| 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 | 35.7 | Very low | 36.9 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 100% | 1.187 | 80% | 0.803 | S | S | * | * | 0 | 81.3 | 0 | -79.4 | 170.1 | 158 | 0 | 0 | 107.5 | |||||
| 2 | R | 33.8 | Very low | 37.7 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | 48.8 | 93.2 | 106.6 | -79.3 | -168.3 | -179.4 | 178.5 | 0.4 | 113.6 | |||||
| 3 | L | 31.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -128.6 | 71.2 | 150.3 | -85.9 | 165.8 | 0 | 0 | 0 | 107.7 | ||||
| 4 | L | 39.2 | Very low | 40.2 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -86.9 | 96.6 | 153 | -91.5 | 150.6 | 0 | 0 | 0 | 104.6 | ||||
| 5 | S | 38.3 | Very low | 42.6 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | -118.1 | 109.8 | 177 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | A | 36.5 | Very low | 45.2 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | 69.1 | 81.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 7 | L | 36.8 | Very low | 47.5 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | trans | -98.1 | 131.4 | 147.7 | -70.2 | 173 | 0 | 0 | 0 | 108 | ||||
| 8 | P | 35.3 | Very low | 49.9 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | trans | -62.6 | 137.3 | 177.8 | 23.4 | -30.6 | 0 | 0 | 0 | 111.5 | N10 | P8-N10 PolarHBondContact O-N 3.17Š| ||
| 9 | E | 38.9 | Very low | 52 | Low | 202 Ų | 202 | 125 Ų | 125 | 94% | 0.944 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 29.7 | -165 | -65.8 | -177.6 | 138.7 | 0 | 0 | 116.7 | ||
| 10 | N | 38.5 | Very low | 53.8 | Low | 168 Ų | 168 | 120.8 Ų | 120.8 | 90% | 0.898 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 25.2 | 177.1 | -130 | 4.9 | 0 | 0 | 0 | 114.2 | P8 | P8-N10 PolarHBondContact O-N 3.17Š|
| 11 | M | 41.5 | Very low | 55.5 | Low | 71 Ų | 71 | 117.4 Ų | 117.4 | 35% | 0.35 | 64% | 0.639 | S | S | . | * | trans | -98.7 | 101.3 | -174.9 | -144.6 | 159.1 | 122.1 | 0 | 0 | 110.4 | L14 M51 | M11-L14 HydrophobicContact CE-CD1 4.05Å; M11-L14 HydrophobicContact CE-CD2 3.18Å; M11-L14 HydrophobicContact CE-CG 3.54Å; M11-M51 HydrophobicContact CE-CE 4.04Å; M11-M51 HydrophobicContact CE-SD 3.72Å; M11-M51 HydrophobicContact SD-CE 3.79Å; M11-M51 HydrophobicContact SD-SD 4.21Å | ||
| 12 | S | 46.2 | Very low | 58 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | trans | -51.9 | 150.7 | 163.4 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | L14 | S12-L14 PolarHBondContact O-N 2.69Š| ||
| 13 | P | 47.9 | Very low | 60.4 | Low | 119 Ų | 119 | 100.6 Ų | 100.6 | 77% | 0.773 | 57% | 0.567 | S | S | * | * | trans | -52.1 | 133.3 | -164 | 20.9 | -33 | 0 | 0 | 0 | 112.2 | R15 | P13-R15 VanDerWaalsContact C-N 3.31Å; P13-R15 PolarHBondContact O-N 3.46Å | ||
| 14 | L | 62.3 | Low | 62.9 | Low | 85 Ų | 85 | 93.7 Ų | 93.7 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | trans | -52.2 | 89.7 | 175.1 | -81.3 | 162.9 | 0 | 0 | 0 | 110.3 | M11 S12 L16 Y49 M51 | M11-L14 HydrophobicContact CE-CD1 4.05Å; M11-L14 HydrophobicContact CE-CD2 3.18Å; M11-L14 HydrophobicContact CE-CG 3.54Å; S12-L14 PolarHBondContact O-N 2.69Å; L14-L16 PolarHBondContact O-N 3.28Å; L14-Y49 HydrophobicContact CB-CD1 3.8Å; L14-Y49 HydrophobicContact CB-CE1 4.12Å; L14-Y49 HydrophobicContact CD2-CD1 3.76Å; L14-Y49 HydrophobicContact CD2-CE1 4.48Å; L14-Y49 HydrophobicContact CD2-CG 3.85Å; L14-Y49 HydrophobicContact CG-CD1 4.32Å; L14-M51 HydrophobicContact CD2-SD 4.45Å | ||
| 15 | R | 77 | Confident | 65.2 | Low | 131 Ų | 131 | 87.7 Ų | 87.7 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 111.9 | 176.7 | -176.4 | 177.5 | 173 | -173.5 | -1.6 | 107.9 | P13 E21 V50 | P13-R15 VanDerWaalsContact C-N 3.31Å; P13-R15 PolarHBondContact O-N 3.46Å; R15-E21 IonicContact CZ-OE1 3.55Å; R15-E21 IonicContact NE-OE1 2.63Å; R15-E21 PolarHBondContact NE-OE1 3.43Å; R15-E21 IonicContact NH2-OE1 3.75Å; R15-E21 PolarHBondContact NH2-OE1 2.81Å; R15-V50 HydrophobicContact CB-CB 4.47Å; R15-V50 WeakPolarHBondContact O-CG2 3.32Å; R15-V50 PolarHBondContact O-N 3.05Å |
| 16 | L | 83.8 | Confident | 67.2 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.8 | 169.1 | -162.9 | 79.9 | 0 | 0 | 0 | 108.5 | L14 G48 Y49 | L14-L16 PolarHBondContact O-N 3.28Å; L16-G48 CarbonylContact C-O 3.58Å; L16-G48 WeakPolarHBondContact CA-O 3.14Å; L16-Y49 HydrophobicContact CD1-CD1 4.02Å; L16-Y49 HydrophobicContact CD1-CE1 3.69Å; L16-Y49 HydrophobicContact CD1-CE2 4.36Å |
| 17 | C | 84.6 | Confident | 69.2 | Low | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.014 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.1 | 174.9 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | E21 L23 S44 A47 G48 V50 V64 | C17-E21 WeakPolarHBondContact CA-OE2 3.39Å; C17-E21 WeakPolarHBondContact CB-OE2 3.48Å; C17-L23 HydrophobicContact CB-CD2 4.33Å; C17-S44 PolarHBondContact SG-OG 2.94Å; C17-A47 WeakPolarHBondContact O-CA 3.45Å; C17-G48 PolarHBondContact N-O 2.87Å; C17-G48 PolarHBondContact O-N 3.37Å; C17-G48 VanDerWaalsContact O-N 3.09Å; C17-G48 PolarHBondContact SG-O 2.95Å; C17-V50 HydrophobicContact CB-CG2 3.75Å; C17-V64 WeakPolarHBondContact SG-CG1 3.47Å |
| 18 | V | 89.8 | Confident | 71.3 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | trans | -109.3 | 154.2 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | G20 E21 S44 | V18-G20 PolarHBondContact O-N 2.81Å; V18-E21 HydrophobicContact CG2-CB 4.19Å; V18-E21 PolarHBondContact N-OE2 3.09Å; V18-E21 VanDerWaalsContact N-OE2 3.17Å; V18-E21 VanDerWaalsContact O-CB 3.25Å; V18-E21 WeakPolarHBondContact O-CB 3.25Å; V18-E21 PolarHBondContact O-N 2.94Å; V18-S44 WeakPolarHBondContact O-CB 3.29Å | ||
| 19 | P | 89.9 | Confident | 73.5 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 129.2 | 174 | -23.2 | 33.2 | 0 | 0 | 0 | 110.9 | S44 A47 | P19-S44 CarbonylContact C-O 3.48Å; P19-S44 WeakPolarHBondContact CA-O 3.46Å; P19-A47 HydrophobicContact CG-CB 4.28Å |
| 20 | G | 87.8 | Confident | 75.6 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 42% | 0.423 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -4.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V18 Y43 S44 | V18-G20 PolarHBondContact O-N 2.81Å; G20-Y43 WeakPolarHBondContact O-CD1 3.4Å; G20-S44 PolarHBondContact N-O 3.29Å |
| 21 | E | 89.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | trans | -70.7 | 136.3 | 174.9 | -169.9 | 175.3 | 165.1 | 0 | 0 | 111.5 | R15 C17 V18 Y43 S44 | R15-E21 IonicContact CZ-OE1 3.55Å; R15-E21 IonicContact NE-OE1 2.63Å; R15-E21 PolarHBondContact NE-OE1 3.43Å; R15-E21 IonicContact NH2-OE1 3.75Å; R15-E21 PolarHBondContact NH2-OE1 2.81Å; C17-E21 WeakPolarHBondContact CA-OE2 3.39Å; C17-E21 WeakPolarHBondContact CB-OE2 3.48Å; V18-E21 HydrophobicContact CG2-CB 4.19Å; V18-E21 PolarHBondContact N-OE2 3.09Å; V18-E21 VanDerWaalsContact N-OE2 3.17Å; V18-E21 VanDerWaalsContact O-CB 3.25Å; V18-E21 WeakPolarHBondContact O-CB 3.25Å; V18-E21 PolarHBondContact O-N 2.94Å; E21-Y43 CarbonylContact O-C 3.6Å; E21-Y43 VanDerWaalsContact O-CA 3.29Å; E21-Y43 WeakPolarHBondContact O-CA 3.3Å; E21-S44 PolarHBondContact O-N 2.76Å | ||
| 22 | K | 88.6 | Confident | 79.9 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.8 | 177.3 | -179.2 | -179.9 | 173.4 | 173.3 | 0 | 110.2 | Y41 Y43 | K22-Y41 HydrophobicContact CD-CD1 4.34Å; K22-Y43 HydrophobicContact CB-CD1 4.17Å; K22-Y43 HydrophobicContact CB-CE1 3.93Å; K22-Y43 HydrophobicContact CG-CE1 4.37Å |
| 23 | L | 85.4 | Confident | 81.7 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -57.6 | -175.9 | -62.1 | 173.1 | 0 | 0 | 0 | 112.4 | C17 V35 I42 V50 I62 V64 | C17-L23 HydrophobicContact CB-CD2 4.33Å; L23-V35 HydrophobicContact CD1-CG1 3.46Å; L23-V35 VanDerWaalsContact CD1-CG1 3.46Å; L23-I42 PolarHBondContact N-O 3.11Å; L23-V50 HydrophobicContact CD2-CG1 4.46Å; L23-V50 HydrophobicContact CD2-CG2 3.69Å; L23-I62 HydrophobicContact CB-CD1 4.47Å; L23-I62 HydrophobicContact CD1-CG2 3.87Å; L23-V64 HydrophobicContact CD1-CG2 3.88Å |
| 24 | C | 83.6 | Confident | 83.5 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 164.5 | -171.8 | -161.8 | 0 | 0 | 0 | 0 | 112.1 | D28 C29 I42 I62 | C24-D28 VanDerWaalsContact SG-CB 3.6Å; C24-C29 HydrophobicContact CB-CB 3.66Å; C24-C29 WeakPolarHBondContact CB-SG 3.24Å; C24-C29 WeakPolarHBondContact SG-CB 3.42Å; C24-C29 CovalentContact SG-SG 2.06Å; C24-C29 PolarHBondContact SG-SG 2.86Å; C24-I42 PolarHBondContact O-N 3.46Å; C24-I62 HydrophobicContact CB-CD1 3.45Å; C24-I62 VanDerWaalsContact CB-CD1 3.45Å |
| 25 | S | 87 | Confident | 84.9 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 152.4 | 169.7 | -169 | 0 | 0 | 0 | 0 | 110.3 | G27 D28 C29 | S25-G27 PolarHBondContact O-N 2.65Å; S25-D28 PolarHBondContact O-N 3.33Å; S25-D28 VanDerWaalsContact O-N 3.14Å; S25-C29 PolarHBondContact O-N 2.9Å |
| 26 | V | 80.4 | Confident | 85.4 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.8 | -177.3 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | Q37 G40 I42 | V26-Q37 HydrophobicContact CG2-CG 3.68Å; V26-G40 VanDerWaalsContact CG2-C 3.4Å; V26-G40 WeakPolarHBondContact CG2-O 3.27Å; V26-G40 PolarHBondContact N-O 3.36Å; V26-I42 HydrophobicContact CG2-CG1 4.3Å |
| 27 | G | 78.3 | Confident | 85.8 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -18.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | S25 L59 | S25-G27 PolarHBondContact O-N 2.65Å; G27-L59 WeakPolarHBondContact O-CD2 3.46Å |
| 28 | D | 82.2 | Confident | 86 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -13.5 | -170.2 | -58.3 | -39.6 | 0 | 0 | 0 | 112.9 | C24 S25 P60 | C24-D28 VanDerWaalsContact SG-CB 3.6Å; S25-D28 PolarHBondContact O-N 3.33Å; S25-D28 VanDerWaalsContact O-N 3.14Å; D28-P60 VanDerWaalsContact O-CD 3.3Å; D28-P60 WeakPolarHBondContact O-CD 3.48Å; D28-P60 WeakPolarHBondContact O-CG 3.01Å |
| 29 | C | 79.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | trans | -153.6 | 144.8 | -170.1 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | C24 S25 I42 P60 I62 | C24-C29 HydrophobicContact CB-CB 3.66Å; C24-C29 WeakPolarHBondContact CB-SG 3.24Å; C24-C29 WeakPolarHBondContact SG-CB 3.42Å; C24-C29 CovalentContact SG-SG 2.06Å; C24-C29 PolarHBondContact SG-SG 2.86Å; S25-C29 PolarHBondContact O-N 2.9Å; C29-I42 HydrophobicContact CB-CD1 4.18Å; C29-I42 WeakPolarHBondContact O-CD1 3.42Å; C29-P60 CarbonylContact C-O 3.59Å; C29-P60 VanDerWaalsContact CA-O 3.31Å; C29-P60 WeakPolarHBondContact CA-O 3.35Å; C29-I62 HydrophobicContact CB-CD1 3.74Å; C29-I62 HydrophobicContact CB-CG1 4.07Å; C29-I62 WeakPolarHBondContact SG-CD1 3.23Å | ||
| 30 | N | 84.6 | Confident | 85.5 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 151.5 | 172.3 | -78.3 | -30.8 | 0 | 0 | 0 | 112 | L59 P60 V61 I62 | N30-L59 PolarHBondContact ND2-O 3.14Å; N30-P60 PolarHBondContact N-O 2.96Å; N30-V61 HydrophobicContact CB-CG2 3.94Å; N30-I62 PolarHBondContact O-N 2.88Å |
| 31 | Q | 84.3 | Confident | 85.6 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.1 | -176.9 | -167 | -175.2 | -11.6 | 0 | 0 | 111.4 | V35 Y36 | Q31-V35 HydrophobicContact CB-CG2 4.46Å; Q31-V35 HydrophobicContact CG-CG2 3.54Å; Q31-V35 PolarHBondContact NE2-O 2.83Å; Q31-Y36 VanDerWaalsContact NE2-CA 3.34Å |
| 32 | G | 85.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | trans | -103.2 | -164.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V35 I62 | G32-V35 WeakPolarHBondContact O-CG2 3.43Å; G32-I62 VanDerWaalsContact CA-O 3.23Å; G32-I62 WeakPolarHBondContact CA-O 3.11Å; G32-I62 PolarHBondContact N-O 3.01Å | ||
| 33 | T | 84.8 | Confident | 85.7 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 140 | 176 | -44.5 | 0 | 0 | 0 | 0 | 111.3 | S63 V64 | T33-S63 CarbonylContact O-C 3.51Å; T33-S63 VanDerWaalsContact O-CA 3.3Å; T33-S63 WeakPolarHBondContact O-CA 3.4Å; T33-V64 PolarHBondContact O-N 2.93Å |
