| 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 | 30.8 | Very low | 57.2 | Low | 238 Ų | 238 | 129.2 Ų | 129.2 | 100% | 1.172 | 68% | 0.682 | S | S | * | * | 0 | 110.7 | 0 | -82.9 | 172.7 | 179 | 0 | 0 | 108.4 | |||||
| 2 | N | 35.5 | Very low | 60 | Low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 65% | 0.653 | S | S | * | * | trans | -149 | 109.1 | 147.6 | -98.3 | -15.7 | 0 | 0 | 0 | 105.5 | ||||
| 3 | Q | 36 | Very low | 62.5 | Low | 192 Ų | 192 | 114.8 Ų | 114.8 | 90% | 0.897 | 61% | 0.609 | S | S | * | * | trans | -68.8 | 148.8 | -177.4 | -80.2 | 172.1 | -24.9 | 0 | 0 | 110.6 | S5 | Q3-S5 PolarHBondContact O-N 2.63Š| ||
| 4 | W | 36.4 | Very low | 64.5 | Low | 241 Ų | 241 | 116.9 Ų | 116.9 | 91% | 0.913 | 61% | 0.611 | S | S | * | * | trans | -62.5 | 123.6 | -177.9 | -68.2 | 33.7 | 0 | 0 | 0 | 111.4 | ||||
| 5 | S | 44.3 | Very low | 66.2 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | trans | -89.2 | 102.2 | 140.9 | 59 | 0 | 0 | 0 | 0 | 106.7 | Q3 T7 | Q3-S5 PolarHBondContact O-N 2.63Å; S5-T7 PolarHBondContact O-N 2.6Å | ||
| 6 | A | 49.1 | Very low | 67.3 | Low | 77 Ų | 77 | 109.2 Ų | 109.2 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -67.9 | 87.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | N8 | A6-N8 PolarHBondContact O-N 2.76Å; A6-N8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | T | 57.8 | Low | 68.2 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -59 | 116.3 | 164.6 | 16.9 | 0 | 0 | 0 | 0 | 106.8 | S5 A9 | S5-T7 PolarHBondContact O-N 2.6Å; T7-A9 PolarHBondContact O-N 3.26Å | ||
| 8 | N | 78.3 | Confident | 68.9 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | trans | -56.1 | 104.2 | 179.7 | -90.1 | -18.1 | 0 | 0 | 0 | 109.4 | A6 Y10 N30 | A6-N8 PolarHBondContact O-N 2.76Å; A6-N8 VanDerWaalsContact O-N 3.16Å; N8-Y10 WeakPolarHBondContact O-CD1 3.14Å; N8-Y10 PolarHBondContact O-N 3.2Å; N8-N30 PolarHBondContact O-ND2 2.94Å | ||
| 9 | A | 82.8 | Confident | 69.4 | Low | 61 Ų | 61 | 100.6 Ų | 100.6 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | trans | -76 | 127.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T7 N30 I86 | T7-A9 PolarHBondContact O-N 3.26Å; A9-N30 CarbonylContact C-O 3.5Å; A9-N30 WeakPolarHBondContact CA-O 3.49Å; A9-N30 WeakPolarHBondContact CB-O 3.37Å; A9-I86 HydrophobicContact CB-CD1 3.78Å | ||
| 10 | Y | 88 | Confident | 69.9 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 161.5 | -179 | 68.9 | -100.9 | 0 | 0 | 0 | 112.1 | N8 T12 S29 N30 | N8-Y10 WeakPolarHBondContact O-CD1 3.14Å; N8-Y10 PolarHBondContact O-N 3.2Å; Y10-T12 HydrophobicContact CD2-CG2 3.87Å; Y10-T12 HydrophobicContact CE2-CG2 4.01Å; Y10-S29 CarbonylContact O-C 3.53Å; Y10-S29 WeakPolarHBondContact O-CA 3.42Å; Y10-S29 WeakPolarHBondContact O-CB 3.46Å; Y10-N30 HydrophobicContact CD1-CB 3.54Å; Y10-N30 HydrophobicContact CE1-CB 3.27Å; Y10-N30 HydrophobicContact CE2-CB 4.35Å; Y10-N30 HydrophobicContact CG-CB 4.2Å; Y10-N30 PolarHBondContact N-O 3.42Å; Y10-N30 PolarHBondContact O-N 2.87Å |
| 11 | L | 90.6 | Very high | 70.6 | Confident | 3 Ų | 3 | 95.2 Ų | 95.2 | 2% | 0.016 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.7 | 165.2 | 178.3 | 65.2 | 0 | 0 | 0 | 106.7 | W27 T28 I36 A75 T77 I86 R88 | L11-W27 HydrophobicContact CD1-CB 4.17Å; L11-T28 CarbonylContact C-O 3.49Å; L11-T28 WeakPolarHBondContact CA-O 3.19Å; L11-I36 HydrophobicContact CD1-CD1 4.18Å; L11-A75 HydrophobicContact CD2-CB 3.99Å; L11-A75 WeakPolarHBondContact CD2-O 3.22Å; L11-T77 HydrophobicContact CD1-CG2 4.42Å; L11-T77 HydrophobicContact CD2-CG2 4.4Å; L11-I86 HydrophobicContact CB-CB 4.18Å; L11-I86 HydrophobicContact CB-CG2 3.63Å; L11-I86 WeakPolarHBondContact CD2-O 3.28Å; L11-R88 HydrophobicContact CB-CG 3.95Å; L11-R88 HydrophobicContact CD2-CB 4.11Å; L11-R88 HydrophobicContact CD2-CG 4.03Å; L11-R88 HydrophobicContact CG-CB 4.37Å; L11-R88 HydrophobicContact CG-CG 3.94Å; L11-R88 VanDerWaalsContact O-CG 3.24Å; L11-R88 WeakPolarHBondContact O-CG 3.43Å; L11-R88 PolarHBondContact O-NE 2.78Å |
| 12 | T | 90.4 | Very high | 73.3 | Confident | 55 Ų | 55 | 84.2 Ų | 84.2 | 34% | 0.337 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.5 | 165.6 | 79.3 | 0 | 0 | 0 | 0 | 108.5 | Y10 W27 T28 | Y10-T12 HydrophobicContact CD2-CG2 3.87Å; Y10-T12 HydrophobicContact CE2-CG2 4.01Å; T12-W27 WeakPolarHBondContact O-CA 3.33Å; T12-W27 VanDerWaalsContact O-CB 3.31Å; T12-W27 WeakPolarHBondContact O-CB 3.47Å; T12-T28 PolarHBondContact N-O 3.46Å; T12-T28 PolarHBondContact O-N 2.56Å; T12-T28 VanDerWaalsContact O-N 3.16Å; T12-T28 PolarHBondContact OG1-N 2.91Å; T12-T28 PolarHBondContact OG1-OG1 2.72Å |
| 13 | L | 92.8 | Very high | 75.9 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 128.1 | -179.5 | -177.1 | 64.1 | 0 | 0 | 0 | 107.4 | V25 W27 I73 A75 R88 V90 | L13-V25 HydrophobicContact CD1-CG1 3.46Å; L13-V25 VanDerWaalsContact CD1-CG1 3.46Å; L13-W27 HydrophobicContact CD1-CB 4.38Å; L13-I73 HydrophobicContact CD2-CG2 4.15Å; L13-A75 HydrophobicContact CD1-CB 3.81Å; L13-A75 HydrophobicContact CD2-CB 3.92Å; L13-A75 HydrophobicContact CG-CB 4.4Å; L13-R88 HydrophobicContact CB-CB 4.02Å; L13-R88 HydrophobicContact CD2-CB 4.28Å; L13-V90 HydrophobicContact CB-CG1 4.33Å; L13-V90 HydrophobicContact CD2-CG1 4.24Å; L13-V90 HydrophobicContact CD2-CG2 3.88Å; L13-V90 HydrophobicContact CG-CG1 4.24Å; L13-V90 HydrophobicContact CG-CG2 4.01Å |
| 14 | K | 89.8 | Confident | 78.5 | Confident | 144 Ų | 144 | 71.4 Ų | 71.4 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.2 | 175.1 | -67.3 | -177.3 | -179.3 | 179 | 0 | 108.2 | V25 D26 | K14-V25 CarbonylContact O-C 3.55Å; K14-V25 WeakPolarHBondContact O-CA 3.27Å; K14-D26 PolarHBondContact N-O 3.34Å; K14-D26 PolarHBondContact O-N 2.9Å |
| 15 | A | 90.1 | Very high | 81.2 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K24 I73 V90 V92 | A15-K24 CarbonylContact C-O 3.49Å; A15-K24 VanDerWaalsContact CA-O 3.29Å; A15-K24 WeakPolarHBondContact CA-O 3.12Å; A15-I73 HydrophobicContact CB-CD1 3.29Å; A15-V90 HydrophobicContact CB-CG2 3.91Å; A15-V92 HydrophobicContact CB-CG1 3.55Å |
| 16 | V | 84.7 | Confident | 83.6 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.5 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | I18 L23 K24 | V16-I18 PolarHBondContact O-N 2.89Å; V16-L23 CarbonylContact O-C 3.57Å; V16-L23 WeakPolarHBondContact O-CA 3.23Å; V16-K24 PolarHBondContact N-O 3.38Å; V16-K24 PolarHBondContact O-N 2.75Å |
| 17 | V | 82.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.7 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | N19 V92 Q93 F95 | V17-N19 WeakPolarHBondContact CG1-O 3.45Å; V17-V92 HydrophobicContact CG2-CB 4.23Å; V17-V92 HydrophobicContact CG2-CG2 4.43Å; V17-Q93 WeakPolarHBondContact CG2-O 2.97Å; V17-F95 HydrophobicContact CB-CD1 4.32Å; V17-F95 HydrophobicContact CB-CE1 3.69Å; V17-F95 HydrophobicContact CB-CE2 4.3Å; V17-F95 HydrophobicContact CB-CZ 3.67Å; V17-F95 HydrophobicContact CG1-CD1 3.77Å; V17-F95 HydrophobicContact CG1-CD2 3.86Å; V17-F95 HydrophobicContact CG1-CE1 3.56Å; V17-F95 HydrophobicContact CG1-CE2 3.68Å; V17-F95 HydrophobicContact CG1-CG 3.87Å; V17-F95 HydrophobicContact CG1-CZ 3.52Å; V17-F95 WeakPolarHBondContact O-CZ 3.48Å |
| 18 | I | 80.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 42% | 0.415 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -45.8 | -179.6 | -55.4 | 175.7 | 0 | 0 | 0 | 109.7 | V16 A22 K24 V61 F95 | V16-I18 PolarHBondContact O-N 2.89Å; I18-A22 HydrophobicContact CB-CB 4.26Å; I18-A22 HydrophobicContact CD1-CB 4.34Å; I18-A22 PolarHBondContact N-O 3.09Å; I18-K24 HydrophobicContact CD1-CB 3.91Å; I18-K24 HydrophobicContact CG1-CB 3.93Å; I18-V61 HydrophobicContact CD1-CB 4.47Å; I18-V61 HydrophobicContact CD1-CG1 3.66Å; I18-V61 HydrophobicContact CD1-CG2 4.02Å; I18-F95 WeakPolarHBondContact O-CE2 3.34Å |
| 19 | N | 77.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -172.6 | 177.5 | 60.5 | 39.8 | 0 | 0 | 0 | 109.5 | V17 T21 A22 | V17-N19 WeakPolarHBondContact CG1-O 3.45Å; N19-T21 PolarHBondContact O-N 3.08Å; N19-T21 VanDerWaalsContact O-N 3.1Å; N19-T21 WeakPolarHBondContact OD1-CA 3.48Å; N19-T21 PolarHBondContact OD1-N 2.96Å; N19-T21 PolarHBondContact OD1-OG1 3.28Å; N19-A22 PolarHBondContact N-O 3.28Å; N19-A22 WeakPolarHBondContact OD1-CB 3.26Å; N19-A22 PolarHBondContact OD1-N 3.09Å |
| 20 | S | 78.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.5 | 179.4 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | K66 P67 F95 | S20-K66 CarbonylContact O-C 3.41Å; S20-P67 VanDerWaalsContact O-CA 3.3Å; S20-P67 WeakPolarHBondContact O-CA 3.34Å; S20-F95 WeakPolarHBondContact CA-O 3.44Å; S20-F95 WeakPolarHBondContact CB-O 3.41Å |
| 21 | T | 84.9 | Confident | 87.8 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 10.5 | -174.5 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | N19 T63 N64 I65 P67 | N19-T21 PolarHBondContact O-N 3.08Å; N19-T21 VanDerWaalsContact O-N 3.1Å; N19-T21 WeakPolarHBondContact OD1-CA 3.48Å; N19-T21 PolarHBondContact OD1-N 2.96Å; N19-T21 PolarHBondContact OD1-OG1 3.28Å; T21-T63 CarbonylContact O-C 3.51Å; T21-T63 WeakPolarHBondContact O-CA 3.43Å; T21-N64 PolarHBondContact O-N 2.92Å; T21-I65 WeakPolarHBondContact CA-O 3.45Å; T21-I65 WeakPolarHBondContact O-CG1 3.06Å; T21-I65 PolarHBondContact O-N 3.15Å; T21-P67 HydrophobicContact CG2-CG 4.48Å |
| 22 | A | 87.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I18 N19 V61 I62 T63 | I18-A22 HydrophobicContact CB-CB 4.26Å; I18-A22 HydrophobicContact CD1-CB 4.34Å; I18-A22 PolarHBondContact N-O 3.09Å; N19-A22 PolarHBondContact N-O 3.28Å; N19-A22 WeakPolarHBondContact OD1-CB 3.26Å; N19-A22 PolarHBondContact OD1-N 3.09Å; A22-V61 HydrophobicContact CB-CG1 4.44Å; A22-I62 CarbonylContact C-O 3.52Å; A22-I62 WeakPolarHBondContact CA-O 3.46Å; A22-T63 HydrophobicContact CB-CG2 4.28Å |
| 23 | L | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.8 | 173.1 | 63.8 | 82.7 | 0 | 0 | 0 | 110.8 | V16 V25 V40 V61 I62 I65 I73 V92 | V16-L23 CarbonylContact O-C 3.57Å; V16-L23 WeakPolarHBondContact O-CA 3.23Å; L23-V25 HydrophobicContact CD1-CG2 3.28Å; L23-V40 HydrophobicContact CD2-CG1 4.46Å; L23-V61 WeakPolarHBondContact O-CA 3.2Å; L23-I62 HydrophobicContact CD1-CB 3.72Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; L23-I62 HydrophobicContact CG-CB 3.97Å; L23-I62 PolarHBondContact N-O 3.12Å; L23-I62 PolarHBondContact O-N 2.82Å; L23-I65 HydrophobicContact CB-CD1 3.81Å; L23-I65 HydrophobicContact CD2-CD1 3.66Å; L23-I65 HydrophobicContact CD2-CG2 4.27Å; L23-I65 HydrophobicContact CG-CD1 3.76Å; L23-I73 HydrophobicContact CD1-CD1 3.9Å; L23-I73 HydrophobicContact CD2-CD1 4.03Å; L23-V92 HydrophobicContact CD2-CG2 3.9Å |
| 24 | K | 91.1 | Very high | 87.1 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.3 | 176.4 | -169.7 | 172.5 | 69.3 | 178.5 | 0 | 109.2 | A15 V16 I18 P59 V61 | A15-K24 CarbonylContact C-O 3.49Å; A15-K24 VanDerWaalsContact CA-O 3.29Å; A15-K24 WeakPolarHBondContact CA-O 3.12Å; V16-K24 PolarHBondContact N-O 3.38Å; V16-K24 PolarHBondContact O-N 2.75Å; I18-K24 HydrophobicContact CD1-CB 3.91Å; I18-K24 HydrophobicContact CG1-CB 3.93Å; K24-P59 HydrophobicContact CD-CB 3.82Å; K24-P59 HydrophobicContact CD-CG 3.93Å; K24-P59 HydrophobicContact CG-CB 3.68Å; K24-P59 HydrophobicContact CG-CG 4.3Å; K24-V61 HydrophobicContact CG-CG2 4.42Å |
| 25 | V | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.7 | 175.4 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | L13 K14 L23 W27 L38 P59 H60 I62 I73 | L13-V25 HydrophobicContact CD1-CG1 3.46Å; L13-V25 VanDerWaalsContact CD1-CG1 3.46Å; K14-V25 CarbonylContact O-C 3.55Å; K14-V25 WeakPolarHBondContact O-CA 3.27Å; L23-V25 HydrophobicContact CD1-CG2 3.28Å; V25-W27 HydrophobicContact CG1-CE3 4.17Å; V25-W27 HydrophobicContact CG1-CZ3 4.42Å; V25-L38 HydrophobicContact CB-CD2 4.34Å; V25-L38 HydrophobicContact CG1-CD1 3.93Å; V25-L38 HydrophobicContact CG1-CD2 4.35Å; V25-L38 HydrophobicContact CG2-CD2 4.39Å; V25-P59 CarbonylContact O-C 3.54Å; V25-P59 WeakPolarHBondContact O-CA 3.19Å; V25-H60 PolarHBondContact N-O 3.48Å; V25-H60 PolarHBondContact O-N 2.86Å; V25-I62 HydrophobicContact CG2-CG1 4.17Å; V25-I73 HydrophobicContact CG1-CG2 4.02Å; V25-I73 HydrophobicContact CG2-CD1 4.2Å; V25-I73 HydrophobicContact CG2-CG2 4.14Å |
| 26 | D | 93.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.6 | 175.5 | -166.8 | 13.6 | 0 | 0 | 0 | 110.3 | K14 P59 | K14-D26 PolarHBondContact N-O 3.34Å; K14-D26 PolarHBondContact O-N 2.9Å; D26-P59 HydrophobicContact CB-CB 4.15Å |
| 27 | W | 92.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.4 | -177.5 | 59.7 | 82.5 | 0 | 0 | 0 | 112.7 | L11 T12 L13 V25 I36 L38 L53 G55 D57 R58 H60 | L11-W27 HydrophobicContact CD1-CB 4.17Å; T12-W27 WeakPolarHBondContact O-CA 3.33Å; T12-W27 VanDerWaalsContact O-CB 3.31Å; T12-W27 WeakPolarHBondContact O-CB 3.47Å; L13-W27 HydrophobicContact CD1-CB 4.38Å; V25-W27 HydrophobicContact CG1-CE3 4.17Å; V25-W27 HydrophobicContact CG1-CZ3 4.42Å; W27-I36 HydrophobicContact CG-CG1 4.36Å; W27-L38 HydrophobicContact CZ3-CD2 4.36Å; W27-L53 HydrophobicContact CH2-CB 4.3Å; W27-L53 HydrophobicContact CH2-CD1 3.62Å; W27-L53 HydrophobicContact CZ2-CB 4.37Å; W27-L53 HydrophobicContact CZ2-CD1 4.46Å; W27-L53 HydrophobicContact CZ3-CD1 4.24Å; W27-G55 PolarHBondContact NE1-O 2.88Å; W27-G55 VanDerWaalsContact NE1-O 3.16Å; W27-D57 WeakPolarHBondContact CH2-O 3.1Å; W27-R58 HydrophobicContact CD2-CB 4.14Å; W27-R58 HydrophobicContact CE3-CB 4.47Å; W27-R58 HydrophobicContact CH2-CB 4.19Å; W27-R58 HydrophobicContact CZ2-CB 3.83Å; W27-R58 HydrophobicContact CZ3-CB 4.49Å; W27-R58 WeakPolarHBondContact O-CD 3.34Å; W27-R58 PolarHBondContact O-NE 2.97Å; W27-R58 PolarHBondContact O-NH1 2.93Å; W27-H60 HydrophobicContact CH2-CB 3.79Å; W27-H60 HydrophobicContact CZ3-CB 3.8Å |
| 28 | T | 91.7 | Very high | 88.3 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.6 | 168.2 | 65.8 | 0 | 0 | 0 | 0 | 110 | L11 T12 | L11-T28 CarbonylContact C-O 3.49Å; L11-T28 WeakPolarHBondContact CA-O 3.19Å; T12-T28 PolarHBondContact N-O 3.46Å; T12-T28 PolarHBondContact O-N 2.56Å; T12-T28 VanDerWaalsContact O-N 3.16Å; T12-T28 PolarHBondContact OG1-N 2.91Å; T12-T28 PolarHBondContact OG1-OG1 2.72Å |
| 29 | S | 88.8 | Confident | 89 | Confident | 11 Ų | 11 | 47 Ų | 47 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.8 | 177.3 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | Y10 P31 A33 | Y10-S29 CarbonylContact O-C 3.53Å; Y10-S29 WeakPolarHBondContact O-CA 3.42Å; Y10-S29 WeakPolarHBondContact O-CB 3.46Å; S29-P31 CarbonylContact C-O 3.6Å; S29-P31 VanDerWaalsContact C-O 3.3Å; S29-P31 CarbonylContact O-C 3.55Å; S29-P31 PolarHBondContact OG-O 2.85Å; S29-A33 PolarHBondContact OG-N 2.82Å |
| 30 | N | 86 | Confident | 89.7 | Confident | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.6 | 167 | -175.5 | 29.6 | 0 | 0 | 0 | 108.4 | N8 A9 Y10 | N8-N30 PolarHBondContact O-ND2 2.94Å; A9-N30 CarbonylContact C-O 3.5Å; A9-N30 WeakPolarHBondContact CA-O 3.49Å; A9-N30 WeakPolarHBondContact CB-O 3.37Å; Y10-N30 HydrophobicContact CD1-CB 3.54Å; Y10-N30 HydrophobicContact CE1-CB 3.27Å; Y10-N30 HydrophobicContact CE2-CB 4.35Å; Y10-N30 HydrophobicContact CG-CB 4.2Å; Y10-N30 PolarHBondContact N-O 3.42Å; Y10-N30 PolarHBondContact O-N 2.87Å |
| 31 | P | 85 | Confident | 90.4 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | S | Bend | cis | -56.5 | 164 | -16.2 | 28.3 | -35 | 0 | 0 | 0 | 111.4 | S29 A33 | S29-P31 CarbonylContact C-O 3.6Å; S29-P31 VanDerWaalsContact C-O 3.3Å; S29-P31 CarbonylContact O-C 3.55Å; S29-P31 PolarHBondContact OG-O 2.85Å; P31-A33 PolarHBondContact O-N 2.84Å; P31-A33 VanDerWaalsContact O-N 3.11Å |
| 32 | V | 85.5 | Confident | 90.5 | Very high | 114 Ų | 114 | 42.2 Ų | 42.2 | 69% | 0.691 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -59.9 | 119.5 | 175.3 | 180 | 0 | 0 | 0 | 0 | 108.1 | ||
| 33 | A | 86.3 | Confident | 90.1 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S29 P31 S35 I36 G55 T77 | S29-A33 PolarHBondContact OG-N 2.82Å; P31-A33 PolarHBondContact O-N 2.84Å; P31-A33 VanDerWaalsContact O-N 3.11Å; A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 3.45Å; A33-I36 HydrophobicContact CB-CD1 3.67Å; A33-I36 HydrophobicContact CB-CG1 4.46Å; A33-G55 WeakPolarHBondContact O-CA 3.47Å; A33-T77 HydrophobicContact CB-CG2 3.97Å |
| 34 | E | 88.1 | Confident | 89.6 | Confident | 178 Ų | 178 | 52.3 Ų | 52.3 | 83% | 0.832 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -67.8 | -31.8 | 173.3 | -68 | -177 | 171.4 | 0 | 0 | 111.6 | A54 G55 | E34-A54 WeakPolarHBondContact O-CA 3.48Å; E34-G55 PolarHBondContact O-N 2.8Å |
