 | -164.4 | -4.1 | 116.3 | ||||
| 73 | N | 32.8 | Very low | 32 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | cis | -162.5 | 176.5 | 5.8 | -129.2 | 16.8 | 0 | 0 | 0 | 108.9 | ||||
| 74 | W | 30.3 | Very low | 32.1 | Very low | 209 Ų | 209 | 116.5 Ų | 116.5 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | cis | -169 | 170 | -14.3 | -138.4 | 4.6 | 0 | 0 | 0 | 111.5 | ||||
| 75 | T | 34.2 | Very low | 32.1 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 59.5 | 152 | 156.3 | 52.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 76 | G | 28.6 | Very low | 33.7 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | 165.9 | 167.8 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 77 | A | 29.2 | Very low | 33.6 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 99% | 0.992 | 79% | 0.785 | S | S | * | * | trans | 85.7 | 162 | 164.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 78 | G | 26.9 | Very low | 33.1 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -174.6 | -159.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 79 | P | 59.3 | Low | 33.4 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | cis | -132.4 | -170.4 | -15.4 | 43.5 | -26.5 | 0 | 0 | 0 | 114.3 | ||||
| 80 | G | 29.4 | Very low | 33.9 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 166.3 | 103.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 81 | A | 29.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 53.7 | 138.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 82 | K | 28.4 | Very low | 34.1 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 71.9 | 156.2 | 152.9 | -71.6 | -178.3 | 179 | -179.1 | 0 | 119.6 | ||||
| 83 | A | 27.9 | Very low | 34 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -172.3 | 175.6 | -22.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 84 | S | 30.8 | Very low | 34.7 | Very low | 135 Ų | 135 | 124 Ų | 124 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | 82.8 | 163.8 | 159.9 | -58.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 85 | G | 27.4 | Very low | 34.6 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -130.1 | -150.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 86 | P | 60.5 | Low | 34.3 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -113.1 | 163.3 | -144.1 | 41.2 | -36.9 | 0 | 0 | 0 | 117.3 | ||||
| 87 | Q | 29.5 | Very low | 34.3 | Very low | 186 Ų | 186 | 119.1 Ų | 119.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -170.5 | 151.7 | 148.9 | -114.6 | 176.7 | 10.1 | 0 | 0 | 117.5 | ||||
| 88 | S | 28.7 | Very low | 34.3 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 65 | 103.3 | 139.6 | -57.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 89 | Q | 34.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 48.4 | -173.6 | 114.6 | -59.3 | -166.8 | -7.7 | 0 | 0 | 121.2 | |||||
| 90 | P | 44.3 | Very low | 33 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | -130.8 | -178.9 | -78.4 | 42.3 | -27.2 | 0 | 0 | 0 | 116.4 | |||||
| 91 | R | 31.1 | Very low | 32.9 | Very low | 209 Ų | 209 | 126.3 Ų | 126.3 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -15.2 | 148.8 | 159 | -155.9 | -155.8 | -172.6 | -157.1 | 5.8 | 118.4 | ||||
| 92 | P | 37.6 | Very low | 33 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -126.6 | 161.7 | 125.9 | 38.2 | -32.4 | 0 | 0 | 0 | 114.4 | |||||
| 93 | A | 32.9 | Very low | 33.1 | Very low | 55 Ų | 55 | 125.2 Ų | 125.2 | 46% | 0.455 | 76% | 0.757 | S | S | . | * | trans | -110.4 | -174.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 94 | P | 46.9 | Very low | 33.2 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | -150.4 | 170.5 | 94.3 | 41.8 | -25.6 | 0 | 0 | 0 | 116.6 | |||||
| 95 | T | 28.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | 13.3 | 147.8 | 146.6 | 61 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 96 | G | 27.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | cis | 154.9 | 172.2 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 97 | A | 28.9 | Very low | 31.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 17 | 145.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 98 | T | 30.1 | Very low | 31.8 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | -156 | 137.8 | 39 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 99 | K | 28.3 | Very low | 31.8 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | 81.6 | 138.7 | 96.8 | -160.2 | -164.6 | 172 | -169.8 | 0 | 116.8 | |||||
| 100 | A | 29.1 | Very low | 31.7 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 79 | 151.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 101 | E | 28.5 | Very low | 31.2 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | cis | -168.6 | 173.1 | -33.7 | -141.1 | 164.2 | 109.3 | 0 | 0 | 110.1 | ||||
| 102 | V | 30.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | trans | 69.4 | 97.6 | 159.1 | 179.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 103 | Q | 30.6 | Very low | 31.2 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | 67 | 125.6 | 115.9 | -161.1 | 173.2 | 2.2 | 0 | 0 | 123.9 | |||||
| 104 | E | 30.4 | Very low | 31.7 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | trans | 56.3 | 143.7 | 150.6 | -67.3 | -91.8 | 78.5 | 0 | 0 | 119.6 | ||||
| 105 | K | 27.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 73% | 0.726 | 77% | 0.765 | S | S | * | * | cis | -159.9 | 152.2 | 25.9 | -151.4 | 168.9 | -174.4 | 78.4 | 0 | 113.7 | ||||
| 106 | S | 32.1 | Very low | 32.5 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -36.5 | 136.7 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 107 | R | 30.2 | Very low | 33.7 | Very low | 243 Ų | 243 | 137.9 Ų | 137.9 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | 171.7 | 149.8 | 131.8 | -96.2 | 166.3 | -176.1 | -153.6 | -0.4 | 108.5 | ||||
| 108 | S | 28.1 | Very low | 34.9 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -158.8 | 153 | 10.8 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 109 | S | 29.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | 57.2 | 107 | 147.2 | -168.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 110 | S | 31.2 | Very low | 36 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -106.5 | 142.3 | 147.7 | -65.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | A | 35.6 | Very low | 36.7 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -127.4 | 125.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 112 | E | 33.6 | Very low | 37.3 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 136.1 | -175.8 | -61.4 | -152.6 | 114.2 | 0 | 0 | 112 | F114 | E112-F114 HydrophobicContact CB-CD2 4.48Å; E112-F114 HydrophobicContact CB-CE2 4.21Å | ||
| 113 | F | 33.5 | Very low | 37.8 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -103.6 | 110.7 | 172.2 | -88.4 | -98.7 | 0 | 0 | 0 | 109.4 | ||||
| 114 | F | 43.2 | Very low | 38 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88 | 138 | 169.5 | -80.2 | -98.7 | 0 | 0 | 0 | 110.8 | E112 | E112-F114 HydrophobicContact CB-CD2 4.48Å; E112-F114 HydrophobicContact CB-CE2 4.21Å |
| 115 | P | 44 | Very low | 38.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 157 | 173.1 | 31.8 | -34.4 | 0 | 0 | 0 | 112.3 | ||
| 116 | P | 48.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 159 | -173.6 | 34.3 | -36.8 | 0 | 0 | 0 | 114.3 | ||
| 117 | P | 52.6 | Low | 38.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 159.6 | 177.1 | 33.7 | -36.3 | 0 | 0 | 0 | 114 | ||
| 118 | P | 54.2 | Low | 39.2 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 163.6 | 173.4 | 33.5 | -36 | 0 | 0 | 0 | 113.1 | ||
| 119 | P | 45.3 | Very low | 39.5 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86 | 153.5 | -171.8 | 34 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 120 | D | 37.8 | Very low | 39.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 151.1 | 172.6 | -68.6 | -78.1 | 0 | 0 | 0 | 114.1 | ||
| 121 | V | 42.6 | Very low | 39.9 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -131.9 | 129.8 | 165.8 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 122 | L | 41.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 154 | -178.3 | -92 | 89.2 | 0 | 0 | 0 | 113.1 | ||
| 123 | P | 42.5 | Very low | 40.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 147.4 | -177.8 | 33.5 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 124 | S | 34.3 | Very low | 41.4 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 133.7 | 163.9 | -70 | 0 | 0 | 0 | 0 | 110.4 | ||
| 125 | L | 37.3 | Very low | 41.5 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.5 | 175.7 | -67.9 | 157.8 | 0 | 0 | 0 | 111.4 | ||
| 126 | F | 31.9 | Very low | 41.2 | Very low | 210 Ų | 210 | 132.7 Ų | 132.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -150 | 156.8 | 146 | -79.1 | -63.3 | 0 | 0 | 0 | 109.8 | ||||
| 127 | S | 37 | Very low | 40.4 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 176.4 | -168.2 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | E | 38.4 | Very low | 39.6 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 69.5 | 155.9 | 162.7 | -65.9 | 152.9 | 79.6 | 0 | 0 | 116.6 | ||||
| 129 | D | 34.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | cis | -157.4 | 165.3 | -33.6 | -175.6 | -135.3 | 0 | 0 | 0 | 108.8 | ||||
| 130 | A | 37.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 65% | 0.653 | 81% | 0.808 | S | S | * | * | trans | 24.6 | 109.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 131 | A | 33.6 | Very low | 37.7 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | -166.3 | 129.1 | 126.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 132 | L | 40.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 131.1 | 167 | -69.6 | 174.2 | 0 | 0 | 0 | 110.1 | ||
| 133 | P | 46.1 | Very low | 37 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.9 | 165.7 | 31.5 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 134 | P | 46.5 | Very low | 36.5 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74 | 152.8 | -177.3 | 30.8 | -36 | 0 | 0 | 0 | 112.8 | ||
| 135 | P | 45.3 | Very low | 36.3 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 137.9 | 177 | 30.4 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 136 | P | 38 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71 | 138.2 | 167.1 | 30.4 | -33 | 0 | 0 | 0 | 110.3 | ||
| 137 | L | 31.7 | Very low | 35.9 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.6 | -179.9 | -69.5 | 169.8 | 0 | 0 | 0 | 111.9 | ||
| 138 | S | 36 | Very low | 35.7 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 131.5 | 175.4 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 139 | L | 31.8 | Very low | 35.1 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -131.6 | 143.7 | 161.9 | -86.7 | 173.3 | 0 | 0 | 0 | 110.4 | ||||
| 140 | T | 29.5 | Very low | 35 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -110 | 127.8 | -160.8 | 50 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 141 | S | 35 | Very low | 35.1 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 173.3 | 146.9 | -40.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 142 | P | 44.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | -122.3 | 137.4 | -113.4 | 19.6 | 4.4 | 0 | 0 | 0 | 113.8 | |||||
| 143 | L | 25 | Very low | 35.8 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -107.6 | 147.1 | 172.7 | -71.6 | 176.7 | 0 | 0 | 0 | 112.3 | ||||
| 144 | H | 32.1 | Very low | 36.1 | Very low | 171 Ų | 171 | 119.4 Ų | 119.4 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | trans | -48.1 | 145.9 | 179.1 | -99.5 | 53.2 | 0 | 0 | 0 | 113.1 | Q146 | H144-Q146 PolarHBondContact O-N 3.4Š| ||
| 145 | P | 30.4 | Very low | 37.2 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | trans | -65.2 | 98.9 | 158.6 | -10.4 | 26.2 | 0 | 0 | 0 | 109 | ||||
| 146 | Q | 26.6 | Very low | 38.2 | Very low | 180 Ų | 180 | 119.5 Ų | 119.5 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | trans | -75.8 | 118.5 | 159.8 | -73.7 | -170.6 | -32.2 | 0 | 0 | 107.6 | H144 P148 | H144-Q146 PolarHBondContact O-N 3.4Å; Q146-P148 VanDerWaalsContact O-CD 3.3Å; Q146-P148 WeakPolarHBondContact O-CD 3.5Å | ||
| 147 | S | 34.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | trans | -78.2 | 121.8 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 148 | P | 32.2 | Very low | 41.8 | Very low | 86 Ų | 86 | 110.6 Ų | 110.6 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | trans | -92.3 | 100.6 | 158.4 | 33.2 | -23.7 | 0 | 0 | 0 | 107.8 | Q146 Q150 | Q146-P148 VanDerWaalsContact O-CD 3.3Å; Q146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-Q150 HydrophobicContact CB-CG 4.43Å; P148-Q150 PolarHBondContact O-N 3.11Å | ||
| 149 | D | 26.7 | Very low | 43.5 | Very low | 128 Ų | 128 | 111.9 Ų | 111.9 | 68% | 0.684 | 61% | 0.605 | S | S | * | * | trans | -67.2 | 80.3 | 176.6 | -70.4 | -74.4 | 0 | 0 | 0 | 111.5 | H151 | D149-H151 PolarHBondContact O-N 2.99Å; D149-H151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | Q | 32.3 | Very low | 45.5 | Very low | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | trans | -87.4 | 61.8 | 174.6 | -61.6 | -163.5 | 36 | 0 | 0 | 110.6 | P148 | P148-Q150 HydrophobicContact CB-CG 4.43Å; P148-Q150 PolarHBondContact O-N 3.11Å | ||
| 151 | H | 38.2 | Very low | 47.6 | Very low | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | trans | -62.7 | 159.1 | 166.4 | -89.2 | -46.5 | 0 | 0 | 0 | 111.8 | D149 V153 D260 | D149-H151 PolarHBondContact O-N 2.99Å; D149-H151 VanDerWaalsContact O-N 3.13Å; H151-V153 PolarHBondContact O-N 3.3Å; H151-D260 IonicContact ND1-OD1 3.76Å | ||
| 152 | P | 41.1 | Very low | 49.1 | Very low | 54 Ų | 54 | 102.4 Ų | 102.4 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | trans | -57.6 | 127.2 | -176.6 | 18.4 | -31.2 | 0 | 0 | 0 | 113.7 | Q31 S154 | Q31-P152 VanDerWaalsContact NE2-CA 3.35Å; Q31-P152 VanDerWaalsContact OE1-CA 3.24Å; P152-S154 PolarHBondContact O-N 3.34Å | ||
| 153 | V | 48.6 | Very low | 49.6 | Very low | 57 Ų | 57 | 97.8 Ų | 97.8 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | trans | -70 | 65.1 | 169.6 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | Q33 H151 N155 | Q33-V153 HydrophobicContact CG-CG2 4.02Å; H151-V153 PolarHBondContact O-N 3.3Å; V153-N155 PolarHBondContact O-N 3.4Å | ||
| 154 | S | 53.1 | Low | 50.6 | Low | 38 Ų | 38 | 95.3 Ų | 95.3 | 27% | 0.266 | 51% | 0.514 | S | S | . | . | trans | -61.8 | 107.2 | 153.5 | 162.9 | 0 | 0 | 0 | 0 | 106.9 | P152 K156 | P152-S154 PolarHBondContact O-N 3.34Å; S154-K156 PolarHBondContact O-N 2.86Å | ||
| 155 | N | 69.9 | Low | 51.2 | Low | 39 Ų | 39 | 98.6 Ų | 98.6 | 21% | 0.209 | 52% | 0.52 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 139.2 | 173.2 | -75.3 | -32.7 | 0 | 0 | 0 | 109.1 | V153 Y231 | V153-N155 PolarHBondContact O-N 3.4Å; N155-Y231 HydrophobicContact CB-CD1 4.02Å; N155-Y231 HydrophobicContact CB-CD2 4.35Å; N155-Y231 HydrophobicContact CB-CE1 3.49Å; N155-Y231 VanDerWaalsContact CB-CE1 3.49Å; N155-Y231 HydrophobicContact CB-CE2 3.87Å; N155-Y231 HydrophobicContact CB-CG 4.42Å; N155-Y231 VanDerWaalsContact CB-CZ 3.41Å; N155-Y231 PolarHBondContact N-O 2.98Å; N155-Y231 WeakPolarHBondContact ND2-CE2 3.5Å; N155-Y231 PolarHBondContact ND2-OH 3.4Å |
| 156 | K | 64.6 | Low | 51.6 | Low | 195 Ų | 195 | 95.9 Ų | 95.9 | 85% | 0.848 | 52% | 0.515 | S | S | * | . | trans | -56.4 | 149.3 | 175.1 | -69.5 | -177.4 | -179.1 | 176.4 | 0 | 109.5 | S154 A158 | S154-K156 PolarHBondContact O-N 2.86Å; K156-A158 PolarHBondContact O-N 2.85Å | ||
| 157 | E | 72.8 | Confident | 52.2 | Low | 100 Ų | 100 | 92.7 Ų | 92.7 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | trans | -39.4 | 123.4 | -176.7 | -167.4 | -168 | 107.1 | 0 | 0 | 112.5 | K159 K229 | E157-K159 PolarHBondContact O-N 2.92Å; E157-K229 WeakPolarHBondContact CA-O 3.42Å | ||
| 158 | A | 72.7 | Confident | 52.3 | Low | 3 Ų | 3 | 98.4 Ų | 98.4 | 3% | 0.025 | 53% | 0.525 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 87.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K156 I205 F217 G228 K229 Y231 | K156-A158 PolarHBondContact O-N 2.85Å; A158-I205 HydrophobicContact CB-CG2 3.97Å; A158-F217 HydrophobicContact CB-CD1 4.14Å; A158-F217 HydrophobicContact CB-CE1 3.84Å; A158-G228 PolarHBondContact O-N 3.06Å; A158-K229 PolarHBondContact N-O 2.83Å; A158-K229 VanDerWaalsContact N-O 3.09Å; A158-Y231 HydrophobicContact CB-CD1 3.96Å; A158-Y231 HydrophobicContact CB-CE1 3.84Å |