| 34 | G | 85.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 12.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S45 | G34-S45 PolarHBondContact O-N 2.87Å; G34-S45 PolarHBondContact O-OG 2.82Å |
| 35 | V | 90.3 | Very high | 86.1 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.3 | 175.1 | -65 | 0 | 0 | 0 | 0 | 111.1 | L23 Q31 G32 I42 Y43 I62 V64 | L23-V35 HydrophobicContact CD1-CG1 3.46Å; L23-V35 VanDerWaalsContact CD1-CG1 3.46Å; Q31-V35 HydrophobicContact CB-CG2 4.46Å; Q31-V35 HydrophobicContact CG-CG2 3.54Å; Q31-V35 PolarHBondContact NE2-O 2.83Å; G32-V35 WeakPolarHBondContact O-CG2 3.43Å; V35-I42 HydrophobicContact CB-CG2 3.75Å; V35-I42 HydrophobicContact CG1-CG2 4.26Å; V35-I42 HydrophobicContact CG2-CG2 4.05Å; V35-Y43 CarbonylContact C-O 3.55Å; V35-Y43 VanDerWaalsContact CA-O 3.27Å; V35-Y43 WeakPolarHBondContact CA-O 3.3Å; V35-Y43 WeakPolarHBondContact CB-O 3.35Å; V35-I62 HydrophobicContact CG1-CG2 4.29Å; V35-I62 WeakPolarHBondContact CG2-O 3.3Å; V35-V64 HydrophobicContact CG1-CB 4.36Å; V35-V64 HydrophobicContact CG1-CG2 3.63Å |
| 36 | Y | 89.1 | Confident | 86 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.8 | 175.2 | 71.9 | -83.1 | 0 | 0 | 0 | 111.6 | Q31 R38 Y43 S44 | Q31-Y36 VanDerWaalsContact NE2-CA 3.34Å; Y36-R38 HydrophobicContact CD2-CB 4.21Å; Y36-R38 HydrophobicContact CE2-CB 3.96Å; Y36-Y43 HydrophobicContact CE2-CD2 4.12Å; Y36-Y43 HydrophobicContact CE2-CG 4.27Å; Y36-Y43 VanDerWaalsContact CZ-CB 3.44Å; Y36-Y43 PolarHBondContact N-O 2.83Å; Y36-Y43 PolarHBondContact O-N 2.86Å; Y36-S44 WeakPolarHBondContact CE1-O 3.11Å |
| 37 | Q | 90.3 | Very high | 86.2 | Confident | 105 Ų | 105 | 62 Ų | 62 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.4 | 176.5 | -173.1 | -175.1 | 0.6 | 0 | 0 | 110.6 | V26 Y41 | V26-Q37 HydrophobicContact CG2-CG 3.68Å; Q37-Y41 CarbonylContact C-O 3.54Å; Q37-Y41 WeakPolarHBondContact CA-O 3.42Å |
| 38 | R | 89.5 | Confident | 86.6 | Confident | 145 Ų | 145 | 59.7 Ų | 59.7 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 129.6 | 172.4 | -165.5 | -177.2 | 173.3 | 168.9 | 0.6 | 110.5 | Y36 G40 Y41 Y43 | Y36-R38 HydrophobicContact CD2-CB 4.21Å; Y36-R38 HydrophobicContact CE2-CB 3.96Å; R38-G40 VanDerWaalsContact C-N 3.32Å; R38-G40 PolarHBondContact O-N 3.07Å; R38-Y41 PolarHBondContact N-O 3.35Å; R38-Y41 PolarHBondContact O-N 3.2Å; R38-Y41 VanDerWaalsContact O-O 3.13Å; R38-Y43 HydrophobicContact CB-CD2 3.91Å; R38-Y43 HydrophobicContact CB-CE2 3.86Å; R38-Y43 WeakPolarHBondContact O-CE2 3.1Å |
| 39 | H | 84.6 | Confident | 86.7 | Confident | 151 Ų | 151 | 58 Ų | 58 | 70% | 0.699 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 44.4 | 177.5 | -56.4 | -62.8 | 0 | 0 | 0 | 114.7 | Y41 | H39-Y41 VanDerWaalsContact C-N 3.27Å; H39-Y41 VanDerWaalsContact O-CD2 3.3Å; H39-Y41 WeakPolarHBondContact O-CD2 3.19Å; H39-Y41 PolarHBondContact O-N 3.23Å |
| 40 | G | 84.9 | Confident | 87 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 4.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V26 R38 | V26-G40 VanDerWaalsContact CG2-C 3.4Å; V26-G40 WeakPolarHBondContact CG2-O 3.27Å; V26-G40 PolarHBondContact N-O 3.36Å; R38-G40 VanDerWaalsContact C-N 3.32Å; R38-G40 PolarHBondContact O-N 3.07Å |
| 41 | Y | 89.4 | Confident | 86.8 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.2 | 176.7 | -63.2 | -73.8 | 0 | 0 | 0 | 111.6 | K22 Q37 R38 H39 | K22-Y41 HydrophobicContact CD-CD1 4.34Å; Q37-Y41 CarbonylContact C-O 3.54Å; Q37-Y41 WeakPolarHBondContact CA-O 3.42Å; R38-Y41 PolarHBondContact N-O 3.35Å; R38-Y41 PolarHBondContact O-N 3.2Å; R38-Y41 VanDerWaalsContact O-O 3.13Å; H39-Y41 VanDerWaalsContact C-N 3.27Å; H39-Y41 VanDerWaalsContact O-CD2 3.3Å; H39-Y41 WeakPolarHBondContact O-CD2 3.19Å; H39-Y41 PolarHBondContact O-N 3.23Å |
| 42 | I | 90.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.4 | 175.3 | -59.8 | 173.7 | 0 | 0 | 0 | 108.6 | L23 C24 V26 C29 V35 | L23-I42 PolarHBondContact N-O 3.11Å; C24-I42 PolarHBondContact O-N 3.46Å; V26-I42 HydrophobicContact CG2-CG1 4.3Å; C29-I42 HydrophobicContact CB-CD1 4.18Å; C29-I42 WeakPolarHBondContact O-CD1 3.42Å; V35-I42 HydrophobicContact CB-CG2 3.75Å; V35-I42 HydrophobicContact CG1-CG2 4.26Å; V35-I42 HydrophobicContact CG2-CG2 4.05Å |
| 43 | Y | 90.3 | Very high | 86.3 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.8 | 178.7 | -64.1 | -88.8 | 0 | 0 | 0 | 110.7 | G20 E21 K22 V35 Y36 R38 | G20-Y43 WeakPolarHBondContact O-CD1 3.4Å; E21-Y43 CarbonylContact O-C 3.6Å; E21-Y43 VanDerWaalsContact O-CA 3.29Å; E21-Y43 WeakPolarHBondContact O-CA 3.3Å; K22-Y43 HydrophobicContact CB-CD1 4.17Å; K22-Y43 HydrophobicContact CB-CE1 3.93Å; K22-Y43 HydrophobicContact CG-CE1 4.37Å; V35-Y43 CarbonylContact C-O 3.55Å; V35-Y43 VanDerWaalsContact CA-O 3.27Å; V35-Y43 WeakPolarHBondContact CA-O 3.3Å; V35-Y43 WeakPolarHBondContact CB-O 3.35Å; Y36-Y43 HydrophobicContact CE2-CD2 4.12Å; Y36-Y43 HydrophobicContact CE2-CG 4.27Å; Y36-Y43 VanDerWaalsContact CZ-CB 3.44Å; Y36-Y43 PolarHBondContact N-O 2.83Å; Y36-Y43 PolarHBondContact O-N 2.86Å; R38-Y43 HydrophobicContact CB-CD2 3.91Å; R38-Y43 HydrophobicContact CB-CE2 3.86Å; R38-Y43 WeakPolarHBondContact O-CE2 3.1Å |
| 44 | S | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.4 | 171.5 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | C17 V18 P19 G20 E21 Y36 L46 | C17-S44 PolarHBondContact SG-OG 2.94Å; V18-S44 WeakPolarHBondContact O-CB 3.29Å; P19-S44 CarbonylContact C-O 3.48Å; P19-S44 WeakPolarHBondContact CA-O 3.46Å; G20-S44 PolarHBondContact N-O 3.29Å; E21-S44 PolarHBondContact O-N 2.76Å; Y36-S44 WeakPolarHBondContact CE1-O 3.11Å; S44-L46 PolarHBondContact OG-N 2.99Å; S44-L46 PolarHBondContact OG-O 2.78Å |
| 45 | S | 87.3 | Confident | 85.1 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -92.4 | -15.6 | 167.3 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | G34 | G34-S45 PolarHBondContact O-N 2.87Å; G34-S45 PolarHBondContact O-OG 2.82Å |
| 46 | L | 85.1 | Confident | 84 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -120.9 | 149.2 | -174.8 | -62.3 | 177.2 | 0 | 0 | 0 | 111.5 | S44 V64 | S44-L46 PolarHBondContact OG-N 2.99Å; S44-L46 PolarHBondContact OG-O 2.78Å; L46-V64 HydrophobicContact CB-CG1 4.04Å |
| 47 | A | 86.2 | Confident | 82.6 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -78.7 | 125.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | C17 P19 R66 | C17-A47 WeakPolarHBondContact O-CA 3.45Å; P19-A47 HydrophobicContact CG-CB 4.28Å; A47-R66 VanDerWaalsContact O-CG 3.24Å; A47-R66 WeakPolarHBondContact O-CG 3.31Å |
| 48 | G | 86 | Confident | 81.6 | Confident | 6 Ų | 6 | 82.5 Ų | 82.5 | 6% | 0.062 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -162.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L16 C17 V65 | L16-G48 CarbonylContact C-O 3.58Å; L16-G48 WeakPolarHBondContact CA-O 3.14Å; C17-G48 PolarHBondContact N-O 2.87Å; C17-G48 PolarHBondContact O-N 3.37Å; C17-G48 VanDerWaalsContact O-N 3.09Å; C17-G48 PolarHBondContact SG-O 2.95Å; G48-V65 WeakPolarHBondContact CA-O 3.41Å |
| 49 | Y | 84.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.6 | 178.5 | -63.6 | -76.9 | 0 | 0 | 0 | 110.6 | L14 L16 M51 V64 V65 E67 | L14-Y49 HydrophobicContact CB-CD1 3.8Å; L14-Y49 HydrophobicContact CB-CE1 4.12Å; L14-Y49 HydrophobicContact CD2-CD1 3.76Å; L14-Y49 HydrophobicContact CD2-CE1 4.48Å; L14-Y49 HydrophobicContact CD2-CG 3.85Å; L14-Y49 HydrophobicContact CG-CD1 4.32Å; L16-Y49 HydrophobicContact CD1-CD1 4.02Å; L16-Y49 HydrophobicContact CD1-CE1 3.69Å; L16-Y49 HydrophobicContact CD1-CE2 4.36Å; Y49-M51 PolarHBondContact O-N 2.97Å; Y49-V64 WeakPolarHBondContact O-CA 3.1Å; Y49-V65 PolarHBondContact N-O 2.87Å; Y49-V65 PolarHBondContact O-N 2.84Å; Y49-E67 HydrophobicContact CD2-CB 4.33Å; Y49-E67 HydrophobicContact CD2-CG 4.5Å; Y49-E67 HydrophobicContact CE2-CB 3.8Å; Y49-E67 HydrophobicContact CE2-CG 3.79Å |
| 50 | V | 85 | Confident | 80.8 | Confident | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.7 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | R15 C17 L23 I62 V64 | R15-V50 HydrophobicContact CB-CB 4.47Å; R15-V50 WeakPolarHBondContact O-CG2 3.32Å; R15-V50 PolarHBondContact O-N 3.05Å; C17-V50 HydrophobicContact CB-CG2 3.75Å; L23-V50 HydrophobicContact CD2-CG1 4.46Å; L23-V50 HydrophobicContact CD2-CG2 3.69Å; V50-I62 HydrophobicContact CG1-CG2 3.81Å; V50-V64 HydrophobicContact CG2-CG2 4.26Å |
| 51 | M | 80.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.7 | 173.6 | -65.4 | -64.2 | -71.3 | 0 | 0 | 108.6 | M11 L14 Y49 S63 V65 | M11-M51 HydrophobicContact CE-CE 4.04Å; M11-M51 HydrophobicContact CE-SD 3.72Å; M11-M51 HydrophobicContact SD-CE 3.79Å; M11-M51 HydrophobicContact SD-SD 4.21Å; L14-M51 HydrophobicContact CD2-SD 4.45Å; Y49-M51 PolarHBondContact O-N 2.97Å; M51-S63 PolarHBondContact N-O 3.42Å; M51-S63 PolarHBondContact O-N 2.06Å; M51-S63 PolarHBondContact O-OG 3.46Å; M51-S63 VanDerWaalsContact O-OG 3.14Å; M51-V65 HydrophobicContact CG-CG2 4.16Å |
| 52 | R | 81 | Confident | 80.7 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 50% | 0.502 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.7 | 173.3 | -163.2 | 178.8 | -165.5 | -178.9 | 3.3 | 108.4 | P60 V61 I62 | R52-P60 HydrophobicContact CG-CB 3.9Å; R52-P60 VanDerWaalsContact NE-CG 3.34Å; R52-V61 WeakPolarHBondContact CA-O 3.37Å; R52-I62 HydrophobicContact CG-CG1 4.25Å |
| 53 | K | 79.4 | Confident | 80.4 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.9 | 172.7 | -72.1 | -174.2 | 178.7 | -177.1 | 0 | 108.6 | V61 | K53-V61 PolarHBondContact N-O 3.14Å; K53-V61 PolarHBondContact O-N 3.14Å |
| 54 | N | 77.8 | Confident | 80.1 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | trans | -99.5 | 100.6 | 174.1 | -64.4 | 2.5 | 0 | 0 | 0 | 107.7 | G56 P60 | N54-G56 PolarHBondContact O-N 3.19Å; N54-P60 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 55 | E | 66.1 | Low | 79.7 | Confident | 141 Ų | 141 | 70.5 Ų | 70.5 | 66% | 0.659 | 38% | 0.375 | S | S | * | . | trans | -92.9 | 87.2 | 170.4 | -75.3 | -178.9 | 174.6 | 0 | 0 | 108.4 | E58 | E55-E58 PolarHBondContact O-N 2.84Š| ||
| 56 | G | 67.3 | Low | 79.3 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -145.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N54 E58 | N54-G56 PolarHBondContact O-N 3.19Å; G56-E58 PolarHBondContact O-N 2.64Å |
| 57 | E | 60 | Low | 78.4 | Confident | 212 Ų | 212 | 79 Ų | 79 | 99% | 0.991 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -1.7 | -177.3 | -71.6 | -172.8 | 153 | 0 | 0 | 114.6 | ||
| 58 | E | 70.1 | Confident | 77.2 | Confident | 141 Ų | 141 | 82 Ų | 82 | 66% | 0.659 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -91.9 | 158.8 | 178.5 | -66 | -168.5 | 170 | 0 | 0 | 113.2 | E55 G56 | E55-E58 PolarHBondContact O-N 2.84Å; G56-E58 PolarHBondContact O-N 2.64Å |
| 59 | L | 75.1 | Confident | 75.8 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.5 | 178.7 | -68.1 | 170.4 | 0 | 0 | 0 | 110.6 | G27 N30 V61 | G27-L59 WeakPolarHBondContact O-CD2 3.46Å; N30-L59 PolarHBondContact ND2-O 3.14Å; L59-V61 PolarHBondContact O-N 2.91Å |
| 60 | P | 82.2 | Confident | 74.4 | Confident | 18 Ų | 18 | 88.4 Ų | 88.4 | 12% | 0.117 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 133.1 | -174.9 | 26.8 | -35.8 | 0 | 0 | 0 | 111.9 | D28 C29 N30 R52 N54 | D28-P60 VanDerWaalsContact O-CD 3.3Å; D28-P60 WeakPolarHBondContact O-CD 3.48Å; D28-P60 WeakPolarHBondContact O-CG 3.01Å; C29-P60 CarbonylContact C-O 3.59Å; C29-P60 VanDerWaalsContact CA-O 3.31Å; C29-P60 WeakPolarHBondContact CA-O 3.35Å; N30-P60 PolarHBondContact N-O 2.96Å; R52-P60 HydrophobicContact CG-CB 3.9Å; R52-P60 VanDerWaalsContact NE-CG 3.34Å; N54-P60 WeakPolarHBondContact OD1-CB 3.44Å |