| 35 | S | 90.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.9 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | A33 K52 L53 I78 | A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 3.45Å; S35-K52 WeakPolarHBondContact OG-CE 3.24Å; S35-L53 CarbonylContact C-O 3.59Å; S35-L53 WeakPolarHBondContact CA-O 3.44Å; S35-L53 WeakPolarHBondContact CB-O 3.45Å; S35-I78 PolarHBondContact O-N 2.85Å; S35-I78 VanDerWaalsContact O-N 3.15Å |
| 36 | I | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.4 | 176.6 | -62.8 | -61.4 | 0 | 0 | 0 | 107.9 | L11 W27 A33 K52 L53 A75 Q76 T77 | L11-I36 HydrophobicContact CD1-CD1 4.18Å; W27-I36 HydrophobicContact CG-CG1 4.36Å; A33-I36 HydrophobicContact CB-CD1 3.67Å; A33-I36 HydrophobicContact CB-CG1 4.46Å; I36-K52 WeakPolarHBondContact O-CA 3.25Å; I36-L53 PolarHBondContact N-O 2.76Å; I36-L53 PolarHBondContact O-N 2.93Å; I36-A75 HydrophobicContact CG2-CB 4Å; I36-Q76 CarbonylContact C-O 3.57Å; I36-Q76 WeakPolarHBondContact CA-O 3.39Å; I36-T77 HydrophobicContact CD1-CG2 3.78Å |
| 37 | K | 94.1 | Very high | 88.8 | Confident | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.2 | 162.4 | -175.2 | 175.9 | -178 | 176.8 | 0 | 107.7 | D50 G51 A75 Q76 I78 | K37-D50 WeakPolarHBondContact CE-OD1 3.11Å; K37-D50 IonicContact NZ-OD1 3.76Å; K37-G51 WeakPolarHBondContact CA-O 3.34Å; K37-A75 CarbonylContact O-C 3.59Å; K37-A75 WeakPolarHBondContact O-CA 3.27Å; K37-Q76 HydrophobicContact CB-CB 4.34Å; K37-Q76 PolarHBondContact N-O 2.81Å; K37-Q76 PolarHBondContact O-N 2.77Å; K37-I78 HydrophobicContact CB-CD1 4.24Å; K37-I78 HydrophobicContact CB-CG1 4.32Å |
| 38 | L | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.2 | 177.5 | -179.1 | 73.8 | 0 | 0 | 0 | 108.4 | V25 W27 F49 G51 L53 I62 I73 S74 A75 | V25-L38 HydrophobicContact CB-CD2 4.34Å; V25-L38 HydrophobicContact CG1-CD1 3.93Å; V25-L38 HydrophobicContact CG1-CD2 4.35Å; V25-L38 HydrophobicContact CG2-CD2 4.39Å; W27-L38 HydrophobicContact CZ3-CD2 4.36Å; L38-F49 HydrophobicContact CB-CD1 4.34Å; L38-F49 HydrophobicContact CB-CE1 3.92Å; L38-F49 HydrophobicContact CD2-CD1 4.19Å; L38-F49 HydrophobicContact CD2-CE1 4.01Å; L38-F49 HydrophobicContact CG-CD1 4.22Å; L38-F49 HydrophobicContact CG-CE1 4.17Å; L38-F49 WeakPolarHBondContact O-CD1 3.32Å; L38-F49 WeakPolarHBondContact O-CE1 3.36Å; L38-G51 PolarHBondContact N-O 3.45Å; L38-G51 PolarHBondContact O-N 2.74Å; L38-L53 HydrophobicContact CB-CD1 4.3Å; L38-L53 HydrophobicContact CD2-CD1 3.91Å; L38-I62 HydrophobicContact CD2-CD1 4.33Å; L38-I73 HydrophobicContact CD1-CG2 3.8Å; L38-S74 CarbonylContact C-O 3.56Å; L38-S74 WeakPolarHBondContact CA-O 3.31Å; L38-A75 HydrophobicContact CD1-CB 4.12Å |
| 39 | R | 94.3 | Very high | 88.8 | Confident | 86 Ų | 86 | 55 Ų | 55 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.7 | 176.3 | 179.9 | 172.5 | 177.8 | 156.3 | -13.4 | 110.5 | E41 F49 D50 S74 | R39-E41 HydrophobicContact CG-CG 3.89Å; R39-E41 IonicContact CZ-OE1 3.77Å; R39-E41 VanDerWaalsContact NE-CD 3.33Å; R39-E41 IonicContact NE-OE1 3.77Å; R39-E41 PolarHBondContact NE-OE1 2.85Å; R39-E41 IonicContact NH2-OE1 3.18Å; R39-E41 PolarHBondContact NH2-OE1 3.34Å; R39-F49 CarbonylContact C-O 3.52Å; R39-F49 VanDerWaalsContact CA-O 3.24Å; R39-F49 WeakPolarHBondContact CA-O 3.26Å; R39-D50 WeakPolarHBondContact CD-OD2 3.24Å; R39-D50 HydrophobicContact CG-CB 4.24Å; R39-D50 IonicContact CZ-OD2 2.68Å; R39-D50 IonicContact NE-OD2 3.73Å; R39-D50 IonicContact NH1-OD2 3.86Å; R39-D50 PolarHBondContact NH1-OD2 3.06Å; R39-S74 PolarHBondContact N-O 3.13Å; R39-S74 PolarHBondContact O-N 3.47Å; R39-S74 PolarHBondContact O-OG 2.89Å |
| 40 | V | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | L23 V48 F49 I62 Y71 S72 I73 | L23-V40 HydrophobicContact CD2-CG1 4.46Å; V40-V48 PolarHBondContact O-N 3.19Å; V40-F49 HydrophobicContact CB-CB 4.07Å; V40-F49 HydrophobicContact CG2-CB 4.16Å; V40-F49 PolarHBondContact N-O 2.97Å; V40-F49 PolarHBondContact O-N 3.48Å; V40-I62 HydrophobicContact CG2-CD1 4.35Å; V40-I62 HydrophobicContact CG2-CG1 4.13Å; V40-Y71 HydrophobicContact CG1-CD1 3.93Å; V40-Y71 HydrophobicContact CG1-CG 4.35Å; V40-S72 WeakPolarHBondContact CA-O 3.34Å; V40-I73 HydrophobicContact CG1-CG1 4.03Å; V40-I73 HydrophobicContact CG2-CB 4.5Å; V40-I73 HydrophobicContact CG2-CG1 4.07Å; V40-I73 HydrophobicContact CG2-CG2 4.15Å |
| 41 | E | 92.2 | Very high | 89.5 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.1 | -176.5 | -49.7 | -177.6 | 122.8 | 0 | 0 | 109.3 | R39 A46 V47 Y71 S72 | R39-E41 HydrophobicContact CG-CG 3.89Å; R39-E41 IonicContact CZ-OE1 3.77Å; R39-E41 VanDerWaalsContact NE-CD 3.33Å; R39-E41 IonicContact NE-OE1 3.77Å; R39-E41 PolarHBondContact NE-OE1 2.85Å; R39-E41 IonicContact NH2-OE1 3.18Å; R39-E41 PolarHBondContact NH2-OE1 3.34Å; E41-A46 CarbonylContact C-O 3.47Å; E41-A46 VanDerWaalsContact CA-O 3.3Å; E41-A46 WeakPolarHBondContact CA-O 3.4Å; E41-V47 HydrophobicContact CG-CG2 4.19Å; E41-Y71 CarbonylContact O-C 3.56Å; E41-Y71 VanDerWaalsContact O-CA 3.29Å; E41-Y71 WeakPolarHBondContact O-CA 3.45Å; E41-S72 PolarHBondContact N-O 3.06Å; E41-S72 PolarHBondContact O-N 3.21Å |
| 42 | S | 87.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 159.4 | 164.8 | 34.3 | 0 | 0 | 0 | 0 | 110.5 | D44 G45 A46 E70 Y71 | S42-D44 WeakPolarHBondContact CB-OD1 3.19Å; S42-D44 PolarHBondContact O-N 2.81Å; S42-D44 PolarHBondContact OG-OD1 3.24Å; S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.43Å; S42-A46 PolarHBondContact N-O 3.48Å; S42-A46 WeakPolarHBondContact OG-CB 3.23Å; S42-A46 PolarHBondContact OG-O 2.81Å; S42-A46 VanDerWaalsContact OG-O 3.11Å; S42-E70 WeakPolarHBondContact CA-O 3.33Å; S42-Y71 VanDerWaalsContact CB-CE1 3.5Å |
| 43 | L | 78.6 | Confident | 90.3 | Very high | 110 Ų | 110 | 55 Ų | 55 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.4 | 177 | -80.4 | 178.3 | 0 | 0 | 0 | 114.1 | G45 E70 | L43-G45 PolarHBondContact O-N 2.58Å; L43-E70 HydrophobicContact CD1-CB 3.46Å; L43-E70 VanDerWaalsContact CD1-CB 3.46Å; L43-E70 HydrophobicContact CD1-CG 4.18Å; L43-E70 WeakPolarHBondContact CD1-OE2 3.45Å; L43-E70 HydrophobicContact CG-CB 3.92Å; L43-E70 PolarHBondContact N-O 2.89Å; L43-E70 VanDerWaalsContact N-O 3.09Å |
| 44 | D | 79.9 | Confident | 90.5 | Very high | 109 Ų | 109 | 55.9 Ų | 55.9 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.2 | 170.7 | 66 | 1.4 | 0 | 0 | 0 | 113.1 | S42 A46 K66 | S42-D44 WeakPolarHBondContact CB-OD1 3.19Å; S42-D44 PolarHBondContact O-N 2.81Å; S42-D44 PolarHBondContact OG-OD1 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 3.32Å; D44-A46 PolarHBondContact OD1-N 2.86Å; D44-K66 IonicContact OD2-NZ 2.68Å |
| 45 | G | 81.7 | Confident | 90.5 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 90.3 | -0.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S42 L43 V47 | S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.43Å; L43-G45 PolarHBondContact O-N 2.58Å; G45-V47 PolarHBondContact O-N 3.4Å |
| 46 | A | 88.9 | Confident | 90.4 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | trans | -72.5 | 123.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E41 S42 D44 V48 | E41-A46 CarbonylContact C-O 3.47Å; E41-A46 VanDerWaalsContact CA-O 3.3Å; E41-A46 WeakPolarHBondContact CA-O 3.4Å; S42-A46 PolarHBondContact N-O 3.48Å; S42-A46 WeakPolarHBondContact OG-CB 3.23Å; S42-A46 PolarHBondContact OG-O 2.81Å; S42-A46 VanDerWaalsContact OG-O 3.11Å; D44-A46 WeakPolarHBondContact OD1-CB 3.32Å; D44-A46 PolarHBondContact OD1-N 2.86Å; A46-V48 PolarHBondContact O-N 2.81Å | ||
| 47 | V | 91.7 | Very high | 90.3 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 115.2 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | E41 G45 D50 | E41-V47 HydrophobicContact CG-CG2 4.19Å; G45-V47 PolarHBondContact O-N 3.4Å; V47-D50 HydrophobicContact CG1-CB 3.82Å |
| 48 | V | 90.6 | Very high | 90.1 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -28.2 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | V40 A46 I62 I65 Y71 | V40-V48 PolarHBondContact O-N 3.19Å; A46-V48 PolarHBondContact O-N 2.81Å; V48-I62 HydrophobicContact CG1-CG2 4.12Å; V48-I65 HydrophobicContact CB-CG2 4.46Å; V48-I65 HydrophobicContact CG1-CG2 3.8Å; V48-Y71 HydrophobicContact CB-CE1 4.4Å; V48-Y71 HydrophobicContact CG2-CD1 4.23Å; V48-Y71 HydrophobicContact CG2-CE1 3.43Å; V48-Y71 VanDerWaalsContact CG2-CE1 3.43Å |
| 49 | F | 94.2 | Very high | 90 | Very high | 44 Ų | 44 | 63 Ų | 63 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 132.2 | 175.6 | -176.9 | -87.3 | 0 | 0 | 0 | 109.7 | L38 R39 V40 L53 H60 I62 | L38-F49 HydrophobicContact CB-CD1 4.34Å; L38-F49 HydrophobicContact CB-CE1 3.92Å; L38-F49 HydrophobicContact CD2-CD1 4.19Å; L38-F49 HydrophobicContact CD2-CE1 4.01Å; L38-F49 HydrophobicContact CG-CD1 4.22Å; L38-F49 HydrophobicContact CG-CE1 4.17Å; L38-F49 WeakPolarHBondContact O-CD1 3.32Å; L38-F49 WeakPolarHBondContact O-CE1 3.36Å; R39-F49 CarbonylContact C-O 3.52Å; R39-F49 VanDerWaalsContact CA-O 3.24Å; R39-F49 WeakPolarHBondContact CA-O 3.26Å; V40-F49 HydrophobicContact CB-CB 4.07Å; V40-F49 HydrophobicContact CG2-CB 4.16Å; V40-F49 PolarHBondContact N-O 2.97Å; V40-F49 PolarHBondContact O-N 3.48Å; F49-L53 HydrophobicContact CE1-CD1 4.3Å; F49-L53 HydrophobicContact CE1-CG 4.49Å; F49-L53 HydrophobicContact CZ-CD1 4.08Å; F49-L53 HydrophobicContact CZ-CD2 4.02Å; F49-L53 HydrophobicContact CZ-CG 4.11Å; F49-H60 AromaticContact CE2-NE2 3.61Å; F49-H60 AromaticContact CZ-NE2 3.86Å; F49-I62 HydrophobicContact CB-CD1 3.76Å; F49-I62 HydrophobicContact CB-CG2 4.4Å; F49-I62 HydrophobicContact CD1-CD1 3.95Å; F49-I62 HydrophobicContact CD2-CD1 3.54Å; F49-I62 HydrophobicContact CE1-CD1 4.46Å; F49-I62 HydrophobicContact CE2-CD1 4.08Å; F49-I62 HydrophobicContact CG-CD1 3.46Å; F49-I62 VanDerWaalsContact CG-CD1 3.46Å |
| 50 | D | 94.2 | Very high | 90 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 110.3 | 165.2 | -169.8 | -16.5 | 0 | 0 | 0 | 107.1 | K37 R39 V47 | K37-D50 WeakPolarHBondContact CE-OD1 3.11Å; K37-D50 IonicContact NZ-OD1 3.76Å; R39-D50 WeakPolarHBondContact CD-OD2 3.24Å; R39-D50 HydrophobicContact CG-CB 4.24Å; R39-D50 IonicContact CZ-OD2 2.68Å; R39-D50 IonicContact NE-OD2 3.73Å; R39-D50 IonicContact NH1-OD2 3.86Å; R39-D50 PolarHBondContact NH1-OD2 3.06Å; V47-D50 HydrophobicContact CG1-CB 3.82Å |
| 51 | G | 94.1 | Very high | 90 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 155.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K37 L38 | K37-G51 WeakPolarHBondContact CA-O 3.34Å; L38-G51 PolarHBondContact N-O 3.45Å; L38-G51 PolarHBondContact O-N 2.74Å |
| 52 | K | 93.7 | Very high | 90 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.8 | 170.5 | 178.5 | 177.8 | -178.8 | -176.4 | 0 | 108.7 | S35 I36 I78 | S35-K52 WeakPolarHBondContact OG-CE 3.24Å; I36-K52 WeakPolarHBondContact O-CA 3.25Å; K52-I78 HydrophobicContact CB-CD1 4.36Å; K52-I78 HydrophobicContact CD-CD1 3.6Å; K52-I78 HydrophobicContact CG-CD1 3.6Å |
| 53 | L | 93.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 150 | 176.4 | -62.3 | 176.2 | 0 | 0 | 0 | 109.8 | W27 S35 I36 L38 F49 H60 | W27-L53 HydrophobicContact CH2-CB 4.3Å; W27-L53 HydrophobicContact CH2-CD1 3.62Å; W27-L53 HydrophobicContact CZ2-CB 4.37Å; W27-L53 HydrophobicContact CZ2-CD1 4.46Å; W27-L53 HydrophobicContact CZ3-CD1 4.24Å; S35-L53 CarbonylContact C-O 3.59Å; S35-L53 WeakPolarHBondContact CA-O 3.44Å; S35-L53 WeakPolarHBondContact CB-O 3.45Å; I36-L53 PolarHBondContact N-O 2.76Å; I36-L53 PolarHBondContact O-N 2.93Å; L38-L53 HydrophobicContact CB-CD1 4.3Å; L38-L53 HydrophobicContact CD2-CD1 3.91Å; F49-L53 HydrophobicContact CE1-CD1 4.3Å; F49-L53 HydrophobicContact CE1-CG 4.49Å; F49-L53 HydrophobicContact CZ-CD1 4.08Å; F49-L53 HydrophobicContact CZ-CD2 4.02Å; F49-L53 HydrophobicContact CZ-CG 4.11Å; L53-H60 HydrophobicContact CD1-CB 3.94Å |
| 54 | A | 91.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 144 | 169 | 0 | 0 | 0 | 0 | 0 | 108.7 | E34 K56 D57 | E34-A54 WeakPolarHBondContact O-CA 3.48Å; A54-K56 HydrophobicContact CB-CG 4.02Å; A54-K56 PolarHBondContact O-N 2.91Å; A54-D57 VanDerWaalsContact CB-OD2 3.25Å; A54-D57 WeakPolarHBondContact CB-OD2 3.29Å; A54-D57 PolarHBondContact N-OD2 3.37Å; A54-D57 WeakPolarHBondContact O-CB 3.22Å; A54-D57 PolarHBondContact O-N 2.88Å |
| 55 | G | 87.5 | Confident | 90.9 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | W27 A33 E34 | W27-G55 PolarHBondContact NE1-O 2.88Å; W27-G55 VanDerWaalsContact NE1-O 3.16Å; A33-G55 WeakPolarHBondContact O-CA 3.47Å; E34-G55 PolarHBondContact O-N 2.8Å |
| 56 | K | 89.2 | Confident | 91 | Very high | 174 Ų | 174 | 65.5 Ų | 65.5 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16 | 173.7 | 67.2 | 177.6 | -177.5 | 177.5 | 0 | 114.5 | A54 R58 | A54-K56 HydrophobicContact CB-CG 4.02Å; A54-K56 PolarHBondContact O-N 2.91Å; K56-R58 PolarHBondContact O-N 3.32Å |
| 57 | D | 91.6 | Very high | 90.5 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -80.8 | 50 | -176.3 | -61.1 | -18.5 | 0 | 0 | 0 | 110.9 | W27 A54 | W27-D57 WeakPolarHBondContact CH2-O 3.1Å; A54-D57 VanDerWaalsContact CB-OD2 3.25Å; A54-D57 WeakPolarHBondContact CB-OD2 3.29Å; A54-D57 PolarHBondContact N-OD2 3.37Å; A54-D57 WeakPolarHBondContact O-CB 3.22Å; A54-D57 PolarHBondContact O-N 2.88Å |
| 58 | R | 89.6 | Confident | 89.7 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | trans | -120.3 | 145.4 | -179.7 | 69 | 175 | -171.3 | -140 | -4 | 110.2 | W27 K56 | W27-R58 HydrophobicContact CD2-CB 4.14Å; W27-R58 HydrophobicContact CE3-CB 4.47Å; W27-R58 HydrophobicContact CH2-CB 4.19Å; W27-R58 HydrophobicContact CZ2-CB 3.83Å; W27-R58 HydrophobicContact CZ3-CB 4.49Å; W27-R58 WeakPolarHBondContact O-CD 3.34Å; W27-R58 PolarHBondContact O-NE 2.97Å; W27-R58 PolarHBondContact O-NH1 2.93Å; K56-R58 PolarHBondContact O-N 3.32Å | ||
| 59 | P | 92.4 | Very high | 89.3 | Confident | 71 Ų | 71 | 63.9 Ų | 63.9 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | S | Bend | cis | -69.5 | 154.2 | -10.1 | 31.3 | -35.5 | 0 | 0 | 0 | 111.6 | K24 V25 D26 | K24-P59 HydrophobicContact CD-CB 3.82Å; K24-P59 HydrophobicContact CD-CG 3.93Å; K24-P59 HydrophobicContact CG-CB 3.68Å; K24-P59 HydrophobicContact CG-CG 4.3Å; V25-P59 CarbonylContact O-C 3.54Å; V25-P59 WeakPolarHBondContact O-CA 3.19Å; D26-P59 HydrophobicContact CB-CB 4.15Å |
| 60 | H | 94.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.2 | 175.7 | -169.9 | 77.1 | 0 | 0 | 0 | 110.8 | V25 W27 F49 L53 I62 | V25-H60 PolarHBondContact N-O 3.48Å; V25-H60 PolarHBondContact O-N 2.86Å; W27-H60 HydrophobicContact CH2-CB 3.79Å; W27-H60 HydrophobicContact CZ3-CB 3.8Å; F49-H60 AromaticContact CE2-NE2 3.61Å; F49-H60 AromaticContact CZ-NE2 3.86Å; L53-H60 HydrophobicContact CD1-CB 3.94Å; H60-I62 VanDerWaalsContact CD2-CD1 3.45Å; H60-I62 WeakPolarHBondContact CD2-CD1 3.34Å |
| 61 | V | 93.4 | Very high | 88.6 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 42% | 0.418 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.4 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | I18 A22 L23 K24 T63 | I18-V61 HydrophobicContact CD1-CB 4.47Å; I18-V61 HydrophobicContact CD1-CG1 3.66Å; I18-V61 HydrophobicContact CD1-CG2 4.02Å; A22-V61 HydrophobicContact CB-CG1 4.44Å; L23-V61 WeakPolarHBondContact O-CA 3.2Å; K24-V61 HydrophobicContact CG-CG2 4.42Å; V61-T63 HydrophobicContact CG1-CG2 4.06Å |
| 62 | I | 92.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.9 | 172.8 | -54.1 | -67.5 | 0 | 0 | 0 | 107.1 | A22 L23 V25 L38 V40 V48 F49 H60 I65 | A22-I62 CarbonylContact C-O 3.52Å; A22-I62 WeakPolarHBondContact CA-O 3.46Å; L23-I62 HydrophobicContact CD1-CB 3.72Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; L23-I62 HydrophobicContact CG-CB 3.97Å; L23-I62 PolarHBondContact N-O 3.12Å; L23-I62 PolarHBondContact O-N 2.82Å; V25-I62 HydrophobicContact CG2-CG1 4.17Å; L38-I62 HydrophobicContact CD2-CD1 4.33Å; V40-I62 HydrophobicContact CG2-CD1 4.35Å; V40-I62 HydrophobicContact CG2-CG1 4.13Å; V48-I62 HydrophobicContact CG1-CG2 4.12Å; F49-I62 HydrophobicContact CB-CD1 3.76Å; F49-I62 HydrophobicContact CB-CG2 4.4Å; F49-I62 HydrophobicContact CD1-CD1 3.95Å; F49-I62 HydrophobicContact CD2-CD1 3.54Å; F49-I62 HydrophobicContact CE1-CD1 4.46Å; F49-I62 HydrophobicContact CE2-CD1 4.08Å; F49-I62 HydrophobicContact CG-CD1 3.46Å; F49-I62 VanDerWaalsContact CG-CD1 3.46Å; H60-I62 VanDerWaalsContact CD2-CD1 3.45Å; H60-I62 WeakPolarHBondContact CD2-CD1 3.34Å; I62-I65 HydrophobicContact CG2-CG2 4.08Å |