| 159 | K | 72.8 | Confident | 52.7 | Low | 144 Ų | 144 | 102.4 Ų | 102.4 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | trans | -75.2 | 131.7 | -176.8 | -66.4 | -167.7 | 176.7 | -168.9 | 0 | 111.5 | E157 | E157-K159 PolarHBondContact O-N 2.92Š| ||
| 160 | A | 73.8 | Confident | 53.1 | Low | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P203 A204 I205 | A160-P203 HydrophobicContact CB-CB 4.19Å; A160-A204 CarbonylContact C-O 3.58Å; A160-A204 VanDerWaalsContact CA-O 3.26Å; A160-A204 WeakPolarHBondContact CA-O 3.25Å; A160-I205 HydrophobicContact CB-CG1 4.41Å |
| 161 | F | 73.3 | Confident | 53.7 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 34% | 0.342 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.9 | 173 | 70.5 | -81.9 | 0 | 0 | 0 | 110.4 | P163 A204 E206 I211 | F161-P163 HydrophobicContact CE2-CB 4.4Å; F161-P163 HydrophobicContact CE2-CG 4.09Å; F161-A204 HydrophobicContact CD1-CB 4.27Å; F161-A204 WeakPolarHBondContact CD1-O 3.37Å; F161-A204 HydrophobicContact CE1-CB 3.8Å; F161-A204 WeakPolarHBondContact CE1-O 3.36Å; F161-A204 HydrophobicContact CE2-CB 4.16Å; F161-A204 HydrophobicContact CZ-CB 3.75Å; F161-A204 PolarHBondContact N-O 3.08Å; F161-A204 PolarHBondContact O-N 3.3Å; F161-E206 HydrophobicContact CE1-CB 3.91Å; F161-I211 HydrophobicContact CZ-CD1 4.49Å |
| 162 | S | 65.4 | Low | 53.8 | Low | 77 Ų | 77 | 110.2 Ų | 110.2 | 54% | 0.538 | 57% | 0.573 | S | S | . | * | trans | -90.4 | 128.2 | 170 | -54.5 | 0 | 0 | 0 | 0 | 109 | T164 | S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 PolarHBondContact O-N 3.14Å | ||
| 163 | P | 54.9 | Low | 53.7 | Low | 25 Ų | 25 | 113.8 Ų | 113.8 | 16% | 0.162 | 59% | 0.594 | C | S | . | * | trans | -69.1 | 72.7 | 179.2 | -21.9 | 34.3 | 0 | 0 | 0 | 114.3 | F161 R165 L200 E202 A204 | F161-P163 HydrophobicContact CE2-CB 4.4Å; F161-P163 HydrophobicContact CE2-CG 4.09Å; P163-R165 PolarHBondContact O-N 3.46Å; P163-L200 HydrophobicContact CB-CD2 3.99Å; P163-E202 WeakPolarHBondContact CD-O 3.5Å; P163-A204 HydrophobicContact CG-CB 3.87Å | ||
| 164 | T | 46.7 | Very low | 53.4 | Low | 122 Ų | 122 | 119 Ų | 119 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | trans | -77.9 | 114.3 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | S162 G166 | S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 PolarHBondContact O-N 3.14Å; T164-G166 PolarHBondContact O-N 3.24Å | ||
| 165 | R | 45.1 | Very low | 52.5 | Low | 241 Ų | 241 | 121 Ų | 121 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | trans | -66.5 | 93.2 | 173.3 | 175.9 | 180 | 161.8 | -175.1 | -4.9 | 111.3 | P163 | P163-R165 PolarHBondContact O-N 3.46Š| ||
| 166 | G | 38.5 | Very low | 51.4 | Low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | -166.8 | 130.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | T164 | T164-G166 PolarHBondContact O-N 3.24Š| ||
| 167 | S | 39.7 | Very low | 50.5 | Low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -53.4 | 144.7 | -168.1 | -50.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 168 | K | 35.9 | Very low | 49.1 | Very low | 213 Ų | 213 | 131.3 Ų | 131.3 | 93% | 0.926 | 69% | 0.69 | S | S | * | * | -119.6 | 94.4 | 127.8 | -79.6 | -162.5 | 177 | -169.6 | 0 | 109.5 | |||||
| 169 | H | 39.7 | Very low | 47.6 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -147.2 | 139.3 | 155.5 | -131 | -74.7 | 0 | 0 | 0 | 106 | ||
| 170 | D | 36.5 | Very low | 46.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | -74.9 | 162.7 | -162.5 | -49.3 | -91.7 | 0 | 0 | 0 | 113 | ||||
| 171 | E | 45.4 | Very low | 45.1 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -82.2 | 168.7 | -172.5 | -164.3 | 156.8 | 73.8 | 0 | 0 | 112.8 | ||||
| 172 | E | 39.7 | Very low | 43.9 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 132.8 | -177.2 | -77.3 | -174.1 | 22.4 | 0 | 0 | 116.3 | ||||
| 173 | T | 39.6 | Very low | 43 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | -140.3 | 179.7 | 12.1 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 174 | N | 40.7 | Very low | 42.5 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -64 | 152.7 | -172.3 | -75.5 | -65.1 | 0 | 0 | 0 | 118 | ||||
| 175 | G | 34.5 | Very low | 42.4 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -168.6 | 96.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 176 | I | 47.4 | Very low | 42.8 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -68.3 | 130.5 | -168.8 | -69.4 | 170.5 | 0 | 0 | 0 | 116.5 | ||||
| 177 | H | 44.8 | Very low | 43.6 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 64.7 | 159 | 156.1 | -64.6 | 176.3 | 0 | 0 | 0 | 118.6 | ||||
| 178 | R | 43.3 | Very low | 45 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | cis | -156.8 | 146.4 | 7.3 | -142.7 | 177.2 | 164.7 | -175.5 | -6.2 | 113.2 | ||||
| 179 | N | 41.1 | Very low | 47.2 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 62.1 | 99.9 | 148.1 | -159.9 | 60.7 | 0 | 0 | 0 | 123 | ||||
| 180 | S | 49.1 | Very low | 49.6 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | 46.9 | 111.4 | 125.4 | -39.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 181 | Q | 44.9 | Very low | 52.1 | Low | 198 Ų | 198 | 129.2 Ų | 129.2 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | -173.9 | 150.3 | 110.3 | -101.8 | 175 | 5.3 | 0 | 0 | 114.7 | |||||
| 182 | D | 49.1 | Very low | 54 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | trans | -30.2 | 114.4 | 179.3 | 177.5 | 35.3 | 0 | 0 | 0 | 118.8 | ||||
| 183 | V | 47.3 | Very low | 56.3 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | -155.7 | 91.6 | 118.3 | 139.9 | 0 | 0 | 0 | 0 | 108.9 | T185 | V183-T185 HydrophobicContact CG1-CG2 4.25Å; V183-T185 PolarHBondContact O-N 2.83Å | |||
| 184 | T | 44.3 | Very low | 58.6 | Low | 122 Ų | 122 | 112.1 Ų | 112.1 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -89.1 | 79.6 | 166.6 | 49 | 0 | 0 | 0 | 0 | 109.4 | E186 | T184-E186 PolarHBondContact O-N 3.24Š| ||
| 185 | T | 44.6 | Very low | 60.9 | Low | 112 Ų | 112 | 113.8 Ų | 113.8 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | trans | -69.8 | 86.6 | 158.5 | 42.5 | 0 | 0 | 0 | 0 | 108.2 | V183 S187 | V183-T185 HydrophobicContact CG1-CG2 4.25Å; V183-T185 PolarHBondContact O-N 2.83Å; T185-S187 PolarHBondContact O-N 3.01Å | ||
| 186 | E | 52.8 | Low | 63.4 | Low | 148 Ų | 148 | 114 Ų | 114 | 69% | 0.692 | 58% | 0.581 | S | S | * | * | trans | -54.8 | 113.7 | 165.9 | -62.9 | -170.5 | 133.2 | 0 | 0 | 108.1 | T184 K188 | T184-E186 PolarHBondContact O-N 3.24Å; E186-K188 PolarHBondContact O-N 3.43Å | ||
| 187 | S | 55.5 | Low | 65.3 | Low | 110 Ų | 110 | 108.5 Ų | 108.5 | 77% | 0.769 | 56% | 0.555 | S | S | * | * | trans | -72.8 | 69.4 | 171.8 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | T185 D189 | T185-S187 PolarHBondContact O-N 3.01Å; S187-D189 PolarHBondContact O-N 2.85Å | ||
| 188 | K | 68.5 | Low | 67.1 | Low | 91 Ų | 91 | 100.9 Ų | 100.9 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | trans | -68 | 101.9 | -176.3 | -152.9 | 174 | -173.5 | 166.9 | 0 | 107.5 | E64 E186 L190 P197 | E64-K188 IonicContact OE1-NZ 2.69Å; E64-K188 PolarHBondContact OE1-NZ 3.47Å; E64-K188 IonicContact OE2-NZ 3.74Å; E186-K188 PolarHBondContact O-N 3.43Å; K188-L190 WeakPolarHBondContact O-CD2 3.38Å; K188-L190 PolarHBondContact O-N 2.92Å; K188-P197 HydrophobicContact CD-CB 3.89Å; K188-P197 HydrophobicContact CD-CG 4.46Å; K188-P197 HydrophobicContact CG-CB 3.96Å | ||
| 189 | D | 81.7 | Confident | 68.9 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 125.9 | -173 | -69.6 | -60.1 | 0 | 0 | 0 | 111 | S187 M198 I211 | S187-D189 PolarHBondContact O-N 2.85Å; D189-M198 HydrophobicContact CB-CB 4.36Å; D189-M198 HydrophobicContact CB-CG 4.24Å; D189-M198 WeakPolarHBondContact O-CB 3.49Å; D189-M198 VanDerWaalsContact O-CG 3.27Å; D189-M198 WeakPolarHBondContact O-CG 3.26Å; D189-M198 PolarHBondContact O-N 2.87Å; D189-I211 HydrophobicContact CB-CD1 3.88Å |
| 190 | L | 89.9 | Confident | 70.2 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 131 | -177.5 | -58.6 | -174.9 | 0 | 0 | 0 | 109.9 | K188 G192 P197 | K188-L190 WeakPolarHBondContact O-CD2 3.38Å; K188-L190 PolarHBondContact O-N 2.92Å; L190-G192 PolarHBondContact O-N 2.8Å; L190-P197 HydrophobicContact CD2-CB 4.11Å; L190-P197 HydrophobicContact CD2-CG 4.05Å |
| 191 | C | 89.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 123.1 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F193 C194 R195 K196 M198 I211 H213 | C191-F193 PolarHBondContact O-N 2.69Å; C191-C194 VanDerWaalsContact CB-SG 3.54Å; C191-C194 PolarHBondContact SG-SG 2.95Å; C191-R195 VanDerWaalsContact O-CA 3.24Å; C191-R195 WeakPolarHBondContact O-CA 3.36Å; C191-R195 PolarHBondContact O-N 2.88Å; C191-K196 PolarHBondContact N-O 3.3Å; C191-M198 HydrophobicContact CB-SD 3.89Å; C191-I211 CarbonylContact C-O 3.5Å; C191-I211 VanDerWaalsContact CA-O 3.32Å; C191-I211 WeakPolarHBondContact CA-O 3.27Å; C191-H213 WeakPolarHBondContact CB-CE1 3.39Å; C191-H213 WeakPolarHBondContact CB-ND1 3.41Å; C191-H213 PolarHBondContact SG-ND1 2.84Å |
| 192 | G | 85.7 | Confident | 72.7 | Confident | 14 Ų | 14 | 86.8 Ų | 86.8 | 14% | 0.144 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116 | L190 I211 Y212 | L190-G192 PolarHBondContact O-N 2.8Å; G192-I211 PolarHBondContact N-O 2.94Å; G192-Y212 VanDerWaalsContact C-CE1 3.44Å; G192-Y212 VanDerWaalsContact CA-CE1 3.47Å |
| 193 | F | 87.6 | Confident | 74.2 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 31% | 0.311 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -61 | 172 | -72.4 | -50.5 | 0 | 0 | 0 | 113.7 | C191 Y212 C216 F217 P238 | C191-F193 PolarHBondContact O-N 2.69Å; F193-Y212 HydrophobicContact CB-CD1 4.31Å; F193-Y212 HydrophobicContact CB-CE1 4.3Å; F193-Y212 HydrophobicContact CD1-CE1 4.17Å; F193-Y212 AromaticContact CD2-CD1 3.32Å; F193-Y212 HydrophobicContact CD2-CD1 3.32Å; F193-Y212 AromaticContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CG 4.45Å; F193-Y212 HydrophobicContact CE1-CE1 4.25Å; F193-Y212 AromaticContact CE2-CD1 3.72Å; F193-Y212 HydrophobicContact CE2-CD1 3.72Å; F193-Y212 AromaticContact CE2-CE1 3.31Å; F193-Y212 HydrophobicContact CE2-CE1 3.31Å; F193-Y212 AromaticContact CE2-CZ 3.99Å; F193-Y212 AromaticContact CG-CD1 3.96Å; F193-Y212 HydrophobicContact CG-CD1 3.96Å; F193-Y212 AromaticContact CG-CE1 3.65Å; F193-Y212 HydrophobicContact CG-CE1 3.65Å; F193-Y212 AromaticContact CZ-CE1 3.82Å; F193-Y212 HydrophobicContact CZ-CE1 3.82Å; F193-C216 WeakPolarHBondContact CD2-O 3.43Å; F193-F217 HydrophobicContact CE2-CD2 4.27Å; F193-P238 HydrophobicContact CE2-CG 3.96Å; F193-P238 HydrophobicContact CZ-CG 3.67Å |
| 194 | C | 88.9 | Confident | 76 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 37% | 0.365 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.2 | -173.5 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | C191 K196 H213 C216 | C191-C194 VanDerWaalsContact CB-SG 3.54Å; C191-C194 PolarHBondContact SG-SG 2.95Å; C194-K196 HydrophobicContact CB-CD 4.5Å; C194-K196 PolarHBondContact O-N 2.66Å; C194-H213 VanDerWaalsContact SG-CE1 3.57Å; C194-C216 VanDerWaalsContact SG-SG 3.66Å |
| 195 | R | 88.2 | Confident | 78 | Confident | 202 Ų | 202 | 72.8 Ų | 72.8 | 76% | 0.762 | 39% | 0.391 | S | S | * | . | trans | 55.1 | 6.7 | -177.4 | -56.7 | -168.9 | -176.5 | -160.4 | 3.6 | 116.2 | C191 | C191-R195 VanDerWaalsContact O-CA 3.24Å; C191-R195 WeakPolarHBondContact O-CA 3.36Å; C191-R195 PolarHBondContact O-N 2.88Å | ||
| 196 | K | 88.2 | Confident | 80 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 37% | 0.365 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.2 | 171.9 | -70.6 | 174.6 | 152.4 | -167.3 | 0 | 109.9 | S66 P67 C191 C194 | S66-K196 WeakPolarHBondContact OG-CB 3.08Å; S66-K196 WeakPolarHBondContact OG-CD 3.33Å; S66-K196 VanDerWaalsContact OG-CE 3.29Å; S66-K196 WeakPolarHBondContact OG-CE 3.21Å; S66-K196 WeakPolarHBondContact OG-CG 3.16Å; P67-K196 PolarHBondContact O-NZ 3.17Å; P67-K196 VanDerWaalsContact O-NZ 3.12Å; C191-K196 PolarHBondContact N-O 3.3Å; C194-K196 HydrophobicContact CB-CD 4.5Å; C194-K196 PolarHBondContact O-N 2.66Å |
| 197 | P | 86.8 | Confident | 81.5 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 135.2 | 177.3 | -16.6 | 29.7 | 0 | 0 | 0 | 111.7 | K188 L190 | K188-P197 HydrophobicContact CD-CB 3.89Å; K188-P197 HydrophobicContact CD-CG 4.46Å; K188-P197 HydrophobicContact CG-CB 3.96Å; L190-P197 HydrophobicContact CD2-CB 4.11Å; L190-P197 HydrophobicContact CD2-CG 4.05Å |
| 198 | M | 82.4 | Confident | 82.7 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 133.9 | 171.3 | -61.1 | -65.6 | -53.3 | 0 | 0 | 109.6 | D189 C191 A204 I211 H213 | D189-M198 HydrophobicContact CB-CB 4.36Å; D189-M198 HydrophobicContact CB-CG 4.24Å; D189-M198 WeakPolarHBondContact O-CB 3.49Å; D189-M198 VanDerWaalsContact O-CG 3.27Å; D189-M198 WeakPolarHBondContact O-CG 3.26Å; D189-M198 PolarHBondContact O-N 2.87Å; C191-M198 HydrophobicContact CB-SD 3.89Å; M198-A204 HydrophobicContact CE-CB 3.63Å; M198-I211 HydrophobicContact CE-CG2 3.92Å; M198-I211 HydrophobicContact CG-CG2 3.82Å; M198-I211 HydrophobicContact SD-CG2 4.02Å; M198-H213 PolarHBondContact SD-N 3.29Å |
| 199 | A | 80.4 | Confident | 83.4 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 137.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S201 E202 | A199-S201 PolarHBondContact O-N 3.42Å; A199-E202 HydrophobicContact CB-CB 4.3Å; A199-E202 HydrophobicContact CB-CG 4.01Å; A199-E202 PolarHBondContact O-N 3.05Å |
| 200 | L | 69.8 | Low | 83.7 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.2 | 177.7 | -61.1 | 174.4 | 0 | 0 | 0 | 113.7 | P163 | P163-L200 HydrophobicContact CB-CD2 3.99Š|
| 201 | S | 72.7 | Confident | 83.6 | Confident | 109 Ų | 109 | 64.6 Ų | 64.6 | 76% | 0.762 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -7.7 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | A199 | A199-S201 PolarHBondContact O-N 3.42Š|
| 202 | E | 74 | Confident | 83.6 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -101.4 | 146.7 | -175.9 | -74.4 | -174.3 | 176.3 | 0 | 0 | 112.3 | P163 A199 A204 H213 | P163-E202 WeakPolarHBondContact CD-O 3.5Å; A199-E202 HydrophobicContact CB-CB 4.3Å; A199-E202 HydrophobicContact CB-CG 4.01Å; A199-E202 PolarHBondContact O-N 3.05Å; E202-A204 PolarHBondContact O-N 3.04Å; E202-H213 IonicContact OE2-CD2 3.53Å |
| 203 | P | 79.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -65.7 | 119.1 | 176 | 26.5 | -33.1 | 0 | 0 | 0 | 111 | A160 E214 | A160-P203 HydrophobicContact CB-CB 4.19Å; P203-E214 HydrophobicContact CG-CB 4.42Å; P203-E214 WeakPolarHBondContact CG-OE2 3.41Å; P203-E214 PolarHBondContact O-N 2.78Å | ||
| 204 | A | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A160 F161 P163 M198 E202 I211 | A160-A204 CarbonylContact C-O 3.58Å; A160-A204 VanDerWaalsContact CA-O 3.26Å; A160-A204 WeakPolarHBondContact CA-O 3.25Å; F161-A204 HydrophobicContact CD1-CB 4.27Å; F161-A204 WeakPolarHBondContact CD1-O 3.37Å; F161-A204 HydrophobicContact CE1-CB 3.8Å; F161-A204 WeakPolarHBondContact CE1-O 3.36Å; F161-A204 HydrophobicContact CE2-CB 4.16Å; F161-A204 HydrophobicContact CZ-CB 3.75Å; F161-A204 PolarHBondContact N-O 3.08Å; F161-A204 PolarHBondContact O-N 3.3Å; P163-A204 HydrophobicContact CG-CB 3.87Å; M198-A204 HydrophobicContact CE-CB 3.63Å; E202-A204 PolarHBondContact O-N 3.04Å; A204-I211 HydrophobicContact CB-CG2 3.8Å |
| 205 | I | 87 | Confident | 83.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.5 | 173.2 | -67.4 | 174.3 | 0 | 0 | 0 | 108.4 | A158 A160 A207 I211 Y212 E214 F217 A227 | A158-I205 HydrophobicContact CB-CG2 3.97Å; A160-I205 HydrophobicContact CB-CG1 4.41Å; I205-A207 HydrophobicContact CG2-CB 4.28Å; I205-I211 CarbonylContact O-C 3.51Å; I205-I211 WeakPolarHBondContact O-CA 3.45Å; I205-Y212 PolarHBondContact N-O 3.09Å; I205-Y212 PolarHBondContact O-N 2.83Å; I205-E214 HydrophobicContact CD1-CB 4.43Å; I205-E214 HydrophobicContact CD1-CG 4.25Å; I205-F217 HydrophobicContact CB-CB 4.49Å; I205-F217 HydrophobicContact CD1-CB 3.88Å; I205-F217 HydrophobicContact CD1-CD1 4.33Å; I205-F217 HydrophobicContact CD1-CG 4.44Å; I205-F217 HydrophobicContact CG2-CB 4.37Å; I205-F217 HydrophobicContact CG2-CD1 3.91Å; I205-F217 HydrophobicContact CG2-CE1 4.41Å; I205-F217 HydrophobicContact CG2-CG 4.02Å; I205-A227 HydrophobicContact CD1-CB 3.54Å |