| 61 | V | 85.3 | Confident | 73.2 | Confident | 47 Ų | 47 | 93.7 Ų | 93.7 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.4 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | N30 R52 K53 L59 | N30-V61 HydrophobicContact CB-CG2 3.94Å; R52-V61 WeakPolarHBondContact CA-O 3.37Å; K53-V61 PolarHBondContact N-O 3.14Å; K53-V61 PolarHBondContact O-N 3.14Å; L59-V61 PolarHBondContact O-N 2.91Å |
| 62 | I | 85.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 95 Ų | 95 | 4% | 0.041 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.1 | 175 | -63.7 | -179.9 | 0 | 0 | 0 | 109.3 | L23 C24 C29 N30 G32 V35 V50 R52 | L23-I62 HydrophobicContact CB-CD1 4.47Å; L23-I62 HydrophobicContact CD1-CG2 3.87Å; C24-I62 HydrophobicContact CB-CD1 3.45Å; C24-I62 VanDerWaalsContact CB-CD1 3.45Å; C29-I62 HydrophobicContact CB-CD1 3.74Å; C29-I62 HydrophobicContact CB-CG1 4.07Å; C29-I62 WeakPolarHBondContact SG-CD1 3.23Å; N30-I62 PolarHBondContact O-N 2.88Å; G32-I62 VanDerWaalsContact CA-O 3.23Å; G32-I62 WeakPolarHBondContact CA-O 3.11Å; G32-I62 PolarHBondContact N-O 3.01Å; V35-I62 HydrophobicContact CG1-CG2 4.29Å; V35-I62 WeakPolarHBondContact CG2-O 3.3Å; V50-I62 HydrophobicContact CG1-CG2 3.81Å; R52-I62 HydrophobicContact CG-CG1 4.25Å |
| 63 | S | 84.4 | Confident | 72.4 | Confident | 16 Ų | 16 | 93.5 Ų | 93.5 | 11% | 0.112 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.9 | 171.4 | 55.7 | 0 | 0 | 0 | 0 | 110.1 | T33 M51 | T33-S63 CarbonylContact O-C 3.51Å; T33-S63 VanDerWaalsContact O-CA 3.3Å; T33-S63 WeakPolarHBondContact O-CA 3.4Å; M51-S63 PolarHBondContact N-O 3.42Å; M51-S63 PolarHBondContact O-N 2.06Å; M51-S63 PolarHBondContact O-OG 3.46Å; M51-S63 VanDerWaalsContact O-OG 3.14Å |
| 64 | V | 84.8 | Confident | 72.5 | Confident | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.012 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.3 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | C17 L23 T33 V35 L46 Y49 V50 | C17-V64 WeakPolarHBondContact SG-CG1 3.47Å; L23-V64 HydrophobicContact CD1-CG2 3.88Å; T33-V64 PolarHBondContact O-N 2.93Å; V35-V64 HydrophobicContact CG1-CB 4.36Å; V35-V64 HydrophobicContact CG1-CG2 3.63Å; L46-V64 HydrophobicContact CB-CG1 4.04Å; Y49-V64 WeakPolarHBondContact O-CA 3.1Å; V50-V64 HydrophobicContact CG2-CG2 4.26Å |
| 65 | V | 81 | Confident | 72.8 | Confident | 62 Ų | 62 | 87.4 Ų | 87.4 | 38% | 0.376 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.9 | -177.2 | -168.7 | 0 | 0 | 0 | 0 | 108.3 | G48 Y49 M51 | G48-V65 WeakPolarHBondContact CA-O 3.41Å; Y49-V65 PolarHBondContact N-O 2.87Å; Y49-V65 PolarHBondContact O-N 2.84Å; M51-V65 HydrophobicContact CG-CG2 4.16Å |
| 66 | R | 78.9 | Confident | 74 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 51% | 0.506 | 46% | 0.463 | S | S | . | . | trans | -73.5 | 147.5 | 170.3 | -76.5 | 177.6 | 178.2 | -175.8 | 3.2 | 109 | A47 T68 | A47-R66 VanDerWaalsContact O-CG 3.24Å; A47-R66 WeakPolarHBondContact O-CG 3.31Å; R66-T68 PolarHBondContact O-N 3.49Å; R66-T68 VanDerWaalsContact O-N 3.11Å | ||
| 67 | E | 65.6 | Low | 75 | Confident | 152 Ų | 152 | 83.6 Ų | 83.6 | 71% | 0.71 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -60.7 | -19.4 | 171.4 | -148.2 | 174.5 | -177.6 | 0 | 0 | 112.4 | Y49 E69 | Y49-E67 HydrophobicContact CD2-CB 4.33Å; Y49-E67 HydrophobicContact CD2-CG 4.5Å; Y49-E67 HydrophobicContact CE2-CB 3.8Å; Y49-E67 HydrophobicContact CE2-CG 3.79Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 2.71Å |
| 68 | T | 60.7 | Low | 76.5 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 67% | 0.669 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -63.5 | 99.9 | 168.4 | -38.9 | 0 | 0 | 0 | 0 | 108 | R66 | R66-T68 PolarHBondContact O-N 3.49Å; R66-T68 VanDerWaalsContact O-N 3.11Å |
| 69 | E | 56.4 | Low | 77.5 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | trans | -23.5 | 132.7 | -179.8 | -73.4 | 162.8 | 174.8 | 0 | 0 | 112.9 | E67 L71 K105 | E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 2.71Å; E69-L71 PolarHBondContact O-N 2.94Å; E69-L71 VanDerWaalsContact O-N 3.14Å; E69-K105 IonicContact OE1-NZ 2.67Å; E69-K105 WeakPolarHBondContact OE2-CE 3.49Å; E69-K105 IonicContact OE2-NZ 2.69Å; E69-K105 PolarHBondContact OE2-NZ 2.81Å | ||
| 70 | A | 55.3 | Low | 78.3 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | trans | -38 | 123.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L72 | A70-L72 PolarHBondContact O-N 3.02Š| ||
| 71 | L | 60 | Low | 78.8 | Confident | 139 Ų | 139 | 68.8 Ų | 68.8 | 73% | 0.728 | 38% | 0.382 | S | S | * | . | trans | -60.2 | 89.3 | 172.3 | -66.5 | 167.6 | 0 | 0 | 0 | 106.9 | E69 L73 | E69-L71 PolarHBondContact O-N 2.94Å; E69-L71 VanDerWaalsContact O-N 3.14Å; L71-L73 PolarHBondContact O-N 3.17Å | ||
| 72 | L | 67.6 | Low | 79.1 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | trans | -67.9 | 109.8 | 174.4 | -75.5 | 171.5 | 0 | 0 | 0 | 106 | A70 T102 L104 | A70-L72 PolarHBondContact O-N 3.02Å; L72-T102 HydrophobicContact CD1-CG2 3.31Å; L72-L104 HydrophobicContact CB-CD2 4.13Å; L72-L104 WeakPolarHBondContact O-CD2 3.27Å | ||
| 73 | L | 76.6 | Confident | 79.6 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 53% | 0.534 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 135.9 | 173.4 | -64.1 | 175.9 | 0 | 0 | 0 | 107.3 | L71 D75 F108 | L71-L73 PolarHBondContact O-N 3.17Å; L73-D75 PolarHBondContact O-N 3.06Å; L73-D75 VanDerWaalsContact O-N 3.15Å; L73-F108 HydrophobicContact CD2-CE1 4.26Å; L73-F108 HydrophobicContact CD2-CZ 4.06Å |
| 74 | P | 81.8 | Confident | 80 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 116.4 | 171.5 | -11.3 | 21.2 | 0 | 0 | 0 | 109.4 | V80 I96 V99 V141 L144 Y151 | P74-V80 HydrophobicContact CB-CG1 4.35Å; P74-I96 HydrophobicContact CG-CD1 4.35Å; P74-V99 HydrophobicContact CB-CG2 3.81Å; P74-V99 HydrophobicContact CG-CG2 3.85Å; P74-V141 HydrophobicContact CB-CG2 4.05Å; P74-L144 VanDerWaalsContact O-CD2 3.24Å; P74-L144 WeakPolarHBondContact O-CD2 3.36Å; P74-Y151 HydrophobicContact CB-CD1 4.17Å; P74-Y151 HydrophobicContact CB-CE1 3.73Å; P74-Y151 HydrophobicContact CG-CD1 4.19Å; P74-Y151 HydrophobicContact CG-CE1 3.55Å |
| 75 | D | 85.1 | Confident | 80.4 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 157.5 | 173.3 | -75.1 | -42.5 | 0 | 0 | 0 | 111.8 | L73 G77 A78 V141 | L73-D75 PolarHBondContact O-N 3.06Å; L73-D75 VanDerWaalsContact O-N 3.15Å; D75-G77 PolarHBondContact O-N 3.31Å; D75-A78 VanDerWaalsContact O-CB 3.27Å; D75-A78 WeakPolarHBondContact O-CB 2.96Å; D75-A78 PolarHBondContact O-N 3.32Å; D75-A78 VanDerWaalsContact O-N 3.15Å; D75-V141 WeakPolarHBondContact O-CB 3.41Å |
| 76 | V | 89.6 | Confident | 81 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 130.4 | 173.1 | 176 | 0 | 0 | 0 | 0 | 109.5 | A78 I142 L144 | V76-A78 VanDerWaalsContact C-N 3.34Å; V76-I142 WeakPolarHBondContact CG1-O 3.4Å; V76-L144 HydrophobicContact CG2-CG 4.34Å |
| 77 | G | 89.8 | Confident | 81.6 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -8.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D75 K140 V141 | D75-G77 PolarHBondContact O-N 3.31Å; G77-K140 WeakPolarHBondContact O-CE 3.33Å; G77-V141 WeakPolarHBondContact CA-O 3.4Å; G77-V141 PolarHBondContact N-O 3.44Å |
| 78 | A | 89.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | trans | -69.4 | 142.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D75 V76 V99 K140 V141 | D75-A78 VanDerWaalsContact O-CB 3.27Å; D75-A78 WeakPolarHBondContact O-CB 2.96Å; D75-A78 PolarHBondContact O-N 3.32Å; D75-A78 VanDerWaalsContact O-N 3.15Å; V76-A78 VanDerWaalsContact C-N 3.34Å; A78-V99 HydrophobicContact CB-CG1 4.24Å; A78-K140 WeakPolarHBondContact O-CA 3.43Å; A78-V141 PolarHBondContact O-N 3.06Å | ||
| 79 | I | 91.1 | Very high | 84.2 | Confident | 81 Ų | 81 | 62 Ų | 62 | 42% | 0.415 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.8 | 171 | -58.9 | 173.5 | 0 | 0 | 0 | 108.3 | G100 L138 L160 | I79-G100 PolarHBondContact O-N 3.43Å; I79-L138 HydrophobicContact CG2-CD2 4.23Å; I79-L160 HydrophobicContact CG2-CD2 4.08Å |
| 80 | V | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.9 | -176.5 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | P74 I96 Y98 V99 A139 V141 L153 | P74-V80 HydrophobicContact CB-CG1 4.35Å; V80-I96 HydrophobicContact CB-CG2 3.89Å; V80-I96 HydrophobicContact CG1-CG2 4.22Å; V80-I96 HydrophobicContact CG2-CD1 4.47Å; V80-I96 HydrophobicContact CG2-CG1 4.49Å; V80-I96 HydrophobicContact CG2-CG2 4.45Å; V80-Y98 CarbonylContact C-O 3.45Å; V80-Y98 VanDerWaalsContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CB-O 3.37Å; V80-V99 HydrophobicContact CG1-CB 4.41Å; V80-V99 HydrophobicContact CG1-CG2 3.82Å; V80-A139 HydrophobicContact CG2-CB 4.49Å; V80-A139 WeakPolarHBondContact CG2-O 3.22Å; V80-A139 PolarHBondContact N-O 3.2Å; V80-A139 PolarHBondContact O-N 3.02Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å; V80-V141 HydrophobicContact CG2-CG2 4.12Å; V80-L153 HydrophobicContact CG2-CD1 4.41Å; V80-L153 HydrophobicContact CG2-CD2 3.82Å |
| 81 | T | 92.6 | Very high | 87.5 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.202 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.3 | 170.3 | -54.3 | 0 | 0 | 0 | 0 | 108.4 | L97 Y98 I136 L138 | T81-L97 PolarHBondContact O-N 3.18Å; T81-Y98 PolarHBondContact N-O 2.89Å; T81-Y98 PolarHBondContact O-N 3.14Å; T81-I136 HydrophobicContact CG2-CG2 3.41Å; T81-I136 VanDerWaalsContact CG2-CG2 3.41Å; T81-L138 HydrophobicContact CG2-CD2 4.48Å; T81-L138 VanDerWaalsContact OG1-CD2 3.28Å; T81-L138 WeakPolarHBondContact OG1-CD2 3.12Å |
| 82 | C | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.6 | -177.1 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | V94 H95 I96 I136 V137 | C82-V94 HydrophobicContact CB-CB 4.09Å; C82-V94 HydrophobicContact CB-CG2 3.95Å; C82-H95 CarbonylContact C-O 3.55Å; C82-H95 WeakPolarHBondContact CA-O 3.35Å; C82-H95 VanDerWaalsContact CB-O 3.22Å; C82-H95 WeakPolarHBondContact CB-O 3.26Å; C82-I96 HydrophobicContact CB-CG1 4.34Å; C82-I136 WeakPolarHBondContact O-CA 3.23Å; C82-V137 PolarHBondContact N-O 3.47Å; C82-V137 PolarHBondContact O-N 2.9Å; C82-V137 WeakPolarHBondContact SG-CG2 3.36Å; C82-V137 PolarHBondContact SG-O 2.81Å |
| 83 | K | 94.4 | Very high | 90.2 | Very high | 103 Ų | 103 | 59.3 Ų | 59.3 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.8 | 176.5 | 178.1 | 173.7 | -176 | 173.6 | 0 | 109.7 | T85 V94 H95 L97 D135 I136 | K83-T85 PolarHBondContact O-N 3.15Å; K83-V94 CarbonylContact O-C 3.57Å; K83-V94 VanDerWaalsContact O-CA 3.25Å; K83-V94 WeakPolarHBondContact O-CA 3.24Å; K83-V94 WeakPolarHBondContact O-CB 3.37Å; K83-H95 PolarHBondContact N-O 3.27Å; K83-H95 PolarHBondContact O-N 3.35Å; K83-L97 HydrophobicContact CB-CD1 3.46Å; K83-L97 VanDerWaalsContact CB-CD1 3.46Å; K83-D135 CarbonylContact C-O 3.59Å; K83-D135 WeakPolarHBondContact CA-O 3.29Å; K83-I136 HydrophobicContact CB-CD1 3.81Å; K83-I136 HydrophobicContact CD-CD1 4.26Å; K83-I136 HydrophobicContact CG-CD1 3.98Å |
| 84 | V | 94.2 | Very high | 91 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119.9 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | I87 V94 F131 R132 G134 D135 V137 | V84-I87 HydrophobicContact CG1-CG2 3.72Å; V84-V94 HydrophobicContact CB-CG1 4.49Å; V84-V94 HydrophobicContact CG2-CG1 4.1Å; V84-F131 HydrophobicContact CG2-CB 4.44Å; V84-R132 WeakPolarHBondContact CB-O 3.2Å; V84-G134 PolarHBondContact O-N 2.67Å; V84-D135 HydrophobicContact CG2-CB 4.18Å; V84-D135 PolarHBondContact N-O 2.99Å; V84-V137 HydrophobicContact CG2-CG1 3.77Å; V84-V137 HydrophobicContact CG2-CG2 4.18Å |
| 85 | T | 93.3 | Very high | 91.6 | Very high | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -40.5 | 178.8 | -42.2 | 0 | 0 | 0 | 0 | 111.1 | K83 K93 H95 | K83-T85 PolarHBondContact O-N 3.15Å; T85-K93 PolarHBondContact N-O 2.81Å; T85-H95 PolarHBondContact OG1-CD2 3.39Å; T85-H95 PolarHBondContact OG1-NE2 2.89Å |