| 63 | T | 91 | Very high | 88.5 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 177.4 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | T21 A22 V61 I65 | T21-T63 CarbonylContact O-C 3.51Å; T21-T63 WeakPolarHBondContact O-CA 3.43Å; A22-T63 HydrophobicContact CB-CG2 4.28Å; V61-T63 HydrophobicContact CG1-CG2 4.06Å; T63-I65 PolarHBondContact O-N 3.13Å |
| 64 | N | 86 | Confident | 88.5 | Confident | 141 Ų | 141 | 54.7 Ų | 54.7 | 75% | 0.754 | 29% | 0.292 | S | S | * | . | trans | 60.7 | 27.1 | 177.4 | -55.4 | -26.6 | 0 | 0 | 0 | 114.2 | T21 | T21-N64 PolarHBondContact O-N 2.92Š| ||
| 65 | I | 87.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 152.3 | 166.2 | 55.2 | -176.4 | 0 | 0 | 0 | 109.5 | T21 L23 V48 I62 T63 Y71 T94 | T21-I65 WeakPolarHBondContact CA-O 3.45Å; T21-I65 WeakPolarHBondContact O-CG1 3.06Å; T21-I65 PolarHBondContact O-N 3.15Å; L23-I65 HydrophobicContact CB-CD1 3.81Å; L23-I65 HydrophobicContact CD2-CD1 3.66Å; L23-I65 HydrophobicContact CD2-CG2 4.27Å; L23-I65 HydrophobicContact CG-CD1 3.76Å; V48-I65 HydrophobicContact CB-CG2 4.46Å; V48-I65 HydrophobicContact CG1-CG2 3.8Å; I62-I65 HydrophobicContact CG2-CG2 4.08Å; T63-I65 PolarHBondContact O-N 3.13Å; I65-Y71 HydrophobicContact CB-CD2 4.41Å; I65-Y71 HydrophobicContact CB-CE1 4.42Å; I65-Y71 HydrophobicContact CB-CE2 3.65Å; I65-Y71 HydrophobicContact CG2-CD1 4.43Å; I65-Y71 HydrophobicContact CG2-CD2 4.43Å; I65-Y71 HydrophobicContact CG2-CE1 4.06Å; I65-Y71 HydrophobicContact CG2-CE2 4.01Å; I65-T94 HydrophobicContact CB-CG2 4.17Å; I65-T94 HydrophobicContact CD1-CG2 3.22Å; I65-T94 HydrophobicContact CG1-CG2 3.76Å |
| 66 | K | 83.1 | Confident | 88.8 | Confident | 114 Ų | 114 | 56.3 Ų | 56.3 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 142.8 | 177.3 | -68 | 177.8 | -176.1 | 170.6 | 0 | 109.6 | S20 D44 S69 Y71 T94 | S20-K66 CarbonylContact O-C 3.41Å; D44-K66 IonicContact OD2-NZ 2.68Å; K66-S69 VanDerWaalsContact CB-OG 3.27Å; K66-S69 WeakPolarHBondContact CB-OG 3.49Å; K66-S69 WeakPolarHBondContact O-CB 3.49Å; K66-Y71 PolarHBondContact N-OH 2.91Å; K66-T94 WeakPolarHBondContact O-CB 3.49Å; K66-T94 PolarHBondContact O-OG1 3.3Å |
| 67 | P | 79.6 | Confident | 88.8 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 17% | 0.169 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 158.1 | 167.4 | -21.6 | 31.8 | 0 | 0 | 0 | 112.5 | S20 T21 S69 T94 F95 E97 | S20-P67 VanDerWaalsContact O-CA 3.3Å; S20-P67 WeakPolarHBondContact O-CA 3.34Å; T21-P67 HydrophobicContact CG2-CG 4.48Å; P67-S69 PolarHBondContact O-N 3.28Å; P67-S69 PolarHBondContact O-OG 2.93Å; P67-T94 VanDerWaalsContact C-OG1 3.26Å; P67-F95 CarbonylContact C-O 3.4Å; P67-F95 WeakPolarHBondContact CA-O 3.47Å; P67-F95 VanDerWaalsContact CB-O 3.28Å; P67-F95 WeakPolarHBondContact CB-O 3.12Å; P67-E97 HydrophobicContact CB-CB 4.07Å; P67-E97 HydrophobicContact CB-CG 4.26Å; P67-E97 HydrophobicContact CG-CB 4.03Å; P67-E97 HydrophobicContact CG-CG 3.66Å |
| 68 | S | 74 | Confident | 88.4 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 31.5 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 114.8 | T94 F95 G96 | S68-T94 WeakPolarHBondContact CA-O 3.37Å; S68-T94 PolarHBondContact N-O 3.38Å; S68-T94 PolarHBondContact N-OG1 2.94Å; S68-T94 VanDerWaalsContact N-OG1 3.12Å; S68-F95 PolarHBondContact N-O 3.31Å; S68-G96 WeakPolarHBondContact OG-CA 3.19Å |
| 69 | S | 82.3 | Confident | 87.8 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | trans | -121.7 | 139.2 | -171.6 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | K66 P67 Y71 Q93 T94 | K66-S69 VanDerWaalsContact CB-OG 3.27Å; K66-S69 WeakPolarHBondContact CB-OG 3.49Å; K66-S69 WeakPolarHBondContact O-CB 3.49Å; P67-S69 PolarHBondContact O-N 3.28Å; P67-S69 PolarHBondContact O-OG 2.93Å; S69-Y71 WeakPolarHBondContact O-CD2 3.42Å; S69-Q93 WeakPolarHBondContact O-CA 3.4Å; S69-T94 PolarHBondContact N-OG1 3.18Å; S69-T94 PolarHBondContact O-N 3.15Å; S69-T94 PolarHBondContact O-OG1 2.57Å; S69-T94 VanDerWaalsContact O-OG1 3.12Å | ||
| 70 | E | 85.4 | Confident | 86.5 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.9 | 176.3 | -73.5 | -171.5 | 111.9 | 0 | 0 | 111.4 | S42 L43 V92 Q93 | S42-E70 WeakPolarHBondContact CA-O 3.33Å; L43-E70 HydrophobicContact CD1-CB 3.46Å; L43-E70 VanDerWaalsContact CD1-CB 3.46Å; L43-E70 HydrophobicContact CD1-CG 4.18Å; L43-E70 WeakPolarHBondContact CD1-OE2 3.45Å; L43-E70 HydrophobicContact CG-CB 3.92Å; L43-E70 PolarHBondContact N-O 2.89Å; L43-E70 VanDerWaalsContact N-O 3.09Å; E70-V92 CarbonylContact C-O 3.58Å; E70-V92 WeakPolarHBondContact CA-O 3.28Å; E70-Q93 HydrophobicContact CG-CB 4.07Å; E70-Q93 HydrophobicContact CG-CG 3.98Å |
| 71 | Y | 89.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.9 | -178.5 | -72.1 | -81.2 | 0 | 0 | 0 | 111.5 | V40 E41 S42 V48 I65 K66 S69 I91 V92 T94 | V40-Y71 HydrophobicContact CG1-CD1 3.93Å; V40-Y71 HydrophobicContact CG1-CG 4.35Å; E41-Y71 CarbonylContact O-C 3.56Å; E41-Y71 VanDerWaalsContact O-CA 3.29Å; E41-Y71 WeakPolarHBondContact O-CA 3.45Å; S42-Y71 VanDerWaalsContact CB-CE1 3.5Å; V48-Y71 HydrophobicContact CB-CE1 4.4Å; V48-Y71 HydrophobicContact CG2-CD1 4.23Å; V48-Y71 HydrophobicContact CG2-CE1 3.43Å; V48-Y71 VanDerWaalsContact CG2-CE1 3.43Å; I65-Y71 HydrophobicContact CB-CD2 4.41Å; I65-Y71 HydrophobicContact CB-CE1 4.42Å; I65-Y71 HydrophobicContact CB-CE2 3.65Å; I65-Y71 HydrophobicContact CG2-CD1 4.43Å; I65-Y71 HydrophobicContact CG2-CD2 4.43Å; I65-Y71 HydrophobicContact CG2-CE1 4.06Å; I65-Y71 HydrophobicContact CG2-CE2 4.01Å; K66-Y71 PolarHBondContact N-OH 2.91Å; S69-Y71 WeakPolarHBondContact O-CD2 3.42Å; Y71-I91 VanDerWaalsContact O-CA 3.31Å; Y71-I91 WeakPolarHBondContact O-CA 3.32Å; Y71-V92 PolarHBondContact N-O 2.91Å; Y71-V92 PolarHBondContact O-N 2.83Å; Y71-T94 HydrophobicContact CD2-CG2 3.72Å; Y71-T94 HydrophobicContact CE2-CG2 3.64Å |
| 72 | S | 90.9 | Very high | 83 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.9 | 167 | 153.1 | 0 | 0 | 0 | 0 | 109.3 | V40 E41 K89 | V40-S72 WeakPolarHBondContact CA-O 3.34Å; E41-S72 PolarHBondContact N-O 3.06Å; E41-S72 PolarHBondContact O-N 3.21Å; S72-K89 WeakPolarHBondContact OG-CE 3.22Å; S72-K89 PolarHBondContact OG-NZ 3.02Å |
| 73 | I | 93.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.5 | 177.7 | -57.5 | 164.8 | 0 | 0 | 0 | 107.9 | L13 A15 L23 V25 L38 V40 K89 V90 V92 | L13-I73 HydrophobicContact CD2-CG2 4.15Å; A15-I73 HydrophobicContact CB-CD1 3.29Å; L23-I73 HydrophobicContact CD1-CD1 3.9Å; L23-I73 HydrophobicContact CD2-CD1 4.03Å; V25-I73 HydrophobicContact CG1-CG2 4.02Å; V25-I73 HydrophobicContact CG2-CD1 4.2Å; V25-I73 HydrophobicContact CG2-CG2 4.14Å; L38-I73 HydrophobicContact CD1-CG2 3.8Å; V40-I73 HydrophobicContact CG1-CG1 4.03Å; V40-I73 HydrophobicContact CG2-CB 4.5Å; V40-I73 HydrophobicContact CG2-CG1 4.07Å; V40-I73 HydrophobicContact CG2-CG2 4.15Å; I73-K89 CarbonylContact O-C 3.56Å; I73-K89 VanDerWaalsContact O-CA 3.23Å; I73-K89 WeakPolarHBondContact O-CA 3.32Å; I73-V90 HydrophobicContact CB-CG2 3.84Å; I73-V90 HydrophobicContact CD1-CG2 4.27Å; I73-V90 HydrophobicContact CG2-CG2 4.35Å; I73-V90 PolarHBondContact N-O 2.83Å; I73-V90 PolarHBondContact O-N 3.07Å; I73-V92 HydrophobicContact CD1-CG1 4.29Å; I73-V92 HydrophobicContact CD1-CG2 3.65Å; I73-V92 HydrophobicContact CG1-CG2 4.49Å |
| 74 | S | 92.8 | Very high | 81.3 | Confident | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.3 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | L38 R39 Y87 R88 | L38-S74 CarbonylContact C-O 3.56Å; L38-S74 WeakPolarHBondContact CA-O 3.31Å; R39-S74 PolarHBondContact N-O 3.13Å; R39-S74 PolarHBondContact O-N 3.47Å; R39-S74 PolarHBondContact O-OG 2.89Å; S74-Y87 VanDerWaalsContact CB-OH 3.3Å; S74-Y87 WeakPolarHBondContact CB-OH 3.21Å; S74-R88 CarbonylContact C-O 3.59Å; S74-R88 VanDerWaalsContact CA-O 3.25Å; S74-R88 WeakPolarHBondContact CA-O 3.3Å |
| 75 | A | 93.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L11 L13 I36 K37 L38 Y87 R88 | L11-A75 HydrophobicContact CD2-CB 3.99Å; L11-A75 WeakPolarHBondContact CD2-O 3.22Å; L13-A75 HydrophobicContact CD1-CB 3.81Å; L13-A75 HydrophobicContact CD2-CB 3.92Å; L13-A75 HydrophobicContact CG-CB 4.4Å; I36-A75 HydrophobicContact CG2-CB 4Å; K37-A75 CarbonylContact O-C 3.59Å; K37-A75 WeakPolarHBondContact O-CA 3.27Å; L38-A75 HydrophobicContact CD1-CB 4.12Å; A75-Y87 WeakPolarHBondContact O-CA 3.49Å; A75-R88 PolarHBondContact N-O 2.76Å; A75-R88 PolarHBondContact O-N 2.9Å |
| 76 | Q | 92.1 | Very high | 81 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130.4 | -179.2 | -174.2 | -178.8 | 22.8 | 0 | 0 | 110.2 | I36 K37 P85 I86 | I36-Q76 CarbonylContact C-O 3.57Å; I36-Q76 WeakPolarHBondContact CA-O 3.39Å; K37-Q76 HydrophobicContact CB-CB 4.34Å; K37-Q76 PolarHBondContact N-O 2.81Å; K37-Q76 PolarHBondContact O-N 2.77Å; Q76-P85 HydrophobicContact CG-CB 3.66Å; Q76-P85 HydrophobicContact CG-CG 4.38Å; Q76-I86 WeakPolarHBondContact CA-O 3.25Å |
| 77 | T | 89.4 | Confident | 81.3 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.9 | 170.7 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | L11 A33 I36 P85 I86 | L11-T77 HydrophobicContact CD1-CG2 4.42Å; L11-T77 HydrophobicContact CD2-CG2 4.4Å; A33-T77 HydrophobicContact CB-CG2 3.97Å; I36-T77 HydrophobicContact CD1-CG2 3.78Å; T77-P85 WeakPolarHBondContact O-CB 3.22Å; T77-I86 HydrophobicContact CG2-CB 4.31Å; T77-I86 PolarHBondContact N-O 2.97Å; T77-I86 VanDerWaalsContact N-O 3.1Å; T77-I86 PolarHBondContact OG1-N 3.48Å |
| 78 | I | 83.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 35% | 0.354 | 38% | 0.375 | S | S | . | . | trans | -95.1 | 119 | 171.4 | -59.7 | 170.1 | 0 | 0 | 0 | 107 | S35 K37 K52 | S35-I78 PolarHBondContact O-N 2.85Å; S35-I78 VanDerWaalsContact O-N 3.15Å; K37-I78 HydrophobicContact CB-CD1 4.24Å; K37-I78 HydrophobicContact CB-CG1 4.32Å; K52-I78 HydrophobicContact CB-CD1 4.36Å; K52-I78 HydrophobicContact CD-CD1 3.6Å; K52-I78 HydrophobicContact CG-CD1 3.6Å | ||
| 79 | V | 76.1 | Confident | 82.7 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | trans | -116 | 139.8 | -176.4 | -124.4 | 0 | 0 | 0 | 0 | 110 | K83 P85 | V79-K83 HydrophobicContact CB-CB 3.73Å; V79-K83 HydrophobicContact CG1-CB 3.48Å; V79-K83 VanDerWaalsContact CG1-CB 3.48Å; V79-K83 HydrophobicContact CG1-CD 3.77Å; V79-K83 HydrophobicContact CG1-CG 4.26Å; V79-K83 HydrophobicContact CG2-CB 4.18Å; V79-P85 HydrophobicContact CG2-CB 4.14Å | ||
| 80 | G | 65.6 | Low | 83 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | trans | -72.5 | 171.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G82 | G80-G82 PolarHBondContact O-N 2.87Š| ||
| 81 | D | 55 | Low | 83 | Confident | 175 Ų | 175 | 72.7 Ų | 72.7 | 94% | 0.936 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -18.7 | 117 | -168.9 | -83.4 | -19.7 | 0 | 0 | 0 | 116.9 | K83 | D81-K83 PolarHBondContact O-N 2.88Š|
| 82 | G | 58.8 | Low | 82.7 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 92% | 0.918 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -8.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | G80 | G80-G82 PolarHBondContact O-N 2.87Š|
| 83 | K | 71.2 | Confident | 82.3 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 137.7 | 178.2 | -71.1 | 179.6 | -178.3 | 176.9 | 0 | 112.2 | V79 D81 | V79-K83 HydrophobicContact CB-CB 3.73Å; V79-K83 HydrophobicContact CG1-CB 3.48Å; V79-K83 VanDerWaalsContact CG1-CB 3.48Å; V79-K83 HydrophobicContact CG1-CD 3.77Å; V79-K83 HydrophobicContact CG1-CG 4.26Å; V79-K83 HydrophobicContact CG2-CB 4.18Å; D81-K83 PolarHBondContact O-N 2.88Å |
| 84 | R | 76.4 | Confident | 81.4 | Confident | 231 Ų | 231 | 78.9 Ų | 78.9 | 87% | 0.872 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -74 | 132 | 175.4 | -70.3 | -174.1 | 179.5 | 178.3 | 0.2 | 110.6 | ||
| 85 | P | 83.2 | Confident | 80 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 142.8 | 174.3 | 29.4 | -35.3 | 0 | 0 | 0 | 111.1 | Q76 T77 V79 | Q76-P85 HydrophobicContact CG-CB 3.66Å; Q76-P85 HydrophobicContact CG-CG 4.38Å; T77-P85 WeakPolarHBondContact O-CB 3.22Å; V79-P85 HydrophobicContact CG2-CB 4.14Å |
| 86 | I | 85.7 | Confident | 78.5 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.185 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 125.5 | 176 | -55.3 | 178.1 | 0 | 0 | 0 | 108.2 | A9 L11 Q76 T77 | A9-I86 HydrophobicContact CB-CD1 3.78Å; L11-I86 HydrophobicContact CB-CB 4.18Å; L11-I86 HydrophobicContact CB-CG2 3.63Å; L11-I86 WeakPolarHBondContact CD2-O 3.28Å; Q76-I86 WeakPolarHBondContact CA-O 3.25Å; T77-I86 HydrophobicContact CG2-CB 4.31Å; T77-I86 PolarHBondContact N-O 2.97Å; T77-I86 VanDerWaalsContact N-O 3.1Å; T77-I86 PolarHBondContact OG1-N 3.48Å |
| 87 | Y | 89.6 | Confident | 76.7 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137 | -178.2 | 179.4 | -93.4 | 0 | 0 | 0 | 111.8 | S74 A75 K89 | S74-Y87 VanDerWaalsContact CB-OH 3.3Å; S74-Y87 WeakPolarHBondContact CB-OH 3.21Å; A75-Y87 WeakPolarHBondContact O-CA 3.49Å; Y87-K89 HydrophobicContact CE1-CB 3.97Å |
| 88 | R | 90.8 | Very high | 75 | Confident | 124 Ų | 124 | 89.2 Ų | 89.2 | 47% | 0.468 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.2 | 172.2 | -70.9 | -66 | 177.4 | -122.2 | 12.7 | 111 | L11 L13 S74 A75 | L11-R88 HydrophobicContact CB-CG 3.95Å; L11-R88 HydrophobicContact CD2-CB 4.11Å; L11-R88 HydrophobicContact CD2-CG 4.03Å; L11-R88 HydrophobicContact CG-CB 4.37Å; L11-R88 HydrophobicContact CG-CG 3.94Å; L11-R88 VanDerWaalsContact O-CG 3.24Å; L11-R88 WeakPolarHBondContact O-CG 3.43Å; L11-R88 PolarHBondContact O-NE 2.78Å; L13-R88 HydrophobicContact CB-CB 4.02Å; L13-R88 HydrophobicContact CD2-CB 4.28Å; S74-R88 CarbonylContact C-O 3.59Å; S74-R88 VanDerWaalsContact CA-O 3.25Å; S74-R88 WeakPolarHBondContact CA-O 3.3Å; A75-R88 PolarHBondContact N-O 2.76Å; A75-R88 PolarHBondContact O-N 2.9Å |
| 89 | K | 91 | Very high | 73.9 | Confident | 113 Ų | 113 | 87 Ų | 87 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.8 | 178.9 | -168.9 | -179.2 | -170.8 | 174.8 | 0 | 110 | S72 I73 Y87 | S72-K89 WeakPolarHBondContact OG-CE 3.22Å; S72-K89 PolarHBondContact OG-NZ 3.02Å; I73-K89 CarbonylContact O-C 3.56Å; I73-K89 VanDerWaalsContact O-CA 3.23Å; I73-K89 WeakPolarHBondContact O-CA 3.32Å; Y87-K89 HydrophobicContact CE1-CB 3.97Å |
| 90 | V | 88.8 | Confident | 73.5 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.7 | 170.2 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | L13 A15 I73 | L13-V90 HydrophobicContact CB-CG1 4.33Å; L13-V90 HydrophobicContact CD2-CG1 4.24Å; L13-V90 HydrophobicContact CD2-CG2 3.88Å; L13-V90 HydrophobicContact CG-CG1 4.24Å; L13-V90 HydrophobicContact CG-CG2 4.01Å; A15-V90 HydrophobicContact CB-CG2 3.91Å; I73-V90 HydrophobicContact CB-CG2 3.84Å; I73-V90 HydrophobicContact CD1-CG2 4.27Å; I73-V90 HydrophobicContact CG2-CG2 4.35Å; I73-V90 PolarHBondContact N-O 2.83Å; I73-V90 PolarHBondContact O-N 3.07Å |
| 91 | I | 86.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 89 Ų | 89 | 54% | 0.538 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.9 | 175.2 | -60.2 | 174.1 | 0 | 0 | 0 | 107.8 | Y71 | Y71-I91 VanDerWaalsContact O-CA 3.31Å; Y71-I91 WeakPolarHBondContact O-CA 3.32Å |
| 92 | V | 83.6 | Confident | 75.5 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 12% | 0.121 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.8 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | A15 V17 L23 E70 Y71 I73 | A15-V92 HydrophobicContact CB-CG1 3.55Å; V17-V92 HydrophobicContact CG2-CB 4.23Å; V17-V92 HydrophobicContact CG2-CG2 4.43Å; L23-V92 HydrophobicContact CD2-CG2 3.9Å; E70-V92 CarbonylContact C-O 3.58Å; E70-V92 WeakPolarHBondContact CA-O 3.28Å; Y71-V92 PolarHBondContact N-O 2.91Å; Y71-V92 PolarHBondContact O-N 2.83Å; I73-V92 HydrophobicContact CD1-CG1 4.29Å; I73-V92 HydrophobicContact CD1-CG2 3.65Å; I73-V92 HydrophobicContact CG1-CG2 4.49Å |
| 93 | Q | 81 | Confident | 76.9 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.1 | 172.2 | -169.2 | 176.7 | 10.4 | 0 | 0 | 109.5 | V17 S69 E70 | V17-Q93 WeakPolarHBondContact CG2-O 2.97Å; S69-Q93 WeakPolarHBondContact O-CA 3.4Å; E70-Q93 HydrophobicContact CG-CB 4.07Å; E70-Q93 HydrophobicContact CG-CG 3.98Å |
| 94 | T | 74.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -76 | 155.4 | 176.1 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | I65 K66 P67 S68 S69 Y71 | I65-T94 HydrophobicContact CB-CG2 4.17Å; I65-T94 HydrophobicContact CD1-CG2 3.22Å; I65-T94 HydrophobicContact CG1-CG2 3.76Å; K66-T94 WeakPolarHBondContact O-CB 3.49Å; K66-T94 PolarHBondContact O-OG1 3.3Å; P67-T94 VanDerWaalsContact C-OG1 3.26Å; S68-T94 WeakPolarHBondContact CA-O 3.37Å; S68-T94 PolarHBondContact N-O 3.38Å; S68-T94 PolarHBondContact N-OG1 2.94Å; S68-T94 VanDerWaalsContact N-OG1 3.12Å; S69-T94 PolarHBondContact N-OG1 3.18Å; S69-T94 PolarHBondContact O-N 3.15Å; S69-T94 PolarHBondContact O-OG1 2.57Å; S69-T94 VanDerWaalsContact O-OG1 3.12Å; Y71-T94 HydrophobicContact CD2-CG2 3.72Å; Y71-T94 HydrophobicContact CE2-CG2 3.64Å |