| 206 | E | 86.4 | Confident | 83.5 | Confident | 131 Ų | 131 | 58.9 Ų | 58.9 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.3 | 168.9 | -172.3 | 175.9 | -168.9 | 0 | 0 | 109.7 | F161 R210 | F161-E206 HydrophobicContact CE1-CB 3.91Å; E206-R210 WeakPolarHBondContact CA-O 3.34Å |
| 207 | A | 83.7 | Confident | 83.6 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 153.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I205 N209 R210 Y212 F217 Y231 | I205-A207 HydrophobicContact CG2-CB 4.28Å; A207-N209 PolarHBondContact O-N 2.87Å; A207-R210 PolarHBondContact N-O 3.43Å; A207-R210 CarbonylContact O-C 3.57Å; A207-R210 PolarHBondContact O-N 3.05Å; A207-Y212 HydrophobicContact CB-CD2 4.25Å; A207-Y212 HydrophobicContact CB-CE2 4.08Å; A207-Y212 WeakPolarHBondContact O-CE2 3.36Å; A207-F217 HydrophobicContact CB-CD2 4.2Å; A207-F217 HydrophobicContact CB-CE1 4.15Å; A207-F217 HydrophobicContact CB-CE2 3.45Å; A207-F217 VanDerWaalsContact CB-CE2 3.45Å; A207-F217 HydrophobicContact CB-CZ 3.42Å; A207-F217 VanDerWaalsContact CB-CZ 3.42Å; A207-Y231 HydrophobicContact CB-CE2 4.4Å; A207-Y231 VanDerWaalsContact CB-OH 3.27Å; A207-Y231 WeakPolarHBondContact CB-OH 3.37Å |
| 208 | L | 82.7 | Confident | 84 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32 | 172.7 | -48.5 | 179.8 | 0 | 0 | 0 | 114.2 | R210 Y231 N233 P238 | L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 2.71Å; L208-Y231 HydrophobicContact CD2-CE2 4.02Å; L208-Y231 HydrophobicContact CG-CE2 4.42Å; L208-N233 HydrophobicContact CD2-CB 3.76Å; L208-N233 VanDerWaalsContact CD2-CG 3.49Å; L208-P238 HydrophobicContact CD1-CB 4.46Å |
| 209 | N | 82.9 | Confident | 84.5 | Confident | 120 Ų | 120 | 55.5 Ų | 55.5 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35.8 | -171.7 | -56.8 | -9.3 | 0 | 0 | 0 | 114.2 | A207 | A207-N209 PolarHBondContact O-N 2.87Š|
| 210 | R | 86.3 | Confident | 85 | Confident | 143 Ų | 143 | 60.4 Ų | 60.4 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.7 | 176.8 | -66.8 | -171.2 | 177.9 | -177.1 | 0.3 | 111.3 | E206 A207 L208 Y212 | E206-R210 WeakPolarHBondContact CA-O 3.34Å; A207-R210 PolarHBondContact N-O 3.43Å; A207-R210 CarbonylContact O-C 3.57Å; A207-R210 PolarHBondContact O-N 3.05Å; L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 2.71Å; R210-Y212 HydrophobicContact CB-CE2 3.82Å |
| 211 | I | 88 | Confident | 86 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 145.4 | 173.2 | -61.3 | 165.6 | 0 | 0 | 0 | 109.5 | F161 D189 C191 G192 M198 A204 I205 | F161-I211 HydrophobicContact CZ-CD1 4.49Å; D189-I211 HydrophobicContact CB-CD1 3.88Å; C191-I211 CarbonylContact C-O 3.5Å; C191-I211 VanDerWaalsContact CA-O 3.32Å; C191-I211 WeakPolarHBondContact CA-O 3.27Å; G192-I211 PolarHBondContact N-O 2.94Å; M198-I211 HydrophobicContact CE-CG2 3.92Å; M198-I211 HydrophobicContact CG-CG2 3.82Å; M198-I211 HydrophobicContact SD-CG2 4.02Å; A204-I211 HydrophobicContact CB-CG2 3.8Å; I205-I211 CarbonylContact O-C 3.51Å; I205-I211 WeakPolarHBondContact O-CA 3.45Å |
| 212 | Y | 89.1 | Confident | 87 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.6 | 178.7 | -57.8 | -91 | 0 | 0 | 0 | 110.9 | G192 F193 I205 A207 R210 F217 | G192-Y212 VanDerWaalsContact C-CE1 3.44Å; G192-Y212 VanDerWaalsContact CA-CE1 3.47Å; F193-Y212 HydrophobicContact CB-CD1 4.31Å; F193-Y212 HydrophobicContact CB-CE1 4.3Å; F193-Y212 HydrophobicContact CD1-CE1 4.17Å; F193-Y212 AromaticContact CD2-CD1 3.32Å; F193-Y212 HydrophobicContact CD2-CD1 3.32Å; F193-Y212 AromaticContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CG 4.45Å; F193-Y212 HydrophobicContact CE1-CE1 4.25Å; F193-Y212 AromaticContact CE2-CD1 3.72Å; F193-Y212 HydrophobicContact CE2-CD1 3.72Å; F193-Y212 AromaticContact CE2-CE1 3.31Å; F193-Y212 HydrophobicContact CE2-CE1 3.31Å; F193-Y212 AromaticContact CE2-CZ 3.99Å; F193-Y212 AromaticContact CG-CD1 3.96Å; F193-Y212 HydrophobicContact CG-CD1 3.96Å; F193-Y212 AromaticContact CG-CE1 3.65Å; F193-Y212 HydrophobicContact CG-CE1 3.65Å; F193-Y212 AromaticContact CZ-CE1 3.82Å; F193-Y212 HydrophobicContact CZ-CE1 3.82Å; I205-Y212 PolarHBondContact N-O 3.09Å; I205-Y212 PolarHBondContact O-N 2.83Å; A207-Y212 HydrophobicContact CB-CD2 4.25Å; A207-Y212 HydrophobicContact CB-CE2 4.08Å; A207-Y212 WeakPolarHBondContact O-CE2 3.36Å; R210-Y212 HydrophobicContact CB-CE2 3.82Å; Y212-F217 HydrophobicContact CD1-CD2 4.39Å; Y212-F217 AromaticContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CE2 4.13Å; Y212-F217 HydrophobicContact CE2-CD2 4.02Å; Y212-F217 HydrophobicContact CE2-CE2 4.04Å; Y212-F217 AromaticContact CG-CD2 3.89Å; Y212-F217 HydrophobicContact CG-CD2 3.89Å |
| 213 | H | 89.1 | Confident | 87.9 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 147.3 | 163.2 | -49.7 | 96.4 | 0 | 0 | 0 | 109.6 | C191 C194 M198 E202 G215 C216 F217 | C191-H213 WeakPolarHBondContact CB-CE1 3.39Å; C191-H213 WeakPolarHBondContact CB-ND1 3.41Å; C191-H213 PolarHBondContact SG-ND1 2.84Å; C194-H213 VanDerWaalsContact SG-CE1 3.57Å; M198-H213 PolarHBondContact SD-N 3.29Å; E202-H213 IonicContact OE2-CD2 3.53Å; H213-G215 VanDerWaalsContact C-N 3.33Å; H213-G215 PolarHBondContact O-N 2.8Å; H213-C216 HydrophobicContact CB-CB 4.13Å; H213-C216 WeakPolarHBondContact O-CA 3.24Å; H213-C216 WeakPolarHBondContact O-CB 3.28Å; H213-C216 PolarHBondContact O-N 2.91Å; H213-F217 PolarHBondContact O-N 2.84Å |
| 214 | E | 85.8 | Confident | 88.5 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -48.5 | -51.1 | 177.5 | -167.6 | -173.3 | 159.7 | 0 | 0 | 112.7 | P203 I205 C216 F217 A227 | P203-E214 HydrophobicContact CG-CB 4.42Å; P203-E214 WeakPolarHBondContact CG-OE2 3.41Å; P203-E214 PolarHBondContact O-N 2.78Å; I205-E214 HydrophobicContact CD1-CB 4.43Å; I205-E214 HydrophobicContact CD1-CG 4.25Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 2.93Å; E214-F217 PolarHBondContact O-N 2.88Å; E214-A227 HydrophobicContact CG-CB 3.81Å |
| 215 | G | 85.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -73.5 | -5.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H213 | H213-G215 VanDerWaalsContact C-N 3.33Å; H213-G215 PolarHBondContact O-N 2.8Å |
| 216 | C | 88.2 | Confident | 89 | Confident | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -90.5 | -24.2 | 170.8 | -75.5 | 0 | 0 | 0 | 0 | 112.4 | F193 C194 H213 E214 Q218 | F193-C216 WeakPolarHBondContact CD2-O 3.43Å; C194-C216 VanDerWaalsContact SG-SG 3.66Å; H213-C216 HydrophobicContact CB-CB 4.13Å; H213-C216 WeakPolarHBondContact O-CA 3.24Å; H213-C216 WeakPolarHBondContact O-CB 3.28Å; H213-C216 PolarHBondContact O-N 2.91Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 2.93Å; C216-Q218 PolarHBondContact O-N 3.39Å; C216-Q218 VanDerWaalsContact O-N 3.14Å |
| 217 | F | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -89.3 | 76.1 | -177.4 | -159 | -107.3 | 0 | 0 | 0 | 111.6 | A158 F193 I205 A207 Y212 H213 E214 L226 Y231 P238 | A158-F217 HydrophobicContact CB-CD1 4.14Å; A158-F217 HydrophobicContact CB-CE1 3.84Å; F193-F217 HydrophobicContact CE2-CD2 4.27Å; I205-F217 HydrophobicContact CB-CB 4.49Å; I205-F217 HydrophobicContact CD1-CB 3.88Å; I205-F217 HydrophobicContact CD1-CD1 4.33Å; I205-F217 HydrophobicContact CD1-CG 4.44Å; I205-F217 HydrophobicContact CG2-CB 4.37Å; I205-F217 HydrophobicContact CG2-CD1 3.91Å; I205-F217 HydrophobicContact CG2-CE1 4.41Å; I205-F217 HydrophobicContact CG2-CG 4.02Å; A207-F217 HydrophobicContact CB-CD2 4.2Å; A207-F217 HydrophobicContact CB-CE1 4.15Å; A207-F217 HydrophobicContact CB-CE2 3.45Å; A207-F217 VanDerWaalsContact CB-CE2 3.45Å; A207-F217 HydrophobicContact CB-CZ 3.42Å; A207-F217 VanDerWaalsContact CB-CZ 3.42Å; Y212-F217 HydrophobicContact CD1-CD2 4.39Å; Y212-F217 AromaticContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CE2 4.13Å; Y212-F217 HydrophobicContact CE2-CD2 4.02Å; Y212-F217 HydrophobicContact CE2-CE2 4.04Å; Y212-F217 AromaticContact CG-CD2 3.89Å; Y212-F217 HydrophobicContact CG-CD2 3.89Å; H213-F217 PolarHBondContact O-N 2.84Å; E214-F217 PolarHBondContact O-N 2.88Å; F217-L226 HydrophobicContact CD1-CB 3.63Å; F217-L226 HydrophobicContact CD1-CD1 4.47Å; F217-L226 HydrophobicContact CE1-CB 3.7Å; F217-L226 HydrophobicContact CE1-CD1 4.14Å; F217-L226 WeakPolarHBondContact O-CB 3.42Å; F217-L226 PolarHBondContact O-N 2.79Å; F217-Y231 AromaticContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD2 4.19Å; F217-Y231 HydrophobicContact CE1-CE1 4.1Å; F217-Y231 HydrophobicContact CE1-CE2 4.31Å; F217-Y231 HydrophobicContact CE1-CG 4.02Å; F217-Y231 HydrophobicContact CZ-CD1 4.25Å; F217-Y231 AromaticContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CE1 4.14Å; F217-Y231 AromaticContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CG 4.06Å; F217-Y231 AromaticContact CZ-CZ 3.83Å; F217-P238 HydrophobicContact CE2-CB 4.01Å; F217-P238 HydrophobicContact CE2-CG 4.18Å; F217-P238 HydrophobicContact CZ-CB 3.95Å | ||
| 218 | Q | 93.4 | Very high | 88.9 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -122.7 | 153.7 | -177.7 | 63.7 | 179.8 | 4.7 | 0 | 0 | 111.9 | C216 R220 H223 V224 | C216-Q218 PolarHBondContact O-N 3.39Å; C216-Q218 VanDerWaalsContact O-N 3.14Å; Q218-R220 PolarHBondContact O-N 3.26Å; Q218-H223 PolarHBondContact NE2-ND1 3.18Å; Q218-H223 VanDerWaalsContact NE2-ND1 3.16Å; Q218-H223 PolarHBondContact OE1-O 2.83Å; Q218-V224 WeakPolarHBondContact CA-O 3.36Å |
| 219 | C | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -58.1 | 126.4 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | S221 C222 H223 V224 L226 C240 | C219-S221 PolarHBondContact O-N 3.01Å; C219-C222 VanDerWaalsContact CB-SG 3.58Å; C219-C222 PolarHBondContact SG-SG 2.98Å; C219-H223 VanDerWaalsContact O-CA 3.25Å; C219-H223 WeakPolarHBondContact O-CA 3.4Å; C219-H223 PolarHBondContact O-N 2.99Å; C219-V224 PolarHBondContact N-O 3.05Å; C219-L226 HydrophobicContact CB-CD1 4.42Å; C219-L226 HydrophobicContact CB-CD2 4.3Å; C219-L226 HydrophobicContact CB-CG 4.45Å; C219-C240 HydrophobicContact CB-CB 4.17Å; C219-C240 PolarHBondContact SG-N 3.2Å; C219-C240 VanDerWaalsContact SG-N 3.4Å | ||
| 220 | R | 91.6 | Very high | 89.2 | Confident | 139 Ų | 139 | 58.3 Ų | 58.3 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.8 | -177.1 | -73.1 | -63.3 | -52.4 | -165.2 | 1.3 | 115.2 | Q218 I237 P238 | Q218-R220 PolarHBondContact O-N 3.26Å; R220-I237 HydrophobicContact CB-CG2 3.52Å; R220-I237 HydrophobicContact CG-CG2 3.8Å; R220-P238 HydrophobicContact CG-CG 4.34Å; R220-P238 PolarHBondContact N-O 2.9Å; R220-P238 VanDerWaalsContact N-O 3.08Å |
| 221 | S | 91.3 | Very high | 89.3 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -29.8 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | C219 L239 | C219-S221 PolarHBondContact O-N 3.01Å; S221-L239 WeakPolarHBondContact OG-CD2 3.48Å |
| 222 | C | 93.6 | Very high | 89.3 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 3.1 | -174.5 | 69 | 0 | 0 | 0 | 0 | 114.8 | C219 V224 | C219-C222 VanDerWaalsContact CB-SG 3.58Å; C219-C222 PolarHBondContact SG-SG 2.98Å; C222-V224 PolarHBondContact O-N 3.24Å |
| 223 | H | 92.6 | Very high | 89.3 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | trans | 58.1 | 10.4 | 177.6 | -58.5 | -79 | 0 | 0 | 0 | 116.4 | Q218 C219 P225 | Q218-H223 PolarHBondContact NE2-ND1 3.18Å; Q218-H223 VanDerWaalsContact NE2-ND1 3.16Å; Q218-H223 PolarHBondContact OE1-O 2.83Å; C219-H223 VanDerWaalsContact O-CA 3.25Å; C219-H223 WeakPolarHBondContact O-CA 3.4Å; C219-H223 PolarHBondContact O-N 2.99Å; H223-P225 WeakPolarHBondContact O-CD 3.36Å | ||
| 224 | V | 92.4 | Very high | 89 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -65.1 | 128.8 | 171.9 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | Q218 C219 C222 | Q218-V224 WeakPolarHBondContact CA-O 3.36Å; C219-V224 PolarHBondContact N-O 3.05Å; C222-V224 PolarHBondContact O-N 3.24Å | ||
| 225 | P | 90.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -59.3 | 136 | 174 | -25.6 | 34.9 | 0 | 0 | 0 | 112.1 | H223 K229 | H223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-K229 PolarHBondContact O-NZ 3.33Å |
| 226 | L | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -101.1 | -5.7 | -178.4 | -62.8 | 171.7 | 0 | 0 | 0 | 113 | F217 C219 G228 K229 P238 C240 | F217-L226 HydrophobicContact CD1-CB 3.63Å; F217-L226 HydrophobicContact CD1-CD1 4.47Å; F217-L226 HydrophobicContact CE1-CB 3.7Å; F217-L226 HydrophobicContact CE1-CD1 4.14Å; F217-L226 WeakPolarHBondContact O-CB 3.42Å; F217-L226 PolarHBondContact O-N 2.79Å; C219-L226 HydrophobicContact CB-CD1 4.42Å; C219-L226 HydrophobicContact CB-CD2 4.3Å; C219-L226 HydrophobicContact CB-CG 4.45Å; L226-G228 PolarHBondContact O-N 2.95Å; L226-K229 PolarHBondContact O-N 3.31Å; L226-K229 VanDerWaalsContact O-N 3.11Å; L226-P238 HydrophobicContact CD1-CB 3.76Å; L226-P238 HydrophobicContact CD1-CG 4.48Å; L226-C240 HydrophobicContact CD2-CB 3.69Å | ||
| 227 | A | 86.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -49.3 | 131.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | I205 E214 K229 | I205-A227 HydrophobicContact CD1-CB 3.54Å; E214-A227 HydrophobicContact CG-CB 3.81Å; A227-K229 PolarHBondContact O-N 3.49Å |
| 228 | G | 82.8 | Confident | 88.5 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 23.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A158 L226 | A158-G228 PolarHBondContact O-N 3.06Å; L226-G228 PolarHBondContact O-N 2.95Å |
| 229 | K | 85.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -136 | 160.6 | 178.8 | -61.9 | 174.4 | -165.5 | 158 | 0 | 111.7 | E157 A158 P225 L226 A227 | E157-K229 WeakPolarHBondContact CA-O 3.42Å; A158-K229 PolarHBondContact N-O 2.83Å; A158-K229 VanDerWaalsContact N-O 3.09Å; P225-K229 PolarHBondContact O-NZ 3.33Å; L226-K229 PolarHBondContact O-N 3.31Å; L226-K229 VanDerWaalsContact O-N 3.11Å; A227-K229 PolarHBondContact O-N 3.49Å |
| 230 | Q | 85.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 57 Ų | 57 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | trans | -67.1 | 147.3 | 163.3 | -69.8 | -179 | -6.7 | 0 | 0 | 110.3 | ||||
| 231 | Y | 88.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -148.1 | 155.8 | 177.9 | 71.8 | -82 | 0 | 0 | 0 | 110.8 | N155 A158 A207 L208 F217 P238 L239 | N155-Y231 HydrophobicContact CB-CD1 4.02Å; N155-Y231 HydrophobicContact CB-CD2 4.35Å; N155-Y231 HydrophobicContact CB-CE1 3.49Å; N155-Y231 VanDerWaalsContact CB-CE1 3.49Å; N155-Y231 HydrophobicContact CB-CE2 3.87Å; N155-Y231 HydrophobicContact CB-CG 4.42Å; N155-Y231 VanDerWaalsContact CB-CZ 3.41Å; N155-Y231 PolarHBondContact N-O 2.98Å; N155-Y231 WeakPolarHBondContact ND2-CE2 3.5Å; N155-Y231 PolarHBondContact ND2-OH 3.4Å; A158-Y231 HydrophobicContact CB-CD1 3.96Å; A158-Y231 HydrophobicContact CB-CE1 3.84Å; A207-Y231 HydrophobicContact CB-CE2 4.4Å; A207-Y231 VanDerWaalsContact CB-OH 3.27Å; A207-Y231 WeakPolarHBondContact CB-OH 3.37Å; L208-Y231 HydrophobicContact CD2-CE2 4.02Å; L208-Y231 HydrophobicContact CG-CE2 4.42Å; F217-Y231 AromaticContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD2 4.19Å; F217-Y231 HydrophobicContact CE1-CE1 4.1Å; F217-Y231 HydrophobicContact CE1-CE2 4.31Å; F217-Y231 HydrophobicContact CE1-CG 4.02Å; F217-Y231 HydrophobicContact CZ-CD1 4.25Å; F217-Y231 AromaticContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CE1 4.14Å; F217-Y231 AromaticContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CG 4.06Å; F217-Y231 AromaticContact CZ-CZ 3.83Å; Y231-P238 HydrophobicContact CD2-CB 4.31Å; Y231-L239 WeakPolarHBondContact CA-O 3.36Å |