| 86 | G | 91.9 | Very high | 91.9 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 150.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | K93 | G86-K93 PolarHBondContact N-O 2.91Å; G86-K93 PolarHBondContact O-N 3.43Å |
| 87 | I | 92.8 | Very high | 91.9 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.8 | -177.2 | 59.5 | 175.5 | 0 | 0 | 0 | 109.9 | V84 A92 I127 Y128 F131 | V84-I87 HydrophobicContact CG1-CG2 3.72Å; I87-A92 HydrophobicContact CG2-CB 4.23Å; I87-I127 HydrophobicContact CB-CG2 4.22Å; I87-I127 HydrophobicContact CG2-CG2 4.34Å; I87-Y128 HydrophobicContact CD1-CD1 3.41Å; I87-Y128 VanDerWaalsContact CD1-CD1 3.41Å; I87-Y128 HydrophobicContact CD1-CE1 3.62Å; I87-Y128 HydrophobicContact CD1-CG 4.27Å; I87-Y128 HydrophobicContact CG1-CD1 4.27Å; I87-Y128 HydrophobicContact CG1-CE1 4Å; I87-F131 HydrophobicContact CG2-CB 4.33Å |
| 88 | N | 92.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | trans | -127.1 | 163.1 | 167.9 | -166.5 | -13.5 | 0 | 0 | 0 | 107.4 | R90 F91 I127 | N88-R90 PolarHBondContact O-N 2.82Å; N88-F91 CarbonylContact C-O 3.6Å; N88-F91 WeakPolarHBondContact CA-O 3.38Å; N88-F91 HydrophobicContact CB-CD2 4.37Å; N88-F91 HydrophobicContact CB-CE1 4.36Å; N88-F91 HydrophobicContact CB-CE2 4.22Å; N88-F91 HydrophobicContact CB-CZ 4.22Å; N88-F91 VanDerWaalsContact CB-O 3.27Å; N88-F91 WeakPolarHBondContact CB-O 3.39Å; N88-F91 PolarHBondContact N-O 3.36Å; N88-F91 VanDerWaalsContact O-O 3.11Å; N88-I127 WeakPolarHBondContact O-CD1 3.28Å; N88-I127 WeakPolarHBondContact O-CG2 3.49Å | ||
| 89 | S | 88.6 | Confident | 91.8 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -60 | -30.2 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 90 | R | 88.9 | Confident | 91.5 | Very high | 197 Ų | 197 | 52 Ų | 52 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -96.8 | -28.4 | -177.2 | -66.2 | -178.4 | 178.2 | -103.1 | 1.2 | 114.9 | N88 K114 | N88-R90 PolarHBondContact O-N 2.82Å; R90-K114 PolarHBondContact O-N 2.89Å |
| 91 | F | 90.6 | Very high | 90.9 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 155.5 | -177.1 | 58.9 | -93.9 | 0 | 0 | 0 | 111.4 | N88 K93 T111 I112 I127 | N88-F91 CarbonylContact C-O 3.6Å; N88-F91 WeakPolarHBondContact CA-O 3.38Å; N88-F91 HydrophobicContact CB-CD2 4.37Å; N88-F91 HydrophobicContact CB-CE1 4.36Å; N88-F91 HydrophobicContact CB-CE2 4.22Å; N88-F91 HydrophobicContact CB-CZ 4.22Å; N88-F91 VanDerWaalsContact CB-O 3.27Å; N88-F91 WeakPolarHBondContact CB-O 3.39Å; N88-F91 PolarHBondContact N-O 3.36Å; N88-F91 VanDerWaalsContact O-O 3.11Å; F91-K93 HydrophobicContact CD2-CG 4.2Å; F91-K93 HydrophobicContact CE2-CD 4.47Å; F91-K93 HydrophobicContact CE2-CG 3.98Å; F91-T111 HydrophobicContact CB-CG2 3.74Å; F91-T111 HydrophobicContact CD2-CG2 3.97Å; F91-T111 HydrophobicContact CG-CG2 4.09Å; F91-I112 CarbonylContact C-O 3.6Å; F91-I112 WeakPolarHBondContact CA-O 3.27Å; F91-I112 WeakPolarHBondContact CB-O 3.36Å; F91-I127 VanDerWaalsContact CA-CD1 3.45Å |
| 92 | A | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I87 T111 I112 I127 F131 | I87-A92 HydrophobicContact CG2-CB 4.23Å; A92-T111 WeakPolarHBondContact O-CA 3.46Å; A92-I112 HydrophobicContact CB-CB 4.45Å; A92-I112 PolarHBondContact N-O 2.83Å; A92-I112 PolarHBondContact O-N 2.92Å; A92-I127 HydrophobicContact CB-CG2 4.15Å; A92-F131 HydrophobicContact CB-CD2 4.44Å |
| 93 | K | 93 | Very high | 90 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.8 | 173.1 | -64 | -175.8 | -176.8 | 180 | 0 | 109.2 | T85 G86 F91 | T85-K93 PolarHBondContact N-O 2.81Å; G86-K93 PolarHBondContact N-O 2.91Å; G86-K93 PolarHBondContact O-N 3.43Å; F91-K93 HydrophobicContact CD2-CG 4.2Å; F91-K93 HydrophobicContact CE2-CD 4.47Å; F91-K93 HydrophobicContact CE2-CG 3.98Å |
| 94 | V | 93.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157.4 | -179.5 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | C82 K83 V84 G110 I112 L153 | C82-V94 HydrophobicContact CB-CB 4.09Å; C82-V94 HydrophobicContact CB-CG2 3.95Å; K83-V94 CarbonylContact O-C 3.57Å; K83-V94 VanDerWaalsContact O-CA 3.25Å; K83-V94 WeakPolarHBondContact O-CA 3.24Å; K83-V94 WeakPolarHBondContact O-CB 3.37Å; V84-V94 HydrophobicContact CB-CG1 4.49Å; V84-V94 HydrophobicContact CG2-CG1 4.1Å; V94-G110 PolarHBondContact N-O 3.11Å; V94-G110 PolarHBondContact O-N 3Å; V94-I112 HydrophobicContact CG1-CD1 3.92Å; V94-L153 HydrophobicContact CG2-CD1 3.4Å |
| 95 | H | 93.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.6 | 167.5 | -74.2 | -62.2 | 0 | 0 | 0 | 109.8 | C82 K83 T85 F108 | C82-H95 CarbonylContact C-O 3.55Å; C82-H95 WeakPolarHBondContact CA-O 3.35Å; C82-H95 VanDerWaalsContact CB-O 3.22Å; C82-H95 WeakPolarHBondContact CB-O 3.26Å; K83-H95 PolarHBondContact N-O 3.27Å; K83-H95 PolarHBondContact O-N 3.35Å; T85-H95 PolarHBondContact OG1-CD2 3.39Å; T85-H95 PolarHBondContact OG1-NE2 2.89Å; H95-F108 CarbonylContact C-O 3.56Å; H95-F108 WeakPolarHBondContact CA-O 3.46Å |
| 96 | I | 91.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.5 | 174.7 | -53.6 | 173.8 | 0 | 0 | 0 | 108.3 | P74 V80 C82 L104 F108 Y151 L153 | P74-I96 HydrophobicContact CG-CD1 4.35Å; V80-I96 HydrophobicContact CB-CG2 3.89Å; V80-I96 HydrophobicContact CG1-CG2 4.22Å; V80-I96 HydrophobicContact CG2-CD1 4.47Å; V80-I96 HydrophobicContact CG2-CG1 4.49Å; V80-I96 HydrophobicContact CG2-CG2 4.45Å; C82-I96 HydrophobicContact CB-CG1 4.34Å; I96-L104 HydrophobicContact CG2-CD1 3.69Å; I96-F108 HydrophobicContact CB-CB 4.19Å; I96-F108 HydrophobicContact CD1-CB 4.14Å; I96-F108 HydrophobicContact CG1-CB 4.44Å; I96-F108 PolarHBondContact N-O 2.91Å; I96-Y151 HydrophobicContact CD1-CD1 4.39Å; I96-Y151 HydrophobicContact CD1-CD2 4.19Å; I96-Y151 HydrophobicContact CD1-CG 3.94Å; I96-L153 HydrophobicContact CD1-CD1 4.47Å; I96-L153 HydrophobicContact CD1-CD2 4.34Å; I96-L153 HydrophobicContact CG1-CD1 4.34Å |
| 97 | L | 89.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -38.3 | 179.4 | -69.5 | 133.2 | 0 | 0 | 0 | 111.6 | T81 K83 L104 | T81-L97 PolarHBondContact O-N 3.18Å; K83-L97 HydrophobicContact CB-CD1 3.46Å; K83-L97 VanDerWaalsContact CB-CD1 3.46Å; L97-L104 PolarHBondContact O-N 3.25Å |
| 98 | Y | 89.3 | Confident | 86.9 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144 | -178.9 | -60.9 | -103.3 | 0 | 0 | 0 | 110.5 | V80 T81 T102 P103 | V80-Y98 CarbonylContact C-O 3.45Å; V80-Y98 VanDerWaalsContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CB-O 3.37Å; T81-Y98 PolarHBondContact N-O 2.89Å; T81-Y98 PolarHBondContact O-N 3.14Å; Y98-T102 WeakPolarHBondContact CA-O 3.47Å; Y98-P103 VanDerWaalsContact CD1-CA 3.49Å; Y98-P103 HydrophobicContact CD1-CB 3.84Å; Y98-P103 HydrophobicContact CE1-CB 3.54Å; Y98-P103 HydrophobicContact CE1-CG 4.27Å |
| 99 | V | 88.7 | Confident | 86.8 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.9 | 166.3 | 173 | 0 | 0 | 0 | 0 | 106.6 | P74 A78 V80 S101 T102 L104 | P74-V99 HydrophobicContact CB-CG2 3.81Å; P74-V99 HydrophobicContact CG-CG2 3.85Å; A78-V99 HydrophobicContact CB-CG1 4.24Å; V80-V99 HydrophobicContact CG1-CB 4.41Å; V80-V99 HydrophobicContact CG1-CG2 3.82Å; V99-S101 PolarHBondContact O-N 2.83Å; V99-S101 VanDerWaalsContact O-N 3.14Å; V99-T102 PolarHBondContact N-O 3.28Å; V99-T102 PolarHBondContact O-N 2.88Å; V99-L104 HydrophobicContact CB-CD1 4.4Å; V99-L104 HydrophobicContact CG2-CD1 3.41Å; V99-L104 VanDerWaalsContact CG2-CD1 3.41Å; V99-L104 HydrophobicContact CG2-CD2 4.39Å; V99-L104 HydrophobicContact CG2-CG 4.14Å |
| 100 | G | 85 | Confident | 87 | Confident | 50 Ų | 50 | 76 Ų | 76 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -117.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I79 | I79-G100 PolarHBondContact O-N 3.43Š|
| 101 | S | 78.9 | Confident | 87.1 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 78% | 0.783 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.3 | 178.3 | 52 | 0 | 0 | 0 | 0 | 114.4 | V99 | V99-S101 PolarHBondContact O-N 2.83Å; V99-S101 VanDerWaalsContact O-N 3.14Å |
| 102 | T | 83.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.5 | -172 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | L72 Y98 V99 | L72-T102 HydrophobicContact CD1-CG2 3.31Å; Y98-T102 WeakPolarHBondContact CA-O 3.47Å; V99-T102 PolarHBondContact N-O 3.28Å; V99-T102 PolarHBondContact O-N 2.88Å |
| 103 | P | 84 | Confident | 87.2 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 138.6 | 175.3 | 25.8 | -31.9 | 0 | 0 | 0 | 111.7 | Y98 | Y98-P103 VanDerWaalsContact CD1-CA 3.49Å; Y98-P103 HydrophobicContact CD1-CB 3.84Å; Y98-P103 HydrophobicContact CE1-CB 3.54Å; Y98-P103 HydrophobicContact CE1-CG 4.27Å |
| 104 | L | 81.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.6 | 170.6 | -68.8 | 157.5 | 0 | 0 | 0 | 109.5 | L72 I96 L97 V99 F108 | L72-L104 HydrophobicContact CB-CD2 4.13Å; L72-L104 WeakPolarHBondContact O-CD2 3.27Å; I96-L104 HydrophobicContact CG2-CD1 3.69Å; L97-L104 PolarHBondContact O-N 3.25Å; V99-L104 HydrophobicContact CB-CD1 4.4Å; V99-L104 HydrophobicContact CG2-CD1 3.41Å; V99-L104 VanDerWaalsContact CG2-CD1 3.41Å; V99-L104 HydrophobicContact CG2-CD2 4.39Å; V99-L104 HydrophobicContact CG2-CG 4.14Å; L104-F108 HydrophobicContact CD1-CD2 3.97Å; L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CD2 4.33Å; L104-F108 HydrophobicContact CD2-CE2 3.88Å; L104-F108 HydrophobicContact CG-CE2 4.5Å |
| 105 | K | 73.2 | Confident | 86.9 | Confident | 153 Ų | 153 | 71 Ų | 71 | 67% | 0.665 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -38.9 | 173.6 | -69.9 | -179.5 | -177.1 | 165.5 | 0 | 111.6 | E69 | E69-K105 IonicContact OE1-NZ 2.67Å; E69-K105 WeakPolarHBondContact OE2-CE 3.49Å; E69-K105 IonicContact OE2-NZ 2.69Å; E69-K105 PolarHBondContact OE2-NZ 2.81Å |
| 106 | D | 80.3 | Confident | 86.7 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137 | 178.5 | -71.9 | -44 | 0 | 0 | 0 | 111.8 | F108 | D106-F108 HydrophobicContact CB-CE2 3.98Å; D106-F108 HydrophobicContact CB-CZ 4.21Å; D106-F108 WeakPolarHBondContact O-CD2 3.25Å; D106-F108 PolarHBondContact O-N 2.88Å; D106-F108 VanDerWaalsContact O-N 3.17Å |
| 107 | R | 80.3 | Confident | 86.5 | Confident | 200 Ų | 200 | 69.9 Ų | 69.9 | 76% | 0.755 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 91.7 | 179.4 | -63.9 | 179.5 | -174.7 | 172.9 | 1.3 | 110 | ||
| 108 | F | 87.4 | Confident | 86.3 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 20% | 0.197 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.2 | 173.2 | -64.2 | -82.5 | 0 | 0 | 0 | 111 | L73 H95 I96 L104 D106 Y151 | L73-F108 HydrophobicContact CD2-CE1 4.26Å; L73-F108 HydrophobicContact CD2-CZ 4.06Å; H95-F108 CarbonylContact C-O 3.56Å; H95-F108 WeakPolarHBondContact CA-O 3.46Å; I96-F108 HydrophobicContact CB-CB 4.19Å; I96-F108 HydrophobicContact CD1-CB 4.14Å; I96-F108 HydrophobicContact CG1-CB 4.44Å; I96-F108 PolarHBondContact N-O 2.91Å; L104-F108 HydrophobicContact CD1-CD2 3.97Å; L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CD2 4.33Å; L104-F108 HydrophobicContact CD2-CE2 3.88Å; L104-F108 HydrophobicContact CG-CE2 4.5Å; D106-F108 HydrophobicContact CB-CE2 3.98Å; D106-F108 HydrophobicContact CB-CZ 4.21Å; D106-F108 WeakPolarHBondContact O-CD2 3.25Å; D106-F108 PolarHBondContact O-N 2.88Å; D106-F108 VanDerWaalsContact O-N 3.17Å; F108-Y151 HydrophobicContact CB-CD2 4.1Å; F108-Y151 HydrophobicContact CB-CE2 3.87Å; F108-Y151 AromaticContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CG-CE2 4.02Å |
| 109 | R | 90 | Very high | 85.9 | Confident | 146 Ų | 146 | 71.7 Ų | 71.7 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.1 | -179.1 | -58.4 | 179.9 | 85.1 | 178.7 | 10 | 108.9 | T150 Y151 | R109-T150 HydrophobicContact CB-CG2 4.47Å; R109-T150 WeakPolarHBondContact O-CA 3.42Å; R109-Y151 PolarHBondContact O-N 3.17Å |