| 95 | F | 64.9 | Low | 78.6 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 150.9 | 176.8 | -50 | -32.9 | 0 | 0 | 0 | 110.7 | V17 I18 S20 P67 S68 H137 P208 F209 | V17-F95 HydrophobicContact CB-CD1 4.32Å; V17-F95 HydrophobicContact CB-CE1 3.69Å; V17-F95 HydrophobicContact CB-CE2 4.3Å; V17-F95 HydrophobicContact CB-CZ 3.67Å; V17-F95 HydrophobicContact CG1-CD1 3.77Å; V17-F95 HydrophobicContact CG1-CD2 3.86Å; V17-F95 HydrophobicContact CG1-CE1 3.56Å; V17-F95 HydrophobicContact CG1-CE2 3.68Å; V17-F95 HydrophobicContact CG1-CG 3.87Å; V17-F95 HydrophobicContact CG1-CZ 3.52Å; V17-F95 WeakPolarHBondContact O-CZ 3.48Å; I18-F95 WeakPolarHBondContact O-CE2 3.34Å; S20-F95 WeakPolarHBondContact CA-O 3.44Å; S20-F95 WeakPolarHBondContact CB-O 3.41Å; P67-F95 CarbonylContact C-O 3.4Å; P67-F95 WeakPolarHBondContact CA-O 3.47Å; P67-F95 VanDerWaalsContact CB-O 3.28Å; P67-F95 WeakPolarHBondContact CB-O 3.12Å; S68-F95 PolarHBondContact N-O 3.31Å; F95-H137 AromaticContact CE1-CE1 3.83Å; F95-H137 AromaticContact CE1-NE2 3.91Å; F95-P208 HydrophobicContact CD1-CB 3.78Å; F95-P208 HydrophobicContact CD1-CG 3.69Å; F95-P208 HydrophobicContact CD2-CB 4.33Å; F95-P208 HydrophobicContact CE1-CB 3.27Å; F95-P208 HydrophobicContact CE1-CG 3.71Å; F95-P208 HydrophobicContact CE2-CB 3.88Å; F95-P208 HydrophobicContact CG-CB 4.32Å; F95-P208 HydrophobicContact CG-CG 4.19Å; F95-P208 HydrophobicContact CZ-CB 3.33Å; F95-P208 HydrophobicContact CZ-CG 4.19Å; F95-F209 HydrophobicContact CD2-CE2 4.31Å; F95-F209 HydrophobicContact CD2-CZ 4.16Å |
| 96 | G | 61.5 | Low | 79.2 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 155.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S68 V98 E99 | S68-G96 WeakPolarHBondContact OG-CA 3.19Å; G96-V98 PolarHBondContact O-N 3.13Å; G96-E99 PolarHBondContact O-N 2.68Å |
| 97 | E | 54 | Low | 79.5 | Confident | 156 Ų | 156 | 64.5 Ų | 64.5 | 73% | 0.729 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | -176.4 | -134.3 | 165.5 | -138.2 | 0 | 0 | 113.3 | P67 | P67-E97 HydrophobicContact CB-CB 4.07Å; P67-E97 HydrophobicContact CB-CG 4.26Å; P67-E97 HydrophobicContact CG-CB 4.03Å; P67-E97 HydrophobicContact CG-CG 3.66Å |
| 98 | V | 54.1 | Low | 79.6 | Confident | 128 Ų | 128 | 65 Ų | 65 | 78% | 0.776 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 4.6 | -171.4 | -168.5 | 0 | 0 | 0 | 0 | 112.7 | G96 T100 | G96-V98 PolarHBondContact O-N 3.13Å; V98-T100 PolarHBondContact O-N 2.89Å; V98-T100 VanDerWaalsContact O-N 3.14Å |
| 99 | E | 59.2 | Low | 79.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | trans | -78.6 | 106.2 | 178 | -60 | -166.6 | -171.5 | 0 | 0 | 109.8 | G96 S135 F209 | G96-E99 PolarHBondContact O-N 2.68Å; E99-S135 VanDerWaalsContact OE1-CB 3.23Å; E99-S135 WeakPolarHBondContact OE1-CB 3.35Å; E99-S135 PolarHBondContact OE1-N 2.79Å; E99-S135 PolarHBondContact OE1-OG 2.59Å; E99-S135 PolarHBondContact OE2-N 3.18Å; E99-F209 VanDerWaalsContact C-CE2 3.5Å; E99-F209 HydrophobicContact CB-CD2 4.02Å; E99-F209 HydrophobicContact CB-CE2 3.53Å; E99-F209 WeakPolarHBondContact O-CE2 3.24Å; E99-F209 WeakPolarHBondContact O-CZ 3.1Å | ||
| 100 | T | 68.2 | Low | 80.1 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 76% | 0.761 | 32% | 0.318 | S | S | * | . | trans | -125.8 | 0 | 174.2 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | V98 | V98-T100 PolarHBondContact O-N 2.89Å; V98-T100 VanDerWaalsContact O-N 3.14Å | ||
| 101 | A | 77.9 | Confident | 80.4 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -131.5 | 158.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G133 | A101-G133 CarbonylContact C-O 3.33Å; A101-G133 PolarHBondContact N-O 2.8Å; A101-G133 CarbonylContact O-C 3.3Å; A101-G133 VanDerWaalsContact O-C 3.23Å |
| 102 | P | 85.1 | Confident | 80.8 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 151.5 | 168.4 | -20.3 | 32.1 | 0 | 0 | 0 | 110.8 | G133 K211 | P102-G133 CarbonylContact O-C 3.52Å; P102-G133 WeakPolarHBondContact O-CA 3.49Å; P102-K211 WeakPolarHBondContact CB-O 3.45Å |
| 103 | P | 87.8 | Confident | 81.2 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -59 | 154.9 | 174.8 | 27.1 | -35 | 0 | 0 | 0 | 111.5 | V136 A205 S212 | P103-V136 HydrophobicContact CB-CG2 4Å; P103-A205 HydrophobicContact CB-CB 4.26Å; P103-A205 HydrophobicContact CG-CB 3.9Å; P103-S212 WeakPolarHBondContact O-CA 3.27Å; P103-S212 WeakPolarHBondContact O-CB 3.39Å |
| 104 | G | 90.6 | Very high | 81.7 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 167.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | P129 S132 S212 | G104-P129 WeakPolarHBondContact O-CB 3.07Å; G104-P129 WeakPolarHBondContact O-CG 3.46Å; G104-S132 PolarHBondContact N-O 3.01Å; G104-S212 VanDerWaalsContact O-CB 3.25Å; G104-S212 WeakPolarHBondContact O-CB 3.46Å |
| 105 | P | 93.8 | Very high | 82.4 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 148.4 | 177.5 | 27.3 | -33.9 | 0 | 0 | 0 | 112.4 | P129 T215 | P105-P129 WeakPolarHBondContact O-CA 3.5Å; P105-P129 WeakPolarHBondContact O-CB 3.46Å; P105-T215 WeakPolarHBondContact CB-OG1 3.07Å |
| 106 | P | 94.1 | Very high | 83.3 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 148.5 | 169.7 | -21.8 | 30 | 0 | 0 | 0 | 112.4 | W126 Y139 V203 A205 T215 | P106-W126 HydrophobicContact CB-CB 4.33Å; P106-W126 HydrophobicContact CB-CG 4.31Å; P106-Y139 HydrophobicContact CB-CE1 4.36Å; P106-Y139 HydrophobicContact CG-CD1 4.01Å; P106-Y139 HydrophobicContact CG-CE1 3.98Å; P106-V203 HydrophobicContact CB-CB 4.49Å; P106-V203 HydrophobicContact CB-CG1 4.24Å; P106-V203 HydrophobicContact CG-CB 4.11Å; P106-V203 HydrophobicContact CG-CG1 3.73Å; P106-A205 HydrophobicContact CG-CB 4.23Å; P106-T215 WeakPolarHBondContact CD-OG1 3.18Å; P106-T215 WeakPolarHBondContact O-CB 3.24Å; P106-T215 WeakPolarHBondContact O-CG2 3.45Å; P106-T215 PolarHBondContact O-OG1 3.49Å |
| 107 | R | 92.9 | Very high | 84.5 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 161.8 | -179 | -67.3 | -169.9 | -64.7 | 161.8 | 10.2 | 112.7 | L109 W126 G127 P128 | R107-L109 PolarHBondContact O-N 2.81Å; R107-W126 CarbonylContact O-C 3.53Å; R107-W126 WeakPolarHBondContact O-CA 3.39Å; R107-W126 WeakPolarHBondContact O-CB 3.43Å; R107-G127 PolarHBondContact N-O 2.98Å; R107-G127 PolarHBondContact O-N 3.49Å; R107-P128 PolarHBondContact NE-O 3.06Å; R107-P128 PolarHBondContact NH2-O 2.96Å |
| 108 | D | 92.4 | Very high | 86.1 | Confident | 125 Ų | 125 | 57.7 Ų | 57.7 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 36.7 | 167.1 | -49.6 | -43.8 | 0 | 0 | 0 | 113.4 | S110 | D108-S110 PolarHBondContact O-N 3.4Å; D108-S110 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 95.7 | Very high | 87.9 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 116.1 | 178.7 | -179.4 | 61.9 | 0 | 0 | 0 | 108.9 | R107 V124 A125 W126 V203 T215 A217 | R107-L109 PolarHBondContact O-N 2.81Å; L109-V124 HydrophobicContact CD1-CG1 3.57Å; L109-A125 CarbonylContact C-O 3.5Å; L109-A125 WeakPolarHBondContact CA-O 3.13Å; L109-W126 HydrophobicContact CD1-CB 4.09Å; L109-W126 HydrophobicContact CD1-CE3 4.25Å; L109-V203 HydrophobicContact CD1-CB 4.45Å; L109-V203 HydrophobicContact CD1-CG2 3.52Å; L109-V203 HydrophobicContact CD2-CB 4.49Å; L109-V203 HydrophobicContact CD2-CG2 4.04Å; L109-V203 HydrophobicContact CG-CG2 4.44Å; L109-T215 HydrophobicContact CB-CG2 3.55Å; L109-T215 HydrophobicContact CD2-CG2 3.98Å; L109-T215 WeakPolarHBondContact CD2-O 3.31Å; L109-T215 HydrophobicContact CG-CG2 4.43Å; L109-A217 HydrophobicContact CB-CB 4.41Å; L109-A217 HydrophobicContact CD2-CB 3.84Å; L109-A217 HydrophobicContact CG-CB 3.73Å |
| 110 | S | 94.9 | Very high | 89.6 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.7 | -175.8 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | D108 V124 A125 | D108-S110 PolarHBondContact O-N 3.4Å; D108-S110 VanDerWaalsContact O-N 3.08Å; S110-V124 CarbonylContact O-C 3.39Å; S110-V124 WeakPolarHBondContact O-CA 3.48Å; S110-A125 PolarHBondContact N-O 2.78Å; S110-A125 PolarHBondContact O-N 3.18Å; S110-A125 PolarHBondContact OG-O 2.89Å |
| 111 | L | 96.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.1 | 173.6 | -85 | 67 | 0 | 0 | 0 | 108.4 | R123 V124 F143 Y199 A201 A217 Q220 C221 | L111-R123 CarbonylContact C-O 3.52Å; L111-R123 WeakPolarHBondContact CA-O 3.22Å; L111-V124 HydrophobicContact CD1-CG1 4.27Å; L111-V124 HydrophobicContact CD1-CG2 4.36Å; L111-V124 HydrophobicContact CG-CG2 4.14Å; L111-F143 HydrophobicContact CD2-CE2 4.02Å; L111-Y199 WeakPolarHBondContact CD2-O 3.24Å; L111-A201 HydrophobicContact CD1-CB 3.72Å; L111-A201 HydrophobicContact CD2-CB 4.34Å; L111-A201 HydrophobicContact CG-CB 4.38Å; L111-A217 HydrophobicContact CD1-CB 3.53Å; L111-Q220 HydrophobicContact CB-CB 3.76Å; L111-Q220 VanDerWaalsContact O-CB 3.23Å; L111-Q220 WeakPolarHBondContact O-CB 2.97Å; L111-Q220 PolarHBondContact O-OE1 2.91Å; L111-C221 HydrophobicContact CD2-CB 4.34Å |
| 112 | R | 93.8 | Very high | 91.8 | Very high | 180 Ų | 180 | 49.6 Ų | 49.6 | 68% | 0.679 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 124.1 | 178.6 | 177.7 | 174 | 172.8 | 179.5 | -0.3 | 110.8 | I114 C122 R123 | R112-I114 PolarHBondContact O-N 2.9Å; R112-C122 CarbonylContact O-C 3.49Å; R112-C122 WeakPolarHBondContact O-CA 3.44Å; R112-R123 PolarHBondContact N-O 2.81Å; R112-R123 PolarHBondContact O-N 2.92Å |
| 113 | I | 92.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.2 | 166.2 | -66.7 | -64 | 0 | 0 | 0 | 108.5 | D115 Q116 R119 K121 C122 L193 C221 | I113-D115 VanDerWaalsContact CG2-O 3.29Å; I113-D115 WeakPolarHBondContact CG2-O 3.21Å; I113-Q116 PolarHBondContact O-NE2 3.21Å; I113-R119 HydrophobicContact CD1-CB 4.46Å; I113-R119 HydrophobicContact CG2-CB 4.24Å; I113-R119 HydrophobicContact CG2-CG 4.17Å; I113-K121 WeakPolarHBondContact CA-O 3.41Å; I113-C122 HydrophobicContact CD1-CB 4.4Å; I113-L193 HydrophobicContact CD1-CD2 4.34Å; I113-C221 HydrophobicContact CD1-CB 3.77Å; I113-C221 HydrophobicContact CG1-CB 4.33Å |
| 114 | I | 91.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -93 | -43.9 | 179.2 | -50.3 | 175.7 | 0 | 0 | 0 | 109.3 | R112 Q116 K121 R123 E189 | R112-I114 PolarHBondContact O-N 2.9Å; I114-Q116 PolarHBondContact O-N 2.8Å; I114-K121 HydrophobicContact CB-CB 4.24Å; I114-K121 PolarHBondContact N-O 3.38Å; I114-R123 HydrophobicContact CD1-CB 3.81Å; I114-R123 HydrophobicContact CG1-CB 3.92Å; I114-E189 HydrophobicContact CD1-CB 4.33Å; I114-E189 HydrophobicContact CD1-CG 3.89Å |
| 115 | D | 88.4 | Confident | 92.9 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | trans | -94.6 | 92.8 | 179.5 | 65.6 | -28.4 | 0 | 0 | 0 | 111.3 | I113 V117 S118 R119 T120 K121 | I113-D115 VanDerWaalsContact CG2-O 3.29Å; I113-D115 WeakPolarHBondContact CG2-O 3.21Å; D115-V117 PolarHBondContact O-N 3.34Å; D115-V117 VanDerWaalsContact O-N 3.11Å; D115-S118 WeakPolarHBondContact OD2-CB 3.43Å; D115-S118 PolarHBondContact OD2-OG 2.98Å; D115-R119 WeakPolarHBondContact O-CA 3.32Å; D115-R119 PolarHBondContact O-N 2.89Å; D115-R119 VanDerWaalsContact OD1-CA 3.24Å; D115-R119 WeakPolarHBondContact OD1-CA 3.3Å; D115-R119 PolarHBondContact OD1-N 2.77Å; D115-R119 PolarHBondContact OD2-N 2.95Å; D115-T120 PolarHBondContact OD1-N 3.36Å; D115-T120 WeakPolarHBondContact OD2-CA 3.14Å; D115-T120 WeakPolarHBondContact OD2-CB 3.46Å; D115-T120 PolarHBondContact OD2-N 2.96Å; D115-T120 PolarHBondContact OD2-OG1 3.04Å; D115-K121 HydrophobicContact CB-CB 4.34Å; D115-K121 HydrophobicContact CB-CG 4.49Å; D115-K121 VanDerWaalsContact CG-N 3.34Å; D115-K121 WeakPolarHBondContact OD1-CA 3.48Å; D115-K121 WeakPolarHBondContact OD1-CB 3.48Å; D115-K121 PolarHBondContact OD1-N 2.94Å; D115-K121 PolarHBondContact OD2-N 3.43Å | ||
| 116 | Q | 85.3 | Confident | 93 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.9 | -169.3 | -59.4 | -55.7 | -71.7 | 0 | 0 | 114.6 | I113 I114 R119 Y370 I379 | I113-Q116 PolarHBondContact O-NE2 3.21Å; I114-Q116 PolarHBondContact O-N 2.8Å; Q116-R119 VanDerWaalsContact O-CG 3.31Å; Q116-R119 WeakPolarHBondContact O-CG 3.49Å; Q116-Y370 WeakPolarHBondContact O-CE1 3.25Å; Q116-I379 HydrophobicContact CB-CD1 3.82Å; Q116-I379 HydrophobicContact CB-CG1 4.5Å |
| 117 | V | 85.4 | Confident | 92.9 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 35% | 0.352 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -61.5 | -176.1 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | D115 Y370 W383 | D115-V117 PolarHBondContact O-N 3.34Å; D115-V117 VanDerWaalsContact O-N 3.11Å; V117-Y370 WeakPolarHBondContact O-CE1 3.46Å; V117-Y370 PolarHBondContact O-OH 3.28Å; V117-W383 HydrophobicContact CG2-CE3 3.86Å; V117-W383 HydrophobicContact CG2-CZ3 4.22Å |
| 118 | S | 88.1 | Confident | 92.8 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.1 | -179.5 | 43.1 | 0 | 0 | 0 | 0 | 113.4 | D115 T120 | D115-S118 WeakPolarHBondContact OD2-CB 3.43Å; D115-S118 PolarHBondContact OD2-OG 2.98Å; S118-T120 PolarHBondContact O-N 2.8Å |
| 119 | R | 92.7 | Very high | 92.6 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | trans | 54.4 | 33.7 | 178.4 | -50.9 | -177.1 | 63.5 | 95.6 | -4.9 | 113.8 | I113 D115 Q116 L222 T223 V369 Y370 | I113-R119 HydrophobicContact CD1-CB 4.46Å; I113-R119 HydrophobicContact CG2-CB 4.24Å; I113-R119 HydrophobicContact CG2-CG 4.17Å; D115-R119 WeakPolarHBondContact O-CA 3.32Å; D115-R119 PolarHBondContact O-N 2.89Å; D115-R119 VanDerWaalsContact OD1-CA 3.24Å; D115-R119 WeakPolarHBondContact OD1-CA 3.3Å; D115-R119 PolarHBondContact OD1-N 2.77Å; D115-R119 PolarHBondContact OD2-N 2.95Å; Q116-R119 VanDerWaalsContact O-CG 3.31Å; Q116-R119 WeakPolarHBondContact O-CG 3.49Å; R119-L222 VanDerWaalsContact CZ-O 3.22Å; R119-L222 PolarHBondContact NE-O 3.3Å; R119-L222 PolarHBondContact NH2-O 2.71Å; R119-T223 VanDerWaalsContact O-CG2 3.28Å; R119-T223 WeakPolarHBondContact O-CG2 3.35Å; R119-V369 PolarHBondContact NH1-O 3.01Å; R119-V369 PolarHBondContact NH2-O 2.86Å; R119-Y370 HydrophobicContact CG-CE1 4.08Å | ||
| 120 | T | 94.5 | Very high | 92 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | trans | -96.1 | 0.5 | 178.9 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | D115 S118 E191 G192 L193 | D115-T120 PolarHBondContact OD1-N 3.36Å; D115-T120 WeakPolarHBondContact OD2-CA 3.14Å; D115-T120 WeakPolarHBondContact OD2-CB 3.46Å; D115-T120 PolarHBondContact OD2-N 2.96Å; D115-T120 PolarHBondContact OD2-OG1 3.04Å; S118-T120 PolarHBondContact O-N 2.8Å; T120-E191 CarbonylContact O-C 3.56Å; T120-G192 PolarHBondContact O-N 2.9Å; T120-G192 VanDerWaalsContact O-N 3.08Å; T120-L193 WeakPolarHBondContact O-CD1 3.28Å; T120-L193 PolarHBondContact O-N 2.75Å | ||
| 121 | K | 95.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132 | -178.5 | -57.3 | -167.7 | -178.7 | -163.1 | 0 | 112.3 | I113 I114 D115 F190 E191 | I113-K121 WeakPolarHBondContact CA-O 3.41Å; I114-K121 HydrophobicContact CB-CB 4.24Å; I114-K121 PolarHBondContact N-O 3.38Å; D115-K121 HydrophobicContact CB-CB 4.34Å; D115-K121 HydrophobicContact CB-CG 4.49Å; D115-K121 VanDerWaalsContact CG-N 3.34Å; D115-K121 WeakPolarHBondContact OD1-CA 3.48Å; D115-K121 WeakPolarHBondContact OD1-CB 3.48Å; D115-K121 PolarHBondContact OD1-N 2.94Å; D115-K121 PolarHBondContact OD2-N 3.43Å; K121-F190 CarbonylContact C-O 3.57Å; K121-F190 VanDerWaalsContact CA-O 3.24Å; K121-F190 WeakPolarHBondContact CA-O 3.48Å; K121-E191 HydrophobicContact CD-CG 3.97Å; K121-E191 VanDerWaalsContact CE-OE1 3.27Å; K121-E191 WeakPolarHBondContact CE-OE1 3.3Å; K121-E191 HydrophobicContact CG-CB 4.35Å; K121-E191 HydrophobicContact CG-CG 4.04Å; K121-E191 IonicContact NZ-OE1 2.86Å; K121-E191 PolarHBondContact NZ-OE1 2.87Å; K121-E191 IonicContact NZ-OE2 3.91Å |
| 122 | C | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.6 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | R112 I113 F143 E189 F190 L193 C221 | R112-C122 CarbonylContact O-C 3.49Å; R112-C122 WeakPolarHBondContact O-CA 3.44Å; I113-C122 HydrophobicContact CD1-CB 4.4Å; C122-F143 HydrophobicContact CB-CZ 3.88Å; C122-E189 WeakPolarHBondContact O-CA 3.41Å; C122-F190 PolarHBondContact N-O 2.91Å; C122-F190 PolarHBondContact O-N 2.94Å; C122-L193 HydrophobicContact CB-CD1 4.35Å; C122-L193 HydrophobicContact CB-CD2 3.66Å; C122-C221 HydrophobicContact CB-CB 3.81Å; C122-C221 WeakPolarHBondContact CB-SG 3.41Å; C122-C221 WeakPolarHBondContact SG-CB 3.42Å; C122-C221 CovalentContact SG-SG 2.03Å; C122-C221 PolarHBondContact SG-SG 2.9Å |