| 232 | Y | 88.5 | Confident | 87.9 | Confident | 23 Ų | 23 | 53 Ų | 53 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.8 | -178.9 | -62.5 | -92.8 | 0 | 0 | 0 | 110.2 | P238 L239 E241 Y244 | Y232-P238 WeakPolarHBondContact O-CA 3.27Å; Y232-L239 PolarHBondContact N-O 3.18Å; Y232-L239 PolarHBondContact O-N 2.95Å; Y232-E241 HydrophobicContact CE2-CB 3.86Å; Y232-E241 HydrophobicContact CE2-CG 4.02Å; Y232-Y244 VanDerWaalsContact CB-CG 3.49Å; Y232-Y244 AromaticContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD2 4.4Å; Y232-Y244 AromaticContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE2 4.42Å; Y232-Y244 AromaticContact CD1-CG 3.91Å; Y232-Y244 HydrophobicContact CD1-CG 3.91Å; Y232-Y244 AromaticContact CD1-CZ 3.95Å; Y232-Y244 AromaticContact CD2-CD1 3.78Å; Y232-Y244 HydrophobicContact CD2-CD1 3.78Å; Y232-Y244 AromaticContact CD2-CG 3.89Å; Y232-Y244 HydrophobicContact CD2-CG 3.89Å; Y232-Y244 AromaticContact CE1-CD1 3.74Å; Y232-Y244 HydrophobicContact CE1-CD1 3.74Å; Y232-Y244 AromaticContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE2-CD1 4.13Å; Y232-Y244 AromaticContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD2 4.05Å; Y232-Y244 AromaticContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE2 4.49Å; Y232-Y244 AromaticContact CG-CG 3.47Å; Y232-Y244 HydrophobicContact CG-CG 3.47Å; Y232-Y244 VanDerWaalsContact CG-CG 3.47Å |
| 233 | N | 88 | Confident | 87.6 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.4 | -179.7 | 177.9 | 22.1 | 0 | 0 | 0 | 110.5 | L208 G236 | L208-N233 HydrophobicContact CD2-CB 3.76Å; L208-N233 VanDerWaalsContact CD2-CG 3.49Å; N233-G236 WeakPolarHBondContact OD1-CA 3.15Å; N233-G236 PolarHBondContact OD1-N 2.75Å |
| 234 | K | 83.4 | Confident | 87.4 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 100.6 | 172.8 | -157.3 | 171.9 | -165.9 | 174.3 | 0 | 108.6 | G236 I237 L239 S247 | K234-G236 VanDerWaalsContact C-N 3.32Å; K234-G236 PolarHBondContact O-N 2.88Å; K234-I237 PolarHBondContact N-O 3.46Å; K234-I237 WeakPolarHBondContact O-CB 3.42Å; K234-I237 WeakPolarHBondContact O-CG1 3.44Å; K234-I237 PolarHBondContact O-N 2.7Å; K234-L239 HydrophobicContact CB-CD1 4.15Å; K234-L239 HydrophobicContact CD-CD1 4.32Å; K234-S247 VanDerWaalsContact NZ-CB 3.34Å; K234-S247 PolarHBondContact NZ-O 3.12Å; K234-S247 PolarHBondContact NZ-OG 3.47Å |
| 235 | A | 82.8 | Confident | 87 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 66% | 0.661 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 236 | G | 82.9 | Confident | 86.7 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 0.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N233 K234 P238 | N233-G236 WeakPolarHBondContact OD1-CA 3.15Å; N233-G236 PolarHBondContact OD1-N 2.75Å; K234-G236 VanDerWaalsContact C-N 3.32Å; K234-G236 PolarHBondContact O-N 2.88Å; G236-P238 WeakPolarHBondContact O-CD 3.45Å |
| 237 | I | 86.2 | Confident | 86.4 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.5 | 177.9 | -54.4 | 179.1 | 0 | 0 | 0 | 109 | R220 K234 L239 | R220-I237 HydrophobicContact CB-CG2 3.52Å; R220-I237 HydrophobicContact CG-CG2 3.8Å; K234-I237 PolarHBondContact N-O 3.46Å; K234-I237 WeakPolarHBondContact O-CB 3.42Å; K234-I237 WeakPolarHBondContact O-CG1 3.44Å; K234-I237 PolarHBondContact O-N 2.7Å; I237-L239 HydrophobicContact CG2-CD2 4.08Å; I237-L239 HydrophobicContact CG2-CG 4.45Å |
| 238 | P | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130 | 174.9 | 32.3 | -34.8 | 0 | 0 | 0 | 110.9 | F193 L208 F217 R220 L226 Y231 Y232 G236 | F193-P238 HydrophobicContact CE2-CG 3.96Å; F193-P238 HydrophobicContact CZ-CG 3.67Å; L208-P238 HydrophobicContact CD1-CB 4.46Å; F217-P238 HydrophobicContact CE2-CB 4.01Å; F217-P238 HydrophobicContact CE2-CG 4.18Å; F217-P238 HydrophobicContact CZ-CB 3.95Å; R220-P238 HydrophobicContact CG-CG 4.34Å; R220-P238 PolarHBondContact N-O 2.9Å; R220-P238 VanDerWaalsContact N-O 3.08Å; L226-P238 HydrophobicContact CD1-CB 3.76Å; L226-P238 HydrophobicContact CD1-CG 4.48Å; Y231-P238 HydrophobicContact CD2-CB 4.31Å; Y232-P238 WeakPolarHBondContact O-CA 3.27Å; G236-P238 WeakPolarHBondContact O-CD 3.45Å |
| 239 | L | 90.8 | Very high | 86.5 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.3 | 179.2 | -60.2 | 176.8 | 0 | 0 | 0 | 110.1 | S221 Y231 Y232 K234 I237 Y244 | S221-L239 WeakPolarHBondContact OG-CD2 3.48Å; Y231-L239 WeakPolarHBondContact CA-O 3.36Å; Y232-L239 PolarHBondContact N-O 3.18Å; Y232-L239 PolarHBondContact O-N 2.95Å; K234-L239 HydrophobicContact CB-CD1 4.15Å; K234-L239 HydrophobicContact CD-CD1 4.32Å; I237-L239 HydrophobicContact CG2-CD2 4.08Å; I237-L239 HydrophobicContact CG2-CG 4.45Å; L239-Y244 HydrophobicContact CD1-CD2 4.49Å |
| 240 | C | 90.3 | Very high | 86.7 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | trans | -73.6 | 160.7 | 163 | 65.4 | 0 | 0 | 0 | 0 | 110 | C219 L226 G242 C243 Y244 | C219-C240 HydrophobicContact CB-CB 4.17Å; C219-C240 PolarHBondContact SG-N 3.2Å; C219-C240 VanDerWaalsContact SG-N 3.4Å; L226-C240 HydrophobicContact CD2-CB 3.69Å; C240-G242 PolarHBondContact O-N 2.76Å; C240-C243 PolarHBondContact O-N 3.3Å; C240-C243 VanDerWaalsContact O-N 3.11Å; C240-C243 VanDerWaalsContact SG-SG 3.61Å; C240-Y244 PolarHBondContact O-N 3.45Å | ||
| 241 | E | 87.4 | Confident | 86.9 | Confident | 93 Ų | 93 | 48.1 Ų | 48.1 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -48.1 | -54.5 | -179 | -175.5 | 177.4 | -164.5 | 0 | 0 | 113.7 | Y232 C243 Y244 Q245 | Y232-E241 HydrophobicContact CE2-CB 3.86Å; Y232-E241 HydrophobicContact CE2-CG 4.02Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3Å; E241-Y244 WeakPolarHBondContact O-CA 3.39Å; E241-Y244 WeakPolarHBondContact O-CB 3.18Å; E241-Y244 PolarHBondContact O-N 2.73Å; E241-Q245 HydrophobicContact CG-CG 4.37Å; E241-Q245 WeakPolarHBondContact O-CB 3.35Å; E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3Å; E241-Q245 PolarHBondContact OE1-NE2 3.12Å |
| 242 | G | 87.1 | Confident | 87 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C240 A246 | C240-G242 PolarHBondContact O-N 2.76Å; G242-A246 WeakPolarHBondContact O-CB 3.11Å; G242-A246 PolarHBondContact O-N 2.7Å |
| 243 | C | 87.6 | Confident | 87 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.9 | -24.1 | 174.7 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | C240 E241 S247 | C240-C243 PolarHBondContact O-N 3.3Å; C240-C243 VanDerWaalsContact O-N 3.11Å; C240-C243 VanDerWaalsContact SG-SG 3.61Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3Å; C243-S247 WeakPolarHBondContact O-CB 3.1Å |
| 244 | Y | 87.6 | Confident | 87.2 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.7 | -53.9 | 170.2 | 177.1 | -114.8 | 0 | 0 | 0 | 110.1 | Q31 Y232 L239 C240 E241 A246 S247 L248 | Q31-Y244 PolarHBondContact NE2-OH 2.83Å; Y232-Y244 VanDerWaalsContact CB-CG 3.49Å; Y232-Y244 AromaticContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD2 4.4Å; Y232-Y244 AromaticContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE2 4.42Å; Y232-Y244 AromaticContact CD1-CG 3.91Å; Y232-Y244 HydrophobicContact CD1-CG 3.91Å; Y232-Y244 AromaticContact CD1-CZ 3.95Å; Y232-Y244 AromaticContact CD2-CD1 3.78Å; Y232-Y244 HydrophobicContact CD2-CD1 3.78Å; Y232-Y244 AromaticContact CD2-CG 3.89Å; Y232-Y244 HydrophobicContact CD2-CG 3.89Å; Y232-Y244 AromaticContact CE1-CD1 3.74Å; Y232-Y244 HydrophobicContact CE1-CD1 3.74Å; Y232-Y244 AromaticContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE2-CD1 4.13Å; Y232-Y244 AromaticContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD2 4.05Å; Y232-Y244 AromaticContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE2 4.49Å; Y232-Y244 AromaticContact CG-CG 3.47Å; Y232-Y244 HydrophobicContact CG-CG 3.47Å; Y232-Y244 VanDerWaalsContact CG-CG 3.47Å; L239-Y244 HydrophobicContact CD1-CD2 4.49Å; C240-Y244 PolarHBondContact O-N 3.45Å; E241-Y244 WeakPolarHBondContact O-CA 3.39Å; E241-Y244 WeakPolarHBondContact O-CB 3.18Å; E241-Y244 PolarHBondContact O-N 2.73Å; Y244-A246 PolarHBondContact O-N 3.36Å; Y244-S247 CarbonylContact O-C 3.56Å; Y244-S247 WeakPolarHBondContact O-CA 3.5Å; Y244-S247 WeakPolarHBondContact O-CB 3.39Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 PolarHBondContact O-OG 2.85Å; Y244-L248 HydrophobicContact CD1-CD1 4.39Å; Y244-L248 HydrophobicContact CD2-CD2 4.31Å; Y244-L248 HydrophobicContact CE1-CD1 4.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.26Å; Y244-L248 HydrophobicContact CE2-CD2 3.88Å; Y244-L248 WeakPolarHBondContact O-CG 3.32Å; Y244-L248 PolarHBondContact O-N 3.37Å |
| 245 | Q | 85.3 | Confident | 87.4 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.1 | -48.2 | 175.5 | -74.8 | 178.1 | 3.7 | 0 | 0 | 112.1 | E241 S247 L248 I257 | E241-Q245 HydrophobicContact CG-CG 4.37Å; E241-Q245 WeakPolarHBondContact O-CB 3.35Å; E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3Å; E241-Q245 PolarHBondContact OE1-NE2 3.12Å; Q245-S247 PolarHBondContact O-N 3.32Å; Q245-L248 WeakPolarHBondContact O-CB 3.35Å; Q245-L248 PolarHBondContact O-N 3.46Å; Q245-I257 HydrophobicContact CB-CD1 3.87Å; Q245-I257 HydrophobicContact CG-CD1 4.47Å |
| 246 | A | 84 | Confident | 87.7 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 74% | 0.744 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -1.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G242 Y244 | G242-A246 WeakPolarHBondContact O-CB 3.11Å; G242-A246 PolarHBondContact O-N 2.7Å; Y244-A246 PolarHBondContact O-N 3.36Å |
| 247 | S | 83.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 7 | 173.6 | 86 | 0 | 0 | 0 | 0 | 113.4 | K234 C243 Y244 Q245 | K234-S247 VanDerWaalsContact NZ-CB 3.34Å; K234-S247 PolarHBondContact NZ-O 3.12Å; K234-S247 PolarHBondContact NZ-OG 3.47Å; C243-S247 WeakPolarHBondContact O-CB 3.1Å; Y244-S247 CarbonylContact O-C 3.56Å; Y244-S247 WeakPolarHBondContact O-CA 3.5Å; Y244-S247 WeakPolarHBondContact O-CB 3.39Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 PolarHBondContact O-OG 2.85Å; Q245-S247 PolarHBondContact O-N 3.32Å |
| 248 | L | 84.9 | Confident | 87.9 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.5 | 164.1 | 175.3 | -54.9 | -168.4 | 0 | 0 | 0 | 110.3 | Y244 Q245 I257 | Y244-L248 HydrophobicContact CD1-CD1 4.39Å; Y244-L248 HydrophobicContact CD2-CD2 4.31Å; Y244-L248 HydrophobicContact CE1-CD1 4.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.26Å; Y244-L248 HydrophobicContact CE2-CD2 3.88Å; Y244-L248 WeakPolarHBondContact O-CG 3.32Å; Y244-L248 PolarHBondContact O-N 3.37Å; Q245-L248 WeakPolarHBondContact O-CB 3.35Å; Q245-L248 PolarHBondContact O-N 3.46Å; L248-I257 HydrophobicContact CB-CG2 3.63Å; L248-I257 HydrophobicContact CD1-CG2 3.73Å; L248-I257 HydrophobicContact CG-CG2 4.24Å |
| 249 | E | 87 | Confident | 87.5 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 143.8 | -179.9 | -68.3 | 169.4 | 151.5 | 0 | 0 | 111.1 | I258 I262 R264 T269 | E249-I258 PolarHBondContact O-N 3.06Å; E249-I262 WeakPolarHBondContact OE2-CD1 3.35Å; E249-R264 IonicContact OE1-CZ 3.6Å; E249-R264 IonicContact OE1-NH1 3.4Å; E249-R264 PolarHBondContact OE1-NH1 2.94Å; E249-R264 IonicContact OE1-NH2 3.85Å; E249-R264 PolarHBondContact OE1-NH2 3.2Å; E249-R264 IonicContact OE2-CZ 3.33Å; E249-R264 VanDerWaalsContact OE2-CZ 3.3Å; E249-R264 IonicContact OE2-NH1 2.73Å; E249-R264 PolarHBondContact OE2-NH1 3.19Å; E249-R264 IonicContact OE2-NH2 3Å; E249-R264 PolarHBondContact OE2-NH2 3.16Å; E249-T269 HydrophobicContact CB-CG2 4.24Å; E249-T269 HydrophobicContact CG-CG2 4.45Å |
| 250 | L | 90.1 | Very high | 86.9 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -88 | 150.6 | 174.6 | -55.9 | -178 | 0 | 0 | 0 | 110.5 | E256 I257 T269 | L250-E256 CarbonylContact C-O 3.54Å; L250-E256 WeakPolarHBondContact CA-O 3.16Å; L250-I257 HydrophobicContact CD2-CB 4.35Å; L250-I257 HydrophobicContact CD2-CG1 3.51Å; L250-T269 PolarHBondContact O-OG1 2.86Å |
| 251 | C | 90.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 129.9 | 168.9 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | T253 G255 E256 I258 T269 H271 C274 | C251-T253 VanDerWaalsContact C-N 3.27Å; C251-T253 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact SG-N 2.85Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.33Å; C251-G255 PolarHBondContact O-N 3.28Å; C251-E256 PolarHBondContact N-O 3.16Å; C251-I258 HydrophobicContact CB-CD1 4.15Å; C251-I258 HydrophobicContact CB-CG1 3.9Å; C251-T269 CarbonylContact C-O 3.53Å; C251-T269 WeakPolarHBondContact CA-O 3.34Å; C251-H271 WeakPolarHBondContact CB-CE1 3.14Å; C251-H271 WeakPolarHBondContact CB-ND1 3.37Å; C251-H271 PolarHBondContact SG-ND1 2.87Å; C251-C274 VanDerWaalsContact SG-CB 3.58Å |
| 252 | W | 89.8 | Confident | 86.6 | Confident | 155 Ų | 155 | 59.6 Ų | 59.6 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.7 | 179.1 | -174.7 | -86.8 | 0 | 0 | 0 | 113.4 | R268 T269 Y270 | W252-R268 HydrophobicContact CB-CB 4.41Å; W252-R268 HydrophobicContact CD2-CG 4.17Å; W252-R268 VanDerWaalsContact CE2-CZ 3.42Å; W252-R268 HydrophobicContact CE3-CG 4Å; W252-R268 HydrophobicContact CG-CG 4.41Å; W252-R268 VanDerWaalsContact CZ2-CZ 3.43Å; W252-T269 PolarHBondContact N-O 3.18Å; W252-Y270 HydrophobicContact CB-CD1 4.21Å; W252-Y270 HydrophobicContact CB-CE1 3.81Å; W252-Y270 HydrophobicContact CG-CE1 4.35Å |
| 253 | T | 89.1 | Confident | 86.6 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -40.9 | -174.7 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | C251 Y270 C274 | C251-T253 VanDerWaalsContact C-N 3.27Å; C251-T253 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact SG-N 2.85Å; T253-Y270 WeakPolarHBondContact OG1-CD1 3.46Å; T253-C274 HydrophobicContact CG2-CB 4.35Å; T253-C274 PolarHBondContact OG1-O 2.92Å; T253-C274 VanDerWaalsContact OG1-O 3.12Å |
| 254 | C | 90.7 | Very high | 86.8 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -13.5 | -176 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | E256 H271 | C254-E256 HydrophobicContact CB-CG 4.44Å; C254-E256 PolarHBondContact O-N 2.91Å; C254-H271 VanDerWaalsContact SG-CE1 3.54Å |
| 255 | G | 88.5 | Confident | 86.7 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | trans | 76.4 | -5.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C251 | C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.33Å; C251-G255 PolarHBondContact O-N 3.28Å | ||
| 256 | E | 88.7 | Confident | 86.7 | Confident | 132 Ų | 132 | 58.3 Ų | 58.3 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 158.8 | 179.8 | -58.6 | -174.4 | 152.3 | 0 | 0 | 112.4 | L250 C251 C254 | L250-E256 CarbonylContact C-O 3.54Å; L250-E256 WeakPolarHBondContact CA-O 3.16Å; C251-E256 PolarHBondContact N-O 3.16Å; C254-E256 HydrophobicContact CB-CG 4.44Å; C254-E256 PolarHBondContact O-N 2.91Å |
| 257 | I | 87 | Confident | 86.7 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 137.7 | 178.2 | -66 | 167.5 | 0 | 0 | 0 | 110.6 | Q245 L248 L250 T259 H271 | Q245-I257 HydrophobicContact CB-CD1 3.87Å; Q245-I257 HydrophobicContact CG-CD1 4.47Å; L248-I257 HydrophobicContact CB-CG2 3.63Å; L248-I257 HydrophobicContact CD1-CG2 3.73Å; L248-I257 HydrophobicContact CG-CG2 4.24Å; L250-I257 HydrophobicContact CD2-CB 4.35Å; L250-I257 HydrophobicContact CD2-CG1 3.51Å; I257-T259 HydrophobicContact CG2-CG2 4.32Å; I257-H271 PolarHBondContact O-NE2 2.89Å |
| 258 | I | 87.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 119.5 | 169.4 | -52 | 168.1 | 0 | 0 | 0 | 108.2 | Q29 E249 C251 Q261 I262 | Q29-I258 PolarHBondContact NE2-O 2.88Å; Q29-I258 PolarHBondContact OE1-O 3.22Å; E249-I258 PolarHBondContact O-N 3.06Å; C251-I258 HydrophobicContact CB-CD1 4.15Å; C251-I258 HydrophobicContact CB-CG1 3.9Å; I258-Q261 WeakPolarHBondContact CG2-O 3.35Å; I258-I262 HydrophobicContact CB-CG1 4.1Å; I258-I262 HydrophobicContact CD1-CG1 4.29Å; I258-I262 HydrophobicContact CD1-CG2 4.12Å; I258-I262 HydrophobicContact CG2-CB 4.33Å; I258-I262 HydrophobicContact CG2-CG1 3.53Å |
| 259 | T | 80.6 | Confident | 87.2 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | trans | -99.8 | -28 | -174.9 | 41.2 | 0 | 0 | 0 | 0 | 114.8 | I257 | I257-T259 HydrophobicContact CG2-CG2 4.32Š| ||
| 260 | D | 77.3 | Confident | 87.4 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.353 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -124 | -79.5 | -166.7 | -52.4 | -94.4 | 0 | 0 | 0 | 111.9 | Q29 H151 | Q29-D260 PolarHBondContact N-O 2.98Å; H151-D260 IonicContact ND1-OD1 3.76Å |
| 261 | Q | 83.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130 | 179.1 | -63.2 | -176.2 | 16.1 | 0 | 0 | 110.9 | Q28 I258 P272 | Q28-Q261 HydrophobicContact CG-CG 4.49Å; I258-Q261 WeakPolarHBondContact CG2-O 3.35Å; Q261-P272 HydrophobicContact CB-CG 3.77Å; Q261-P272 WeakPolarHBondContact O-CD 3.48Å |