| 110 | G | 91.8 | Very high | 85.5 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V94 Y151 | V94-G110 PolarHBondContact N-O 3.11Å; V94-G110 PolarHBondContact O-N 3Å; G110-Y151 CarbonylContact C-O 3.46Å; G110-Y151 VanDerWaalsContact CA-O 3.28Å; G110-Y151 WeakPolarHBondContact CA-O 3.36Å |
| 111 | T | 92.5 | Very high | 85 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 16% | 0.16 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.9 | 172.4 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | F91 A92 Y151 L153 | F91-T111 HydrophobicContact CB-CG2 3.74Å; F91-T111 HydrophobicContact CD2-CG2 3.97Å; F91-T111 HydrophobicContact CG-CG2 4.09Å; A92-T111 WeakPolarHBondContact O-CA 3.46Å; T111-Y151 PolarHBondContact N-O 2.78Å; T111-L153 PolarHBondContact O-N 3.31Å |
| 112 | I | 92.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.6 | 171.7 | -59 | 164.9 | 0 | 0 | 0 | 107.2 | F91 A92 V94 V117 F131 V137 A139 L153 T155 | F91-I112 CarbonylContact C-O 3.6Å; F91-I112 WeakPolarHBondContact CA-O 3.27Å; F91-I112 WeakPolarHBondContact CB-O 3.36Å; A92-I112 HydrophobicContact CB-CB 4.45Å; A92-I112 PolarHBondContact N-O 2.83Å; A92-I112 PolarHBondContact O-N 2.92Å; V94-I112 HydrophobicContact CG1-CD1 3.92Å; I112-V117 HydrophobicContact CG2-CG2 4.11Å; I112-F131 HydrophobicContact CG2-CE2 4.4Å; I112-V137 HydrophobicContact CD1-CG2 4.19Å; I112-A139 HydrophobicContact CD1-CB 4.48Å; I112-L153 HydrophobicContact CG1-CB 3.76Å; I112-T155 HydrophobicContact CD1-CG2 4.06Å |
| 113 | R | 91.3 | Very high | 84.5 | Confident | 107 Ų | 107 | 80.7 Ų | 80.7 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 159 | 179.3 | -52.3 | -175.1 | 179.3 | -174.8 | 1.3 | 111 | E115 D116 V117 L152 | R113-E115 HydrophobicContact CB-CG 4.1Å; R113-E115 VanDerWaalsContact CB-OE2 3.29Å; R113-E115 WeakPolarHBondContact CB-OE2 3.28Å; R113-E115 WeakPolarHBondContact CD-OE1 3.42Å; R113-E115 IonicContact NH1-OE1 3.71Å; R113-E115 PolarHBondContact O-N 2.89Å; R113-D116 PolarHBondContact O-N 3.38Å; R113-V117 WeakPolarHBondContact O-CG2 3.33Å; R113-V117 PolarHBondContact O-N 2.93Å; R113-L152 HydrophobicContact CG-CD2 4.36Å |
| 114 | K | 90.5 | Very high | 84.4 | Confident | 57 Ų | 57 | 84 Ų | 84 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -55.3 | -41.8 | 179.2 | 175.6 | 172.5 | 161 | 155 | 0 | 111.8 | R90 D116 V117 K122 D123 V125 I127 | R90-K114 PolarHBondContact O-N 2.89Å; K114-D116 PolarHBondContact O-N 2.83Å; K114-V117 PolarHBondContact O-N 3Å; K114-K122 WeakPolarHBondContact CE-O 3.47Å; K114-D123 WeakPolarHBondContact CE-O 3.48Å; K114-D123 PolarHBondContact NZ-O 3.48Å; K114-V125 WeakPolarHBondContact CD-O 3.33Å; K114-V125 WeakPolarHBondContact CE-O 3.24Å; K114-V125 PolarHBondContact NZ-O 3.47Å; K114-I127 HydrophobicContact CB-CD1 4.06Å; K114-I127 HydrophobicContact CB-CG1 4.36Å |
| 115 | E | 89.8 | Confident | 84.4 | Confident | 76 Ų | 76 | 83 Ų | 83 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -66 | -19.4 | 179.5 | 61.1 | -92.2 | -149.8 | 0 | 0 | 114.3 | R113 K122 | R113-E115 HydrophobicContact CB-CG 4.1Å; R113-E115 VanDerWaalsContact CB-OE2 3.29Å; R113-E115 WeakPolarHBondContact CB-OE2 3.28Å; R113-E115 WeakPolarHBondContact CD-OE1 3.42Å; R113-E115 IonicContact NH1-OE1 3.71Å; R113-E115 PolarHBondContact O-N 2.89Å; E115-K122 HydrophobicContact CB-CD 4.38Å; E115-K122 VanDerWaalsContact O-CD 3.24Å; E115-K122 WeakPolarHBondContact O-CD 3.36Å; E115-K122 WeakPolarHBondContact O-CE 3.41Å; E115-K122 PolarHBondContact O-NZ 3.15Å |
| 116 | D | 89.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 79 Ų | 79 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -103.5 | 8.3 | -176.6 | -58.8 | -43.1 | 0 | 0 | 0 | 112.3 | R113 K114 T154 T155 A156 | R113-D116 PolarHBondContact O-N 3.38Å; K114-D116 PolarHBondContact O-N 2.83Å; D116-T154 PolarHBondContact O-OG1 2.79Å; D116-T155 PolarHBondContact O-N 3.48Å; D116-T155 PolarHBondContact O-OG1 3.27Å; D116-A156 PolarHBondContact O-N 2.9Å |
| 117 | V | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -82.5 | -38 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 112 | I112 R113 K114 V125 F131 T155 K193 | I112-V117 HydrophobicContact CG2-CG2 4.11Å; R113-V117 WeakPolarHBondContact O-CG2 3.33Å; R113-V117 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 3Å; V117-V125 HydrophobicContact CB-CG1 3.88Å; V117-V125 HydrophobicContact CG1-CG1 3.68Å; V117-F131 HydrophobicContact CB-CE2 4.47Å; V117-F131 HydrophobicContact CG1-CE2 3.8Å; V117-F131 HydrophobicContact CG1-CZ 4.02Å; V117-F131 HydrophobicContact CG2-CE2 3.84Å; V117-T155 WeakPolarHBondContact CA-OG1 3.43Å; V117-T155 PolarHBondContact O-OG1 3.07Å; V117-K193 HydrophobicContact CG1-CD 3.93Å; V117-K193 VanDerWaalsContact O-CD 3.32Å; V117-K193 WeakPolarHBondContact O-CD 3.37Å; V117-K193 WeakPolarHBondContact O-CE 3.45Å; V117-K193 PolarHBondContact O-NZ 2.78Å |
| 118 | R | 84.9 | Confident | 86.1 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | trans | -138.7 | 145.8 | 178.2 | -66.8 | -174.5 | 179.4 | -102.2 | -7.1 | 109.8 | S120 K122 V125 | R118-S120 WeakPolarHBondContact CB-O 3.44Å; R118-K122 WeakPolarHBondContact O-CG 3.47Å; R118-V125 HydrophobicContact CB-CG2 4.04Å; R118-V125 HydrophobicContact CG-CG2 3.99Å | ||
| 119 | E | 81.9 | Confident | 86.1 | Confident | 146 Ų | 146 | 75 Ų | 75 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.1 | -40.4 | 172.8 | -170.4 | 149.8 | -145 | 0 | 0 | 111.5 | A156 | E119-A156 HydrophobicContact CB-CB 4.29Š|
| 120 | S | 78.7 | Confident | 86.1 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -101.6 | 146.1 | 178 | -45.4 | 0 | 0 | 0 | 0 | 112.8 | R118 K122 | R118-S120 WeakPolarHBondContact CB-O 3.44Å; S120-K122 PolarHBondContact O-N 2.82Å |
| 121 | E | 74.2 | Confident | 86.1 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | trans | 56.1 | 44.3 | 175.8 | -57.2 | -166.7 | 117.4 | 0 | 0 | 115.8 | D123 K124 V125 | E121-D123 PolarHBondContact O-N 3.47Å; E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact O-N 3.07Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 3.48Å; E121-V125 WeakPolarHBondContact O-CG2 3.48Å | ||
| 122 | K | 77.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -48.8 | -35.9 | -178.3 | -65.1 | -178.4 | 177.3 | -162.9 | 0 | 114.7 | K114 E115 R118 S120 K124 V125 | K114-K122 WeakPolarHBondContact CE-O 3.47Å; E115-K122 HydrophobicContact CB-CD 4.38Å; E115-K122 VanDerWaalsContact O-CD 3.24Å; E115-K122 WeakPolarHBondContact O-CD 3.36Å; E115-K122 WeakPolarHBondContact O-CE 3.41Å; E115-K122 PolarHBondContact O-NZ 3.15Å; R118-K122 WeakPolarHBondContact O-CG 3.47Å; S120-K122 PolarHBondContact O-N 2.82Å; K122-K124 PolarHBondContact O-N 2.88Å; K122-V125 PolarHBondContact O-N 2.88Å |
| 123 | D | 75.5 | Confident | 86.1 | Confident | 149 Ų | 149 | 74.9 Ų | 74.9 | 80% | 0.797 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -72.2 | -30.3 | -176.6 | -63.4 | -45.9 | 0 | 0 | 0 | 113.7 | K114 E121 V125 | K114-D123 WeakPolarHBondContact CE-O 3.48Å; K114-D123 PolarHBondContact NZ-O 3.48Å; E121-D123 PolarHBondContact O-N 3.47Å; D123-V125 VanDerWaalsContact C-N 3.34Å |
| 124 | K | 80.4 | Confident | 86.1 | Confident | 150 Ų | 150 | 71.2 Ų | 71.2 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -87 | -3 | -178.6 | -65.4 | -178.3 | -171.5 | 164.2 | 0 | 113.4 | E121 K122 | E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact O-N 3.07Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 3.48Å; K122-K124 PolarHBondContact O-N 2.88Å |
| 125 | V | 82.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | trans | -78.4 | 127 | -177.1 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | K114 V117 R118 E121 K122 D123 | K114-V125 WeakPolarHBondContact CD-O 3.33Å; K114-V125 WeakPolarHBondContact CE-O 3.24Å; K114-V125 PolarHBondContact NZ-O 3.47Å; V117-V125 HydrophobicContact CB-CG1 3.88Å; V117-V125 HydrophobicContact CG1-CG1 3.68Å; R118-V125 HydrophobicContact CB-CG2 4.04Å; R118-V125 HydrophobicContact CG-CG2 3.99Å; E121-V125 WeakPolarHBondContact O-CG2 3.48Å; K122-V125 PolarHBondContact O-N 2.88Å; D123-V125 VanDerWaalsContact C-N 3.34Å | ||
| 126 | D | 88.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | trans | -102.6 | 125.6 | 170.1 | -65.2 | -39.9 | 0 | 0 | 0 | 109.8 | Y128 K129 S130 | D126-Y128 VanDerWaalsContact C-N 3.31Å; D126-Y128 PolarHBondContact O-N 2.9Å; D126-K129 HydrophobicContact CB-CB 4.17Å; D126-K129 HydrophobicContact CB-CD 4.01Å; D126-K129 HydrophobicContact CB-CG 4.01Å; D126-K129 PolarHBondContact O-N 2.93Å; D126-K129 WeakPolarHBondContact OD2-CE 3.22Å; D126-K129 IonicContact OD2-NZ 3.51Å; D126-K129 PolarHBondContact OD2-NZ 2.97Å; D126-S130 PolarHBondContact O-N 3.47Å; D126-S130 PolarHBondContact O-OG 2.69Å | ||
| 127 | I | 90.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -63.7 | -39.9 | 177.8 | -65.8 | -176.3 | 0 | 0 | 0 | 110.6 | I87 N88 F91 A92 K114 K129 S130 F131 | I87-I127 HydrophobicContact CB-CG2 4.22Å; I87-I127 HydrophobicContact CG2-CG2 4.34Å; N88-I127 WeakPolarHBondContact O-CD1 3.28Å; N88-I127 WeakPolarHBondContact O-CG2 3.49Å; F91-I127 VanDerWaalsContact CA-CD1 3.45Å; A92-I127 HydrophobicContact CB-CG2 4.15Å; K114-I127 HydrophobicContact CB-CD1 4.06Å; K114-I127 HydrophobicContact CB-CG1 4.36Å; I127-K129 PolarHBondContact O-N 3.36Å; I127-S130 PolarHBondContact O-N 3.43Å; I127-F131 HydrophobicContact CG2-CD2 4.21Å; I127-F131 PolarHBondContact O-N 3.43Å |
| 128 | Y | 89.6 | Confident | 86.8 | Confident | 135 Ų | 135 | 67.7 Ų | 67.7 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -59.3 | -29.4 | 177.4 | -74.2 | -79.6 | 0 | 0 | 0 | 114 | I87 D126 | I87-Y128 HydrophobicContact CD1-CD1 3.41Å; I87-Y128 VanDerWaalsContact CD1-CD1 3.41Å; I87-Y128 HydrophobicContact CD1-CE1 3.62Å; I87-Y128 HydrophobicContact CD1-CG 4.27Å; I87-Y128 HydrophobicContact CG1-CD1 4.27Å; I87-Y128 HydrophobicContact CG1-CE1 4Å; D126-Y128 VanDerWaalsContact C-N 3.31Å; D126-Y128 PolarHBondContact O-N 2.9Å |
| 129 | K | 89.3 | Confident | 87.2 | Confident | 120 Ų | 120 | 64.9 Ų | 64.9 | 52% | 0.522 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -89 | -9.3 | 176.1 | -63.8 | 178.7 | -175.3 | 151.2 | 0 | 112.7 | D126 I127 F191 R192 | D126-K129 HydrophobicContact CB-CB 4.17Å; D126-K129 HydrophobicContact CB-CD 4.01Å; D126-K129 HydrophobicContact CB-CG 4.01Å; D126-K129 PolarHBondContact O-N 2.93Å; D126-K129 WeakPolarHBondContact OD2-CE 3.22Å; D126-K129 IonicContact OD2-NZ 3.51Å; D126-K129 PolarHBondContact OD2-NZ 2.97Å; I127-K129 PolarHBondContact O-N 3.36Å; K129-F191 HydrophobicContact CB-CB 4.19Å; K129-F191 CarbonylContact O-C 3.09Å; K129-R192 WeakPolarHBondContact O-CA 3.26Å; K129-R192 PolarHBondContact O-N 3.47Å |
| 130 | S | 89.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -41.7 | -175.6 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | D126 I127 V162 K193 | D126-S130 PolarHBondContact O-N 3.47Å; D126-S130 PolarHBondContact O-OG 2.69Å; I127-S130 PolarHBondContact O-N 3.43Å; S130-V162 WeakPolarHBondContact O-CG2 3.4Å; S130-K193 PolarHBondContact O-N 3.26Å |
| 131 | F | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -136.7 | 143.5 | -172.8 | -52 | -66.9 | 0 | 0 | 0 | 111.2 | V84 I87 A92 I112 V117 I127 V137 T155 V162 | V84-F131 HydrophobicContact CG2-CB 4.44Å; I87-F131 HydrophobicContact CG2-CB 4.33Å; A92-F131 HydrophobicContact CB-CD2 4.44Å; I112-F131 HydrophobicContact CG2-CE2 4.4Å; V117-F131 HydrophobicContact CB-CE2 4.47Å; V117-F131 HydrophobicContact CG1-CE2 3.8Å; V117-F131 HydrophobicContact CG1-CZ 4.02Å; V117-F131 HydrophobicContact CG2-CE2 3.84Å; I127-F131 HydrophobicContact CG2-CD2 4.21Å; I127-F131 PolarHBondContact O-N 3.43Å; F131-V137 HydrophobicContact CD1-CG1 3.79Å; F131-V137 HydrophobicContact CE1-CG1 4.03Å; F131-T155 HydrophobicContact CZ-CG2 4.16Å; F131-V162 HydrophobicContact CD1-CG2 3.75Å; F131-V162 HydrophobicContact CE1-CG2 4.11Å | ||