| 123 | R | 95.7 | Very high | 87.5 | Confident | 98 Ų | 98 | 45 Ų | 45 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.9 | 169.6 | -174.3 | 178.1 | -77.4 | -178.8 | -4.6 | 109.4 | L111 R112 I114 F187 C188 E189 | L111-R123 CarbonylContact C-O 3.52Å; L111-R123 WeakPolarHBondContact CA-O 3.22Å; R112-R123 PolarHBondContact N-O 2.81Å; R112-R123 PolarHBondContact O-N 2.92Å; I114-R123 HydrophobicContact CD1-CB 3.81Å; I114-R123 HydrophobicContact CG1-CB 3.92Å; R123-F187 HydrophobicContact CG-CB 4.2Å; R123-F187 HydrophobicContact CG-CD2 4.17Å; R123-F187 HydrophobicContact CG-CG 4.5Å; R123-C188 WeakPolarHBondContact CA-O 3.4Å; R123-E189 HydrophobicContact CB-CG 4.37Å; R123-E189 HydrophobicContact CG-CG 4.21Å; R123-E189 IonicContact CZ-OE1 3.72Å; R123-E189 IonicContact NE-OE1 2.64Å; R123-E189 PolarHBondContact NE-OE1 3.38Å; R123-E189 IonicContact NH2-OE1 3.04Å; R123-E189 PolarHBondContact NH2-OE1 3.3Å |
| 124 | V | 96.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.5 | 167.3 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | L109 S110 L111 W126 F143 F187 C188 F190 A201 | L109-V124 HydrophobicContact CD1-CG1 3.57Å; S110-V124 CarbonylContact O-C 3.39Å; S110-V124 WeakPolarHBondContact O-CA 3.48Å; L111-V124 HydrophobicContact CD1-CG1 4.27Å; L111-V124 HydrophobicContact CD1-CG2 4.36Å; L111-V124 HydrophobicContact CG-CG2 4.14Å; V124-W126 HydrophobicContact CB-CZ3 4.38Å; V124-W126 HydrophobicContact CG1-CE3 3.99Å; V124-W126 HydrophobicContact CG1-CZ3 3.95Å; V124-W126 WeakPolarHBondContact O-CZ3 3.35Å; V124-F143 HydrophobicContact CG2-CD2 3.58Å; V124-F143 HydrophobicContact CG2-CE2 3.73Å; V124-F143 HydrophobicContact CG2-CG 4.41Å; V124-F187 CarbonylContact O-C 3.49Å; V124-F187 WeakPolarHBondContact O-CA 3.4Å; V124-F187 VanDerWaalsContact O-CB 3.28Å; V124-F187 WeakPolarHBondContact O-CB 3.38Å; V124-C188 PolarHBondContact N-O 3.19Å; V124-C188 PolarHBondContact O-N 3.1Å; V124-F190 HydrophobicContact CB-CE2 4.08Å; V124-F190 HydrophobicContact CG2-CD2 3.89Å; V124-F190 HydrophobicContact CG2-CE2 3.52Å; V124-A201 HydrophobicContact CG1-CB 3.74Å; V124-A201 HydrophobicContact CG2-CB 4Å |
| 125 | A | 95.2 | Very high | 85.8 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L109 S110 V185 T186 F187 | L109-A125 CarbonylContact C-O 3.5Å; L109-A125 WeakPolarHBondContact CA-O 3.13Å; S110-A125 PolarHBondContact N-O 2.78Å; S110-A125 PolarHBondContact O-N 3.18Å; S110-A125 PolarHBondContact OG-O 2.89Å; A125-V185 HydrophobicContact CB-CG1 3.97Å; A125-T186 WeakPolarHBondContact CA-O 3.36Å; A125-F187 HydrophobicContact CB-CB 3.87Å |
| 126 | W | 95 | Very high | 85.7 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 152.1 | 179.1 | 62.1 | 95.3 | 0 | 0 | 0 | 111.8 | P106 R107 L109 V124 Y139 V141 V175 T186 V203 | P106-W126 HydrophobicContact CB-CB 4.33Å; P106-W126 HydrophobicContact CB-CG 4.31Å; R107-W126 CarbonylContact O-C 3.53Å; R107-W126 WeakPolarHBondContact O-CA 3.39Å; R107-W126 WeakPolarHBondContact O-CB 3.43Å; L109-W126 HydrophobicContact CD1-CB 4.09Å; L109-W126 HydrophobicContact CD1-CE3 4.25Å; V124-W126 HydrophobicContact CB-CZ3 4.38Å; V124-W126 HydrophobicContact CG1-CE3 3.99Å; V124-W126 HydrophobicContact CG1-CZ3 3.95Å; V124-W126 WeakPolarHBondContact O-CZ3 3.35Å; W126-Y139 AromaticContact CD1-CE1 3.94Å; W126-Y139 HydrophobicContact CZ2-CD2 4.07Å; W126-Y139 HydrophobicContact CZ2-CG 4.09Å; W126-Y139 AromaticContact NE1-CD1 3.49Å; W126-Y139 AromaticContact NE1-CD2 3.4Å; W126-Y139 AromaticContact NE1-CE1 3.56Å; W126-Y139 AromaticContact NE1-CE2 3.47Å; W126-Y139 AromaticContact NE1-CG 3.41Å; W126-Y139 AromaticContact NE1-CZ 3.57Å; W126-V141 HydrophobicContact CH2-CG2 3.52Å; W126-V141 HydrophobicContact CZ2-CG2 3.94Å; W126-V141 HydrophobicContact CZ3-CG2 4.17Å; W126-V175 HydrophobicContact CH2-CG1 4.29Å; W126-V175 HydrophobicContact CZ2-CG1 4.08Å; W126-T186 HydrophobicContact CH2-CG2 4Å; W126-T186 HydrophobicContact CZ2-CG2 3.38Å; W126-T186 PolarHBondContact N-O 2.66Å; W126-T186 PolarHBondContact O-N 2.7Å; W126-V203 HydrophobicContact CD2-CG1 4.02Å; W126-V203 HydrophobicContact CD2-CG2 4.19Å; W126-V203 HydrophobicContact CE3-CG2 4.04Å; W126-V203 HydrophobicContact CG-CG1 4.25Å; W126-V203 HydrophobicContact CZ2-CG1 4.22Å; W126-V203 HydrophobicContact CZ3-CG2 4.38Å |
| 127 | G | 92 | Very high | 85.7 | Confident | 6 Ų | 6 | 47 Ų | 47 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 164.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R107 | R107-G127 PolarHBondContact N-O 2.98Å; R107-G127 PolarHBondContact O-N 3.49Å |
| 128 | P | 90.3 | Very high | 86 | Confident | 40 Ų | 40 | 46.9 Ų | 46.9 | 26% | 0.26 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 157.4 | 176.3 | 30.8 | -35.6 | 0 | 0 | 0 | 110.7 | R107 N184 | R107-P128 PolarHBondContact NE-O 3.06Å; R107-P128 PolarHBondContact NH2-O 2.96Å; P128-N184 WeakPolarHBondContact CD-O 3.47Å; P128-N184 HydrophobicContact CG-CB 4.4Å |
| 129 | P | 89.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 152.8 | 171.3 | -22.2 | 33.9 | 0 | 0 | 0 | 112.4 | G104 P105 V136 A205 | G104-P129 WeakPolarHBondContact O-CB 3.07Å; G104-P129 WeakPolarHBondContact O-CG 3.46Å; P105-P129 WeakPolarHBondContact O-CA 3.5Å; P105-P129 WeakPolarHBondContact O-CB 3.46Å; P129-V136 HydrophobicContact CG-CG2 3.87Å; P129-A205 HydrophobicContact CG-CB 4.26Å |
| 130 | I | 82.7 | Confident | 86.4 | Confident | 102 Ų | 102 | 44.3 Ų | 44.3 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.5 | 162.9 | -72.7 | 152.2 | 0 | 0 | 0 | 107.4 | S132 | I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3Å; I130-S132 PolarHBondContact O-OG 3.09Å |
| 131 | P | 68.3 | Low | 86.6 | Confident | 137 Ų | 137 | 42.1 Ų | 42.1 | 89% | 0.89 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -53.7 | 95 | 178.8 | -21.4 | 28.2 | 0 | 0 | 0 | 111.7 | ||
| 132 | S | 60.4 | Low | 86.6 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -158.2 | 128.6 | 172.7 | 64.6 | 0 | 0 | 0 | 0 | 105.7 | G104 I130 | G104-S132 PolarHBondContact N-O 3.01Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3Å; I130-S132 PolarHBondContact O-OG 3.09Å |
| 133 | G | 61.3 | Low | 86.6 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 103.7 | -63.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A101 P102 | A101-G133 CarbonylContact C-O 3.33Å; A101-G133 PolarHBondContact N-O 2.8Å; A101-G133 CarbonylContact O-C 3.3Å; A101-G133 VanDerWaalsContact O-C 3.23Å; P102-G133 CarbonylContact O-C 3.52Å; P102-G133 WeakPolarHBondContact O-CA 3.49Å |
| 134 | G | 69.2 | Low | 86.6 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | trans | 163.4 | -175.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 135 | S | 79.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | trans | -75.6 | 146.6 | -178.6 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | E99 G207 | E99-S135 VanDerWaalsContact OE1-CB 3.23Å; E99-S135 WeakPolarHBondContact OE1-CB 3.35Å; E99-S135 PolarHBondContact OE1-N 2.79Å; E99-S135 PolarHBondContact OE1-OG 2.59Å; E99-S135 PolarHBondContact OE2-N 3.18Å; S135-G207 WeakPolarHBondContact O-CA 3.33Å | ||
| 136 | V | 86 | Confident | 86.3 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | trans | -89.3 | 119.6 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | P103 P129 Y139 P177 A205 | P103-V136 HydrophobicContact CB-CG2 4Å; P129-V136 HydrophobicContact CG-CG2 3.87Å; V136-Y139 HydrophobicContact CG1-CD1 4.27Å; V136-Y139 HydrophobicContact CG1-CD2 4.46Å; V136-Y139 HydrophobicContact CG1-CE1 3.83Å; V136-Y139 HydrophobicContact CG1-CE2 4.05Å; V136-P177 HydrophobicContact CB-CG 4.29Å; V136-P177 HydrophobicContact CG1-CG 3.96Å; V136-A205 HydrophobicContact CG1-CB 4.17Å; V136-A205 HydrophobicContact CG2-CB 4.07Å | ||
| 137 | H | 85.6 | Confident | 86.1 | Confident | 85 Ų | 85 | 43.6 Ų | 43.6 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | trans | -82.5 | -44.5 | 172.8 | -70.9 | -169.9 | 0 | 0 | 0 | 111.5 | F95 P177 V206 | F95-H137 AromaticContact CE1-CE1 3.83Å; F95-H137 AromaticContact CE1-NE2 3.91Å; H137-P177 WeakPolarHBondContact O-CD 3.41Å; H137-V206 PolarHBondContact N-O 2.73Å | ||
| 138 | Y | 90.8 | Very high | 85.9 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 167.6 | 178.2 | 64.2 | -89.4 | 0 | 0 | 0 | 111.2 | M140 H173 H174 V175 V206 | Y138-M140 HydrophobicContact CD2-CG 4.37Å; Y138-M140 HydrophobicContact CE2-CG 3.88Å; Y138-H173 WeakPolarHBondContact CD2-O 3.47Å; Y138-H173 WeakPolarHBondContact CE2-O 3.31Å; Y138-H174 AromaticContact CD1-CD2 3.56Å; Y138-H174 AromaticContact CD1-NE2 3.38Å; Y138-H174 WeakPolarHBondContact CD1-NE2 3.46Å; Y138-H174 HydrophobicContact CD2-CB 4.34Å; Y138-H174 AromaticContact CD2-CD2 3.93Å; Y138-H174 AromaticContact CE1-CD2 3.85Å; Y138-H174 AromaticContact CE1-NE2 3.92Å; Y138-H174 AromaticContact CG-CD2 3.6Å; Y138-H174 AromaticContact CG-CG 3.92Å; Y138-H174 AromaticContact CG-NE2 3.71Å; Y138-V175 CarbonylContact C-O 3.53Å; Y138-V175 WeakPolarHBondContact CA-O 3.25Å; Y138-V206 HydrophobicContact CD1-CB 4.26Å; Y138-V206 HydrophobicContact CD2-CB 4.06Å; Y138-V206 HydrophobicContact CD2-CG2 4.02Å; Y138-V206 HydrophobicContact CE1-CB 3.91Å; Y138-V206 HydrophobicContact CE1-CG1 3.81Å; Y138-V206 HydrophobicContact CE2-CB 3.72Å; Y138-V206 HydrophobicContact CE2-CG1 4.15Å; Y138-V206 HydrophobicContact CE2-CG2 3.52Å; Y138-V206 HydrophobicContact CG-CB 4.33Å; Y138-V206 PolarHBondContact N-O 2.8Å; Y138-V206 PolarHBondContact O-N 2.99Å |
| 139 | Y | 94.9 | Very high | 85.5 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.6 | 171.1 | -58 | -82 | 0 | 0 | 0 | 110.9 | P106 W126 V136 V175 P177 T186 V203 V204 A205 | P106-Y139 HydrophobicContact CB-CE1 4.36Å; P106-Y139 HydrophobicContact CG-CD1 4.01Å; P106-Y139 HydrophobicContact CG-CE1 3.98Å; W126-Y139 AromaticContact CD1-CE1 3.94Å; W126-Y139 HydrophobicContact CZ2-CD2 4.07Å; W126-Y139 HydrophobicContact CZ2-CG 4.09Å; W126-Y139 AromaticContact NE1-CD1 3.49Å; W126-Y139 AromaticContact NE1-CD2 3.4Å; W126-Y139 AromaticContact NE1-CE1 3.56Å; W126-Y139 AromaticContact NE1-CE2 3.47Å; W126-Y139 AromaticContact NE1-CG 3.41Å; W126-Y139 AromaticContact NE1-CZ 3.57Å; V136-Y139 HydrophobicContact CG1-CD1 4.27Å; V136-Y139 HydrophobicContact CG1-CD2 4.46Å; V136-Y139 HydrophobicContact CG1-CE1 3.83Å; V136-Y139 HydrophobicContact CG1-CE2 4.05Å; Y139-V175 PolarHBondContact N-O 3.15Å; Y139-V175 PolarHBondContact O-N 2.88Å; Y139-P177 HydrophobicContact CD2-CG 4.36Å; Y139-P177 HydrophobicContact CE2-CB 3.95Å; Y139-P177 HydrophobicContact CE2-CG 3.79Å; Y139-T186 HydrophobicContact CD2-CG2 4.41Å; Y139-V203 HydrophobicContact CD1-CG1 3.95Å; Y139-V203 HydrophobicContact CG-CG1 4.28Å; Y139-V204 CarbonylContact C-O 3.54Å; Y139-V204 VanDerWaalsContact CA-O 3.31Å; Y139-V204 WeakPolarHBondContact CA-O 3.28Å; Y139-A205 HydrophobicContact CD1-CB 3.99Å; Y139-A205 HydrophobicContact CE1-CB 3.84Å |
| 140 | M | 96.3 | Very high | 84.4 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.3 | 161 | -60.9 | 174.5 | -66 | 0 | 0 | 108.6 | Y138 L172 H173 V203 V204 V206 K211 | Y138-M140 HydrophobicContact CD2-CG 4.37Å; Y138-M140 HydrophobicContact CE2-CG 3.88Å; M140-L172 CarbonylContact C-O 3.53Å; M140-L172 WeakPolarHBondContact CA-O 3.34Å; M140-H173 WeakPolarHBondContact CG-O 3.47Å; M140-V203 WeakPolarHBondContact O-CA 3.34Å; M140-V204 HydrophobicContact CB-CB 4.48Å; M140-V204 HydrophobicContact CE-CB 3.77Å; M140-V204 HydrophobicContact CE-CG1 3.53Å; M140-V204 PolarHBondContact N-O 3.31Å; M140-V204 PolarHBondContact O-N 2.81Å; M140-V206 HydrophobicContact CE-CG2 3.44Å; M140-V206 VanDerWaalsContact CE-CG2 3.44Å; M140-V206 HydrophobicContact CG-CG2 4.03Å; M140-V206 HydrophobicContact SD-CG2 4.16Å; M140-K211 HydrophobicContact CE-CD 3.5Å; M140-K211 VanDerWaalsContact CE-CE 3.47Å; M140-K211 HydrophobicContact CE-CG 4Å |
| 141 | V | 97 | Very high | 83.3 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.8 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | W126 L172 V175 F190 T202 V203 | W126-V141 HydrophobicContact CH2-CG2 3.52Å; W126-V141 HydrophobicContact CZ2-CG2 3.94Å; W126-V141 HydrophobicContact CZ3-CG2 4.17Å; V141-L172 HydrophobicContact CB-CB 4.42Å; V141-L172 HydrophobicContact CB-CD2 4.25Å; V141-L172 HydrophobicContact CG1-CD2 4.45Å; V141-L172 PolarHBondContact N-O 2.87Å; V141-L172 WeakPolarHBondContact O-CB 3.21Å; V141-V175 HydrophobicContact CG2-CG2 3.96Å; V141-F190 HydrophobicContact CG1-CZ 4.22Å; V141-T202 WeakPolarHBondContact CA-O 3.44Å; V141-V203 HydrophobicContact CG1-CG2 4.44Å; V141-V203 HydrophobicContact CG2-CG1 4.36Å; V141-V203 HydrophobicContact CG2-CG2 4.34Å |
| 142 | D | 95.7 | Very high | 82.6 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.7 | 164.8 | -173.6 | 28.6 | 0 | 0 | 0 | 107.8 | Y144 R163 A201 T202 | D142-Y144 WeakPolarHBondContact OD2-CD1 3.2Å; D142-R163 IonicContact OD1-CZ 2.95Å; D142-R163 IonicContact OD1-NE 2.66Å; D142-R163 PolarHBondContact OD1-NE 3.22Å; D142-R163 VanDerWaalsContact OD1-NE 3.1Å; D142-R163 IonicContact OD1-NH2 3.22Å; D142-R163 IonicContact OD2-NH2 2.69Å; D142-A201 CarbonylContact O-C 3.51Å; D142-A201 VanDerWaalsContact O-CA 3.26Å; D142-A201 WeakPolarHBondContact O-CA 3.44Å; D142-T202 PolarHBondContact N-O 3.11Å; D142-T202 PolarHBondContact O-N 3.18Å |
| 143 | F | 96.7 | Very high | 82.4 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.6 | 179.9 | -178.8 | -104.3 | 0 | 0 | 0 | 108.9 | L111 C122 V124 P164 F190 Y199 S200 A201 | L111-F143 HydrophobicContact CD2-CE2 4.02Å; C122-F143 HydrophobicContact CB-CZ 3.88Å; V124-F143 HydrophobicContact CG2-CD2 3.58Å; V124-F143 HydrophobicContact CG2-CE2 3.73Å; V124-F143 HydrophobicContact CG2-CG 4.41Å; F143-P164 HydrophobicContact CD1-CG 3.62Å; F143-P164 HydrophobicContact CE1-CG 3.53Å; F143-F190 HydrophobicContact CB-CD1 4.24Å; F143-F190 HydrophobicContact CB-CE1 3.61Å; F143-F190 HydrophobicContact CB-CE2 3.98Å; F143-F190 HydrophobicContact CB-CZ 3.47Å; F143-F190 VanDerWaalsContact CB-CZ 3.47Å; F143-F190 HydrophobicContact CD1-CB 3.95Å; F143-F190 AromaticContact CD1-CD1 3.37Å; F143-F190 HydrophobicContact CD1-CD1 3.37Å; F143-F190 AromaticContact CD1-CD2 3.76Å; F143-F190 HydrophobicContact CD1-CD2 3.76Å; F143-F190 AromaticContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE2 4.07Å; F143-F190 AromaticContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CZ 4.03Å; F143-F190 HydrophobicContact CD2-CD2 4.27Å; F143-F190 HydrophobicContact CD2-CE2 4.19Å; F143-F190 HydrophobicContact CE1-CB 3.58Å; F143-F190 AromaticContact CE1-CD1 3.96Å; F143-F190 HydrophobicContact CE1-CD1 3.96Å; F143-F190 AromaticContact CE1-CD2 3.92Å; F143-F190 HydrophobicContact CE1-CD2 3.92Å; F143-F190 AromaticContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE2-CD2 4.42Å; F143-F190 HydrophobicContact CG-CD1 4Å; F143-F190 AromaticContact CG-CD2 3.94Å; F143-F190 HydrophobicContact CG-CD2 3.94Å; F143-F190 AromaticContact CG-CE1 3.86Å; F143-F190 HydrophobicContact CG-CE1 3.86Å; F143-F190 AromaticContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CG 4.03Å; F143-F190 AromaticContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CZ-CB 4.29Å; F143-F190 HydrophobicContact CZ-CD2 4.25Å; F143-F190 HydrophobicContact CZ-CG 4.28Å; F143-Y199 HydrophobicContact CD1-CD1 4.09Å; F143-Y199 AromaticContact CE1-CD1 3.35Å; F143-Y199 HydrophobicContact CE1-CD1 3.35Å; F143-Y199 AromaticContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CG 4.13Å; F143-Y199 HydrophobicContact CE2-CD1 4.17Å; F143-Y199 HydrophobicContact CE2-CG 4.39Å; F143-Y199 AromaticContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CE1 4.26Å; F143-Y199 AromaticContact CZ-CG 3.72Å; F143-Y199 HydrophobicContact CZ-CG 3.72Å; F143-S200 WeakPolarHBondContact CA-O 3.21Å; F143-S200 WeakPolarHBondContact CD2-O 3.4Å; F143-A201 HydrophobicContact CD2-CB 3.95Å |
| 144 | Y | 95.2 | Very high | 81.9 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 22% | 0.22 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.3 | -172.7 | 62.1 | -93.8 | 0 | 0 | 0 | 112.3 | D142 V146 L161 H162 Y199 S200 | D142-Y144 WeakPolarHBondContact OD2-CD1 3.2Å; Y144-V146 HydrophobicContact CD2-CG2 4.05Å; Y144-V146 HydrophobicContact CE2-CG2 4.07Å; Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CD2-CD2 3.68Å; Y144-L161 HydrophobicContact CD2-CG 4.49Å; Y144-L161 HydrophobicContact CE2-CD2 4.21Å; Y144-L161 HydrophobicContact CG-CD1 4.44Å; Y144-L161 HydrophobicContact CG-CD2 4.4Å; Y144-H162 CarbonylContact C-O 3.6Å; Y144-H162 VanDerWaalsContact CA-O 3.27Å; Y144-H162 WeakPolarHBondContact CA-O 3.36Å; Y144-Y199 VanDerWaalsContact O-CA 3.31Å; Y144-Y199 WeakPolarHBondContact O-CA 3.31Å; Y144-S200 PolarHBondContact N-O 3.18Å; Y144-S200 VanDerWaalsContact N-O 3.07Å; Y144-S200 PolarHBondContact O-N 3Å |