| 262 | I | 87.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | 175.4 | -57.1 | 150.8 | 0 | 0 | 0 | 108.6 | T27 Q29 E249 I258 R264 T269 | T27-I262 PolarHBondContact N-O 2.9Å; T27-I262 PolarHBondContact O-N 2.88Å; Q29-I262 HydrophobicContact CB-CD1 3.65Å; Q29-I262 HydrophobicContact CB-CG1 4.33Å; Q29-I262 HydrophobicContact CG-CD1 3.79Å; E249-I262 WeakPolarHBondContact OE2-CD1 3.35Å; I258-I262 HydrophobicContact CB-CG1 4.1Å; I258-I262 HydrophobicContact CD1-CG1 4.29Å; I258-I262 HydrophobicContact CD1-CG2 4.12Å; I258-I262 HydrophobicContact CG2-CB 4.33Å; I258-I262 HydrophobicContact CG2-CG1 3.53Å; I262-R264 HydrophobicContact CG2-CG 3.95Å; I262-T269 HydrophobicContact CG2-CG2 3.83Å |
| 263 | I | 88.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124 | 161.8 | -51.6 | -59.3 | 0 | 0 | 0 | 107.7 | A24 V26 A265 T269 Y270 P272 F275 | A24-I263 HydrophobicContact CB-CG2 3.76Å; V26-I263 HydrophobicContact CB-CD1 4.34Å; V26-I263 HydrophobicContact CG1-CD1 4.1Å; V26-I263 HydrophobicContact CG2-CD1 3.66Å; I263-A265 HydrophobicContact CG2-CB 4.46Å; I263-T269 WeakPolarHBondContact O-CA 3.44Å; I263-Y270 PolarHBondContact N-O 3.49Å; I263-Y270 PolarHBondContact O-N 2.83Å; I263-P272 HydrophobicContact CD1-CB 4.18Å; I263-P272 HydrophobicContact CD1-CG 4.07Å; I263-P272 HydrophobicContact CG1-CB 4.26Å; I263-P272 HydrophobicContact CG1-CG 4.16Å; I263-F275 HydrophobicContact CB-CB 4.39Å; I263-F275 HydrophobicContact CB-CG 4.43Å; I263-F275 HydrophobicContact CG1-CB 4.18Å; I263-F275 HydrophobicContact CG2-CB 4.16Å; I263-F275 HydrophobicContact CG2-CD1 3.63Å; I263-F275 HydrophobicContact CG2-CD2 4.09Å; I263-F275 HydrophobicContact CG2-CE1 4.03Å; I263-F275 HydrophobicContact CG2-CE2 4.45Å; I263-F275 HydrophobicContact CG2-CG 3.69Å; I263-F275 HydrophobicContact CG2-CZ 4.43Å |
| 264 | R | 90.1 | Very high | 87.4 | Confident | 97 Ų | 97 | 55 Ų | 55 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.9 | 169.8 | -62 | -175.1 | -172.7 | -86.8 | -4.1 | 110 | T25 T27 E249 I262 R268 T269 | T25-R264 PolarHBondContact N-O 3.4Å; T25-R264 PolarHBondContact O-N 3.28Å; T27-R264 PolarHBondContact OG1-NE 3.26Å; E249-R264 IonicContact OE1-CZ 3.6Å; E249-R264 IonicContact OE1-NH1 3.4Å; E249-R264 PolarHBondContact OE1-NH1 2.94Å; E249-R264 IonicContact OE1-NH2 3.85Å; E249-R264 PolarHBondContact OE1-NH2 3.2Å; E249-R264 IonicContact OE2-CZ 3.33Å; E249-R264 VanDerWaalsContact OE2-CZ 3.3Å; E249-R264 IonicContact OE2-NH1 2.73Å; E249-R264 PolarHBondContact OE2-NH1 3.19Å; E249-R264 IonicContact OE2-NH2 3Å; E249-R264 PolarHBondContact OE2-NH2 3.16Å; I262-R264 HydrophobicContact CG2-CG 3.95Å; R264-R268 WeakPolarHBondContact CA-O 3.11Å; R264-T269 HydrophobicContact CG-CG2 4.46Å |
| 265 | A | 86.1 | Confident | 87.5 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A24 I263 E267 R268 Y270 F275 F289 | A24-A265 HydrophobicContact CB-CB 4.23Å; I263-A265 HydrophobicContact CG2-CB 4.46Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 2.85Å; A265-R268 PolarHBondContact N-O 3.45Å; A265-R268 CarbonylContact O-C 3.54Å; A265-R268 WeakPolarHBondContact O-CA 3.29Å; A265-R268 PolarHBondContact O-N 2.57Å; A265-R268 VanDerWaalsContact O-O 3.09Å; A265-Y270 HydrophobicContact CB-CE2 4.3Å; A265-F275 HydrophobicContact CB-CD2 4.4Å; A265-F275 HydrophobicContact CB-CE1 4.43Å; A265-F275 HydrophobicContact CB-CE2 3.45Å; A265-F275 VanDerWaalsContact CB-CE2 3.45Å; A265-F275 HydrophobicContact CB-CZ 3.48Å; A265-F275 VanDerWaalsContact CB-CZ 3.48Å; A265-F289 HydrophobicContact CB-CE1 4.11Å; A265-F289 HydrophobicContact CB-CZ 3.76Å |
| 266 | I | 85.3 | Confident | 87.7 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 48.5 | 179 | -42 | 173.8 | 0 | 0 | 0 | 112 | R268 F289 Q291 V297 | I266-R268 WeakPolarHBondContact O-CG 3.43Å; I266-R268 PolarHBondContact O-N 2.84Å; I266-F289 HydrophobicContact CD1-CE2 4.12Å; I266-F289 HydrophobicContact CG1-CE2 4.03Å; I266-F289 HydrophobicContact CG1-CZ 4.25Å; I266-Q291 HydrophobicContact CD1-CB 3.98Å; I266-Q291 HydrophobicContact CD1-CG 3.75Å; I266-Q291 HydrophobicContact CG1-CG 4.43Å; I266-V297 HydrophobicContact CD1-CG1 3.49Å; I266-V297 VanDerWaalsContact CD1-CG1 3.49Å |
| 267 | E | 83.5 | Confident | 87.9 | Confident | 212 Ų | 212 | 45.4 Ų | 45.4 | 99% | 0.991 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 11.8 | -177.2 | -53.4 | -172.5 | 132.9 | 0 | 0 | 115.5 | A265 | A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 2.85Å |
| 268 | R | 88.6 | Confident | 88.1 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 163.8 | -174.1 | -72.9 | 168.1 | 178.3 | 176.8 | 3.1 | 111.9 | W252 R264 A265 I266 Y270 | W252-R268 HydrophobicContact CB-CB 4.41Å; W252-R268 HydrophobicContact CD2-CG 4.17Å; W252-R268 VanDerWaalsContact CE2-CZ 3.42Å; W252-R268 HydrophobicContact CE3-CG 4Å; W252-R268 HydrophobicContact CG-CG 4.41Å; W252-R268 VanDerWaalsContact CZ2-CZ 3.43Å; R264-R268 WeakPolarHBondContact CA-O 3.11Å; A265-R268 PolarHBondContact N-O 3.45Å; A265-R268 CarbonylContact O-C 3.54Å; A265-R268 WeakPolarHBondContact O-CA 3.29Å; A265-R268 PolarHBondContact O-N 2.57Å; A265-R268 VanDerWaalsContact O-O 3.09Å; I266-R268 WeakPolarHBondContact O-CG 3.43Å; I266-R268 PolarHBondContact O-N 2.84Å; R268-Y270 HydrophobicContact CB-CD2 4.45Å; R268-Y270 HydrophobicContact CB-CE2 3.55Å |
| 269 | T | 90.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.6 | -175.3 | 41.9 | 0 | 0 | 0 | 0 | 110.5 | E249 L250 C251 W252 I262 I263 R264 | E249-T269 HydrophobicContact CB-CG2 4.24Å; E249-T269 HydrophobicContact CG-CG2 4.45Å; L250-T269 PolarHBondContact O-OG1 2.86Å; C251-T269 CarbonylContact C-O 3.53Å; C251-T269 WeakPolarHBondContact CA-O 3.34Å; W252-T269 PolarHBondContact N-O 3.18Å; I262-T269 HydrophobicContact CG2-CG2 3.83Å; I263-T269 WeakPolarHBondContact O-CA 3.44Å; R264-T269 HydrophobicContact CG-CG2 4.46Å |
| 270 | Y | 90.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.4 | -177.1 | -52.3 | -100.7 | 0 | 0 | 0 | 111.4 | W252 T253 I263 A265 R268 F275 | W252-Y270 HydrophobicContact CB-CD1 4.21Å; W252-Y270 HydrophobicContact CB-CE1 3.81Å; W252-Y270 HydrophobicContact CG-CE1 4.35Å; T253-Y270 WeakPolarHBondContact OG1-CD1 3.46Å; I263-Y270 PolarHBondContact N-O 3.49Å; I263-Y270 PolarHBondContact O-N 2.83Å; A265-Y270 HydrophobicContact CB-CE2 4.3Å; R268-Y270 HydrophobicContact CB-CD2 4.45Å; R268-Y270 HydrophobicContact CB-CE2 3.55Å; Y270-F275 HydrophobicContact CD1-CD2 4.19Å; Y270-F275 AromaticContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CE2 4.23Å; Y270-F275 HydrophobicContact CE1-CD2 4.47Å; Y270-F275 HydrophobicContact CE2-CD2 4.13Å; Y270-F275 HydrophobicContact CE2-CE2 4.19Å; Y270-F275 HydrophobicContact CG-CB 4.49Å; Y270-F275 AromaticContact CG-CD2 3.85Å; Y270-F275 HydrophobicContact CG-CD2 3.85Å |
| 271 | H | 91 | Very high | 89.6 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | trans | -65.9 | 150.3 | 159.8 | -55.1 | 97.6 | 0 | 0 | 0 | 109.7 | C251 C254 I257 S273 C274 F275 | C251-H271 WeakPolarHBondContact CB-CE1 3.14Å; C251-H271 WeakPolarHBondContact CB-ND1 3.37Å; C251-H271 PolarHBondContact SG-ND1 2.87Å; C254-H271 VanDerWaalsContact SG-CE1 3.54Å; I257-H271 PolarHBondContact O-NE2 2.89Å; H271-S273 PolarHBondContact O-N 2.87Å; H271-C274 HydrophobicContact CB-CB 4.13Å; H271-C274 PolarHBondContact O-N 3.13Å; H271-F275 PolarHBondContact O-N 2.9Å | ||
| 272 | P | 88.9 | Confident | 90 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -57.1 | -33 | 175.6 | -24.7 | 33.8 | 0 | 0 | 0 | 113.7 | Q261 I263 C274 | Q261-P272 HydrophobicContact CB-CG 3.77Å; Q261-P272 WeakPolarHBondContact O-CD 3.48Å; I263-P272 HydrophobicContact CD1-CB 4.18Å; I263-P272 HydrophobicContact CD1-CG 4.07Å; I263-P272 HydrophobicContact CG1-CB 4.26Å; I263-P272 HydrophobicContact CG1-CG 4.16Å; P272-C274 VanDerWaalsContact C-N 3.33Å |
| 273 | S | 89.9 | Confident | 90.1 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -71.4 | -24 | 175 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | H271 T276 | H271-S273 PolarHBondContact O-N 2.87Å; S273-T276 WeakPolarHBondContact O-CG2 3.31Å |
| 274 | C | 90.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -99.1 | -3.8 | -177.4 | -69.1 | 0 | 0 | 0 | 0 | 113.7 | C251 T253 H271 P272 T276 | C251-C274 VanDerWaalsContact SG-CB 3.58Å; T253-C274 HydrophobicContact CG2-CB 4.35Å; T253-C274 PolarHBondContact OG1-O 2.92Å; T253-C274 VanDerWaalsContact OG1-O 3.12Å; H271-C274 HydrophobicContact CB-CB 4.13Å; H271-C274 PolarHBondContact O-N 3.13Å; P272-C274 VanDerWaalsContact C-N 3.33Å; C274-T276 PolarHBondContact O-N 2.78Å |
| 275 | F | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -97.9 | 73.5 | 175.8 | -165.5 | -113 | 0 | 0 | 0 | 110 | A24 I263 A265 Y270 H271 I284 F289 V297 | A24-F275 HydrophobicContact CB-CD1 4.46Å; A24-F275 HydrophobicContact CB-CE1 3.72Å; A24-F275 HydrophobicContact CB-CZ 4.15Å; I263-F275 HydrophobicContact CB-CB 4.39Å; I263-F275 HydrophobicContact CB-CG 4.43Å; I263-F275 HydrophobicContact CG1-CB 4.18Å; I263-F275 HydrophobicContact CG2-CB 4.16Å; I263-F275 HydrophobicContact CG2-CD1 3.63Å; I263-F275 HydrophobicContact CG2-CD2 4.09Å; I263-F275 HydrophobicContact CG2-CE1 4.03Å; I263-F275 HydrophobicContact CG2-CE2 4.45Å; I263-F275 HydrophobicContact CG2-CG 3.69Å; I263-F275 HydrophobicContact CG2-CZ 4.43Å; A265-F275 HydrophobicContact CB-CD2 4.4Å; A265-F275 HydrophobicContact CB-CE1 4.43Å; A265-F275 HydrophobicContact CB-CE2 3.45Å; A265-F275 VanDerWaalsContact CB-CE2 3.45Å; A265-F275 HydrophobicContact CB-CZ 3.48Å; A265-F275 VanDerWaalsContact CB-CZ 3.48Å; Y270-F275 HydrophobicContact CD1-CD2 4.19Å; Y270-F275 AromaticContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CE2 4.23Å; Y270-F275 HydrophobicContact CE1-CD2 4.47Å; Y270-F275 HydrophobicContact CE2-CD2 4.13Å; Y270-F275 HydrophobicContact CE2-CE2 4.19Å; Y270-F275 HydrophobicContact CG-CB 4.49Å; Y270-F275 AromaticContact CG-CD2 3.85Å; Y270-F275 HydrophobicContact CG-CD2 3.85Å; H271-F275 PolarHBondContact O-N 2.9Å; F275-I284 HydrophobicContact CD1-CB 3.78Å; F275-I284 HydrophobicContact CD1-CG2 4.06Å; F275-I284 HydrophobicContact CE1-CB 3.84Å; F275-I284 HydrophobicContact CE1-CD1 4.43Å; F275-I284 HydrophobicContact CE1-CG2 3.63Å; F275-I284 PolarHBondContact O-N 2.99Å; F275-F289 HydrophobicContact CE1-CD1 4.12Å; F275-F289 HydrophobicContact CE1-CE1 4.33Å; F275-F289 HydrophobicContact CE1-CG 4.47Å; F275-F289 AromaticContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD2 4.22Å; F275-F289 AromaticContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE2 4.15Å; F275-F289 HydrophobicContact CZ-CG 4.13Å; F275-F289 AromaticContact CZ-CZ 3.96Å; F275-F289 HydrophobicContact CZ-CZ 3.96Å; F275-V297 HydrophobicContact CE2-CB 4.47Å; F275-V297 HydrophobicContact CE2-CG1 3.93Å; F275-V297 HydrophobicContact CE2-CG2 4.46Å; F275-V297 HydrophobicContact CZ-CG1 4.27Å | ||
| 276 | T | 93.1 | Very high | 89.5 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 152.9 | -173.4 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | S273 C274 T278 N281 Q282 Q283 V297 | S273-T276 WeakPolarHBondContact O-CG2 3.31Å; C274-T276 PolarHBondContact O-N 2.78Å; T276-T278 PolarHBondContact O-N 3.48Å; T276-N281 WeakPolarHBondContact CG2-O 3.4Å; T276-Q282 CarbonylContact C-O 3.53Å; T276-Q282 VanDerWaalsContact CA-O 3.24Å; T276-Q282 WeakPolarHBondContact CA-O 3.46Å; T276-Q283 HydrophobicContact CG2-CB 4.45Å; T276-Q283 HydrophobicContact CG2-CG 3.79Å; T276-V297 WeakPolarHBondContact O-CG2 3.36Å |
| 277 | C | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -65.8 | 129.7 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | T279 C280 N281 Q282 I284 V297 C299 D302 | C277-T279 PolarHBondContact O-N 3.21Å; C277-T279 PolarHBondContact SG-N 3.05Å; C277-T279 VanDerWaalsContact SG-N 3.45Å; C277-C280 VanDerWaalsContact CB-SG 3.52Å; C277-N281 WeakPolarHBondContact O-CA 3.25Å; C277-N281 PolarHBondContact O-N 3.07Å; C277-Q282 PolarHBondContact N-O 2.9Å; C277-I284 HydrophobicContact CB-CD1 4.33Å; C277-I284 HydrophobicContact CB-CG1 4.47Å; C277-V297 CarbonylContact C-O 3.52Å; C277-V297 WeakPolarHBondContact CA-O 3.35Å; C277-C299 HydrophobicContact CB-CB 4.19Å; C277-C299 PolarHBondContact SG-N 2.9Å; C277-D302 PolarHBondContact SG-OD2 3.38Å | ||
| 278 | T | 91.7 | Very high | 89.3 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.4 | 178.1 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | T276 V297 | T276-T278 PolarHBondContact O-N 3.48Å; T278-V297 PolarHBondContact N-O 3.48Å; T278-V297 PolarHBondContact OG1-N 2.94Å; T278-V297 PolarHBondContact OG1-O 3.35Å; T278-V297 VanDerWaalsContact OG1-O 3.12Å |
| 279 | T | 91.4 | Very high | 89.3 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -68.8 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | C277 N281 Y298 D302 | C277-T279 PolarHBondContact O-N 3.21Å; C277-T279 PolarHBondContact SG-N 3.05Å; C277-T279 VanDerWaalsContact SG-N 3.45Å; T279-N281 PolarHBondContact O-ND2 3.08Å; T279-Y298 WeakPolarHBondContact OG1-CD1 3.24Å; T279-Y298 VanDerWaalsContact OG1-CE1 3.31Å; T279-Y298 WeakPolarHBondContact OG1-CE1 3.16Å; T279-D302 WeakPolarHBondContact CB-OD2 3.31Å; T279-D302 HydrophobicContact CG2-CB 4.12Å |
| 280 | C | 92.9 | Very high | 89.2 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.5 | -174 | 64 | 0 | 0 | 0 | 0 | 115.6 | C277 Q282 D302 | C277-C280 VanDerWaalsContact CB-SG 3.52Å; C280-Q282 PolarHBondContact O-N 3.4Å; C280-D302 VanDerWaalsContact CB-OD2 3.25Å; C280-D302 WeakPolarHBondContact CB-OD2 3.39Å; C280-D302 PolarHBondContact N-OD2 3.26Å; C280-D302 PolarHBondContact SG-OD2 3.2Å |
| 281 | N | 92 | Very high | 89.1 | Confident | 115 Ų | 115 | 51.2 Ų | 51.2 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | trans | 58.9 | 9.3 | -175.5 | -67 | -93.9 | 0 | 0 | 0 | 115.4 | T276 C277 T279 | T276-N281 WeakPolarHBondContact CG2-O 3.4Å; C277-N281 WeakPolarHBondContact O-CA 3.25Å; C277-N281 PolarHBondContact O-N 3.07Å; T279-N281 PolarHBondContact O-ND2 3.08Å | ||
| 282 | Q | 91.5 | Very high | 88.7 | Confident | 129 Ų | 129 | 50 Ų | 50 | 60% | 0.603 | 29% | 0.291 | S | S | * | . | trans | -72.5 | 140.7 | 175.9 | -170.1 | 171.6 | 4.8 | 0 | 0 | 111.4 | T276 C277 C280 I284 | T276-Q282 CarbonylContact C-O 3.53Å; T276-Q282 VanDerWaalsContact CA-O 3.24Å; T276-Q282 WeakPolarHBondContact CA-O 3.46Å; C277-Q282 PolarHBondContact N-O 2.9Å; C280-Q282 PolarHBondContact O-N 3.4Å; Q282-I284 PolarHBondContact O-N 3.43Å | ||
| 283 | Q | 90.8 | Very high | 88.1 | Confident | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | B | Isolated β-bridge | trans | -65.7 | 128.4 | 175.8 | -67.5 | 170.4 | 4.1 | 0 | 0 | 110.8 | T276 | T276-Q283 HydrophobicContact CG2-CB 4.45Å; T276-Q283 HydrophobicContact CG2-CG 3.79Å |
| 284 | I | 89.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -87.5 | -38.8 | -179 | -63 | 172.2 | 0 | 0 | 0 | 110.5 | F275 C277 Q282 A286 Q287 F289 V297 | F275-I284 HydrophobicContact CD1-CB 3.78Å; F275-I284 HydrophobicContact CD1-CG2 4.06Å; F275-I284 HydrophobicContact CE1-CB 3.84Å; F275-I284 HydrophobicContact CE1-CD1 4.43Å; F275-I284 HydrophobicContact CE1-CG2 3.63Å; F275-I284 PolarHBondContact O-N 2.99Å; C277-I284 HydrophobicContact CB-CD1 4.33Å; C277-I284 HydrophobicContact CB-CG1 4.47Å; Q282-I284 PolarHBondContact O-N 3.43Å; I284-A286 PolarHBondContact O-N 3.05Å; I284-Q287 HydrophobicContact CG2-CB 4.26Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.34Å; I284-Q287 WeakPolarHBondContact O-CG 3.39Å; I284-Q287 PolarHBondContact O-N 3.14Å; I284-F289 HydrophobicContact CD1-CB 4.16Å; I284-F289 HydrophobicContact CG2-CB 3.83Å; I284-F289 HydrophobicContact CG2-CG 4.48Å; I284-V297 HydrophobicContact CD1-CB 4.35Å | ||
| 285 | G | 83.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -118 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A24 | A24-G285 WeakPolarHBondContact CB-O 3.41Š|
| 286 | A | 77.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V26 I284 | V26-A286 HydrophobicContact CG2-CB 3.69Å; I284-A286 PolarHBondContact O-N 3.05Å |