| 132 | R | 92.1 | Very high | 89.2 | Confident | 91 Ų | 91 | 55 Ų | 55 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | trans | -118.6 | 152.9 | 166.6 | -74.1 | -156.5 | -169.5 | -170.9 | -4 | 111.1 | V84 G134 D135 E168 E190 R192 | V84-R132 WeakPolarHBondContact CB-O 3.2Å; R132-G134 PolarHBondContact O-N 2.87Å; R132-D135 PolarHBondContact N-OD2 2.99Å; R132-D135 WeakPolarHBondContact O-CB 2.97Å; R132-D135 VanDerWaalsContact O-CG 3.24Å; R132-D135 PolarHBondContact O-N 2.81Å; R132-E168 IonicContact NH1-OE1 3.92Å; R132-E168 PolarHBondContact NH1-OE1 3.24Å; R132-E190 IonicContact CZ-OE2 3.46Å; R132-E190 VanDerWaalsContact CZ-OE2 3.27Å; R132-E190 IonicContact NE-OE2 3.43Å; R132-E190 PolarHBondContact NE-OE2 2.63Å; R132-E190 IonicContact NH1-OE2 2.64Å; R132-E190 IonicContact NH2-OE2 3.95Å; R132-R192 VanDerWaalsContact CD-NH2 3.27Å | ||
| 133 | P | 92.8 | Very high | 89.6 | Confident | 78 Ų | 78 | 53 Ų | 53 | 51% | 0.506 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 134.7 | 173.5 | 27 | -34.6 | 0 | 0 | 0 | 110.3 | ||
| 134 | G | 91 | Very high | 90 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | -14.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V84 R132 | V84-G134 PolarHBondContact O-N 2.67Å; R132-G134 PolarHBondContact O-N 2.87Å |
| 135 | D | 92.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -68.3 | 150.9 | 177.9 | -67.8 | -14.3 | 0 | 0 | 0 | 112.4 | K83 V84 R132 V137 V162 R192 | K83-D135 CarbonylContact C-O 3.59Å; K83-D135 WeakPolarHBondContact CA-O 3.29Å; V84-D135 HydrophobicContact CG2-CB 4.18Å; V84-D135 PolarHBondContact N-O 2.99Å; R132-D135 PolarHBondContact N-OD2 2.99Å; R132-D135 WeakPolarHBondContact O-CB 2.97Å; R132-D135 VanDerWaalsContact O-CG 3.24Å; R132-D135 PolarHBondContact O-N 2.81Å; D135-V137 HydrophobicContact CB-CG1 4.33Å; D135-V162 HydrophobicContact CB-CG1 4.27Å; D135-R192 IonicContact OD1-CZ 3.27Å; D135-R192 IonicContact OD1-NH1 3.43Å; D135-R192 PolarHBondContact OD1-NH1 3.14Å; D135-R192 IonicContact OD2-CZ 2.69Å; D135-R192 IonicContact OD2-NE 3.51Å; D135-R192 IonicContact OD2-NH1 3.54Å; D135-R192 PolarHBondContact OD2-NH1 3.08Å | ||
| 136 | I | 92.8 | Very high | 88.5 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.7 | 169.7 | -51.6 | -58.2 | 0 | 0 | 0 | 109 | T81 C82 K83 V163 V164 | T81-I136 HydrophobicContact CG2-CG2 3.41Å; T81-I136 VanDerWaalsContact CG2-CG2 3.41Å; C82-I136 WeakPolarHBondContact O-CA 3.23Å; K83-I136 HydrophobicContact CB-CD1 3.81Å; K83-I136 HydrophobicContact CD-CD1 4.26Å; K83-I136 HydrophobicContact CG-CD1 3.98Å; I136-V163 PolarHBondContact O-N 3.31Å; I136-V164 HydrophobicContact CB-CB 4Å; I136-V164 HydrophobicContact CG1-CB 4.13Å; I136-V164 PolarHBondContact N-O 2.75Å; I136-V164 PolarHBondContact O-N 3.09Å |
| 137 | V | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.7 | -175.6 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | C82 V84 I112 F131 D135 G161 V162 | C82-V137 PolarHBondContact N-O 3.47Å; C82-V137 PolarHBondContact O-N 2.9Å; C82-V137 WeakPolarHBondContact SG-CG2 3.36Å; C82-V137 PolarHBondContact SG-O 2.81Å; V84-V137 HydrophobicContact CG2-CG1 3.77Å; V84-V137 HydrophobicContact CG2-CG2 4.18Å; I112-V137 HydrophobicContact CD1-CG2 4.19Å; F131-V137 HydrophobicContact CD1-CG1 3.79Å; F131-V137 HydrophobicContact CE1-CG1 4.03Å; D135-V137 HydrophobicContact CB-CG1 4.33Å; V137-G161 CarbonylContact C-O 3.5Å; V137-G161 VanDerWaalsContact CA-O 3.24Å; V137-G161 WeakPolarHBondContact CA-O 3.47Å; V137-V162 HydrophobicContact CG1-CB 4.39Å; V137-V162 HydrophobicContact CG1-CG2 3.84Å |
| 138 | L | 93.1 | Very high | 85.7 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.6 | 167.1 | -73.1 | 174.1 | 0 | 0 | 0 | 108.6 | I79 T81 L160 G161 V163 | I79-L138 HydrophobicContact CG2-CD2 4.23Å; T81-L138 HydrophobicContact CG2-CD2 4.48Å; T81-L138 VanDerWaalsContact OG1-CD2 3.28Å; T81-L138 WeakPolarHBondContact OG1-CD2 3.12Å; L138-L160 HydrophobicContact CB-CD2 4.11Å; L138-G161 PolarHBondContact N-O 2.97Å; L138-G161 PolarHBondContact O-N 2.83Å; L138-V163 HydrophobicContact CB-CG2 4.18Å; L138-V163 HydrophobicContact CD1-CG2 3.43Å; L138-V163 VanDerWaalsContact CD1-CG2 3.43Å; L138-V163 HydrophobicContact CG-CG2 3.53Å |
| 139 | A | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 163.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V80 I112 L153 T154 T155 | V80-A139 HydrophobicContact CG2-CB 4.49Å; V80-A139 WeakPolarHBondContact CG2-O 3.22Å; V80-A139 PolarHBondContact N-O 3.2Å; V80-A139 PolarHBondContact O-N 3.02Å; I112-A139 HydrophobicContact CD1-CB 4.48Å; A139-L153 HydrophobicContact CB-CB 4Å; A139-L153 HydrophobicContact CB-CD1 4.37Å; A139-T154 CarbonylContact C-O 3.07Å; A139-T154 WeakPolarHBondContact CA-O 3.28Å; A139-T154 WeakPolarHBondContact CB-O 3.43Å; A139-T155 HydrophobicContact CB-CG2 3.87Å |
| 140 | K | 93.4 | Very high | 84.3 | Confident | 64 Ų | 64 | 56 Ų | 56 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.9 | 177.7 | -177.6 | 173.2 | 179.9 | 171.9 | 0 | 110.1 | G77 A78 I142 L153 T154 E157 L160 | G77-K140 WeakPolarHBondContact O-CE 3.33Å; A78-K140 WeakPolarHBondContact O-CA 3.43Å; K140-I142 PolarHBondContact O-N 2.85Å; K140-L153 CarbonylContact O-C 3.59Å; K140-L153 WeakPolarHBondContact O-CA 3.36Å; K140-T154 HydrophobicContact CB-CG2 3.96Å; K140-T154 PolarHBondContact N-O 3.01Å; K140-T154 PolarHBondContact O-N 2.98Å; K140-E157 VanDerWaalsContact CD-OE1 3.28Å; K140-E157 WeakPolarHBondContact CD-OE1 3.39Å; K140-E157 IonicContact NZ-OE1 2.75Å; K140-E157 PolarHBondContact NZ-OE1 2.89Å; K140-L160 HydrophobicContact CB-CD1 3.65Å |
| 141 | V | 92.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.3 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | P74 D75 G77 A78 V80 Y151 L153 | P74-V141 HydrophobicContact CB-CG2 4.05Å; D75-V141 WeakPolarHBondContact O-CB 3.41Å; G77-V141 WeakPolarHBondContact CA-O 3.4Å; G77-V141 PolarHBondContact N-O 3.44Å; A78-V141 PolarHBondContact O-N 3.06Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å; V80-V141 HydrophobicContact CG2-CG2 4.12Å; V141-Y151 HydrophobicContact CG1-CD1 4.01Å; V141-L153 HydrophobicContact CB-CD2 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.7Å |
| 142 | I | 90.4 | Very high | 84.4 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -45.4 | 172.5 | -56.7 | 167.5 | 0 | 0 | 0 | 110.2 | V76 K140 L152 T154 | V76-I142 WeakPolarHBondContact CG1-O 3.4Å; K140-I142 PolarHBondContact O-N 2.85Å; I142-L152 HydrophobicContact CB-CB 4.44Å; I142-L152 PolarHBondContact N-O 3.26Å; I142-T154 VanDerWaalsContact CD1-CB 3.49Å; I142-T154 HydrophobicContact CD1-CG2 3.97Å; I142-T154 HydrophobicContact CG1-CG2 3.64Å |
| 143 | S | 88 | Confident | 84.4 | Confident | 51 Ų | 51 | 54 Ų | 54 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 150.9 | -173.7 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | G145 L152 | S143-G145 VanDerWaalsContact C-N 3.28Å; S143-G145 PolarHBondContact O-N 2.78Å; S143-G145 PolarHBondContact OG-N 3.24Å; S143-L152 PolarHBondContact N-O 3.05Å; S143-L152 PolarHBondContact O-N 3.12Å |
| 144 | L | 82.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | trans | -74.1 | -18.9 | -179.4 | -57.4 | 171.4 | 0 | 0 | 0 | 112.6 | P74 V76 Y151 | P74-L144 VanDerWaalsContact O-CD2 3.24Å; P74-L144 WeakPolarHBondContact O-CD2 3.36Å; V76-L144 HydrophobicContact CG2-CG 4.34Å; L144-Y151 HydrophobicContact CD2-CD1 3.83Å; L144-Y151 HydrophobicContact CD2-CE1 3.24Å | ||
| 145 | G | 69.6 | Low | 84.5 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | trans | 74.6 | 134.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S143 | S143-G145 VanDerWaalsContact C-N 3.28Å; S143-G145 PolarHBondContact O-N 2.78Å; S143-G145 PolarHBondContact OG-N 3.24Å | ||
| 146 | D | 62.9 | Low | 84.4 | Confident | 172 Ų | 172 | 50.6 Ų | 50.6 | 92% | 0.92 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -92.7 | -27.1 | -163.8 | -135.7 | 0.6 | 0 | 0 | 0 | 114.7 | ||
| 147 | V | 58.1 | Low | 84.2 | Confident | 136 Ų | 136 | 51.6 Ų | 51.6 | 82% | 0.824 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -114.8 | -22 | -163.3 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 148 | Q | 61.9 | Low | 83.9 | Confident | 155 Ų | 155 | 58 Ų | 58 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -135.7 | 13.7 | -177.3 | -66.7 | -168.3 | -28.7 | 0 | 0 | 114.1 | T150 | Q148-T150 HydrophobicContact CB-CG2 3.96Å; Q148-T150 PolarHBondContact O-N 2.78Å; Q148-T150 VanDerWaalsContact O-N 3.11Å |
| 149 | S | 66 | Low | 83.7 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | trans | 50.6 | 35.2 | -173.6 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 150 | T | 83.4 | Confident | 83.6 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.6 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 109 | R109 Q148 L152 | R109-T150 HydrophobicContact CB-CG2 4.47Å; R109-T150 WeakPolarHBondContact O-CA 3.42Å; Q148-T150 HydrophobicContact CB-CG2 3.96Å; Q148-T150 PolarHBondContact O-N 2.78Å; Q148-T150 VanDerWaalsContact O-N 3.11Å; T150-L152 PolarHBondContact O-N 3.05Å |
| 151 | Y | 90.1 | Very high | 83.5 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 130.8 | 176.6 | -69.2 | -102.2 | 0 | 0 | 0 | 109.6 | P74 I96 F108 R109 G110 T111 V141 L144 | P74-Y151 HydrophobicContact CB-CD1 4.17Å; P74-Y151 HydrophobicContact CB-CE1 3.73Å; P74-Y151 HydrophobicContact CG-CD1 4.19Å; P74-Y151 HydrophobicContact CG-CE1 3.55Å; I96-Y151 HydrophobicContact CD1-CD1 4.39Å; I96-Y151 HydrophobicContact CD1-CD2 4.19Å; I96-Y151 HydrophobicContact CD1-CG 3.94Å; F108-Y151 HydrophobicContact CB-CD2 4.1Å; F108-Y151 HydrophobicContact CB-CE2 3.87Å; F108-Y151 AromaticContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CG-CE2 4.02Å; R109-Y151 PolarHBondContact O-N 3.17Å; G110-Y151 CarbonylContact C-O 3.46Å; G110-Y151 VanDerWaalsContact CA-O 3.28Å; G110-Y151 WeakPolarHBondContact CA-O 3.36Å; T111-Y151 PolarHBondContact N-O 2.78Å; V141-Y151 HydrophobicContact CG1-CD1 4.01Å; L144-Y151 HydrophobicContact CD2-CD1 3.83Å; L144-Y151 HydrophobicContact CD2-CE1 3.24Å |
| 152 | L | 92.1 | Very high | 83.5 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.4 | 169.7 | -73.5 | 169.2 | 0 | 0 | 0 | 108.3 | R113 I142 S143 T150 | R113-L152 HydrophobicContact CG-CD2 4.36Å; I142-L152 HydrophobicContact CB-CB 4.44Å; I142-L152 PolarHBondContact N-O 3.26Å; S143-L152 PolarHBondContact N-O 3.05Å; S143-L152 PolarHBondContact O-N 3.12Å; T150-L152 PolarHBondContact O-N 3.05Å |
| 153 | L | 93.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.8 | -175.2 | -58.3 | 177.9 | 0 | 0 | 0 | 109.6 | V80 V94 I96 T111 I112 A139 K140 V141 | V80-L153 HydrophobicContact CG2-CD1 4.41Å; V80-L153 HydrophobicContact CG2-CD2 3.82Å; V94-L153 HydrophobicContact CG2-CD1 3.4Å; I96-L153 HydrophobicContact CD1-CD1 4.47Å; I96-L153 HydrophobicContact CD1-CD2 4.34Å; I96-L153 HydrophobicContact CG1-CD1 4.34Å; T111-L153 PolarHBondContact O-N 3.31Å; I112-L153 HydrophobicContact CG1-CB 3.76Å; A139-L153 HydrophobicContact CB-CB 4Å; A139-L153 HydrophobicContact CB-CD1 4.37Å; K140-L153 CarbonylContact O-C 3.59Å; K140-L153 WeakPolarHBondContact O-CA 3.36Å; V141-L153 HydrophobicContact CB-CD2 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.7Å |
| 154 | T | 92.8 | Very high | 83.6 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.8 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | D116 A139 K140 I142 A156 | D116-T154 PolarHBondContact O-OG1 2.79Å; A139-T154 CarbonylContact C-O 3.07Å; A139-T154 WeakPolarHBondContact CA-O 3.28Å; A139-T154 WeakPolarHBondContact CB-O 3.43Å; K140-T154 HydrophobicContact CB-CG2 3.96Å; K140-T154 PolarHBondContact N-O 3.01Å; K140-T154 PolarHBondContact O-N 2.98Å; I142-T154 VanDerWaalsContact CD1-CB 3.49Å; I142-T154 HydrophobicContact CD1-CG2 3.97Å; I142-T154 HydrophobicContact CG1-CG2 3.64Å; T154-A156 WeakPolarHBondContact OG1-CB 3.48Å; T154-A156 PolarHBondContact OG1-N 3.36Å |