| 145 | G | 94.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H162 N198 | G145-H162 PolarHBondContact N-O 3.22Å; G145-H162 PolarHBondContact O-N 3.18Å; G145-N198 WeakPolarHBondContact CA-O 3.2Å |
| 146 | V | 91.8 | Very high | 79.7 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 38% | 0.376 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.7 | 175 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | Y144 R148 L161 R197 N198 | Y144-V146 HydrophobicContact CD2-CG2 4.05Å; Y144-V146 HydrophobicContact CE2-CG2 4.07Å; V146-R148 PolarHBondContact O-N 3.15Å; V146-L161 HydrophobicContact CG2-CD2 3.59Å; V146-R197 CarbonylContact O-C 3.58Å; V146-R197 WeakPolarHBondContact O-CA 3.49Å; V146-R197 WeakPolarHBondContact O-CD 3.36Å; V146-N198 PolarHBondContact N-O 3.43Å; V146-N198 PolarHBondContact O-N 2.83Å |
| 147 | V | 90.9 | Very high | 78.1 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 128.4 | 174 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | N196 R197 I256 | V147-N196 WeakPolarHBondContact CA-O 3.33Å; V147-R197 VanDerWaalsContact CG2-NH1 3.34Å; V147-I256 HydrophobicContact CG2-CD1 4.44Å; V147-I256 HydrophobicContact CG2-CG1 4.13Å |
| 148 | R | 88.6 | Confident | 76.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.6 | -54.4 | -178.6 | -74.8 | 168.5 | 60 | -141 | -8.3 | 112.8 | V146 N196 R197 N198 T223 D366 | V146-R148 PolarHBondContact O-N 3.15Å; R148-N196 PolarHBondContact N-O 2.99Å; R148-R197 VanDerWaalsContact CD-C 3.42Å; R148-R197 VanDerWaalsContact CD-O 3.3Å; R148-R197 WeakPolarHBondContact CD-O 3.39Å; R148-N198 HydrophobicContact CG-CB 3.66Å; R148-T223 PolarHBondContact NH1-O 3.32Å; R148-D366 IonicContact CZ-OD2 3.97Å; R148-D366 VanDerWaalsContact CZ-OD2 3.22Å; R148-D366 IonicContact NH1-OD2 3.75Å; R148-D366 PolarHBondContact NH1-OD2 2.9Å; R148-D366 IonicContact NH2-OD2 3.1Å; R148-D366 PolarHBondContact NH2-OD2 3.33Å |
| 149 | R | 80 | Confident | 75 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 49% | 0.494 | 38% | 0.378 | S | S | . | . | trans | -115.9 | 119.1 | 178.3 | -67.3 | -166.9 | -176.1 | -167.9 | -1 | 108.5 | N196 | R149-N196 PolarHBondContact N-OD1 3.02Å; R149-N196 VanDerWaalsContact N-OD1 3.15Å; R149-N196 PolarHBondContact O-ND2 2.95Å | ||
| 150 | Q | 67.3 | Low | 74 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | trans | -100.4 | 117.3 | 169.6 | -169.1 | 164.5 | 17.9 | 0 | 0 | 106.8 | ||||
| 151 | V | 59.1 | Low | 73.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | trans | -88.2 | 152 | 174 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | H153 D255 P259 | V151-H153 PolarHBondContact O-N 2.87Å; V151-H153 VanDerWaalsContact O-N 3.15Å; V151-D255 HydrophobicContact CB-CB 4.42Å; V151-D255 WeakPolarHBondContact CB-OD2 3.37Å; V151-D255 WeakPolarHBondContact CG1-OD2 3.06Å; V151-P259 HydrophobicContact CG2-CB 4.34Å | ||
| 152 | V | 54.2 | Low | 73.6 | Confident | 130 Ų | 130 | 82.9 Ų | 82.9 | 79% | 0.788 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -67.2 | -16.3 | -158.3 | 178.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 153 | H | 55.3 | Low | 73.5 | Confident | 142 Ų | 142 | 86.4 Ų | 86.4 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -106.2 | 58.6 | -174.8 | -66.5 | -51.9 | 0 | 0 | 0 | 112.3 | V151 | V151-H153 PolarHBondContact O-N 2.87Å; V151-H153 VanDerWaalsContact O-N 3.15Å |
| 154 | G | 51.6 | Low | 73.4 | Confident | 32 Ų | 32 | 86.7 Ų | 86.7 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -157.7 | 145.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R156 | G154-R156 PolarHBondContact O-N 3.04Š|
| 155 | V | 52.2 | Low | 73.3 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 75% | 0.745 | 47% | 0.467 | S | S | * | . | trans | -42.6 | 127.5 | 168.5 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | T157 | V155-T157 HydrophobicContact CG1-CG2 4.38Å; V155-T157 PolarHBondContact O-N 2.8Å | ||
| 156 | R | 49.4 | Very low | 73.4 | Confident | 220 Ų | 220 | 93.9 Ų | 93.9 | 83% | 0.83 | 47% | 0.474 | S | S | * | . | trans | -60.6 | 86.8 | 165.3 | -76.6 | -176.4 | 177.8 | -175.2 | 0 | 106.5 | G154 G158 | G154-R156 PolarHBondContact O-N 3.04Å; R156-G158 PolarHBondContact O-N 2.87Å | ||
| 157 | T | 52.2 | Low | 73.5 | Confident | 47 Ų | 47 | 94.1 Ų | 94.1 | 29% | 0.288 | 48% | 0.479 | S | S | . | . | trans | -69.3 | 79.4 | 168.6 | 52.5 | 0 | 0 | 0 | 0 | 104.7 | V155 N159 I256 | V155-T157 HydrophobicContact CG1-CG2 4.38Å; V155-T157 PolarHBondContact O-N 2.8Å; T157-N159 PolarHBondContact O-N 2.83Å; T157-N159 VanDerWaalsContact O-N 3.09Å; T157-I256 HydrophobicContact CG2-CD1 4.16Å; T157-I256 WeakPolarHBondContact OG1-CD1 3.43Å | ||
| 158 | G | 51.6 | Low | 73.6 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 120.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R156 Q160 | R156-G158 PolarHBondContact O-N 2.87Å; G158-Q160 PolarHBondContact O-N 3.03Å |
| 159 | N | 60.2 | Low | 73.9 | Confident | 149 Ų | 149 | 92.6 Ų | 92.6 | 80% | 0.797 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 27.1 | 160.3 | -58.8 | -13.9 | 0 | 0 | 0 | 116.7 | T157 L161 | T157-N159 PolarHBondContact O-N 2.83Å; T157-N159 VanDerWaalsContact O-N 3.09Å; N159-L161 VanDerWaalsContact C-N 3.3Å; N159-L161 PolarHBondContact O-N 2.99Å |
| 160 | Q | 75.3 | Confident | 74.2 | Confident | 152 Ų | 152 | 98.7 Ų | 98.7 | 71% | 0.71 | 50% | 0.498 | S | S | * | . | trans | -71.5 | 93.5 | 177.4 | -78.1 | -168.2 | -3 | 0 | 0 | 108.6 | G158 H162 | G158-Q160 PolarHBondContact O-N 3.03Å; Q160-H162 PolarHBondContact O-N 2.71Å | ||
| 161 | L | 89.7 | Confident | 75.4 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | trans | -65.5 | 118.7 | 175.4 | -64.2 | -179.6 | 0 | 0 | 0 | 108.9 | Y144 V146 N159 | Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CD2-CD2 3.68Å; Y144-L161 HydrophobicContact CD2-CG 4.49Å; Y144-L161 HydrophobicContact CE2-CD2 4.21Å; Y144-L161 HydrophobicContact CG-CD1 4.44Å; Y144-L161 HydrophobicContact CG-CD2 4.4Å; V146-L161 HydrophobicContact CG2-CD2 3.59Å; N159-L161 VanDerWaalsContact C-N 3.3Å; N159-L161 PolarHBondContact O-N 2.99Å | ||
| 162 | H | 93.4 | Very high | 77 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 121.2 | 172.4 | 173.9 | -125.1 | 0 | 0 | 0 | 110 | Y144 G145 Q160 P164 G192 L194 Y199 | Y144-H162 CarbonylContact C-O 3.6Å; Y144-H162 VanDerWaalsContact CA-O 3.27Å; Y144-H162 WeakPolarHBondContact CA-O 3.36Å; G145-H162 PolarHBondContact N-O 3.22Å; G145-H162 PolarHBondContact O-N 3.18Å; Q160-H162 PolarHBondContact O-N 2.71Å; H162-P164 WeakPolarHBondContact O-CD 3.34Å; H162-G192 PolarHBondContact CE1-O 3.22Å; H162-G192 VanDerWaalsContact CE1-O 3.32Å; H162-L194 HydrophobicContact CB-CD1 3.98Å; H162-Y199 PolarHBondContact CE1-OH 2.68Å; H162-Y199 VanDerWaalsContact CE1-OH 3.3Å; H162-Y199 AromaticContact ND1-CE1 4Å; H162-Y199 AromaticContact ND1-CZ 3.73Å; H162-Y199 PolarHBondContact ND1-OH 3.16Å |
| 163 | R | 94.8 | Very high | 78.9 | Confident | 134 Ų | 134 | 96.8 Ų | 96.8 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | trans | -114.2 | 92.8 | 179 | -68.5 | -171.1 | 173.6 | 82.6 | -0.7 | 110.7 | D142 | D142-R163 IonicContact OD1-CZ 2.95Å; D142-R163 IonicContact OD1-NE 2.66Å; D142-R163 PolarHBondContact OD1-NE 3.22Å; D142-R163 VanDerWaalsContact OD1-NE 3.1Å; D142-R163 IonicContact OD1-NH2 3.22Å; D142-R163 IonicContact OD2-NH2 2.69Å | ||
| 164 | P | 94.4 | Very high | 80.6 | Confident | 9 Ų | 9 | 94.4 Ų | 94.4 | 6% | 0.058 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 155.5 | 178 | 27.7 | -32.1 | 0 | 0 | 0 | 111.1 | F143 H162 F190 E191 L193 Y199 | F143-P164 HydrophobicContact CD1-CG 3.62Å; F143-P164 HydrophobicContact CE1-CG 3.53Å; H162-P164 WeakPolarHBondContact O-CD 3.34Å; P164-F190 HydrophobicContact CG-CB 4.18Å; P164-F190 HydrophobicContact CG-CD1 4.21Å; P164-E191 WeakPolarHBondContact CB-O 3.24Å; P164-L193 HydrophobicContact CG-CD1 4.48Å; P164-Y199 HydrophobicContact CG-CE1 3.87Å |
| 165 | K | 93.9 | Very high | 82.5 | Confident | 185 Ų | 185 | 93.4 Ų | 93.4 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -78 | 149 | 174.3 | -66.2 | -178.1 | -179 | 176.8 | 0 | 110.1 | ||
| 166 | S | 95.9 | Very high | 84.3 | Confident | 21 Ų | 21 | 92.1 Ų | 92.1 | 15% | 0.147 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 140.1 | 171.7 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | N168 C169 E189 | S166-N168 PolarHBondContact OG-N 3.04Å; S166-N168 PolarHBondContact OG-OD1 3.28Å; S166-C169 WeakPolarHBondContact CB-O 3.44Å; S166-C169 WeakPolarHBondContact OG-CB 3.26Å; S166-C169 PolarHBondContact OG-N 3.22Å; S166-E189 CarbonylContact C-O 3.58Å; S166-E189 WeakPolarHBondContact CA-O 3.25Å; S166-E189 VanDerWaalsContact CB-O 3.28Å; S166-E189 WeakPolarHBondContact CB-O 3.32Å; S166-E189 PolarHBondContact OG-O 3.44Å |
| 167 | S | 94.3 | Very high | 86.1 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -77 | -29.7 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | E189 | S167-E189 PolarHBondContact N-O 3.38Å; S167-E189 WeakPolarHBondContact OG-CB 3.38Å; S167-E189 PolarHBondContact OG-O 3.37Å |
| 168 | N | 93 | Very high | 87.4 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 32% | 0.316 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -116.7 | -17.6 | -175.5 | 71.6 | -29.8 | 0 | 0 | 0 | 114 | S166 F187 C188 E189 | S166-N168 PolarHBondContact OG-N 3.04Å; S166-N168 PolarHBondContact OG-OD1 3.28Å; N168-F187 WeakPolarHBondContact ND2-CD2 3.4Å; N168-F187 VanDerWaalsContact ND2-CE2 3.3Å; N168-F187 WeakPolarHBondContact ND2-CE2 3.06Å; N168-F187 PolarHBondContact ND2-O 2.96Å; N168-C188 VanDerWaalsContact OD1-CA 3.29Å; N168-C188 WeakPolarHBondContact OD1-CA 3.44Å; N168-E189 PolarHBondContact OD1-N 2.92Å |
| 169 | C | 93.2 | Very high | 87.8 | Confident | 14 Ų | 14 | 88.8 Ų | 88.8 | 10% | 0.095 | 44% | 0.436 | C | S | . | . | trans | -104.1 | 104.1 | 174 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | S166 L172 V175 C188 | S166-C169 WeakPolarHBondContact CB-O 3.44Å; S166-C169 WeakPolarHBondContact OG-CB 3.26Å; S166-C169 PolarHBondContact OG-N 3.22Å; C169-L172 HydrophobicContact CB-CD2 3.96Å; C169-V175 HydrophobicContact CB-CG2 4.26Å; C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.5Å; C169-C188 WeakPolarHBondContact SG-CA 3.33Å; C169-C188 WeakPolarHBondContact SG-CB 3.34Å; C169-C188 CovalentContact SG-SG 2.03Å; C169-C188 PolarHBondContact SG-SG 3.3Å | ||
| 170 | R | 87.8 | Confident | 87.4 | Confident | 260 Ų | 260 | 90.4 Ų | 90.4 | 98% | 0.981 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -66.8 | -40.1 | -176.1 | -66.4 | -176.9 | -179.6 | 178.9 | 0.4 | 113.7 | ||
| 171 | N | 91.1 | Very high | 86.5 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | trans | -127 | 106.2 | 178.5 | -175.4 | -1 | 0 | 0 | 0 | 109.6 | H173 H174 V175 | N171-H173 PolarHBondContact O-N 3.14Å; N171-H173 WeakPolarHBondContact OD1-CB 3.22Å; N171-H173 PolarHBondContact OD1-N 3.09Å; N171-H174 HydrophobicContact CB-CB 4.38Å; N171-H174 CarbonylContact O-C 3.57Å; N171-H174 PolarHBondContact O-N 3.04Å; N171-V175 WeakPolarHBondContact O-CG2 3.35Å | ||
| 172 | L | 94.3 | Very high | 85 | Confident | 39 Ų | 39 | 91.6 Ų | 91.6 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.8 | 179.3 | -63.1 | 174.1 | 0 | 0 | 0 | 112.8 | M140 V141 C169 H174 F190 | M140-L172 CarbonylContact C-O 3.53Å; M140-L172 WeakPolarHBondContact CA-O 3.34Å; V141-L172 HydrophobicContact CB-CB 4.42Å; V141-L172 HydrophobicContact CB-CD2 4.25Å; V141-L172 HydrophobicContact CG1-CD2 4.45Å; V141-L172 PolarHBondContact N-O 2.87Å; V141-L172 WeakPolarHBondContact O-CB 3.21Å; C169-L172 HydrophobicContact CB-CD2 3.96Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-F190 HydrophobicContact CD1-CE1 3.79Å; L172-F190 HydrophobicContact CD1-CZ 4.34Å; L172-F190 HydrophobicContact CD2-CE1 3.9Å; L172-F190 HydrophobicContact CD2-CZ 3.77Å |
| 173 | H | 92.8 | Very high | 83.8 | Confident | 135 Ų | 135 | 95.7 Ų | 95.7 | 63% | 0.625 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.3 | 172.2 | -62.7 | -69.5 | 0 | 0 | 0 | 113.2 | Y138 M140 N171 | Y138-H173 WeakPolarHBondContact CD2-O 3.47Å; Y138-H173 WeakPolarHBondContact CE2-O 3.31Å; M140-H173 WeakPolarHBondContact CG-O 3.47Å; N171-H173 PolarHBondContact O-N 3.14Å; N171-H173 WeakPolarHBondContact OD1-CB 3.22Å; N171-H173 PolarHBondContact OD1-N 3.09Å |
| 174 | H | 91.7 | Very high | 83.1 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -151.7 | 70.6 | -178 | -162.5 | -67.4 | 0 | 0 | 0 | 111.4 | Y138 N171 L172 | Y138-H174 AromaticContact CD1-CD2 3.56Å; Y138-H174 AromaticContact CD1-NE2 3.38Å; Y138-H174 WeakPolarHBondContact CD1-NE2 3.46Å; Y138-H174 HydrophobicContact CD2-CB 4.34Å; Y138-H174 AromaticContact CD2-CD2 3.93Å; Y138-H174 AromaticContact CE1-CD2 3.85Å; Y138-H174 AromaticContact CE1-NE2 3.92Å; Y138-H174 AromaticContact CG-CD2 3.6Å; Y138-H174 AromaticContact CG-CG 3.92Å; Y138-H174 AromaticContact CG-NE2 3.71Å; N171-H174 HydrophobicContact CB-CB 4.38Å; N171-H174 CarbonylContact O-C 3.57Å; N171-H174 PolarHBondContact O-N 3.04Å; L172-H174 VanDerWaalsContact C-N 3.26Å |
| 175 | V | 92.4 | Very high | 82.9 | Confident | 12 Ų | 12 | 95.3 Ų | 95.3 | 7% | 0.073 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 114.4 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | W126 Y138 Y139 V141 C169 N171 T186 | W126-V175 HydrophobicContact CH2-CG1 4.29Å; W126-V175 HydrophobicContact CZ2-CG1 4.08Å; Y138-V175 CarbonylContact C-O 3.53Å; Y138-V175 WeakPolarHBondContact CA-O 3.25Å; Y139-V175 PolarHBondContact N-O 3.15Å; Y139-V175 PolarHBondContact O-N 2.88Å; V141-V175 HydrophobicContact CG2-CG2 3.96Å; C169-V175 HydrophobicContact CB-CG2 4.26Å; N171-V175 WeakPolarHBondContact O-CG2 3.35Å; V175-T186 HydrophobicContact CG1-CG2 3.83Å |
| 176 | T | 88.8 | Confident | 82.8 | Confident | 95 Ų | 95 | 86.7 Ų | 86.7 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | trans | -69.2 | 137.9 | 178.9 | -45.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 177 | P | 86.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 87.7 Ų | 87.7 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | trans | -58.6 | 141.4 | 171.2 | -19.8 | 32.1 | 0 | 0 | 0 | 111.1 | V136 H137 Y139 S179 | V136-P177 HydrophobicContact CB-CG 4.29Å; V136-P177 HydrophobicContact CG1-CG 3.96Å; H137-P177 WeakPolarHBondContact O-CD 3.41Å; Y139-P177 HydrophobicContact CD2-CG 4.36Å; Y139-P177 HydrophobicContact CE2-CB 3.95Å; Y139-P177 HydrophobicContact CE2-CG 3.79Å; P177-S179 PolarHBondContact O-N 2.75Å | ||
| 178 | R | 79.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 84.4 Ų | 84.4 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | trans | -81.2 | 109.2 | 171.2 | -69.2 | -172.3 | 177.8 | -153.6 | 1.9 | 109.3 | A181 T186 | R178-A181 HydrophobicContact CB-CB 4.32Å; R178-T186 PolarHBondContact N-OG1 3.09Å | ||
| 179 | S | 61.2 | Low | 83 | Confident | 102 Ų | 102 | 83.6 Ų | 83.6 | 71% | 0.713 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -79.5 | -18.3 | 179.5 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | P177 | P177-S179 PolarHBondContact O-N 2.75Š|
| 180 | E | 52 | Low | 83.2 | Confident | 183 Ų | 183 | 82.9 Ų | 82.9 | 86% | 0.855 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -114.2 | -0 | -169.2 | -64.2 | -178.4 | 174.9 | 0 | 0 | 114.7 | K182 | E180-K182 PolarHBondContact O-N 3.02Š|
| 181 | A | 55.8 | Low | 83.5 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | trans | -72.9 | 133.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.6 | R178 D183 N184 | R178-A181 HydrophobicContact CB-CB 4.32Å; A181-D183 PolarHBondContact O-N 3.1Å; A181-N184 PolarHBondContact O-N 3.14Å; A181-N184 PolarHBondContact O-OD1 3.03Å | ||
| 182 | K | 57.9 | Low | 83.7 | Confident | 209 Ų | 209 | 73 Ų | 73 | 91% | 0.909 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -27.5 | 177.5 | -164.9 | 176.7 | -179.7 | -178.1 | 0 | 113.8 | E180 | E180-K182 PolarHBondContact O-N 3.02Š|
| 183 | D | 68.1 | Low | 83.8 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 0.7 | -179.1 | -53.2 | -36.3 | 0 | 0 | 0 | 113.9 | A181 V185 | A181-D183 PolarHBondContact O-N 3.1Å; D183-V185 HydrophobicContact CB-CB 4.49Å; D183-V185 HydrophobicContact CB-CG2 3.85Å; D183-V185 WeakPolarHBondContact O-CG2 3.39Å; D183-V185 PolarHBondContact O-N 3.21Å |