| 287 | Q | 81.1 | Confident | 86.3 | Confident | 123 Ų | 123 | 61 Ų | 61 | 58% | 0.575 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -71.1 | 165.5 | 178.1 | -64.5 | -173.5 | -15.1 | 0 | 0 | 111.5 | I284 | I284-Q287 HydrophobicContact CG2-CB 4.26Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.34Å; I284-Q287 WeakPolarHBondContact O-CG 3.39Å; I284-Q287 PolarHBondContact O-N 3.14Å |
| 288 | A | 83.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P21 H22 L300 | P21-A288 HydrophobicContact CB-CB 4.09Å; H22-A288 CarbonylContact O-C 3.51Å; H22-A288 VanDerWaalsContact O-CA 3.31Å; H22-A288 WeakPolarHBondContact O-CA 3.39Å; A288-L300 HydrophobicContact CB-CD1 3.71Å; A288-L300 HydrophobicContact CB-CG 4.31Å |
| 289 | F | 89.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165.3 | -175.2 | 74.5 | -87.2 | 0 | 0 | 0 | 111.2 | H22 A24 A265 I266 F275 I284 V297 Y298 | H22-F289 HydrophobicContact CB-CD1 4.11Å; H22-F289 HydrophobicContact CB-CD2 4.29Å; H22-F289 HydrophobicContact CB-CE1 3.62Å; H22-F289 HydrophobicContact CB-CE2 3.82Å; H22-F289 HydrophobicContact CB-CG 4.42Å; H22-F289 HydrophobicContact CB-CZ 3.45Å; H22-F289 VanDerWaalsContact CB-CZ 3.45Å; H22-F289 PolarHBondContact N-O 3.48Å; H22-F289 WeakPolarHBondContact O-CD1 3.44Å; H22-F289 PolarHBondContact O-N 3.33Å; A24-F289 HydrophobicContact CB-CD1 4.28Å; A24-F289 HydrophobicContact CB-CE1 3.9Å; A265-F289 HydrophobicContact CB-CE1 4.11Å; A265-F289 HydrophobicContact CB-CZ 3.76Å; I266-F289 HydrophobicContact CD1-CE2 4.12Å; I266-F289 HydrophobicContact CG1-CE2 4.03Å; I266-F289 HydrophobicContact CG1-CZ 4.25Å; F275-F289 HydrophobicContact CE1-CD1 4.12Å; F275-F289 HydrophobicContact CE1-CE1 4.33Å; F275-F289 HydrophobicContact CE1-CG 4.47Å; F275-F289 AromaticContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD2 4.22Å; F275-F289 AromaticContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE2 4.15Å; F275-F289 HydrophobicContact CZ-CG 4.13Å; F275-F289 AromaticContact CZ-CZ 3.96Å; F275-F289 HydrophobicContact CZ-CZ 3.96Å; I284-F289 HydrophobicContact CD1-CB 4.16Å; I284-F289 HydrophobicContact CG2-CB 3.83Å; I284-F289 HydrophobicContact CG2-CG 4.48Å; F289-V297 HydrophobicContact CD2-CG1 4.04Å; F289-V297 HydrophobicContact CE2-CG1 3.99Å; F289-Y298 WeakPolarHBondContact CA-O 3.29Å; F289-Y298 WeakPolarHBondContact CB-O 3.48Å |
| 290 | A | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y298 L300 Y303 | A290-Y298 PolarHBondContact N-O 3.03Å; A290-Y298 PolarHBondContact O-N 2.88Å; A290-L300 HydrophobicContact CB-CD2 4.22Å; A290-Y303 HydrophobicContact CB-CD1 3.43Å; A290-Y303 VanDerWaalsContact CB-CD1 3.43Å; A290-Y303 HydrophobicContact CB-CD2 3.42Å; A290-Y303 VanDerWaalsContact CB-CD2 3.42Å; A290-Y303 HydrophobicContact CB-CE1 3.8Å; A290-Y303 HydrophobicContact CB-CE2 3.81Å; A290-Y303 HydrophobicContact CB-CG 3.23Å |
| 291 | Q | 88 | Confident | 85.6 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132 | 175.3 | 170.9 | 172.1 | -10.5 | 0 | 0 | 109.8 | I266 | I266-Q291 HydrophobicContact CD1-CB 3.98Å; I266-Q291 HydrophobicContact CD1-CG 3.75Å; I266-Q291 HydrophobicContact CG1-CG 4.43Å |
| 292 | G | 82.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | -87.7 | 168.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V294 G295 E296 | G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 2.92Å; G292-V294 VanDerWaalsContact O-N 3.16Å; G292-G295 PolarHBondContact O-N 3.45Å; G292-G295 VanDerWaalsContact O-N 3.16Å; G292-E296 PolarHBondContact N-O 3.01Å | ||
| 293 | E | 76 | Confident | 85.4 | Confident | 172 Ų | 172 | 50.7 Ų | 50.7 | 80% | 0.804 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.6 | -172.2 | -66.6 | 161.5 | -135.3 | 0 | 0 | 114 | ||
| 294 | V | 78.6 | Confident | 85.3 | Confident | 129 Ų | 129 | 46.7 Ų | 46.7 | 78% | 0.782 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 29.1 | -175 | -157.7 | 0 | 0 | 0 | 0 | 112.1 | G292 E296 | G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 2.92Å; G292-V294 VanDerWaalsContact O-N 3.16Å; V294-E296 PolarHBondContact O-N 3.43Å |
| 295 | G | 75.1 | Confident | 85.1 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 72.1 | 17.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G292 | G292-G295 PolarHBondContact O-N 3.45Å; G292-G295 VanDerWaalsContact O-N 3.16Å |
| 296 | E | 86.4 | Confident | 85.2 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | trans | -61.3 | 153.6 | 164.2 | -55 | -178.8 | 132.1 | 0 | 0 | 110.1 | G292 V294 Y298 | G292-E296 PolarHBondContact N-O 3.01Å; V294-E296 PolarHBondContact O-N 3.43Å; E296-Y298 HydrophobicContact CB-CD2 4.35Å; E296-Y298 HydrophobicContact CB-CE2 3.63Å; E296-Y298 PolarHBondContact OE1-OH 3.13Å; E296-Y298 VanDerWaalsContact OE2-CE2 3.29Å; E296-Y298 WeakPolarHBondContact OE2-CE2 3.43Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.18Å | ||
| 297 | V | 89.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.8 | 178 | -80 | 0 | 0 | 0 | 0 | 110.2 | I266 F275 T276 C277 T278 I284 F289 | I266-V297 HydrophobicContact CD1-CG1 3.49Å; I266-V297 VanDerWaalsContact CD1-CG1 3.49Å; F275-V297 HydrophobicContact CE2-CB 4.47Å; F275-V297 HydrophobicContact CE2-CG1 3.93Å; F275-V297 HydrophobicContact CE2-CG2 4.46Å; F275-V297 HydrophobicContact CZ-CG1 4.27Å; T276-V297 WeakPolarHBondContact O-CG2 3.36Å; C277-V297 CarbonylContact C-O 3.52Å; C277-V297 WeakPolarHBondContact CA-O 3.35Å; T278-V297 PolarHBondContact N-O 3.48Å; T278-V297 PolarHBondContact OG1-N 2.94Å; T278-V297 PolarHBondContact OG1-O 3.35Å; T278-V297 VanDerWaalsContact OG1-O 3.12Å; I284-V297 HydrophobicContact CD1-CB 4.35Å; F289-V297 HydrophobicContact CD2-CG1 4.04Å; F289-V297 HydrophobicContact CE2-CG1 3.99Å |
| 298 | Y | 90.4 | Very high | 86 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.8 | -177.6 | -64.6 | -87.1 | 0 | 0 | 0 | 110 | T279 F289 A290 E296 Y303 K306 | T279-Y298 WeakPolarHBondContact OG1-CD1 3.24Å; T279-Y298 VanDerWaalsContact OG1-CE1 3.31Å; T279-Y298 WeakPolarHBondContact OG1-CE1 3.16Å; F289-Y298 WeakPolarHBondContact CA-O 3.29Å; F289-Y298 WeakPolarHBondContact CB-O 3.48Å; A290-Y298 PolarHBondContact N-O 3.03Å; A290-Y298 PolarHBondContact O-N 2.88Å; E296-Y298 HydrophobicContact CB-CD2 4.35Å; E296-Y298 HydrophobicContact CB-CE2 3.63Å; E296-Y298 PolarHBondContact OE1-OH 3.13Å; E296-Y298 VanDerWaalsContact OE2-CE2 3.29Å; E296-Y298 WeakPolarHBondContact OE2-CE2 3.43Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.18Å; Y298-Y303 HydrophobicContact CD2-CD2 4.34Å; Y298-Y303 HydrophobicContact CG-CD2 4.47Å; Y298-K306 HydrophobicContact CE1-CD 4.37Å; Y298-K306 PolarHBondContact OH-NZ 2.96Å |
| 299 | C | 90.8 | Very high | 86.2 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 150 | 161.4 | 71.1 | 0 | 0 | 0 | 0 | 108.7 | C277 Q301 D302 Y303 | C277-C299 HydrophobicContact CB-CB 4.19Å; C277-C299 PolarHBondContact SG-N 2.9Å; C299-Q301 PolarHBondContact O-N 3.09Å; C299-Q301 VanDerWaalsContact O-N 3.13Å; C299-D302 PolarHBondContact O-N 2.88Å; C299-D302 PolarHBondContact SG-OD2 3.02Å; C299-Y303 PolarHBondContact O-N 2.93Å |
| 300 | L | 86.1 | Confident | 86.3 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -33.3 | -175.4 | -62.1 | -177.2 | 0 | 0 | 0 | 112.6 | P21 A288 A290 Y303 Y304 | P21-L300 HydrophobicContact CB-CD1 3.94Å; P21-L300 HydrophobicContact CB-CD2 3.94Å; A288-L300 HydrophobicContact CB-CD1 3.71Å; A288-L300 HydrophobicContact CB-CG 4.31Å; A290-L300 HydrophobicContact CB-CD2 4.22Å; L300-Y303 PolarHBondContact O-N 3.39Å; L300-Y304 HydrophobicContact CB-CD2 4.3Å; L300-Y304 HydrophobicContact CB-CE2 3.95Å; L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.21Å; L300-Y304 WeakPolarHBondContact O-CD2 3.39Å; L300-Y304 PolarHBondContact O-N 2.86Å |
| 301 | Q | 86.6 | Confident | 86.6 | Confident | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 179.1 | -168.8 | 176.8 | 34 | 0 | 0 | 112.8 | C299 R305 | C299-Q301 PolarHBondContact O-N 3.09Å; C299-Q301 VanDerWaalsContact O-N 3.13Å; Q301-R305 WeakPolarHBondContact O-CB 3.05Å; Q301-R305 WeakPolarHBondContact O-CG 3.16Å; Q301-R305 PolarHBondContact O-N 3.38Å |
| 302 | D | 90.3 | Very high | 86.8 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.4 | -34.7 | 177.8 | -73 | -26.9 | 0 | 0 | 0 | 111.9 | C277 T279 C280 C299 R305 K306 | C277-D302 PolarHBondContact SG-OD2 3.38Å; T279-D302 WeakPolarHBondContact CB-OD2 3.31Å; T279-D302 HydrophobicContact CG2-CB 4.12Å; C280-D302 VanDerWaalsContact CB-OD2 3.25Å; C280-D302 WeakPolarHBondContact CB-OD2 3.39Å; C280-D302 PolarHBondContact N-OD2 3.26Å; C280-D302 PolarHBondContact SG-OD2 3.2Å; C299-D302 PolarHBondContact O-N 2.88Å; C299-D302 PolarHBondContact SG-OD2 3.02Å; D302-R305 PolarHBondContact O-N 2.82Å; D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 VanDerWaalsContact O-N 3.08Å |
| 303 | Y | 89.4 | Confident | 87.2 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -50.8 | 174 | -174 | -108.1 | 0 | 0 | 0 | 111.2 | L18 S19 A290 Y298 C299 L300 R305 K306 Y307 | L18-Y303 HydrophobicContact CB-CE1 4.02Å; L18-Y303 HydrophobicContact CD2-CE1 4.48Å; S19-Y303 PolarHBondContact N-OH 3.17Å; S19-Y303 PolarHBondContact OG-OH 2.95Å; S19-Y303 VanDerWaalsContact OG-OH 3.09Å; A290-Y303 HydrophobicContact CB-CD1 3.43Å; A290-Y303 VanDerWaalsContact CB-CD1 3.43Å; A290-Y303 HydrophobicContact CB-CD2 3.42Å; A290-Y303 VanDerWaalsContact CB-CD2 3.42Å; A290-Y303 HydrophobicContact CB-CE1 3.8Å; A290-Y303 HydrophobicContact CB-CE2 3.81Å; A290-Y303 HydrophobicContact CB-CG 3.23Å; Y298-Y303 HydrophobicContact CD2-CD2 4.34Å; Y298-Y303 HydrophobicContact CG-CD2 4.47Å; C299-Y303 PolarHBondContact O-N 2.93Å; L300-Y303 PolarHBondContact O-N 3.39Å; Y303-R305 VanDerWaalsContact C-N 3.34Å; Y303-R305 PolarHBondContact O-N 2.98Å; Y303-K306 PolarHBondContact O-N 2.8Å; Y303-K306 VanDerWaalsContact O-N 3.07Å; Y303-Y307 AromaticContact CD2-CD2 3.4Å; Y303-Y307 HydrophobicContact CD2-CD2 3.4Å; Y303-Y307 AromaticContact CD2-CE2 3.64Å; Y303-Y307 HydrophobicContact CD2-CE2 3.64Å; Y303-Y307 AromaticContact CE2-CD2 3.35Å; Y303-Y307 HydrophobicContact CE2-CD2 3.35Å; Y303-Y307 AromaticContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CG 4.19Å; Y303-Y307 HydrophobicContact CG-CD2 4.09Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3Å |
| 304 | Y | 87.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176 | -62 | -27.5 | 0 | 0 | 0 | 112 | L18 L300 K306 A308 I319 | L18-Y304 HydrophobicContact CB-CD1 4.48Å; L18-Y304 HydrophobicContact CB-CE1 4.11Å; L18-Y304 HydrophobicContact CD1-CD1 3.62Å; L18-Y304 HydrophobicContact CD1-CE1 3.91Å; L300-Y304 HydrophobicContact CB-CD2 4.3Å; L300-Y304 HydrophobicContact CB-CE2 3.95Å; L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.21Å; L300-Y304 WeakPolarHBondContact O-CD2 3.39Å; L300-Y304 PolarHBondContact O-N 2.86Å; Y304-K306 PolarHBondContact O-N 2.98Å; Y304-A308 WeakPolarHBondContact O-CB 3.37Å; Y304-A308 PolarHBondContact O-N 3.4Å; Y304-I319 HydrophobicContact CD2-CG2 3.4Å; Y304-I319 HydrophobicContact CE2-CG2 3.92Å; Y304-I319 HydrophobicContact CG-CG2 4.02Å |
| 305 | R | 87 | Confident | 88.8 | Confident | 162 Ų | 162 | 54.4 Ų | 54.4 | 61% | 0.611 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.2 | -29.1 | 171.9 | -79.7 | 170.8 | 176.4 | -84.5 | 2.9 | 114 | Q301 D302 Y303 | Q301-R305 WeakPolarHBondContact O-CB 3.05Å; Q301-R305 WeakPolarHBondContact O-CG 3.16Å; Q301-R305 PolarHBondContact O-N 3.38Å; D302-R305 PolarHBondContact O-N 2.82Å; Y303-R305 VanDerWaalsContact C-N 3.34Å; Y303-R305 PolarHBondContact O-N 2.98Å |
| 306 | K | 85.6 | Confident | 89.6 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -93.9 | -30.5 | -176.6 | -172.8 | 178 | 175.3 | -154.7 | 0 | 113.3 | Y298 D302 Y303 Y304 | Y298-K306 HydrophobicContact CE1-CD 4.37Å; Y298-K306 PolarHBondContact OH-NZ 2.96Å; D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 VanDerWaalsContact O-N 3.08Å; Y303-K306 PolarHBondContact O-N 2.8Å; Y303-K306 VanDerWaalsContact O-N 3.07Å; Y304-K306 PolarHBondContact O-N 2.98Å |
| 307 | Y | 85.3 | Confident | 89.9 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -127.4 | -10.7 | -168.2 | -62.1 | -75.4 | 0 | 0 | 0 | 115.9 | L18 Y303 | L18-Y307 WeakPolarHBondContact CD2-O 3.3Å; Y303-Y307 AromaticContact CD2-CD2 3.4Å; Y303-Y307 HydrophobicContact CD2-CD2 3.4Å; Y303-Y307 AromaticContact CD2-CE2 3.64Å; Y303-Y307 HydrophobicContact CD2-CE2 3.64Å; Y303-Y307 AromaticContact CE2-CD2 3.35Å; Y303-Y307 HydrophobicContact CE2-CD2 3.35Å; Y303-Y307 AromaticContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CG 4.19Å; Y303-Y307 HydrophobicContact CG-CD2 4.09Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3Å |
| 308 | A | 88.9 | Confident | 89.9 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -70.4 | 144.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 Y304 L317 I319 | L18-A308 HydrophobicContact CD1-CB 3.95Å; Y304-A308 WeakPolarHBondContact O-CB 3.37Å; Y304-A308 PolarHBondContact O-N 3.4Å; A308-L317 HydrophobicContact CB-CB 4.25Å; A308-I319 HydrophobicContact CB-CG1 4.12Å |
| 309 | P | 89.1 | Confident | 89.8 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 148.9 | 177.1 | 26.7 | -30.6 | 0 | 0 | 0 | 111.6 | I318 T329 | P309-I318 HydrophobicContact CG-CB 4.36Å; P309-I318 HydrophobicContact CG-CD1 4.36Å; P309-I318 PolarHBondContact O-N 3.32Å; P309-T329 HydrophobicContact CG-CG2 3.67Å |
| 310 | M | 92 | Very high | 89.5 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 132.8 | 178 | -176.1 | 176.8 | -76.9 | 0 | 0 | 111 | S312 D315 L317 | M310-S312 PolarHBondContact O-N 3.47Å; M310-D315 HydrophobicContact SD-CB 4.42Å; M310-L317 HydrophobicContact CB-CD2 4.5Å |
| 311 | C | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 117.8 | 177.5 | 178 | 0 | 0 | 0 | 0 | 111.6 | A313 C314 D315 Q316 I318 S336 H338 C341 | C311-A313 PolarHBondContact O-N 2.88Å; C311-C314 PolarHBondContact O-N 2.86Å; C311-C314 VanDerWaalsContact SG-SG 3.65Å; C311-D315 WeakPolarHBondContact O-CA 3.43Å; C311-D315 PolarHBondContact O-N 3.06Å; C311-Q316 WeakPolarHBondContact CB-O 3.47Å; C311-Q316 PolarHBondContact N-O 3.49Å; C311-I318 HydrophobicContact CB-CD1 4.07Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; C311-S336 WeakPolarHBondContact CA-O 3.38Å; C311-H338 WeakPolarHBondContact CB-CE1 3.24Å; C311-H338 WeakPolarHBondContact CB-ND1 3.39Å; C311-H338 PolarHBondContact SG-N 3.4Å; C311-H338 PolarHBondContact SG-ND1 3.05Å; C311-C341 VanDerWaalsContact SG-CB 3.56Å |
| 312 | S | 92.1 | Very high | 89.2 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 22.8 | -177.6 | -57.7 | 0 | 0 | 0 | 0 | 114.9 | M310 S336 | M310-S312 PolarHBondContact O-N 3.47Å; S312-S336 PolarHBondContact N-O 2.86Å |
| 313 | A | 91.5 | Very high | 88.9 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -9.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | C311 Y337 C341 | C311-A313 PolarHBondContact O-N 2.88Å; A313-Y337 HydrophobicContact CB-CD1 3.86Å; A313-Y337 HydrophobicContact CB-CE1 3.95Å; A313-C341 HydrophobicContact CB-CB 4.14Å |
| 314 | C | 93.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 31% | 0.311 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.2 | 2.1 | 177.4 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | C311 Q316 H338 | C311-C314 PolarHBondContact O-N 2.86Å; C311-C314 VanDerWaalsContact SG-SG 3.65Å; C314-Q316 PolarHBondContact O-N 2.92Å; C314-Q316 PolarHBondContact O-NE2 3.45Å; C314-H338 PolarHBondContact SG-CE1 2.92Å; C314-H338 PolarHBondContact SG-ND1 3.01Å; C314-H338 VanDerWaalsContact SG-ND1 3.4Å |
| 315 | D | 93.5 | Very high | 88.3 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | trans | 55.7 | 17.7 | 178.9 | -50.4 | -45 | 0 | 0 | 0 | 114.9 | M310 C311 | M310-D315 HydrophobicContact SD-CB 4.42Å; C311-D315 WeakPolarHBondContact O-CA 3.43Å; C311-D315 PolarHBondContact O-N 3.06Å | ||
| 316 | Q | 93.2 | Very high | 88.3 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | trans | -96.4 | 152.1 | 173.2 | -58.1 | -48.2 | -68.5 | 0 | 0 | 111.4 | C311 C314 H338 | C311-Q316 WeakPolarHBondContact CB-O 3.47Å; C311-Q316 PolarHBondContact N-O 3.49Å; C314-Q316 PolarHBondContact O-N 2.92Å; C314-Q316 PolarHBondContact O-NE2 3.45Å; Q316-H338 PolarHBondContact O-CE1 2.84Å | ||
| 317 | L | 91.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 143.7 | 174.4 | -59.1 | 177.8 | 0 | 0 | 0 | 111.3 | A308 M310 I319 H338 | A308-L317 HydrophobicContact CB-CB 4.25Å; M310-L317 HydrophobicContact CB-CD2 4.5Å; L317-I319 HydrophobicContact CB-CD1 3.93Å; L317-I319 HydrophobicContact CB-CG1 3.9Å; L317-I319 HydrophobicContact CD1-CD1 4.34Å; L317-H338 PolarHBondContact O-NE2 2.99Å |