| 155 | T | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -114 | 8.8 | 166 | 58.8 | 0 | 0 | 0 | 0 | 111 | I112 D116 V117 F131 A139 E157 K193 | I112-T155 HydrophobicContact CD1-CG2 4.06Å; D116-T155 PolarHBondContact O-N 3.48Å; D116-T155 PolarHBondContact O-OG1 3.27Å; V117-T155 WeakPolarHBondContact CA-OG1 3.43Å; V117-T155 PolarHBondContact O-OG1 3.07Å; F131-T155 HydrophobicContact CZ-CG2 4.16Å; A139-T155 HydrophobicContact CB-CG2 3.87Å; T155-E157 PolarHBondContact O-N 3.34Å; T155-K193 PolarHBondContact O-NZ 3.49Å | ||
| 156 | A | 89.9 | Confident | 85 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | trans | -49.4 | -35.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D116 E119 T154 | D116-A156 PolarHBondContact O-N 2.9Å; E119-A156 HydrophobicContact CB-CB 4.29Å; T154-A156 WeakPolarHBondContact OG1-CB 3.48Å; T154-A156 PolarHBondContact OG1-N 3.36Å | ||
| 157 | E | 89.8 | Confident | 86.2 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -64.3 | 153.3 | 178.8 | -56.4 | 174 | -164 | 0 | 0 | 112.5 | K140 T155 E159 L160 | K140-E157 VanDerWaalsContact CD-OE1 3.28Å; K140-E157 WeakPolarHBondContact CD-OE1 3.39Å; K140-E157 IonicContact NZ-OE1 2.75Å; K140-E157 PolarHBondContact NZ-OE1 2.89Å; T155-E157 PolarHBondContact O-N 3.34Å; E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.37Å; E157-L160 HydrophobicContact CB-CB 4.37Å; E157-L160 HydrophobicContact CB-CD1 3.84Å; E157-L160 HydrophobicContact CB-CG 3.96Å; E157-L160 HydrophobicContact CG-CD1 4.06Å; E157-L160 PolarHBondContact O-N 3.01Å |
| 158 | N | 87.3 | Confident | 87.5 | Confident | 135 Ų | 135 | 49 Ų | 49 | 72% | 0.722 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26 | -177.5 | -68.6 | -35.9 | 0 | 0 | 0 | 113.6 | R196 | N158-R196 PolarHBondContact O-N 3.48Š|
| 159 | E | 88.4 | Confident | 88.5 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.2 | 177.3 | -56.8 | -175.4 | 157.7 | 0 | 0 | 111.6 | E157 A195 Q198 | E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.37Å; E159-A195 WeakPolarHBondContact O-CB 3.36Å; E159-Q198 PolarHBondContact OE1-NE2 3.5Å; E159-Q198 VanDerWaalsContact OE1-NE2 3.12Å |
| 160 | L | 91 | Very high | 89.4 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -104.3 | 137.2 | -178.3 | -58.2 | 178.1 | 0 | 0 | 0 | 111 | I79 L138 K140 E157 K193 | I79-L160 HydrophobicContact CG2-CD2 4.08Å; L138-L160 HydrophobicContact CB-CD2 4.11Å; K140-L160 HydrophobicContact CB-CD1 3.65Å; E157-L160 HydrophobicContact CB-CB 4.37Å; E157-L160 HydrophobicContact CB-CD1 3.84Å; E157-L160 HydrophobicContact CB-CG 3.96Å; E157-L160 HydrophobicContact CG-CD1 4.06Å; E157-L160 PolarHBondContact O-N 3.01Å; L160-K193 WeakPolarHBondContact O-CE 3.32Å | ||
| 161 | G | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -162.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V137 L138 V163 K193 | V137-G161 CarbonylContact C-O 3.5Å; V137-G161 VanDerWaalsContact CA-O 3.24Å; V137-G161 WeakPolarHBondContact CA-O 3.47Å; L138-G161 PolarHBondContact N-O 2.97Å; L138-G161 PolarHBondContact O-N 2.83Å; G161-V163 PolarHBondContact O-N 3.46Å; G161-K193 CarbonylContact C-O 3.58Å |
| 162 | V | 92.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.4 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | S130 F131 D135 V137 A165 M181 R192 K193 A195 | S130-V162 WeakPolarHBondContact O-CG2 3.4Å; F131-V162 HydrophobicContact CD1-CG2 3.75Å; F131-V162 HydrophobicContact CE1-CG2 4.11Å; D135-V162 HydrophobicContact CB-CG1 4.27Å; V137-V162 HydrophobicContact CG1-CB 4.39Å; V137-V162 HydrophobicContact CG1-CG2 3.84Å; V162-A165 HydrophobicContact CG1-CB 3.96Å; V162-M181 HydrophobicContact CB-CE 4.45Å; V162-M181 HydrophobicContact CG1-CE 4.06Å; V162-M181 HydrophobicContact CG1-SD 4.08Å; V162-R192 HydrophobicContact CG2-CB 4.33Å; V162-K193 WeakPolarHBondContact CB-O 3.22Å; V162-K193 WeakPolarHBondContact CG2-O 3.36Å; V162-K193 PolarHBondContact N-O 3.06Å; V162-A195 PolarHBondContact O-N 2.99Å |
| 163 | V | 90.3 | Very high | 89.4 | Confident | 45 Ų | 45 | 45 Ų | 45 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -45.7 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | I136 L138 G161 A195 V197 | I136-V163 PolarHBondContact O-N 3.31Å; L138-V163 HydrophobicContact CB-CG2 4.18Å; L138-V163 HydrophobicContact CD1-CG2 3.43Å; L138-V163 VanDerWaalsContact CD1-CG2 3.43Å; L138-V163 HydrophobicContact CG-CG2 3.53Å; G161-V163 PolarHBondContact O-N 3.46Å; V163-A195 HydrophobicContact CG2-CB 4Å; V163-V197 HydrophobicContact CG1-CG1 4.02Å |
| 164 | V | 89.7 | Confident | 89.2 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.6 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 109 | I136 Q172 | I136-V164 HydrophobicContact CB-CB 4Å; I136-V164 HydrophobicContact CG1-CB 4.13Å; I136-V164 PolarHBondContact N-O 2.75Å; I136-V164 PolarHBondContact O-N 3.09Å; V164-Q172 HydrophobicContact CG1-CG 4.28Å |
| 165 | A | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -131.6 | 143.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V162 Q172 M173 M181 R192 | V162-A165 HydrophobicContact CG1-CB 3.96Å; A165-Q172 WeakPolarHBondContact O-CA 3.33Å; A165-M173 HydrophobicContact CB-CB 4.42Å; A165-M173 HydrophobicContact CB-CE 3.5Å; A165-M173 VanDerWaalsContact CB-CE 3.5Å; A165-M173 PolarHBondContact O-N 3.44Å; A165-M181 HydrophobicContact CB-CE 4.41Å; A165-M181 HydrophobicContact CB-SD 3.48Å; A165-M181 WeakPolarHBondContact CB-SD 3.28Å; A165-R192 VanDerWaalsContact CB-NH1 3.33Å | ||
| 166 | H | 90 | Very high | 88.8 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 44% | 0.44 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -105.7 | 138.7 | 173.3 | -63.9 | 81.6 | 0 | 0 | 0 | 109.1 | ||
| 167 | S | 88.6 | Confident | 88.6 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | trans | -77.1 | 167.7 | 169.7 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | A169 G170 A171 C183 | S167-A169 PolarHBondContact O-N 2.92Å; S167-G170 PolarHBondContact O-N 2.93Å; S167-A171 PolarHBondContact N-O 3.24Å; S167-A171 PolarHBondContact OG-N 3.22Å; S167-A171 PolarHBondContact OG-O 2.85Å; S167-C183 PolarHBondContact OG-SG 3.18Å | ||
| 168 | E | 85 | Confident | 88.4 | Confident | 169 Ų | 169 | 63.3 Ų | 63.3 | 79% | 0.79 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.4 | 174 | -67.7 | 179.2 | 179.7 | 0 | 0 | 113.1 | R132 G170 | R132-E168 IonicContact NH1-OE1 3.92Å; R132-E168 PolarHBondContact NH1-OE1 3.24Å; E168-G170 PolarHBondContact O-N 3.27Å |
| 169 | A | 82.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | S167 A171 T186 | S167-A169 PolarHBondContact O-N 2.92Å; A169-A171 PolarHBondContact O-N 2.91Å; A169-T186 HydrophobicContact CB-CG2 4.18Å |
| 170 | G | 84.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 79.3 | -3.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S167 E168 | S167-G170 PolarHBondContact O-N 2.93Å; E168-G170 PolarHBondContact O-N 3.27Å |
| 171 | A | 88.5 | Confident | 88.3 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 142.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S167 A169 M173 Q185 | S167-A171 PolarHBondContact N-O 3.24Å; S167-A171 PolarHBondContact OG-N 3.22Å; S167-A171 PolarHBondContact OG-O 2.85Å; A169-A171 PolarHBondContact O-N 2.91Å; A171-M173 PolarHBondContact O-N 3.25Å; A171-Q185 HydrophobicContact CB-CG 4.27Å |
| 172 | Q | 88.6 | Confident | 88.3 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | B | Isolated β-bridge | trans | -64.6 | 129.8 | 172.8 | -176.7 | 174.4 | -20.1 | 0 | 0 | 110 | V164 A165 P184 | V164-Q172 HydrophobicContact CG1-CG 4.28Å; A165-Q172 WeakPolarHBondContact O-CA 3.33Å; Q172-P184 WeakPolarHBondContact O-CD 3.24Å |
| 173 | M | 89.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 150.9 | 179.6 | -61 | -163.1 | -71.2 | 0 | 0 | 111.7 | A165 A171 M181 C183 E190 R192 | A165-M173 HydrophobicContact CB-CB 4.42Å; A165-M173 HydrophobicContact CB-CE 3.5Å; A165-M173 VanDerWaalsContact CB-CE 3.5Å; A165-M173 PolarHBondContact O-N 3.44Å; A171-M173 PolarHBondContact O-N 3.25Å; M173-M181 HydrophobicContact CB-CB 3.96Å; M173-M181 HydrophobicContact CE-CB 4.03Å; M173-M181 HydrophobicContact CE-SD 4.46Å; M173-M181 HydrophobicContact SD-CB 4.25Å; M173-C183 HydrophobicContact CG-CB 4.4Å; M173-E190 HydrophobicContact CE-CB 4.23Å; M173-E190 HydrophobicContact SD-CB 4.2Å; M173-E190 HydrophobicContact SD-CG 4.2Å; M173-R192 HydrophobicContact CE-CG 4.42Å; M173-R192 VanDerWaalsContact CE-NH2 3.29Å |
| 174 | I | 89 | Confident | 88 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.5 | 179.8 | -56.9 | 171.9 | 0 | 0 | 0 | 108.5 | I176 M181 Q182 P184 | I174-I176 PolarHBondContact O-N 2.51Å; I174-M181 WeakPolarHBondContact O-CA 3.2Å; I174-Q182 PolarHBondContact N-O 3.33Å; I174-Q182 PolarHBondContact O-N 2.96Å; I174-P184 HydrophobicContact CD1-CB 4.12Å; I174-P184 HydrophobicContact CD1-CG 4.43Å |
| 175 | P | 88.7 | Confident | 88 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.1 | 173.7 | 29.2 | -34.2 | 0 | 0 | 0 | 110.7 | M181 V194 | P175-M181 HydrophobicContact CB-CE 4.3Å; P175-V194 HydrophobicContact CB-CG1 3.44Å; P175-V194 VanDerWaalsContact CB-CG1 3.44Å; P175-V194 HydrophobicContact CB-CG2 4.49Å |
| 176 | I | 87.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -36.7 | 173.3 | -63.8 | -167.6 | 0 | 0 | 0 | 110.6 | I174 E180 Q182 | I174-I176 PolarHBondContact O-N 2.51Å; I176-E180 PolarHBondContact N-O 3.33Å; I176-E180 VanDerWaalsContact N-O 3.08Å; I176-Q182 HydrophobicContact CD1-CB 3.24Å; I176-Q182 HydrophobicContact CD1-CG 3.96Å; I176-Q182 HydrophobicContact CG1-CB 3.84Å |
| 177 | S | 87 | Confident | 87.8 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 167.9 | -177.3 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | R179 E180 V194 | S177-R179 PolarHBondContact O-N 2.62Å; S177-E180 PolarHBondContact N-O 2.92Å; S177-E180 VanDerWaalsContact N-O 3.14Å; S177-E180 PolarHBondContact O-N 3.02Å; S177-E180 VanDerWaalsContact O-O 3.13Å; S177-V194 WeakPolarHBondContact O-CB 3.38Å; S177-V194 VanDerWaalsContact O-CG2 3.28Å; S177-V194 WeakPolarHBondContact O-CG2 3.4Å |
| 178 | W | 84.1 | Confident | 87.8 | Confident | 187 Ų | 187 | 74 Ų | 74 | 71% | 0.708 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -6.4 | 173.1 | 54.9 | 9.5 | 0 | 0 | 0 | 115.7 | ||
| 179 | R | 85.9 | Confident | 88.1 | Confident | 117 Ų | 117 | 72 Ų | 72 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -12.1 | -174.7 | -72.5 | 178.2 | -177.4 | -164.8 | -1.1 | 112.7 | S177 F191 R192 | S177-R179 PolarHBondContact O-N 2.62Å; R179-F191 VanDerWaalsContact O-CA 3.26Å; R179-F191 WeakPolarHBondContact O-CA 3.48Å; R179-R192 CarbonylContact C-O 3.55Å; R179-R192 VanDerWaalsContact CA-O 3.22Å; R179-R192 WeakPolarHBondContact CA-O 3.43Å; R179-R192 PolarHBondContact O-N 2.83Å |
| 180 | E | 89.5 | Confident | 88.4 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132 | -168.6 | -67.1 | -178.7 | -170.1 | 0 | 0 | 110.8 | I176 S177 E190 F191 | I176-E180 PolarHBondContact N-O 3.33Å; I176-E180 VanDerWaalsContact N-O 3.08Å; S177-E180 PolarHBondContact N-O 2.92Å; S177-E180 VanDerWaalsContact N-O 3.14Å; S177-E180 PolarHBondContact O-N 3.02Å; S177-E180 VanDerWaalsContact O-O 3.13Å; E180-E190 WeakPolarHBondContact CA-O 3.28Å; E180-F191 HydrophobicContact CG-CD1 3.84Å; E180-F191 HydrophobicContact CG-CE1 3.8Å; E180-F191 WeakPolarHBondContact OE1-CE1 3.36Å |