| 184 | N | 80.5 | Confident | 83.9 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | trans | 50.1 | 24.4 | -171.7 | -74.1 | -17 | 0 | 0 | 0 | 114.5 | P128 A181 | P128-N184 WeakPolarHBondContact CD-O 3.47Å; P128-N184 HydrophobicContact CG-CB 4.4Å; A181-N184 PolarHBondContact O-N 3.14Å; A181-N184 PolarHBondContact O-OD1 3.03Å | ||
| 185 | V | 89.4 | Confident | 84 | Confident | 51 Ų | 51 | 66 Ų | 66 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | trans | -86.1 | 129.4 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | A125 D183 | A125-V185 HydrophobicContact CB-CG1 3.97Å; D183-V185 HydrophobicContact CB-CB 4.49Å; D183-V185 HydrophobicContact CB-CG2 3.85Å; D183-V185 WeakPolarHBondContact O-CG2 3.39Å; D183-V185 PolarHBondContact O-N 3.21Å | ||
| 186 | T | 92.6 | Very high | 84 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 140.8 | 169.3 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | A125 W126 Y139 V175 R178 | A125-T186 WeakPolarHBondContact CA-O 3.36Å; W126-T186 HydrophobicContact CH2-CG2 4Å; W126-T186 HydrophobicContact CZ2-CG2 3.38Å; W126-T186 PolarHBondContact N-O 2.66Å; W126-T186 PolarHBondContact O-N 2.7Å; Y139-T186 HydrophobicContact CD2-CG2 4.41Å; V175-T186 HydrophobicContact CG1-CG2 3.83Å; R178-T186 PolarHBondContact N-OG1 3.09Å |
| 187 | F | 94.6 | Very high | 84.3 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 148.9 | 179.1 | 70.2 | -92.5 | 0 | 0 | 0 | 113.1 | R123 V124 A125 N168 E189 | R123-F187 HydrophobicContact CG-CB 4.2Å; R123-F187 HydrophobicContact CG-CD2 4.17Å; R123-F187 HydrophobicContact CG-CG 4.5Å; V124-F187 CarbonylContact O-C 3.49Å; V124-F187 WeakPolarHBondContact O-CA 3.4Å; V124-F187 VanDerWaalsContact O-CB 3.28Å; V124-F187 WeakPolarHBondContact O-CB 3.38Å; A125-F187 HydrophobicContact CB-CB 3.87Å; N168-F187 WeakPolarHBondContact ND2-CD2 3.4Å; N168-F187 VanDerWaalsContact ND2-CE2 3.3Å; N168-F187 WeakPolarHBondContact ND2-CE2 3.06Å; N168-F187 PolarHBondContact ND2-O 2.96Å; F187-E189 HydrophobicContact CD2-CG 4.03Å; F187-E189 HydrophobicContact CE2-CG 4.1Å |
| 188 | C | 96 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.9 | 169.4 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | R123 V124 N168 C169 F190 | R123-C188 WeakPolarHBondContact CA-O 3.4Å; V124-C188 PolarHBondContact N-O 3.19Å; V124-C188 PolarHBondContact O-N 3.1Å; N168-C188 VanDerWaalsContact OD1-CA 3.29Å; N168-C188 WeakPolarHBondContact OD1-CA 3.44Å; C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.5Å; C169-C188 WeakPolarHBondContact SG-CA 3.33Å; C169-C188 WeakPolarHBondContact SG-CB 3.34Å; C169-C188 CovalentContact SG-SG 2.03Å; C169-C188 PolarHBondContact SG-SG 3.3Å; C188-F190 HydrophobicContact CB-CD2 4.5Å; C188-F190 HydrophobicContact CB-CE2 3.66Å; C188-F190 HydrophobicContact CB-CZ 3.97Å |
| 189 | E | 96.4 | Very high | 85.4 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.7 | 174.6 | -64.6 | -174.4 | 163.2 | 0 | 0 | 108.9 | I114 C122 R123 S166 S167 N168 F187 | I114-E189 HydrophobicContact CD1-CB 4.33Å; I114-E189 HydrophobicContact CD1-CG 3.89Å; C122-E189 WeakPolarHBondContact O-CA 3.41Å; R123-E189 HydrophobicContact CB-CG 4.37Å; R123-E189 HydrophobicContact CG-CG 4.21Å; R123-E189 IonicContact CZ-OE1 3.72Å; R123-E189 IonicContact NE-OE1 2.64Å; R123-E189 PolarHBondContact NE-OE1 3.38Å; R123-E189 IonicContact NH2-OE1 3.04Å; R123-E189 PolarHBondContact NH2-OE1 3.3Å; S166-E189 CarbonylContact C-O 3.58Å; S166-E189 WeakPolarHBondContact CA-O 3.25Å; S166-E189 VanDerWaalsContact CB-O 3.28Å; S166-E189 WeakPolarHBondContact CB-O 3.32Å; S166-E189 PolarHBondContact OG-O 3.44Å; S167-E189 PolarHBondContact N-O 3.38Å; S167-E189 WeakPolarHBondContact OG-CB 3.38Å; S167-E189 PolarHBondContact OG-O 3.37Å; N168-E189 PolarHBondContact OD1-N 2.92Å; F187-E189 HydrophobicContact CD2-CG 4.03Å; F187-E189 HydrophobicContact CE2-CG 4.1Å |
| 190 | F | 97 | Very high | 87 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.5 | -177.7 | -63 | -92.3 | 0 | 0 | 0 | 108.5 | K121 C122 V124 V141 F143 P164 L172 C188 L193 | K121-F190 CarbonylContact C-O 3.57Å; K121-F190 VanDerWaalsContact CA-O 3.24Å; K121-F190 WeakPolarHBondContact CA-O 3.48Å; C122-F190 PolarHBondContact N-O 2.91Å; C122-F190 PolarHBondContact O-N 2.94Å; V124-F190 HydrophobicContact CB-CE2 4.08Å; V124-F190 HydrophobicContact CG2-CD2 3.89Å; V124-F190 HydrophobicContact CG2-CE2 3.52Å; V141-F190 HydrophobicContact CG1-CZ 4.22Å; F143-F190 HydrophobicContact CB-CD1 4.24Å; F143-F190 HydrophobicContact CB-CE1 3.61Å; F143-F190 HydrophobicContact CB-CE2 3.98Å; F143-F190 HydrophobicContact CB-CZ 3.47Å; F143-F190 VanDerWaalsContact CB-CZ 3.47Å; F143-F190 HydrophobicContact CD1-CB 3.95Å; F143-F190 AromaticContact CD1-CD1 3.37Å; F143-F190 HydrophobicContact CD1-CD1 3.37Å; F143-F190 AromaticContact CD1-CD2 3.76Å; F143-F190 HydrophobicContact CD1-CD2 3.76Å; F143-F190 AromaticContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE2 4.07Å; F143-F190 AromaticContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CZ 4.03Å; F143-F190 HydrophobicContact CD2-CD2 4.27Å; F143-F190 HydrophobicContact CD2-CE2 4.19Å; F143-F190 HydrophobicContact CE1-CB 3.58Å; F143-F190 AromaticContact CE1-CD1 3.96Å; F143-F190 HydrophobicContact CE1-CD1 3.96Å; F143-F190 AromaticContact CE1-CD2 3.92Å; F143-F190 HydrophobicContact CE1-CD2 3.92Å; F143-F190 AromaticContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE2-CD2 4.42Å; F143-F190 HydrophobicContact CG-CD1 4Å; F143-F190 AromaticContact CG-CD2 3.94Å; F143-F190 HydrophobicContact CG-CD2 3.94Å; F143-F190 AromaticContact CG-CE1 3.86Å; F143-F190 HydrophobicContact CG-CE1 3.86Å; F143-F190 AromaticContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CG 4.03Å; F143-F190 AromaticContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CZ-CB 4.29Å; F143-F190 HydrophobicContact CZ-CD2 4.25Å; F143-F190 HydrophobicContact CZ-CG 4.28Å; P164-F190 HydrophobicContact CG-CB 4.18Å; P164-F190 HydrophobicContact CG-CD1 4.21Å; L172-F190 HydrophobicContact CD1-CE1 3.79Å; L172-F190 HydrophobicContact CD1-CZ 4.34Å; L172-F190 HydrophobicContact CD2-CE1 3.9Å; L172-F190 HydrophobicContact CD2-CZ 3.77Å; C188-F190 HydrophobicContact CB-CD2 4.5Å; C188-F190 HydrophobicContact CB-CE2 3.66Å; C188-F190 HydrophobicContact CB-CZ 3.97Å; F190-L193 HydrophobicContact CB-CD1 4.11Å; F190-L193 VanDerWaalsContact O-CD1 3.26Å; F190-L193 WeakPolarHBondContact O-CD1 3.29Å |
| 191 | E | 95.1 | Very high | 89.2 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 165.3 | 178.5 | -54.5 | -166.7 | 155.3 | 0 | 0 | 110.5 | T120 K121 P164 | T120-E191 CarbonylContact O-C 3.56Å; K121-E191 HydrophobicContact CD-CG 3.97Å; K121-E191 VanDerWaalsContact CE-OE1 3.27Å; K121-E191 WeakPolarHBondContact CE-OE1 3.3Å; K121-E191 HydrophobicContact CG-CB 4.35Å; K121-E191 HydrophobicContact CG-CG 4.04Å; K121-E191 IonicContact NZ-OE1 2.86Å; K121-E191 PolarHBondContact NZ-OE1 2.87Å; K121-E191 IonicContact NZ-OE2 3.91Å; P164-E191 WeakPolarHBondContact CB-O 3.24Å |
| 192 | G | 94.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | trans | 70.5 | 36.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T120 H162 | T120-G192 PolarHBondContact O-N 2.9Å; T120-G192 VanDerWaalsContact O-N 3.08Å; H162-G192 PolarHBondContact CE1-O 3.22Å; H162-G192 VanDerWaalsContact CE1-O 3.32Å | ||
| 193 | L | 96 | Very high | 93 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 137.4 | 173.7 | -76.1 | 63.9 | 0 | 0 | 0 | 109.7 | I113 T120 C122 P164 F190 Y199 T223 | I113-L193 HydrophobicContact CD1-CD2 4.34Å; T120-L193 WeakPolarHBondContact O-CD1 3.28Å; T120-L193 PolarHBondContact O-N 2.75Å; C122-L193 HydrophobicContact CB-CD1 4.35Å; C122-L193 HydrophobicContact CB-CD2 3.66Å; P164-L193 HydrophobicContact CG-CD1 4.48Å; F190-L193 HydrophobicContact CB-CD1 4.11Å; F190-L193 VanDerWaalsContact O-CD1 3.26Å; F190-L193 WeakPolarHBondContact O-CD1 3.29Å; L193-Y199 WeakPolarHBondContact CA-OH 3.18Å; L193-Y199 HydrophobicContact CB-CE2 3.71Å; L193-Y199 WeakPolarHBondContact CB-OH 3.21Å; L193-Y199 HydrophobicContact CD2-CD2 3.76Å; L193-Y199 HydrophobicContact CD2-CE2 3.72Å; L193-Y199 HydrophobicContact CD2-CG 4.19Å; L193-Y199 HydrophobicContact CG-CD2 4.18Å; L193-Y199 HydrophobicContact CG-CE1 4.06Å; L193-Y199 HydrophobicContact CG-CE2 3.67Å; L193-T223 HydrophobicContact CB-CG2 3.89Å; L193-T223 HydrophobicContact CD2-CG2 4.1Å |
| 194 | L | 94.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 28.4 Ų | 28.4 | 39% | 0.393 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -83.2 | 150.2 | 178.3 | -65 | 179.2 | 0 | 0 | 0 | 110.9 | H162 R197 Y199 T223 | H162-L194 HydrophobicContact CB-CD1 3.98Å; L194-R197 HydrophobicContact CB-CG 4.12Å; L194-R197 WeakPolarHBondContact O-CG 3.47Å; L194-Y199 PolarHBondContact N-OH 3.24Å; L194-T223 WeakPolarHBondContact O-CB 3.46Å; L194-T223 WeakPolarHBondContact O-CG2 3.45Å; L194-T223 PolarHBondContact O-OG1 3.06Å |
| 195 | S | 94.2 | Very high | 95 | Very high | 35 Ų | 35 | 24.4 Ų | 24.4 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -64.5 | 157.2 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | R197 T223 S224 G226 N257 | S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 WeakPolarHBondContact O-CG 3.46Å; S195-R197 PolarHBondContact O-N 2.84Å; S195-R197 PolarHBondContact O-NH1 2.84Å; S195-T223 WeakPolarHBondContact CA-OG1 3.44Å; S195-S224 CarbonylContact C-O 3.6Å; S195-S224 VanDerWaalsContact CA-O 3.28Å; S195-S224 WeakPolarHBondContact CA-O 3.4Å; S195-S224 VanDerWaalsContact CB-O 3.29Å; S195-S224 WeakPolarHBondContact CB-O 3.33Å; S195-G226 WeakPolarHBondContact OG-CA 3.07Å; S195-N257 WeakPolarHBondContact CB-O 3.4Å |
| 196 | N | 93.5 | Very high | 95 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 53.6 | 44.9 | -179.9 | -173.5 | 28.2 | 0 | 0 | 0 | 113.2 | V147 R148 R149 T223 S224 F225 I256 N257 | V147-N196 WeakPolarHBondContact CA-O 3.33Å; R148-N196 PolarHBondContact N-O 2.99Å; R149-N196 PolarHBondContact N-OD1 3.02Å; R149-N196 VanDerWaalsContact N-OD1 3.15Å; R149-N196 PolarHBondContact O-ND2 2.95Å; N196-T223 PolarHBondContact N-OG1 2.73Å; N196-T223 VanDerWaalsContact N-OG1 3.16Å; N196-S224 PolarHBondContact N-O 3.11Å; N196-F225 HydrophobicContact CB-CD1 3.95Å; N196-F225 HydrophobicContact CB-CE1 4.4Å; N196-I256 PolarHBondContact ND2-O 2.85Å; N196-N257 VanDerWaalsContact CB-C 3.43Å; N196-N257 VanDerWaalsContact CB-O 3.22Å; N196-N257 WeakPolarHBondContact CB-O 3.35Å |
| 197 | R | 93.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.9 | -179.5 | -64 | -61.1 | 175.4 | -88.5 | -0.3 | 112.9 | V146 V147 R148 L194 S195 Y199 T223 I256 | V146-R197 CarbonylContact O-C 3.58Å; V146-R197 WeakPolarHBondContact O-CA 3.49Å; V146-R197 WeakPolarHBondContact O-CD 3.36Å; V147-R197 VanDerWaalsContact CG2-NH1 3.34Å; R148-R197 VanDerWaalsContact CD-C 3.42Å; R148-R197 VanDerWaalsContact CD-O 3.3Å; R148-R197 WeakPolarHBondContact CD-O 3.39Å; L194-R197 HydrophobicContact CB-CG 4.12Å; L194-R197 WeakPolarHBondContact O-CG 3.47Å; S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 WeakPolarHBondContact O-CG 3.46Å; S195-R197 PolarHBondContact O-N 2.84Å; S195-R197 PolarHBondContact O-NH1 2.84Å; R197-Y199 HydrophobicContact CB-CD2 3.97Å; R197-Y199 HydrophobicContact CB-CE2 3.48Å; R197-Y199 VanDerWaalsContact CB-CE2 3.48Å; R197-Y199 HydrophobicContact CG-CE2 4.25Å; R197-T223 PolarHBondContact N-OG1 2.97Å; R197-T223 PolarHBondContact O-N 3.38Å; R197-T223 PolarHBondContact O-OG1 3.36Å; R197-I256 PolarHBondContact NH1-O 3.39Å |
| 198 | N | 93.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 22.6 Ų | 22.6 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.1 | 165.2 | -176.6 | -7.4 | 0 | 0 | 0 | 107.7 | G145 V146 R148 S219 L222 | G145-N198 WeakPolarHBondContact CA-O 3.2Å; V146-N198 PolarHBondContact N-O 3.43Å; V146-N198 PolarHBondContact O-N 2.83Å; R148-N198 HydrophobicContact CG-CB 3.66Å; N198-S219 PolarHBondContact ND2-OG 3.09Å; N198-S219 WeakPolarHBondContact OD1-CA 3.21Å; N198-S219 PolarHBondContact OD1-N 3.11Å; N198-S219 VanDerWaalsContact OD1-N 3.11Å; N198-L222 HydrophobicContact CB-CD2 3.8Å |
| 199 | Y | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.2 | 177.8 | -74.6 | -93.7 | 0 | 0 | 0 | 112 | L111 F143 Y144 H162 P164 L193 L194 R197 C221 T223 | L111-Y199 WeakPolarHBondContact CD2-O 3.24Å; F143-Y199 HydrophobicContact CD1-CD1 4.09Å; F143-Y199 AromaticContact CE1-CD1 3.35Å; F143-Y199 HydrophobicContact CE1-CD1 3.35Å; F143-Y199 AromaticContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CG 4.13Å; F143-Y199 HydrophobicContact CE2-CD1 4.17Å; F143-Y199 HydrophobicContact CE2-CG 4.39Å; F143-Y199 AromaticContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CE1 4.26Å; F143-Y199 AromaticContact CZ-CG 3.72Å; F143-Y199 HydrophobicContact CZ-CG 3.72Å; Y144-Y199 VanDerWaalsContact O-CA 3.31Å; Y144-Y199 WeakPolarHBondContact O-CA 3.31Å; H162-Y199 PolarHBondContact CE1-OH 2.68Å; H162-Y199 VanDerWaalsContact CE1-OH 3.3Å; H162-Y199 AromaticContact ND1-CE1 4Å; H162-Y199 AromaticContact ND1-CZ 3.73Å; H162-Y199 PolarHBondContact ND1-OH 3.16Å; P164-Y199 HydrophobicContact CG-CE1 3.87Å; L193-Y199 WeakPolarHBondContact CA-OH 3.18Å; L193-Y199 HydrophobicContact CB-CE2 3.71Å; L193-Y199 WeakPolarHBondContact CB-OH 3.21Å; L193-Y199 HydrophobicContact CD2-CD2 3.76Å; L193-Y199 HydrophobicContact CD2-CE2 3.72Å; L193-Y199 HydrophobicContact CD2-CG 4.19Å; L193-Y199 HydrophobicContact CG-CD2 4.18Å; L193-Y199 HydrophobicContact CG-CE1 4.06Å; L193-Y199 HydrophobicContact CG-CE2 3.67Å; L194-Y199 PolarHBondContact N-OH 3.24Å; R197-Y199 HydrophobicContact CB-CD2 3.97Å; R197-Y199 HydrophobicContact CB-CE2 3.48Å; R197-Y199 VanDerWaalsContact CB-CE2 3.48Å; R197-Y199 HydrophobicContact CG-CE2 4.25Å; Y199-C221 WeakPolarHBondContact CB-O 3.23Å; Y199-C221 WeakPolarHBondContact CD2-O 3.29Å; Y199-C221 PolarHBondContact N-O 2.8Å; Y199-C221 VanDerWaalsContact N-O 3.09Å; Y199-T223 HydrophobicContact CD2-CG2 4.06Å; Y199-T223 HydrophobicContact CE2-CG2 3.68Å |
| 200 | S | 95.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.9 | 175.2 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | F143 Y144 A217 S218 | F143-S200 WeakPolarHBondContact CA-O 3.21Å; F143-S200 WeakPolarHBondContact CD2-O 3.4Å; Y144-S200 PolarHBondContact N-O 3.18Å; Y144-S200 VanDerWaalsContact N-O 3.07Å; Y144-S200 PolarHBondContact O-N 3Å; S200-A217 CarbonylContact C-O 3.56Å; S200-A217 VanDerWaalsContact CA-O 3.31Å; S200-A217 WeakPolarHBondContact CA-O 3.5Å; S200-S218 VanDerWaalsContact OG-CB 3.24Å; S200-S218 WeakPolarHBondContact OG-CB 3.27Å |
| 201 | A | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L111 V124 D142 F143 Y216 A217 | L111-A201 HydrophobicContact CD1-CB 3.72Å; L111-A201 HydrophobicContact CD2-CB 4.34Å; L111-A201 HydrophobicContact CG-CB 4.38Å; V124-A201 HydrophobicContact CG1-CB 3.74Å; V124-A201 HydrophobicContact CG2-CB 4Å; D142-A201 CarbonylContact O-C 3.51Å; D142-A201 VanDerWaalsContact O-CA 3.26Å; D142-A201 WeakPolarHBondContact O-CA 3.44Å; F143-A201 HydrophobicContact CD2-CB 3.95Å; A201-Y216 WeakPolarHBondContact O-CA 3.42Å; A201-A217 PolarHBondContact N-O 3.21Å; A201-A217 PolarHBondContact O-N 2.85Å |
| 202 | T | 97.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 29 Ų | 29 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.9 | 168.4 | -57 | 0 | 0 | 0 | 0 | 108.4 | V141 D142 P214 T215 | V141-T202 WeakPolarHBondContact CA-O 3.44Å; D142-T202 PolarHBondContact N-O 3.11Å; D142-T202 PolarHBondContact O-N 3.18Å; T202-P214 HydrophobicContact CG2-CB 3.53Å; T202-T215 CarbonylContact C-O 3.57Å; T202-T215 WeakPolarHBondContact CA-O 3.31Å |
| 203 | V | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.9 | 177.1 | -171 | 0 | 0 | 0 | 0 | 109.7 | P106 L109 W126 Y139 M140 V141 T215 | P106-V203 HydrophobicContact CB-CB 4.49Å; P106-V203 HydrophobicContact CB-CG1 4.24Å; P106-V203 HydrophobicContact CG-CB 4.11Å; P106-V203 HydrophobicContact CG-CG1 3.73Å; L109-V203 HydrophobicContact CD1-CB 4.45Å; L109-V203 HydrophobicContact CD1-CG2 3.52Å; L109-V203 HydrophobicContact CD2-CB 4.49Å; L109-V203 HydrophobicContact CD2-CG2 4.04Å; L109-V203 HydrophobicContact CG-CG2 4.44Å; W126-V203 HydrophobicContact CD2-CG1 4.02Å; W126-V203 HydrophobicContact CD2-CG2 4.19Å; W126-V203 HydrophobicContact CE3-CG2 4.04Å; W126-V203 HydrophobicContact CG-CG1 4.25Å; W126-V203 HydrophobicContact CZ2-CG1 4.22Å; W126-V203 HydrophobicContact CZ3-CG2 4.38Å; Y139-V203 HydrophobicContact CD1-CG1 3.95Å; Y139-V203 HydrophobicContact CG-CG1 4.28Å; M140-V203 WeakPolarHBondContact O-CA 3.34Å; V141-V203 HydrophobicContact CG1-CG2 4.44Å; V141-V203 HydrophobicContact CG2-CG1 4.36Å; V141-V203 HydrophobicContact CG2-CG2 4.34Å; V203-T215 PolarHBondContact N-O 3.19Å; V203-T215 PolarHBondContact O-N 2.76Å |