| 318 | I | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -92.9 | 102.6 | 176.7 | -49.9 | 166.5 | 0 | 0 | 0 | 107.5 | I16 P309 C311 D326 T329 Y337 | I16-I318 HydrophobicContact CD1-CB 4.48Å; I16-I318 HydrophobicContact CD1-CG2 3.73Å; P309-I318 HydrophobicContact CG-CB 4.36Å; P309-I318 HydrophobicContact CG-CD1 4.36Å; P309-I318 PolarHBondContact O-N 3.32Å; C311-I318 HydrophobicContact CB-CD1 4.07Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; I318-D326 HydrophobicContact CG2-CB 4.2Å; I318-T329 HydrophobicContact CB-CG2 4.15Å; I318-T329 HydrophobicContact CD1-CG2 3.84Å; I318-T329 HydrophobicContact CG2-CG2 3.84Å; I318-Y337 VanDerWaalsContact CD1-C 3.44Å | ||
| 319 | I | 88.1 | Confident | 88.3 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | trans | -124.6 | 122.8 | -171.2 | -59.6 | -178.7 | 0 | 0 | 0 | 109 | Y304 A308 L317 K321 | Y304-I319 HydrophobicContact CD2-CG2 3.4Å; Y304-I319 HydrophobicContact CE2-CG2 3.92Å; Y304-I319 HydrophobicContact CG-CG2 4.02Å; A308-I319 HydrophobicContact CB-CG1 4.12Å; L317-I319 HydrophobicContact CB-CD1 3.93Å; L317-I319 HydrophobicContact CB-CG1 3.9Å; L317-I319 HydrophobicContact CD1-CD1 4.34Å; I319-K321 PolarHBondContact O-N 2.84Å | ||
| 320 | P | 84.9 | Confident | 88.4 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | trans | -57.8 | 133.8 | 176.4 | -22.4 | 31.8 | 0 | 0 | 0 | 112.1 | I16 D326 | I16-P320 HydrophobicContact CB-CG 3.99Å; I16-P320 HydrophobicContact CD1-CG 3.98Å; I16-P320 HydrophobicContact CG1-CG 4.37Å; I16-P320 HydrophobicContact CG2-CG 4.08Å; P320-D326 WeakPolarHBondContact CA-O 3.44Å | ||
| 321 | K | 84.1 | Confident | 88.3 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | trans | -104.5 | 156.3 | 173.6 | -53 | -169.9 | -175.4 | 86.9 | 0 | 110.7 | I319 D323 G324 T325 D326 | I319-K321 PolarHBondContact O-N 2.84Å; K321-D323 PolarHBondContact O-N 2.93Å; K321-G324 PolarHBondContact O-N 3.1Å; K321-T325 HydrophobicContact CD-CG2 4.35Å; K321-T325 PolarHBondContact N-O 3Å; K321-D326 IonicContact NZ-OD2 2.6Å; K321-D326 PolarHBondContact NZ-OD2 3.25Å | ||
| 322 | E | 81.1 | Confident | 87.9 | Confident | 205 Ų | 205 | 60.6 Ų | 60.6 | 96% | 0.958 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.5 | 177.7 | -61.3 | -171.1 | 153.4 | 0 | 0 | 112 | G324 | E322-G324 PolarHBondContact O-N 2.84Š|
| 323 | D | 84.4 | Confident | 87.6 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 10.8 | 173.2 | -45.3 | -76.7 | 0 | 0 | 0 | 114.4 | K321 T325 | K321-D323 PolarHBondContact O-N 2.93Å; D323-T325 PolarHBondContact O-N 3.35Å |
| 324 | G | 79.8 | Confident | 87.2 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 38% | 0.381 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 71.6 | -9.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K321 E322 S327 | K321-G324 PolarHBondContact O-N 3.1Å; E322-G324 PolarHBondContact O-N 2.84Å; G324-S327 WeakPolarHBondContact O-CB 3.39Å; G324-S327 PolarHBondContact O-N 3.29Å; G324-S327 PolarHBondContact O-OG 3.31Å |
| 325 | T | 85.6 | Confident | 87 | Confident | 45 Ų | 45 | 66 Ų | 66 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 134.8 | 175 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | K321 D323 S327 | K321-T325 HydrophobicContact CD-CG2 4.35Å; K321-T325 PolarHBondContact N-O 3Å; D323-T325 PolarHBondContact O-N 3.35Å; T325-S327 PolarHBondContact O-N 3.09Å |
| 326 | D | 86.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.1 | -177.5 | -51.1 | -46.3 | 0 | 0 | 0 | 114.1 | I16 I318 P320 K321 Y328 H338 | I16-D326 WeakPolarHBondContact CD1-O 3.43Å; I318-D326 HydrophobicContact CG2-CB 4.2Å; P320-D326 WeakPolarHBondContact CA-O 3.44Å; K321-D326 IonicContact NZ-OD2 2.6Å; K321-D326 PolarHBondContact NZ-OD2 3.25Å; D326-Y328 PolarHBondContact O-N 3.34Å; D326-H338 WeakPolarHBondContact OD1-CB 3.4Å; D326-H338 IonicContact OD1-CD2 3.81Å; D326-H338 PolarHBondContact OD1-CD2 3.25Å; D326-H338 IonicContact OD1-CG 2.66Å; D326-H338 IonicContact OD2-CD2 3.59Å |
| 327 | S | 84 | Confident | 86.8 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | trans | -69.3 | -15.1 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | G324 T325 | G324-S327 WeakPolarHBondContact O-CB 3.39Å; G324-S327 PolarHBondContact O-N 3.29Å; G324-S327 PolarHBondContact O-OG 3.31Å; T325-S327 PolarHBondContact O-N 3.09Å | ||
| 328 | Y | 86.4 | Confident | 86.8 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.6 | 174 | 69 | -79.6 | 0 | 0 | 0 | 110.6 | V14 D326 V330 E339 | V14-Y328 CarbonylContact O-C 3.54Å; V14-Y328 WeakPolarHBondContact O-CA 3.43Å; V14-Y328 WeakPolarHBondContact O-CB 3.41Å; D326-Y328 PolarHBondContact O-N 3.34Å; Y328-V330 HydrophobicContact CD2-CG2 4.23Å; Y328-V330 HydrophobicContact CE2-CG2 3.73Å; Y328-E339 HydrophobicContact CE1-CB 4.3Å; Y328-E339 HydrophobicContact CE1-CG 4.3Å; Y328-E339 VanDerWaalsContact CE1-OE1 3.28Å; Y328-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y328-E339 VanDerWaalsContact OH-CD 3.24Å; Y328-E339 WeakPolarHBondContact OH-CG 3.49Å; Y328-E339 PolarHBondContact OH-OE1 2.73Å |
| 329 | T | 89.4 | Confident | 86.8 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 143.3 | 168.1 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | S13 V14 I16 P309 I318 | S13-T329 WeakPolarHBondContact CA-O 3.21Å; V14-T329 PolarHBondContact N-O 3.4Å; V14-T329 PolarHBondContact O-N 2.96Å; V14-T329 PolarHBondContact O-OG1 3.19Å; V14-T329 VanDerWaalsContact O-OG1 3.1Å; I16-T329 HydrophobicContact CD1-CG2 3.88Å; I16-T329 HydrophobicContact CG1-CG2 4.01Å; P309-T329 HydrophobicContact CG-CG2 3.67Å; I318-T329 HydrophobicContact CB-CG2 4.15Å; I318-T329 HydrophobicContact CD1-CG2 3.84Å; I318-T329 HydrophobicContact CG2-CG2 3.84Å |
| 330 | V | 90.2 | Very high | 87 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123 | 163.1 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | V11 Y328 S336 Y337 Y342 P353 | V11-V330 HydrophobicContact CG1-CG1 3.81Å; Y328-V330 HydrophobicContact CD2-CG2 4.23Å; Y328-V330 HydrophobicContact CE2-CG2 3.73Å; V330-S336 CarbonylContact O-C 3.58Å; V330-S336 WeakPolarHBondContact O-CA 3.26Å; V330-Y337 PolarHBondContact N-O 3.06Å; V330-Y337 PolarHBondContact O-N 3.48Å; V330-Y342 HydrophobicContact CB-CD2 4.04Å; V330-Y342 HydrophobicContact CB-CG 4.05Å; V330-Y342 HydrophobicContact CG1-CD1 3.91Å; V330-Y342 HydrophobicContact CG1-CD2 3.5Å; V330-Y342 VanDerWaalsContact CG1-CD2 3.5Å; V330-Y342 HydrophobicContact CG1-CE1 3.92Å; V330-Y342 HydrophobicContact CG1-CE2 3.51Å; V330-Y342 HydrophobicContact CG1-CG 3.72Å; V330-Y342 HydrophobicContact CG2-CD1 4.42Å; V330-Y342 HydrophobicContact CG2-CG 4.26Å; V330-P353 HydrophobicContact CG1-CB 4.34Å; V330-P353 HydrophobicContact CG1-CG 4.1Å; V330-P353 HydrophobicContact CG2-CG 3.99Å |
| 331 | E | 89.1 | Confident | 87.4 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.4 | 178.2 | -61.7 | -165.3 | 152.5 | 0 | 0 | 110.6 | V11 S12 V14 R335 | V11-E331 VanDerWaalsContact CA-O 3.3Å; V11-E331 WeakPolarHBondContact CA-O 3.17Å; V11-E331 WeakPolarHBondContact CG1-O 3.3Å; S12-E331 PolarHBondContact N-O 3.47Å; S12-E331 PolarHBondContact O-N 3.43Å; V14-E331 HydrophobicContact CG2-CG 4.26Å; E331-R335 WeakPolarHBondContact CA-O 3.44Å |
| 332 | C | 87 | Confident | 87.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 136.2 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | V11 G334 R335 Y337 Y342 M367 | V11-C332 HydrophobicContact CG1-CB 4.33Å; V11-C332 HydrophobicContact CG2-CB 4.29Å; C332-G334 PolarHBondContact O-N 2.88Å; C332-G334 VanDerWaalsContact O-N 3.12Å; C332-R335 PolarHBondContact N-O 2.93Å; C332-R335 WeakPolarHBondContact O-CB 3.39Å; C332-R335 PolarHBondContact O-N 3.02Å; C332-Y337 HydrophobicContact CB-CE2 4.42Å; C332-Y342 HydrophobicContact CB-CE2 4.06Å; C332-M367 HydrophobicContact CB-SD 3.6Å; C332-M367 VanDerWaalsContact CB-SD 3.6Å |
| 333 | L | 84.3 | Confident | 88.3 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 27.7 | -177 | -51.2 | 178.9 | 0 | 0 | 0 | 114.9 | R335 P362 | L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.06Å; L333-P362 HydrophobicContact CD1-CB 4.15Å; L333-P362 HydrophobicContact CD2-CB 3.93Å; L333-P362 HydrophobicContact CD2-CG 4.03Å; L333-P362 HydrophobicContact CG-CB 4.4Å; L333-P362 HydrophobicContact CG-CG 4.46Å |
| 334 | G | 83.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 89% | 0.887 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 18.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C332 | C332-G334 PolarHBondContact O-N 2.88Å; C332-G334 VanDerWaalsContact O-N 3.12Å |
| 335 | R | 88.5 | Confident | 89 | Confident | 111 Ų | 111 | 42.5 Ų | 42.5 | 42% | 0.419 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.2 | 173.5 | -66.5 | 176 | -177.9 | 157.7 | -0.2 | 110.2 | E331 C332 L333 Y337 G365 | E331-R335 WeakPolarHBondContact CA-O 3.44Å; C332-R335 PolarHBondContact N-O 2.93Å; C332-R335 WeakPolarHBondContact O-CB 3.39Å; C332-R335 PolarHBondContact O-N 3.02Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.06Å; R335-Y337 HydrophobicContact CB-CE2 3.63Å; R335-Y337 VanDerWaalsContact CD-OH 3.24Å; R335-Y337 WeakPolarHBondContact CD-OH 3.1Å; R335-Y337 WeakPolarHBondContact O-CE2 3.48Å; R335-G365 PolarHBondContact NH1-O 3.2Å |
| 336 | S | 91.6 | Very high | 89.2 | Confident | 20 Ų | 20 | 44 Ų | 44 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.7 | 173.9 | -45.4 | 0 | 0 | 0 | 0 | 111.3 | C311 S312 V330 | C311-S336 WeakPolarHBondContact CA-O 3.38Å; S312-S336 PolarHBondContact N-O 2.86Å; V330-S336 CarbonylContact O-C 3.58Å; V330-S336 WeakPolarHBondContact O-CA 3.26Å |
| 337 | Y | 91.6 | Very high | 89.4 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.2 | 178.4 | -60.1 | -86.9 | 0 | 0 | 0 | 111.5 | A313 I318 V330 C332 R335 Y342 M367 | A313-Y337 HydrophobicContact CB-CD1 3.86Å; A313-Y337 HydrophobicContact CB-CE1 3.95Å; I318-Y337 VanDerWaalsContact CD1-C 3.44Å; V330-Y337 PolarHBondContact N-O 3.06Å; V330-Y337 PolarHBondContact O-N 3.48Å; C332-Y337 HydrophobicContact CB-CE2 4.42Å; R335-Y337 HydrophobicContact CB-CE2 3.63Å; R335-Y337 VanDerWaalsContact CD-OH 3.24Å; R335-Y337 WeakPolarHBondContact CD-OH 3.1Å; R335-Y337 WeakPolarHBondContact O-CE2 3.48Å; Y337-Y342 HydrophobicContact CD2-CD2 4.11Å; Y337-Y342 HydrophobicContact CG-CD2 4.27Å; Y337-M367 HydrophobicContact CD1-CE 4.21Å; Y337-M367 HydrophobicContact CD2-CE 3.95Å; Y337-M367 HydrophobicContact CE1-CE 3.8Å; Y337-M367 HydrophobicContact CE2-CE 3.51Å; Y337-M367 HydrophobicContact CE2-SD 3.9Å; Y337-M367 HydrophobicContact CG-CE 4.28Å; Y337-M367 VanDerWaalsContact CZ-CE 3.43Å |
| 338 | H | 92.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | trans | -60.3 | 147.9 | 160.7 | -57 | 99.4 | 0 | 0 | 0 | 109.7 | C311 C314 Q316 L317 D326 N340 C341 Y342 | C311-H338 WeakPolarHBondContact CB-CE1 3.24Å; C311-H338 WeakPolarHBondContact CB-ND1 3.39Å; C311-H338 PolarHBondContact SG-N 3.4Å; C311-H338 PolarHBondContact SG-ND1 3.05Å; C314-H338 PolarHBondContact SG-CE1 2.92Å; C314-H338 PolarHBondContact SG-ND1 3.01Å; C314-H338 VanDerWaalsContact SG-ND1 3.4Å; Q316-H338 PolarHBondContact O-CE1 2.84Å; L317-H338 PolarHBondContact O-NE2 2.99Å; D326-H338 WeakPolarHBondContact OD1-CB 3.4Å; D326-H338 IonicContact OD1-CD2 3.81Å; D326-H338 PolarHBondContact OD1-CD2 3.25Å; D326-H338 IonicContact OD1-CG 2.66Å; D326-H338 IonicContact OD2-CD2 3.59Å; H338-N340 PolarHBondContact O-N 2.6Å; H338-C341 HydrophobicContact CB-CB 3.95Å; H338-C341 PolarHBondContact O-N 2.98Å; H338-Y342 PolarHBondContact O-N 3.33Å | ||
| 339 | E | 90.2 | Very high | 89.9 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -45 | 173 | 168.3 | 173.2 | -128.6 | 0 | 0 | 112 | Y328 C341 Q350 | Y328-E339 HydrophobicContact CE1-CB 4.3Å; Y328-E339 HydrophobicContact CE1-CG 4.3Å; Y328-E339 VanDerWaalsContact CE1-OE1 3.28Å; Y328-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y328-E339 VanDerWaalsContact OH-CD 3.24Å; Y328-E339 WeakPolarHBondContact OH-CG 3.49Å; Y328-E339 PolarHBondContact OH-OE1 2.73Å; E339-C341 PolarHBondContact O-N 3.06Å; E339-Q350 PolarHBondContact O-NE2 2.94Å |
| 340 | N | 91.3 | Very high | 90 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.1 | -179.9 | -82 | -51.9 | 0 | 0 | 0 | 114.6 | H338 R343 | H338-N340 PolarHBondContact O-N 2.6Å; N340-R343 PolarHBondContact O-NE 3.29Å; N340-R343 PolarHBondContact O-NH2 3.01Å |
| 341 | C | 92.7 | Very high | 89.9 | Confident | 38 Ų | 38 | 51 Ų | 51 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.9 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | C311 A313 H338 E339 R343 | C311-C341 VanDerWaalsContact SG-CB 3.56Å; A313-C341 HydrophobicContact CB-CB 4.14Å; H338-C341 HydrophobicContact CB-CB 3.95Å; H338-C341 PolarHBondContact O-N 2.98Å; E339-C341 PolarHBondContact O-N 3.06Å; C341-R343 VanDerWaalsContact C-N 3.33Å; C341-R343 PolarHBondContact O-N 3.49Å |
| 342 | Y | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | trans | -74.9 | 82.2 | 178.1 | -174.3 | -109.3 | 0 | 0 | 0 | 110.9 | V11 V330 C332 Y337 H338 L351 S352 P353 C360 M367 | V11-Y342 HydrophobicContact CG1-CE2 4.47Å; V11-Y342 WeakPolarHBondContact CG1-OH 3.41Å; V11-Y342 WeakPolarHBondContact CG2-OH 3.29Å; V330-Y342 HydrophobicContact CB-CD2 4.04Å; V330-Y342 HydrophobicContact CB-CG 4.05Å; V330-Y342 HydrophobicContact CG1-CD1 3.91Å; V330-Y342 HydrophobicContact CG1-CD2 3.5Å; V330-Y342 VanDerWaalsContact CG1-CD2 3.5Å; V330-Y342 HydrophobicContact CG1-CE1 3.92Å; V330-Y342 HydrophobicContact CG1-CE2 3.51Å; V330-Y342 HydrophobicContact CG1-CG 3.72Å; V330-Y342 HydrophobicContact CG2-CD1 4.42Å; V330-Y342 HydrophobicContact CG2-CG 4.26Å; C332-Y342 HydrophobicContact CB-CE2 4.06Å; Y337-Y342 HydrophobicContact CD2-CD2 4.11Å; Y337-Y342 HydrophobicContact CG-CD2 4.27Å; H338-Y342 PolarHBondContact O-N 3.33Å; Y342-L351 HydrophobicContact CD1-CB 3.7Å; Y342-L351 WeakPolarHBondContact CD1-O 3.21Å; Y342-L351 HydrophobicContact CE1-CB 3.39Å; Y342-L351 WeakPolarHBondContact CE1-O 3.04Å; Y342-L351 PolarHBondContact O-N 3.45Å; Y342-S352 WeakPolarHBondContact CE1-O 3.43Å; Y342-S352 PolarHBondContact OH-O 3.35Å; Y342-P353 HydrophobicContact CE1-CG 4.39Å; Y342-C360 WeakPolarHBondContact OH-CB 3.38Å; Y342-M367 HydrophobicContact CD2-CE 3.59Å; Y342-M367 HydrophobicContact CD2-SD 4.17Å; Y342-M367 HydrophobicContact CE2-CE 3.7Å; Y342-M367 HydrophobicContact CE2-SD 3.64Å | ||
| 343 | R | 92.7 | Very high | 89.4 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -130.5 | 156.9 | -169.5 | -67.8 | -179.6 | 179 | -73.4 | -19 | 112.8 | N340 C341 G345 G348 I349 Q350 | N340-R343 PolarHBondContact O-NE 3.29Å; N340-R343 PolarHBondContact O-NH2 3.01Å; C341-R343 VanDerWaalsContact C-N 3.33Å; C341-R343 PolarHBondContact O-N 3.49Å; R343-G345 PolarHBondContact O-N 3.45Å; R343-G348 WeakPolarHBondContact CD-O 3.28Å; R343-G348 PolarHBondContact NH1-O 2.81Å; R343-I349 CarbonylContact C-O 3.51Å; R343-I349 VanDerWaalsContact CA-O 3.26Å; R343-I349 WeakPolarHBondContact CA-O 3.38Å; R343-Q350 VanDerWaalsContact NH2-OE1 3.16Å |
| 344 | C | 91.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | trans | -65 | 126.4 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | D346 C347 G348 I349 L351 M367 C369 | C344-D346 VanDerWaalsContact C-N 3.25Å; C344-D346 PolarHBondContact O-N 3.5Å; C344-C347 PolarHBondContact SG-SG 2.76Å; C344-G348 WeakPolarHBondContact O-CA 3.43Å; C344-G348 PolarHBondContact O-N 3.27Å; C344-I349 HydrophobicContact CB-CG2 3.79Å; C344-I349 PolarHBondContact N-O 2.91Å; C344-L351 HydrophobicContact CB-CD2 4.14Å; C344-L351 HydrophobicContact CB-CG 4.46Å; C344-M367 WeakPolarHBondContact CA-O 3.23Å; C344-C369 HydrophobicContact CB-CB 4.21Å; C344-C369 PolarHBondContact SG-N 3.12Å | ||
| 345 | G | 88.3 | Confident | 88.4 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R343 M367 | R343-G345 PolarHBondContact O-N 3.45Å; G345-M367 PolarHBondContact N-O 2.92Å |
| 346 | D | 89.3 | Confident | 87.8 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -31.3 | -176 | -62.8 | -17.8 | 0 | 0 | 0 | 113.4 | C344 L368 C372 | C344-D346 VanDerWaalsContact C-N 3.25Å; C344-D346 PolarHBondContact O-N 3.5Å; D346-L368 HydrophobicContact CB-CD2 4.32Å; D346-L368 VanDerWaalsContact OD2-CD2 3.23Å; D346-L368 WeakPolarHBondContact OD2-CD2 3.26Å; D346-C372 HydrophobicContact CB-CB 4.2Å |