| 181 | M | 90.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.8 | 168.3 | -73.9 | 178.9 | 150.2 | 0 | 0 | 108.7 | V162 A165 M173 I174 P175 E190 R192 V194 | V162-M181 HydrophobicContact CB-CE 4.45Å; V162-M181 HydrophobicContact CG1-CE 4.06Å; V162-M181 HydrophobicContact CG1-SD 4.08Å; A165-M181 HydrophobicContact CB-CE 4.41Å; A165-M181 HydrophobicContact CB-SD 3.48Å; A165-M181 WeakPolarHBondContact CB-SD 3.28Å; M173-M181 HydrophobicContact CB-CB 3.96Å; M173-M181 HydrophobicContact CE-CB 4.03Å; M173-M181 HydrophobicContact CE-SD 4.46Å; M173-M181 HydrophobicContact SD-CB 4.25Å; I174-M181 WeakPolarHBondContact O-CA 3.2Å; P175-M181 HydrophobicContact CB-CE 4.3Å; M181-E190 PolarHBondContact N-O 2.78Å; M181-E190 PolarHBondContact O-N 3.45Å; M181-R192 HydrophobicContact CB-CG 4.44Å; M181-R192 HydrophobicContact CG-CB 4.27Å; M181-R192 HydrophobicContact CG-CG 4.39Å; M181-R192 HydrophobicContact SD-CB 3.93Å; M181-R192 HydrophobicContact SD-CG 3.93Å; M181-V194 HydrophobicContact CE-CB 4.46Å; M181-V194 HydrophobicContact CE-CG1 4.12Å; M181-V194 HydrophobicContact CE-CG2 3.89Å; M181-V194 HydrophobicContact CG-CG2 3.54Å; M181-V194 HydrophobicContact SD-CG2 4.13Å |
| 182 | Q | 90.1 | Very high | 88.8 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.7 | 177.9 | -178.6 | 169.5 | -35 | 0 | 0 | 110.3 | I174 I176 N187 A188 K189 | I174-Q182 PolarHBondContact N-O 3.33Å; I174-Q182 PolarHBondContact O-N 2.96Å; I176-Q182 HydrophobicContact CD1-CB 3.24Å; I176-Q182 HydrophobicContact CD1-CG 3.96Å; I176-Q182 HydrophobicContact CG1-CB 3.84Å; Q182-N187 PolarHBondContact NE2-OD1 2.89Å; Q182-A188 WeakPolarHBondContact CA-O 3.39Å; Q182-K189 HydrophobicContact CG-CG 4.45Å |
| 183 | C | 88.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -75.7 | 129 | 170.5 | 180 | 0 | 0 | 0 | 0 | 110.1 | S167 M173 Q185 T186 N187 A188 | S167-C183 PolarHBondContact OG-SG 3.18Å; M173-C183 HydrophobicContact CG-CB 4.4Å; C183-Q185 VanDerWaalsContact C-N 3.25Å; C183-Q185 PolarHBondContact O-N 3.05Å; C183-Q185 PolarHBondContact SG-N 3.37Å; C183-T186 VanDerWaalsContact CB-OG1 3.28Å; C183-T186 WeakPolarHBondContact CB-OG1 2.94Å; C183-T186 PolarHBondContact SG-OG1 3.27Å; C183-N187 VanDerWaalsContact O-CA 3.23Å; C183-N187 WeakPolarHBondContact O-CA 3.41Å; C183-N187 PolarHBondContact O-N 3.25Å; C183-A188 PolarHBondContact N-O 3.49Å; C183-A188 VanDerWaalsContact N-O 3.07Å | ||
| 184 | P | 89.6 | Confident | 88.8 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.5 | 178.7 | 26.6 | -34.4 | 0 | 0 | 0 | 113.5 | Q172 I174 | Q172-P184 WeakPolarHBondContact O-CD 3.24Å; I174-P184 HydrophobicContact CD1-CB 4.12Å; I174-P184 HydrophobicContact CD1-CG 4.43Å |
| 185 | Q | 89.4 | Confident | 88.7 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -47.5 | -178.1 | -67.5 | -172.4 | -31.7 | 0 | 0 | 112.8 | A171 C183 | A171-Q185 HydrophobicContact CB-CG 4.27Å; C183-Q185 VanDerWaalsContact C-N 3.25Å; C183-Q185 PolarHBondContact O-N 3.05Å; C183-Q185 PolarHBondContact SG-N 3.37Å |
| 186 | T | 88.1 | Confident | 88.3 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -12.2 | -175 | 62.3 | 0 | 0 | 0 | 0 | 113 | A169 C183 A188 | A169-T186 HydrophobicContact CB-CG2 4.18Å; C183-T186 VanDerWaalsContact CB-OG1 3.28Å; C183-T186 WeakPolarHBondContact CB-OG1 2.94Å; C183-T186 PolarHBondContact SG-OG1 3.27Å; T186-A188 PolarHBondContact O-N 3.3Å; T186-A188 WeakPolarHBondContact OG1-CB 3.34Å; T186-A188 PolarHBondContact OG1-N 3.4Å |
| 187 | N | 87.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 68.2 Ų | 68.2 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | trans | 54.5 | 14.8 | -169.6 | -65.6 | -61.2 | 0 | 0 | 0 | 114.3 | Q182 C183 K189 | Q182-N187 PolarHBondContact NE2-OD1 2.89Å; C183-N187 VanDerWaalsContact O-CA 3.23Å; C183-N187 WeakPolarHBondContact O-CA 3.41Å; C183-N187 PolarHBondContact O-N 3.25Å; N187-K189 PolarHBondContact O-N 3.12Å | ||
| 188 | A | 89.2 | Confident | 86 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | trans | -68.8 | 131.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q182 C183 T186 | Q182-A188 WeakPolarHBondContact CA-O 3.39Å; C183-A188 PolarHBondContact N-O 3.49Å; C183-A188 VanDerWaalsContact N-O 3.07Å; T186-A188 PolarHBondContact O-N 3.3Å; T186-A188 WeakPolarHBondContact OG1-CB 3.34Å; T186-A188 PolarHBondContact OG1-N 3.4Å | ||
| 189 | K | 90.5 | Very high | 84.5 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.2 | 175.4 | -64 | -175.5 | 179.4 | -172.9 | 0 | 109.4 | Q182 N187 | Q182-K189 HydrophobicContact CG-CG 4.45Å; N187-K189 PolarHBondContact O-N 3.12Å |
| 190 | E | 89.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.3 | 177.5 | -67.6 | -170.8 | -151.5 | 0 | 0 | 110.6 | R132 M173 E180 M181 R192 | R132-E190 IonicContact CZ-OE2 3.46Å; R132-E190 VanDerWaalsContact CZ-OE2 3.27Å; R132-E190 IonicContact NE-OE2 3.43Å; R132-E190 PolarHBondContact NE-OE2 2.63Å; R132-E190 IonicContact NH1-OE2 2.64Å; R132-E190 IonicContact NH2-OE2 3.95Å; M173-E190 HydrophobicContact CE-CB 4.23Å; M173-E190 HydrophobicContact SD-CB 4.2Å; M173-E190 HydrophobicContact SD-CG 4.2Å; E180-E190 WeakPolarHBondContact CA-O 3.28Å; M181-E190 PolarHBondContact N-O 2.78Å; M181-E190 PolarHBondContact O-N 3.45Å; E190-R192 PolarHBondContact O-N 2.88Å; E190-R192 IonicContact OE2-CZ 3.63Å; E190-R192 IonicContact OE2-NE 2.78Å; E190-R192 IonicContact OE2-NH2 3.42Å; E190-R192 PolarHBondContact OE2-NH2 2.9Å |
| 191 | F | 90.7 | Very high | 81 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.3 | 174.2 | -63.7 | -75.4 | 0 | 0 | 0 | 110.1 | K129 R179 E180 | K129-F191 HydrophobicContact CB-CB 4.19Å; K129-F191 CarbonylContact O-C 3.09Å; R179-F191 VanDerWaalsContact O-CA 3.26Å; R179-F191 WeakPolarHBondContact O-CA 3.48Å; E180-F191 HydrophobicContact CG-CD1 3.84Å; E180-F191 HydrophobicContact CG-CE1 3.8Å; E180-F191 WeakPolarHBondContact OE1-CE1 3.36Å |
| 192 | R | 90.6 | Very high | 79.1 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 1% | 0.011 | 39% | 0.389 | C | S | . | . | trans | -145.7 | 151.6 | 173.8 | -60.2 | -63.2 | 174.8 | 85.8 | 8.2 | 109.2 | K129 R132 D135 V162 A165 M173 R179 M181 E190 V194 | K129-R192 WeakPolarHBondContact O-CA 3.26Å; K129-R192 PolarHBondContact O-N 3.47Å; R132-R192 VanDerWaalsContact CD-NH2 3.27Å; D135-R192 IonicContact OD1-CZ 3.27Å; D135-R192 IonicContact OD1-NH1 3.43Å; D135-R192 PolarHBondContact OD1-NH1 3.14Å; D135-R192 IonicContact OD2-CZ 2.69Å; D135-R192 IonicContact OD2-NE 3.51Å; D135-R192 IonicContact OD2-NH1 3.54Å; D135-R192 PolarHBondContact OD2-NH1 3.08Å; V162-R192 HydrophobicContact CG2-CB 4.33Å; A165-R192 VanDerWaalsContact CB-NH1 3.33Å; M173-R192 HydrophobicContact CE-CG 4.42Å; M173-R192 VanDerWaalsContact CE-NH2 3.29Å; R179-R192 CarbonylContact C-O 3.55Å; R179-R192 VanDerWaalsContact CA-O 3.22Å; R179-R192 WeakPolarHBondContact CA-O 3.43Å; R179-R192 PolarHBondContact O-N 2.83Å; M181-R192 HydrophobicContact CB-CG 4.44Å; M181-R192 HydrophobicContact CG-CB 4.27Å; M181-R192 HydrophobicContact CG-CG 4.39Å; M181-R192 HydrophobicContact SD-CB 3.93Å; M181-R192 HydrophobicContact SD-CG 3.93Å; E190-R192 PolarHBondContact O-N 2.88Å; E190-R192 IonicContact OE2-CZ 3.63Å; E190-R192 IonicContact OE2-NE 2.78Å; E190-R192 IonicContact OE2-NH2 3.42Å; E190-R192 PolarHBondContact OE2-NH2 2.9Å; R192-V194 HydrophobicContact CB-CG2 4.39Å; R192-V194 PolarHBondContact O-N 3.44Å; R192-V194 VanDerWaalsContact O-N 3.09Å | ||
| 193 | K | 88.3 | Confident | 76.6 | Confident | 10 Ų | 10 | 85.6 Ų | 85.6 | 4% | 0.043 | 42% | 0.42 | C | S | . | . | trans | -80.1 | 91.2 | 169.3 | -173.2 | -169.1 | 170.3 | 176.6 | 0 | 108.6 | V117 S130 T155 L160 G161 V162 | V117-K193 HydrophobicContact CG1-CD 3.93Å; V117-K193 VanDerWaalsContact O-CD 3.32Å; V117-K193 WeakPolarHBondContact O-CD 3.37Å; V117-K193 WeakPolarHBondContact O-CE 3.45Å; V117-K193 PolarHBondContact O-NZ 2.78Å; S130-K193 PolarHBondContact O-N 3.26Å; T155-K193 PolarHBondContact O-NZ 3.49Å; L160-K193 WeakPolarHBondContact O-CE 3.32Å; G161-K193 CarbonylContact C-O 3.58Å; V162-K193 WeakPolarHBondContact CB-O 3.22Å; V162-K193 WeakPolarHBondContact CG2-O 3.36Å; V162-K193 PolarHBondContact N-O 3.06Å | ||
| 194 | V | 89.1 | Confident | 74.1 | Confident | 16 Ų | 16 | 93.4 Ų | 93.4 | 10% | 0.097 | 49% | 0.485 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 129.1 | -176.5 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | P175 S177 M181 R192 | P175-V194 HydrophobicContact CB-CG1 3.44Å; P175-V194 VanDerWaalsContact CB-CG1 3.44Å; P175-V194 HydrophobicContact CB-CG2 4.49Å; S177-V194 WeakPolarHBondContact O-CB 3.38Å; S177-V194 VanDerWaalsContact O-CG2 3.28Å; S177-V194 WeakPolarHBondContact O-CG2 3.4Å; M181-V194 HydrophobicContact CE-CB 4.46Å; M181-V194 HydrophobicContact CE-CG1 4.12Å; M181-V194 HydrophobicContact CE-CG2 3.89Å; M181-V194 HydrophobicContact CG-CG2 3.54Å; M181-V194 HydrophobicContact SD-CG2 4.13Å; R192-V194 HydrophobicContact CB-CG2 4.39Å; R192-V194 PolarHBondContact O-N 3.44Å; R192-V194 VanDerWaalsContact O-N 3.09Å |
| 195 | A | 87.4 | Confident | 73.3 | Confident | 3 Ų | 3 | 94.7 Ų | 94.7 | 3% | 0.025 | 49% | 0.487 | C | S | . | . | trans | -71.6 | 137.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E159 V162 V163 V197 | E159-A195 WeakPolarHBondContact O-CB 3.36Å; V162-A195 PolarHBondContact O-N 2.99Å; V163-A195 HydrophobicContact CG2-CB 4Å; A195-V197 PolarHBondContact O-N 2.75Å | ||
| 196 | R | 81.1 | Confident | 72.5 | Confident | 195 Ų | 195 | 92.3 Ų | 92.3 | 74% | 0.736 | 48% | 0.478 | S | S | * | . | trans | -72 | 96.1 | 169.1 | -172.3 | 179.1 | 179.5 | -176.5 | -1.9 | 108.8 | N158 Q198 | N158-R196 PolarHBondContact O-N 3.48Å; R196-Q198 PolarHBondContact O-N 2.96Å | ||
| 197 | V | 66.6 | Low | 71.6 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 38% | 0.376 | 48% | 0.478 | S | S | . | . | trans | -70.4 | 121.8 | 170.4 | -70.2 | 0 | 0 | 0 | 0 | 108.8 | V163 A195 L202 | V163-V197 HydrophobicContact CG1-CG1 4.02Å; A195-V197 PolarHBondContact O-N 2.75Å; V197-L202 HydrophobicContact CG2-CD1 4.21Å | ||
| 198 | Q | 58.5 | Low | 70.7 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | trans | -67.7 | 132.7 | 167.3 | -66.4 | 176.7 | 6.1 | 0 | 0 | 107.3 | E159 R196 E200 Y201 | E159-Q198 PolarHBondContact OE1-NE2 3.5Å; E159-Q198 VanDerWaalsContact OE1-NE2 3.12Å; R196-Q198 PolarHBondContact O-N 2.96Å; Q198-E200 PolarHBondContact O-N 3.07Å; Q198-E200 PolarHBondContact OE1-OE2 3.06Å; Q198-Y201 PolarHBondContact O-N 3.5Å | ||
| 199 | P | 52.6 | Low | 69.5 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -60.1 | -18.8 | -173.9 | 22.2 | -31.8 | 0 | 0 | 0 | 113.5 | Y201 L202 | P199-Y201 PolarHBondContact O-N 2.86Å; P199-Y201 VanDerWaalsContact O-N 3.12Å; P199-L202 PolarHBondContact O-N 2.78Å; P199-L202 VanDerWaalsContact O-N 3.17Å |
| 200 | E | 51.2 | Low | 68.1 | Low | 136 Ų | 136 | 93.3 Ų | 93.3 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -61 | -19.3 | 178 | -62.5 | 109.8 | -149.3 | 0 | 0 | 114.4 | Q198 | Q198-E200 PolarHBondContact O-N 3.07Å; Q198-E200 PolarHBondContact OE1-OE2 3.06Å |
| 201 | Y | 50.8 | Low | 66.6 | Low | 196 Ų | 196 | 98.6 Ų | 98.6 | 77% | 0.769 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -93.7 | -1.5 | 179.2 | -73.8 | -86.7 | 0 | 0 | 0 | 114.6 | Q198 P199 | Q198-Y201 PolarHBondContact O-N 3.5Å; P199-Y201 PolarHBondContact O-N 2.86Å; P199-Y201 VanDerWaalsContact O-N 3.12Å |
| 202 | L | 52.1 | Low | 64.7 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -98.2 | -10 | -178.6 | -82 | 156.8 | 0 | 0 | 0 | 113.8 | V197 P199 | V197-L202 HydrophobicContact CG2-CD1 4.21Å; P199-L202 PolarHBondContact O-N 2.78Å; P199-L202 VanDerWaalsContact O-N 3.17Å |
| 203 | E | 37.7 | Very low | 62.6 | Low | 181 Ų | 181 | 105.3 Ų | 105.3 | 85% | 0.846 | 54% | 0.544 | S | S | * | . | trans | -106.8 | 23.1 | -173.4 | -66.8 | -169.7 | 159.5 | 0 | 0 | 115 | ||||
| 204 | A | 35.3 | Very low | 60.2 | Low | 164 Ų | 164 | 114 Ų | 114 | 100% | 1.355 | 59% | 0.589 | S | S | * | * | trans | -103.2 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 204 of 204 residues in 249.9 ms
(Link to these results)