| 347 | C | 91.4 | Very high | 86.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 0.6 | -173.2 | 73.3 | 0 | 0 | 0 | 0 | 115.8 | C344 I349 | C344-C347 PolarHBondContact SG-SG 2.76Å; C347-I349 PolarHBondContact O-N 3.41Å; C347-I349 VanDerWaalsContact SG-CG2 3.59Å |
| 348 | G | 89.4 | Confident | 86.1 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | trans | 69.7 | -2.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R343 C344 | R343-G348 WeakPolarHBondContact CD-O 3.28Å; R343-G348 PolarHBondContact NH1-O 2.81Å; C344-G348 WeakPolarHBondContact O-CA 3.43Å; C344-G348 PolarHBondContact O-N 3.27Å | ||
| 349 | I | 90.9 | Very high | 85.5 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 139.9 | 174.7 | -160.3 | 169.5 | 0 | 0 | 0 | 110.1 | R343 C344 C347 L351 C369 | R343-I349 CarbonylContact C-O 3.51Å; R343-I349 VanDerWaalsContact CA-O 3.26Å; R343-I349 WeakPolarHBondContact CA-O 3.38Å; C344-I349 HydrophobicContact CB-CG2 3.79Å; C344-I349 PolarHBondContact N-O 2.91Å; C347-I349 PolarHBondContact O-N 3.41Å; C347-I349 VanDerWaalsContact SG-CG2 3.59Å; I349-L351 PolarHBondContact O-N 2.86Å; I349-C369 HydrophobicContact CG2-CB 3.83Å |
| 350 | Q | 91 | Very high | 85.3 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 130.3 | 174.5 | -165.2 | 163.8 | -8.9 | 0 | 0 | 109.1 | E339 R343 | E339-Q350 PolarHBondContact O-NE2 2.94Å; R343-Q350 VanDerWaalsContact NH2-OE1 3.16Å |
| 351 | L | 89.6 | Confident | 85.1 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 152.3 | 179.2 | -63.5 | 173.4 | 0 | 0 | 0 | 109.1 | Y342 C344 I349 H358 C360 M367 C369 | Y342-L351 HydrophobicContact CD1-CB 3.7Å; Y342-L351 WeakPolarHBondContact CD1-O 3.21Å; Y342-L351 HydrophobicContact CE1-CB 3.39Å; Y342-L351 WeakPolarHBondContact CE1-O 3.04Å; Y342-L351 PolarHBondContact O-N 3.45Å; C344-L351 HydrophobicContact CB-CD2 4.14Å; C344-L351 HydrophobicContact CB-CG 4.46Å; I349-L351 PolarHBondContact O-N 2.86Å; L351-H358 CarbonylContact C-O 3.6Å; L351-H358 VanDerWaalsContact CA-O 3.28Å; L351-H358 WeakPolarHBondContact CA-O 3.45Å; L351-C360 HydrophobicContact CB-CB 4.44Å; L351-C360 HydrophobicContact CD1-CB 3.91Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; L351-C369 HydrophobicContact CD2-CB 3.64Å |
| 352 | S | 85.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 140.4 | 169.7 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | Y342 E354 N356 H358 | Y342-S352 WeakPolarHBondContact CE1-O 3.43Å; Y342-S352 PolarHBondContact OH-O 3.35Å; S352-E354 PolarHBondContact O-N 3.04Å; S352-E354 PolarHBondContact OG-N 2.61Å; S352-N356 WeakPolarHBondContact CB-ND2 3.4Å; S352-N356 VanDerWaalsContact CB-OD1 3.25Å; S352-N356 WeakPolarHBondContact CB-OD1 3.37Å; S352-N356 PolarHBondContact OG-ND2 2.84Å; S352-H358 PolarHBondContact N-O 3.24Å |
| 353 | P | 79.2 | Confident | 84.4 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 20% | 0.201 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -63.7 | -19.8 | 166.9 | -22.6 | 34.6 | 0 | 0 | 0 | 112.9 | V11 V330 Y342 | V11-P353 HydrophobicContact CG1-CB 4.1Å; V330-P353 HydrophobicContact CG1-CB 4.34Å; V330-P353 HydrophobicContact CG1-CG 4.1Å; V330-P353 HydrophobicContact CG2-CG 3.99Å; Y342-P353 HydrophobicContact CE1-CG 4.39Å |
| 354 | E | 79.1 | Confident | 83.9 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -90.3 | 153.5 | 177.9 | -62.5 | -167.8 | 140.8 | 0 | 0 | 112.7 | S352 N356 G359 | S352-E354 PolarHBondContact O-N 3.04Å; S352-E354 PolarHBondContact OG-N 2.61Å; E354-N356 PolarHBondContact O-N 3.38Å; E354-G359 WeakPolarHBondContact O-CA 3.25Å |
| 355 | P | 69.6 | Low | 83.3 | Confident | 129 Ų | 129 | 66.2 Ų | 66.2 | 84% | 0.838 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -78.3 | 52.9 | 178 | 35.2 | -37.8 | 0 | 0 | 0 | 112.6 | ||
| 356 | N | 74.8 | Confident | 83 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -97.5 | -169.2 | 174 | 62.3 | 46.2 | 0 | 0 | 0 | 111.1 | S352 E354 H358 G359 | S352-N356 WeakPolarHBondContact CB-ND2 3.4Å; S352-N356 VanDerWaalsContact CB-OD1 3.25Å; S352-N356 WeakPolarHBondContact CB-OD1 3.37Å; S352-N356 PolarHBondContact OG-ND2 2.84Å; E354-N356 PolarHBondContact O-N 3.38Å; N356-H358 PolarHBondContact O-N 2.92Å; N356-H358 PolarHBondContact OD1-N 3.34Å; N356-G359 PolarHBondContact O-N 3.02Å; N356-G359 PolarHBondContact OD1-N 2.91Å |
| 357 | E | 71.7 | Confident | 82.9 | Confident | 151 Ų | 151 | 65.2 Ų | 65.2 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.2 | -176.3 | -56.1 | -157.8 | 118.2 | 0 | 0 | 114.1 | ||
| 358 | H | 75.3 | Confident | 82.8 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.1 | 173.3 | -60.2 | 95.8 | 0 | 0 | 0 | 112.4 | L351 S352 N356 | L351-H358 CarbonylContact C-O 3.6Å; L351-H358 VanDerWaalsContact CA-O 3.28Å; L351-H358 WeakPolarHBondContact CA-O 3.45Å; S352-H358 PolarHBondContact N-O 3.24Å; N356-H358 PolarHBondContact O-N 2.92Å; N356-H358 PolarHBondContact OD1-N 3.34Å |
| 359 | G | 81.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 156.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E354 N356 Y361 | E354-G359 WeakPolarHBondContact O-CA 3.25Å; N356-G359 PolarHBondContact O-N 3.02Å; N356-G359 PolarHBondContact OD1-N 2.91Å; G359-Y361 VanDerWaalsContact O-CD2 3.25Å; G359-Y361 WeakPolarHBondContact O-CD2 3.28Å; G359-Y361 WeakPolarHBondContact O-CE2 3.44Å |
| 360 | C | 85.5 | Confident | 82.7 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.2 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | V11 Y342 L351 M367 | V11-C360 HydrophobicContact CG2-CB 4.35Å; Y342-C360 WeakPolarHBondContact OH-CB 3.38Å; L351-C360 HydrophobicContact CB-CB 4.44Å; L351-C360 HydrophobicContact CD1-CB 3.91Å; C360-M367 VanDerWaalsContact SG-CB 3.55Å |
| 361 | Y | 86.8 | Confident | 82.6 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 96.7 | 173.4 | -67.8 | -97.1 | 0 | 0 | 0 | 108.4 | G359 L368 K370 H373 | G359-Y361 VanDerWaalsContact O-CD2 3.25Å; G359-Y361 WeakPolarHBondContact O-CD2 3.28Å; G359-Y361 WeakPolarHBondContact O-CE2 3.44Å; Y361-L368 PolarHBondContact N-O 3.43Å; Y361-L368 PolarHBondContact O-N 2.86Å; Y361-K370 HydrophobicContact CD2-CB 3.93Å; Y361-K370 HydrophobicContact CE2-CB 3.51Å; Y361-K370 HydrophobicContact CE2-CD 4.4Å; Y361-K370 HydrophobicContact CE2-CG 3.88Å; Y361-H373 HydrophobicContact CG-CB 4.37Å |
| 362 | P | 84.7 | Confident | 82.6 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 21% | 0.208 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132.9 | 178.6 | -26.8 | 37.3 | 0 | 0 | 0 | 113.3 | M10 L333 K366 | M10-P362 HydrophobicContact CE-CG 4.44Å; L333-P362 HydrophobicContact CD1-CB 4.15Å; L333-P362 HydrophobicContact CD2-CB 3.93Å; L333-P362 HydrophobicContact CD2-CG 4.03Å; L333-P362 HydrophobicContact CG-CB 4.4Å; L333-P362 HydrophobicContact CG-CG 4.46Å; P362-K366 WeakPolarHBondContact CA-O 3.35Å |
| 363 | L | 86.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 20% | 0.199 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 125.8 | 174.4 | -172.5 | 54.3 | 0 | 0 | 0 | 109.7 | G365 K366 L368 L376 V377 | L363-G365 PolarHBondContact O-N 3.27Å; L363-K366 PolarHBondContact N-O 3.3Å; L363-K366 WeakPolarHBondContact O-CB 3.25Å; L363-K366 PolarHBondContact O-N 3.01Å; L363-L368 HydrophobicContact CB-CD1 4.07Å; L363-L368 HydrophobicContact CD2-CD1 4.23Å; L363-L376 HydrophobicContact CD2-CB 4.23Å; L363-L376 HydrophobicContact CD2-CD2 3.74Å; L363-L376 HydrophobicContact CG-CD2 4.42Å; L363-V377 HydrophobicContact CD2-CG2 3.64Å |
| 364 | E | 81.5 | Confident | 83.3 | Confident | 159 Ų | 159 | 65.4 Ų | 65.4 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 28.6 | -177.7 | -57.1 | -171.8 | 133.6 | 0 | 0 | 114.9 | K366 | E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 2.9Å |
| 365 | G | 77.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 4.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R335 L363 | R335-G365 PolarHBondContact NH1-O 3.2Å; L363-G365 PolarHBondContact O-N 3.27Å |
| 366 | K | 83.1 | Confident | 84.6 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 153.8 | 163.2 | -60.4 | 179.8 | 177.9 | -178.6 | 0 | 110.4 | P362 L363 E364 L368 | P362-K366 WeakPolarHBondContact CA-O 3.35Å; L363-K366 PolarHBondContact N-O 3.3Å; L363-K366 WeakPolarHBondContact O-CB 3.25Å; L363-K366 PolarHBondContact O-N 3.01Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 2.9Å; K366-L368 HydrophobicContact CB-CD2 4.34Å |
| 367 | M | 87.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.3 | 172 | -65.5 | -162.8 | -54.3 | 0 | 0 | 109.5 | C332 Y337 Y342 C344 G345 L351 C360 | C332-M367 HydrophobicContact CB-SD 3.6Å; C332-M367 VanDerWaalsContact CB-SD 3.6Å; Y337-M367 HydrophobicContact CD1-CE 4.21Å; Y337-M367 HydrophobicContact CD2-CE 3.95Å; Y337-M367 HydrophobicContact CE1-CE 3.8Å; Y337-M367 HydrophobicContact CE2-CE 3.51Å; Y337-M367 HydrophobicContact CE2-SD 3.9Å; Y337-M367 HydrophobicContact CG-CE 4.28Å; Y337-M367 VanDerWaalsContact CZ-CE 3.43Å; Y342-M367 HydrophobicContact CD2-CE 3.59Å; Y342-M367 HydrophobicContact CD2-SD 4.17Å; Y342-M367 HydrophobicContact CE2-CE 3.7Å; Y342-M367 HydrophobicContact CE2-SD 3.64Å; C344-M367 WeakPolarHBondContact CA-O 3.23Å; G345-M367 PolarHBondContact N-O 2.92Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; C360-M367 VanDerWaalsContact SG-CB 3.55Å |
| 368 | L | 88.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152.3 | -176 | -56.6 | -178.7 | 0 | 0 | 0 | 110.6 | D346 Y361 L363 K366 C372 H373 L376 | D346-L368 HydrophobicContact CB-CD2 4.32Å; D346-L368 VanDerWaalsContact OD2-CD2 3.23Å; D346-L368 WeakPolarHBondContact OD2-CD2 3.26Å; Y361-L368 PolarHBondContact N-O 3.43Å; Y361-L368 PolarHBondContact O-N 2.86Å; L363-L368 HydrophobicContact CB-CD1 4.07Å; L363-L368 HydrophobicContact CD2-CD1 4.23Å; K366-L368 HydrophobicContact CB-CD2 4.34Å; L368-C372 HydrophobicContact CB-CB 4.28Å; L368-C372 HydrophobicContact CD2-CB 4.49Å; L368-H373 HydrophobicContact CB-CB 4.1Å; L368-H373 HydrophobicContact CD1-CB 4.37Å; L368-L376 HydrophobicContact CD1-CD2 4.19Å |
| 369 | C | 90.1 | Very high | 85.4 | Confident | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.088 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 162.4 | 163.8 | 71.9 | 0 | 0 | 0 | 0 | 110.1 | C344 I349 L351 A371 C372 H373 | C344-C369 HydrophobicContact CB-CB 4.21Å; C344-C369 PolarHBondContact SG-N 3.12Å; I349-C369 HydrophobicContact CG2-CB 3.83Å; L351-C369 HydrophobicContact CD2-CB 3.64Å; C369-A371 PolarHBondContact O-N 3.39Å; C369-A371 VanDerWaalsContact O-N 3.11Å; C369-C372 PolarHBondContact O-N 3.07Å; C369-C372 VanDerWaalsContact O-N 3.17Å; C369-C372 VanDerWaalsContact SG-SG 3.64Å; C369-H373 WeakPolarHBondContact O-CB 3.39Å; C369-H373 PolarHBondContact O-N 3.36Å |
| 370 | K | 87.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -47.3 | -42.6 | -179.8 | -168 | 177.2 | 175.9 | -175.1 | 0 | 113.6 | Y361 V374 | Y361-K370 HydrophobicContact CD2-CB 3.93Å; Y361-K370 HydrophobicContact CE2-CB 3.51Å; Y361-K370 HydrophobicContact CE2-CD 4.4Å; Y361-K370 HydrophobicContact CE2-CG 3.88Å; K370-V374 WeakPolarHBondContact O-CG2 3.5Å; K370-V374 PolarHBondContact O-N 3.41Å; K370-V374 VanDerWaalsContact O-N 3.13Å |
| 371 | A | 88.9 | Confident | 82.6 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 54% | 0.537 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.5 | -53 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C369 H373 V374 S375 | C369-A371 PolarHBondContact O-N 3.39Å; C369-A371 VanDerWaalsContact O-N 3.11Å; A371-H373 VanDerWaalsContact C-N 3.32Å; A371-H373 PolarHBondContact O-N 2.9Å; A371-V374 PolarHBondContact O-N 2.94Å; A371-S375 PolarHBondContact O-N 3.35Å; A371-S375 PolarHBondContact O-OG 3.17Å |
| 372 | C | 89.8 | Confident | 82.4 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.6 | -66.4 | 0 | 0 | 0 | 0 | 112 | D346 L368 C369 S375 L376 | D346-C372 HydrophobicContact CB-CB 4.2Å; L368-C372 HydrophobicContact CB-CB 4.28Å; L368-C372 HydrophobicContact CD2-CB 4.49Å; C369-C372 PolarHBondContact O-N 3.07Å; C369-C372 VanDerWaalsContact O-N 3.17Å; C369-C372 VanDerWaalsContact SG-SG 3.64Å; C372-S375 PolarHBondContact O-N 3.39Å; C372-L376 WeakPolarHBondContact O-CB 3.47Å; C372-L376 PolarHBondContact O-N 3.3Å |
| 373 | H | 88.7 | Confident | 82.3 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 21% | 0.213 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 174.9 | 177 | -82.8 | 0 | 0 | 0 | 112.3 | Y361 L368 C369 A371 L376 V377 | Y361-H373 HydrophobicContact CG-CB 4.37Å; L368-H373 HydrophobicContact CB-CB 4.1Å; L368-H373 HydrophobicContact CD1-CB 4.37Å; C369-H373 WeakPolarHBondContact O-CB 3.39Å; C369-H373 PolarHBondContact O-N 3.36Å; A371-H373 VanDerWaalsContact C-N 3.32Å; A371-H373 PolarHBondContact O-N 2.9Å; H373-L376 PolarHBondContact O-N 3.48Å; H373-V377 WeakPolarHBondContact O-CG2 3.33Å; H373-V377 PolarHBondContact O-N 2.88Å |
| 374 | V | 89.3 | Confident | 82 | Confident | 79 Ų | 79 | 75.3 Ų | 75.3 | 48% | 0.479 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111 | K370 A371 L376 V377 S378 | K370-V374 WeakPolarHBondContact O-CG2 3.5Å; K370-V374 PolarHBondContact O-N 3.41Å; K370-V374 VanDerWaalsContact O-N 3.13Å; A371-V374 PolarHBondContact O-N 2.94Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 3.29Å; V374-V377 PolarHBondContact O-N 2.95Å; V374-S378 VanDerWaalsContact O-CB 3.31Å; V374-S378 WeakPolarHBondContact O-CB 3.36Å; V374-S378 PolarHBondContact O-N 3.28Å; V374-S378 PolarHBondContact O-OG 3.13Å |
| 375 | S | 89.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 62% | 0.622 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | 177 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | A371 C372 G379 | A371-S375 PolarHBondContact O-N 3.35Å; A371-S375 PolarHBondContact O-OG 3.17Å; C372-S375 PolarHBondContact O-N 3.39Å; S375-G379 PolarHBondContact O-N 3.11Å; S375-G379 VanDerWaalsContact O-N 3.12Å |
| 376 | L | 87.2 | Confident | 82.4 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.277 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 178.8 | -150.9 | 79.4 | 0 | 0 | 0 | 111.4 | L363 L368 C372 H373 V374 G379 Q380 | L363-L376 HydrophobicContact CD2-CB 4.23Å; L363-L376 HydrophobicContact CD2-CD2 3.74Å; L363-L376 HydrophobicContact CG-CD2 4.42Å; L368-L376 HydrophobicContact CD1-CD2 4.19Å; C372-L376 WeakPolarHBondContact O-CB 3.47Å; C372-L376 PolarHBondContact O-N 3.3Å; H373-L376 PolarHBondContact O-N 3.48Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 3.29Å; L376-G379 PolarHBondContact O-N 3.02Å; L376-Q380 WeakPolarHBondContact O-CG 3.31Å |
| 377 | V | 87 | Confident | 82.3 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | L363 H373 V374 G379 | L363-V377 HydrophobicContact CD2-CG2 3.64Å; H373-V377 WeakPolarHBondContact O-CG2 3.33Å; H373-V377 PolarHBondContact O-N 2.88Å; V374-V377 PolarHBondContact O-N 2.95Å; V377-G379 VanDerWaalsContact C-N 3.27Å; V377-G379 PolarHBondContact O-N 3.18Å |
| 378 | S | 83.3 | Confident | 81.9 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 60% | 0.601 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.3 | -14.1 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | V374 | V374-S378 VanDerWaalsContact O-CB 3.31Å; V374-S378 WeakPolarHBondContact O-CB 3.36Å; V374-S378 PolarHBondContact O-N 3.28Å; V374-S378 PolarHBondContact O-OG 3.13Å |
| 379 | G | 69.4 | Low | 81.4 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S375 L376 V377 | S375-G379 PolarHBondContact O-N 3.11Å; S375-G379 VanDerWaalsContact O-N 3.12Å; L376-G379 PolarHBondContact O-N 3.02Å; V377-G379 VanDerWaalsContact C-N 3.27Å; V377-G379 PolarHBondContact O-N 3.18Å |
| 380 | Q | 60.1 | Low | 80.7 | Confident | 131 Ų | 131 | 85.9 Ų | 85.9 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | trans | -103.5 | 22.1 | -178.6 | -73.8 | -177.2 | -16.5 | 0 | 0 | 113.4 | L376 | L376-Q380 WeakPolarHBondContact O-CG 3.31Š| ||
| 381 | Q | 47.4 | Very low | 80 | Confident | 239 Ų | 239 | 85.1 Ų | 85.1 | 100% | 1.117 | 51% | 0.513 | S | S | * | . | trans | -129.4 | 0 | -164.2 | -163.6 | 151.9 | 110.6 | 0 | 0 | 113.8 |
Retrieved 381 of 381 residues in 52.1 ms
(Link to these results)