| 204 | V | 96.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.6 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | Y139 M140 K211 P214 | Y139-V204 CarbonylContact C-O 3.54Å; Y139-V204 VanDerWaalsContact CA-O 3.31Å; Y139-V204 WeakPolarHBondContact CA-O 3.28Å; M140-V204 HydrophobicContact CB-CB 4.48Å; M140-V204 HydrophobicContact CE-CB 3.77Å; M140-V204 HydrophobicContact CE-CG1 3.53Å; M140-V204 PolarHBondContact N-O 3.31Å; M140-V204 PolarHBondContact O-N 2.81Å; V204-K211 HydrophobicContact CG1-CB 3.84Å; V204-K211 HydrophobicContact CG1-CG 4.38Å; V204-P214 HydrophobicContact CG2-CB 3.88Å |
| 205 | A | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P103 P106 P129 V136 Y139 K211 S212 | P103-A205 HydrophobicContact CB-CB 4.26Å; P103-A205 HydrophobicContact CG-CB 3.9Å; P106-A205 HydrophobicContact CG-CB 4.23Å; P129-A205 HydrophobicContact CG-CB 4.26Å; V136-A205 HydrophobicContact CG1-CB 4.17Å; V136-A205 HydrophobicContact CG2-CB 4.07Å; Y139-A205 HydrophobicContact CD1-CB 3.99Å; Y139-A205 HydrophobicContact CE1-CB 3.84Å; A205-K211 WeakPolarHBondContact O-CA 3.39Å; A205-S212 PolarHBondContact N-OG 3.33Å; A205-S212 PolarHBondContact O-N 2.99Å; A205-S212 PolarHBondContact O-OG 2.83Å |
| 206 | V | 90.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.2 | 177.1 | -169.4 | 0 | 0 | 0 | 0 | 109 | H137 Y138 M140 K211 | H137-V206 PolarHBondContact N-O 2.73Å; Y138-V206 HydrophobicContact CD1-CB 4.26Å; Y138-V206 HydrophobicContact CD2-CB 4.06Å; Y138-V206 HydrophobicContact CD2-CG2 4.02Å; Y138-V206 HydrophobicContact CE1-CB 3.91Å; Y138-V206 HydrophobicContact CE1-CG1 3.81Å; Y138-V206 HydrophobicContact CE2-CB 3.72Å; Y138-V206 HydrophobicContact CE2-CG1 4.15Å; Y138-V206 HydrophobicContact CE2-CG2 3.52Å; Y138-V206 HydrophobicContact CG-CB 4.33Å; Y138-V206 PolarHBondContact N-O 2.8Å; Y138-V206 PolarHBondContact O-N 2.99Å; M140-V206 HydrophobicContact CE-CG2 3.44Å; M140-V206 VanDerWaalsContact CE-CG2 3.44Å; M140-V206 HydrophobicContact CG-CG2 4.03Å; M140-V206 HydrophobicContact SD-CG2 4.16Å; V206-K211 HydrophobicContact CG1-CG 4.47Å; V206-K211 HydrophobicContact CG2-CG 4.23Å |
| 207 | G | 86.7 | Confident | 92.6 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -171.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | S135 F209 G210 | S135-G207 WeakPolarHBondContact O-CA 3.33Å; G207-F209 VanDerWaalsContact C-N 3.34Å; G207-F209 PolarHBondContact O-N 2.7Å; G207-G210 PolarHBondContact N-O 3.38Å; G207-G210 PolarHBondContact O-N 3.03Å |
| 208 | P | 76.4 | Confident | 92.4 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.3 | -176.6 | 22.2 | -28.7 | 0 | 0 | 0 | 113.9 | F95 | F95-P208 HydrophobicContact CD1-CB 3.78Å; F95-P208 HydrophobicContact CD1-CG 3.69Å; F95-P208 HydrophobicContact CD2-CB 4.33Å; F95-P208 HydrophobicContact CE1-CB 3.27Å; F95-P208 HydrophobicContact CE1-CG 3.71Å; F95-P208 HydrophobicContact CE2-CB 3.88Å; F95-P208 HydrophobicContact CG-CB 4.32Å; F95-P208 HydrophobicContact CG-CG 4.19Å; F95-P208 HydrophobicContact CZ-CB 3.33Å; F95-P208 HydrophobicContact CZ-CG 4.19Å |
| 209 | F | 81.7 | Confident | 91.7 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 40% | 0.395 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.5 | -176.8 | -61.4 | -80.2 | 0 | 0 | 0 | 114.1 | F95 E99 G207 | F95-F209 HydrophobicContact CD2-CE2 4.31Å; F95-F209 HydrophobicContact CD2-CZ 4.16Å; E99-F209 VanDerWaalsContact C-CE2 3.5Å; E99-F209 HydrophobicContact CB-CD2 4.02Å; E99-F209 HydrophobicContact CB-CE2 3.53Å; E99-F209 WeakPolarHBondContact O-CE2 3.24Å; E99-F209 WeakPolarHBondContact O-CZ 3.1Å; G207-F209 VanDerWaalsContact C-N 3.34Å; G207-F209 PolarHBondContact O-N 2.7Å |
| 210 | G | 87.1 | Confident | 91.1 | Very high | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.8 | -160.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G207 | G207-G210 PolarHBondContact N-O 3.38Å; G207-G210 PolarHBondContact O-N 3.03Å |
| 211 | K | 92.2 | Very high | 91.1 | Very high | 131 Ų | 131 | 46.3 Ų | 46.3 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 142.6 | -178 | -60.7 | 179.7 | 178.4 | -171.5 | 0 | 110.1 | P102 M140 V204 A205 V206 | P102-K211 WeakPolarHBondContact CB-O 3.45Å; M140-K211 HydrophobicContact CE-CD 3.5Å; M140-K211 VanDerWaalsContact CE-CE 3.47Å; M140-K211 HydrophobicContact CE-CG 4Å; V204-K211 HydrophobicContact CG1-CB 3.84Å; V204-K211 HydrophobicContact CG1-CG 4.38Å; A205-K211 WeakPolarHBondContact O-CA 3.39Å; V206-K211 HydrophobicContact CG1-CG 4.47Å; V206-K211 HydrophobicContact CG2-CG 4.23Å |
| 212 | S | 93.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 169.1 | 167.9 | 73.8 | 0 | 0 | 0 | 0 | 111.3 | P103 G104 A205 | P103-S212 WeakPolarHBondContact O-CA 3.27Å; P103-S212 WeakPolarHBondContact O-CB 3.39Å; G104-S212 VanDerWaalsContact O-CB 3.25Å; G104-S212 WeakPolarHBondContact O-CB 3.46Å; A205-S212 PolarHBondContact N-OG 3.33Å; A205-S212 PolarHBondContact O-N 2.99Å; A205-S212 PolarHBondContact O-OG 2.83Å |
| 213 | S | 94.2 | Very high | 90.7 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 51% | 0.51 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 151 | 156.3 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 214 | P | 96.5 | Very high | 90.6 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 140.2 | 178.1 | 28.1 | -32.8 | 0 | 0 | 0 | 111.9 | T202 V204 | T202-P214 HydrophobicContact CG2-CB 3.53Å; V204-P214 HydrophobicContact CG2-CB 3.88Å |
| 215 | T | 96.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.172 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.1 | 162.7 | -53.4 | 0 | 0 | 0 | 0 | 108.4 | P105 P106 L109 T202 V203 | P105-T215 WeakPolarHBondContact CB-OG1 3.07Å; P106-T215 WeakPolarHBondContact CD-OG1 3.18Å; P106-T215 WeakPolarHBondContact O-CB 3.24Å; P106-T215 WeakPolarHBondContact O-CG2 3.45Å; P106-T215 PolarHBondContact O-OG1 3.49Å; L109-T215 HydrophobicContact CB-CG2 3.55Å; L109-T215 HydrophobicContact CD2-CG2 3.98Å; L109-T215 WeakPolarHBondContact CD2-O 3.31Å; L109-T215 HydrophobicContact CG-CG2 4.43Å; T202-T215 CarbonylContact C-O 3.57Å; T202-T215 WeakPolarHBondContact CA-O 3.31Å; V203-T215 PolarHBondContact N-O 3.19Å; V203-T215 PolarHBondContact O-N 2.76Å |
| 216 | Y | 95.3 | Very high | 90.4 | Very high | 186 Ų | 186 | 47 Ų | 47 | 73% | 0.729 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.1 | -176.3 | 69.7 | -86.7 | 0 | 0 | 0 | 111.2 | A201 | A201-Y216 WeakPolarHBondContact O-CA 3.42Å |
| 217 | A | 94 | Very high | 90.5 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L109 L111 S200 A201 | L109-A217 HydrophobicContact CB-CB 4.41Å; L109-A217 HydrophobicContact CD2-CB 3.84Å; L109-A217 HydrophobicContact CG-CB 3.73Å; L111-A217 HydrophobicContact CD1-CB 3.53Å; S200-A217 CarbonylContact C-O 3.56Å; S200-A217 VanDerWaalsContact CA-O 3.31Å; S200-A217 WeakPolarHBondContact CA-O 3.5Å; A201-A217 PolarHBondContact N-O 3.21Å; A201-A217 PolarHBondContact O-N 2.85Å |
| 218 | S | 89.5 | Confident | 90.8 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 165.7 | -176.4 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | S200 Q220 | S200-S218 VanDerWaalsContact OG-CB 3.24Å; S200-S218 WeakPolarHBondContact OG-CB 3.27Å; S218-Q220 VanDerWaalsContact C-N 3.29Å; S218-Q220 PolarHBondContact O-N 3.19Å |
| 219 | S | 78.2 | Confident | 91.5 | Very high | 63 Ų | 63 | 52 Ų | 52 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.6 | 14.9 | 166.1 | -50.3 | 0 | 0 | 0 | 0 | 117.1 | N198 | N198-S219 PolarHBondContact ND2-OG 3.09Å; N198-S219 WeakPolarHBondContact OD1-CA 3.21Å; N198-S219 PolarHBondContact OD1-N 3.11Å; N198-S219 VanDerWaalsContact OD1-N 3.11Å |
| 220 | Q | 84.2 | Confident | 92 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -25 | 175.8 | -59.9 | 172 | -42.6 | 0 | 0 | 112.9 | L111 S218 | L111-Q220 HydrophobicContact CB-CB 3.76Å; L111-Q220 VanDerWaalsContact O-CB 3.23Å; L111-Q220 WeakPolarHBondContact O-CB 2.97Å; L111-Q220 PolarHBondContact O-OE1 2.91Å; S218-Q220 VanDerWaalsContact C-N 3.29Å; S218-Q220 PolarHBondContact O-N 3.19Å |
| 221 | C | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 72.8 | 172.6 | -74.7 | 0 | 0 | 0 | 0 | 110.6 | L111 I113 C122 Y199 | L111-C221 HydrophobicContact CD2-CB 4.34Å; I113-C221 HydrophobicContact CD1-CB 3.77Å; I113-C221 HydrophobicContact CG1-CB 4.33Å; C122-C221 HydrophobicContact CB-CB 3.81Å; C122-C221 WeakPolarHBondContact CB-SG 3.41Å; C122-C221 WeakPolarHBondContact SG-CB 3.42Å; C122-C221 CovalentContact SG-SG 2.03Å; C122-C221 PolarHBondContact SG-SG 2.9Å; Y199-C221 WeakPolarHBondContact CB-O 3.23Å; Y199-C221 WeakPolarHBondContact CD2-O 3.29Å; Y199-C221 PolarHBondContact N-O 2.8Å; Y199-C221 VanDerWaalsContact N-O 3.09Å |
| 222 | L | 93.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131 | 173.8 | -55.5 | 178.8 | 0 | 0 | 0 | 110 | R119 N198 V369 | R119-L222 VanDerWaalsContact CZ-O 3.22Å; R119-L222 PolarHBondContact NE-O 3.3Å; R119-L222 PolarHBondContact NH2-O 2.71Å; N198-L222 HydrophobicContact CB-CD2 3.8Å; L222-V369 HydrophobicContact CB-CB 4.22Å; L222-V369 HydrophobicContact CB-CG1 3.69Å; L222-V369 HydrophobicContact CD1-CG1 4.29Å |
| 223 | T | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -96 | 150.1 | 174.3 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | R119 R148 L193 L194 S195 N196 R197 Y199 | R119-T223 VanDerWaalsContact O-CG2 3.28Å; R119-T223 WeakPolarHBondContact O-CG2 3.35Å; R148-T223 PolarHBondContact NH1-O 3.32Å; L193-T223 HydrophobicContact CB-CG2 3.89Å; L193-T223 HydrophobicContact CD2-CG2 4.1Å; L194-T223 WeakPolarHBondContact O-CB 3.46Å; L194-T223 WeakPolarHBondContact O-CG2 3.45Å; L194-T223 PolarHBondContact O-OG1 3.06Å; S195-T223 WeakPolarHBondContact CA-OG1 3.44Å; N196-T223 PolarHBondContact N-OG1 2.73Å; N196-T223 VanDerWaalsContact N-OG1 3.16Å; R197-T223 PolarHBondContact N-OG1 2.97Å; R197-T223 PolarHBondContact O-N 3.38Å; R197-T223 PolarHBondContact O-OG1 3.36Å; Y199-T223 HydrophobicContact CD2-CG2 4.06Å; Y199-T223 HydrophobicContact CE2-CG2 3.68Å |
| 224 | S | 93.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 169.9 | 174.6 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | S195 N196 D366 Y370 | S195-S224 CarbonylContact C-O 3.6Å; S195-S224 VanDerWaalsContact CA-O 3.28Å; S195-S224 WeakPolarHBondContact CA-O 3.4Å; S195-S224 VanDerWaalsContact CB-O 3.29Å; S195-S224 WeakPolarHBondContact CB-O 3.33Å; N196-S224 PolarHBondContact N-O 3.11Å; S224-D366 PolarHBondContact OG-N 2.78Å; S224-Y370 WeakPolarHBondContact CB-OH 3.34Å |
| 225 | F | 93.8 | Very high | 93 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 154.1 | 166.4 | -57.8 | -32.9 | 0 | 0 | 0 | 110.9 | N196 N257 P259 V363 D366 | N196-F225 HydrophobicContact CB-CD1 3.95Å; N196-F225 HydrophobicContact CB-CE1 4.4Å; F225-N257 CarbonylContact C-O 3.57Å; F225-N257 WeakPolarHBondContact CA-O 3.07Å; F225-P259 HydrophobicContact CD2-CG 3.92Å; F225-P259 HydrophobicContact CE2-CG 3.81Å; F225-P259 HydrophobicContact CZ-CG 4.33Å; F225-V363 HydrophobicContact CB-CG1 3.62Å; F225-D366 HydrophobicContact CD1-CB 4.05Å; F225-D366 HydrophobicContact CD2-CB 3.62Å; F225-D366 HydrophobicContact CE1-CB 4.06Å; F225-D366 HydrophobicContact CE2-CB 3.62Å; F225-D366 HydrophobicContact CG-CB 3.82Å; F225-D366 HydrophobicContact CZ-CB 3.83Å |
| 226 | G | 93.2 | Very high | 93 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -148.4 | 172.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S195 N257 | S195-G226 WeakPolarHBondContact OG-CA 3.07Å; G226-N257 PolarHBondContact N-O 2.69Å; G226-N257 CarbonylContact O-C 3.54Å; G226-N257 WeakPolarHBondContact O-CB 3.16Å | ||
| 227 | P | 93.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | trans | -65.1 | 153.1 | -172.9 | 21.9 | -27.9 | 0 | 0 | 0 | 112.3 | N257 T387 | P227-N257 WeakPolarHBondContact O-CB 3.26Å; P227-N257 PolarHBondContact O-ND2 3.46Å; P227-T387 WeakPolarHBondContact CD-OG1 3.4Å | ||
| 228 | P | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | trans | -62 | 144 | 169.7 | 27.2 | -33.7 | 0 | 0 | 0 | 110.2 | I231 P253 D254 I260 A361 S389 | P228-I231 HydrophobicContact CG-CD1 4.18Å; P228-I231 HydrophobicContact CG-CG1 4.05Å; P228-P253 HydrophobicContact CB-CB 4.19Å; P228-P253 HydrophobicContact CG-CB 4.42Å; P228-D254 WeakPolarHBondContact CB-O 3.44Å; P228-I260 HydrophobicContact CG-CD1 4.41Å; P228-A361 HydrophobicContact CG-CB 3.93Å; P228-S389 WeakPolarHBondContact O-CB 3.5Å; P228-S389 PolarHBondContact O-OG 2.99Å | ||
| 229 | T | 91 | Very high | 93.1 | Very high | 112 Ų | 112 | 44 Ų | 44 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -73.4 | -32.6 | -173 | -46.8 | 0 | 0 | 0 | 0 | 111.9 | N257 | T229-N257 PolarHBondContact OG1-ND2 3.02Š|
| 230 | N | 91.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | trans | -140.1 | 136.6 | -179.8 | -174.4 | 51.1 | 0 | 0 | 0 | 110 | ||||
| 231 | I | 94.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | trans | -122.1 | 123.7 | 170.3 | -59.2 | -176.7 | 0 | 0 | 0 | 106.7 | P228 P253 L359 A361 S389 | P228-I231 HydrophobicContact CG-CD1 4.18Å; P228-I231 HydrophobicContact CG-CG1 4.05Å; I231-P253 HydrophobicContact CB-CG 4.34Å; I231-P253 HydrophobicContact CG1-CB 4.28Å; I231-P253 HydrophobicContact CG1-CG 4.04Å; I231-P253 HydrophobicContact CG2-CG 3.95Å; I231-L359 HydrophobicContact CG2-CB 4.26Å; I231-L359 HydrophobicContact CG2-CD2 3.79Å; I231-L359 HydrophobicContact CG2-CG 4.17Å; I231-A361 HydrophobicContact CD1-CB 3.52Å; I231-S389 VanDerWaalsContact CD1-C 3.47Å; I231-S389 VanDerWaalsContact CD1-O 3.3Å; I231-S389 WeakPolarHBondContact CD1-O 3.24Å | ||
| 232 | E | 96.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -66 | 135.8 | 175.5 | -171 | 173.4 | -175 | 0 | 0 | 110.9 | P234 Q250 S251 | E232-P234 WeakPolarHBondContact O-CD 3.49Å; E232-Q250 PolarHBondContact OE1-NE2 3.26Å; E232-Q250 VanDerWaalsContact OE1-NE2 3.13Å; E232-Q250 PolarHBondContact OE1-OE1 2.88Å; E232-Q250 WeakPolarHBondContact OE2-CB 3.28Å; E232-S251 WeakPolarHBondContact OE2-CB 3.06Å; E232-S251 PolarHBondContact OE2-OG 3.07Å |
| 233 | T | 97.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.6 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | G392 Y393 F394 | T233-G392 WeakPolarHBondContact CG2-O 3.42Å; T233-G392 WeakPolarHBondContact OG1-CA 3.46Å; T233-G392 PolarHBondContact OG1-N 2.89Å; T233-Y393 VanDerWaalsContact CG2-C 3.48Å; T233-Y393 WeakPolarHBondContact CG2-O 3.47Å; T233-F394 HydrophobicContact CG2-CB 4.03Å |
| 234 | P | 97.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 160.3 | 174.6 | -21.3 | 32 | 0 | 0 | 0 | 112.6 | E232 V247 E248 F249 L359 F394 | E232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-V247 HydrophobicContact CB-CG1 3.58Å; P234-V247 HydrophobicContact CG-CG1 4.48Å; P234-E248 WeakPolarHBondContact CA-O 3.36Å; P234-F249 HydrophobicContact CB-CD1 4.07Å; P234-F249 HydrophobicContact CB-CE1 4.18Å; P234-F249 HydrophobicContact CG-CD1 3.92Å; P234-F249 HydrophobicContact CG-CE1 3.89Å; P234-L359 HydrophobicContact CG-CB 3.79Å; P234-F394 WeakPolarHBondContact O-CB 3.26Å |
| 235 | V | 98 | Very high | 93.3 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 30% | 0.297 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.8 | 173 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | V247 E248 Q250 | V235-V247 WeakPolarHBondContact O-CA 3.21Å; V235-E248 HydrophobicContact CB-CB 4.49Å; V235-E248 PolarHBondContact N-O 2.97Å; V235-E248 PolarHBondContact O-N 2.89Å; V235-Q250 HydrophobicContact CG2-CG 4.17Å; V235-Q250 VanDerWaalsContact CG2-NE2 3.29Å |
| 236 | A | 97.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 51 Ų | 51 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I245 A246 V247 F394 V397 | A236-I245 HydrophobicContact CB-CG2 3.96Å; A236-A246 CarbonylContact C-O 3.58Å; A236-A246 WeakPolarHBondContact CA-O 3.5Å; A236-V247 HydrophobicContact CB-CG2 4.16Å; A236-F394 HydrophobicContact CB-CB 4.33Å; A236-F394 HydrophobicContact CB-CD1 4.1Å; A236-F394 HydrophobicContact CB-CD2 3.37Å; A236-F394 HydrophobicContact CB-CE1 4.18Å; A236-F394 HydrophobicContact CB-CE2 3.44Å; A236-F394 VanDerWaalsContact CB-CE2 3.44Å; A236-F394 HydrophobicContact CB-CG 3.71Å; A236-F394 HydrophobicContact CB-CZ 3.86Å; A236-V397 HydrophobicContact CB-CG2 3.59Å |
| 237 | K | 96 | Very high | 93.5 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 47% | 0.47 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.1 | 176.8 | -63.5 | 171.1 | -171.9 | 143.3 | 0 | 109.3 | G239 I245 A246 E248 | K237-G239 PolarHBondContact O-N 2.94Å; K237-I245 CarbonylContact O-C 3.59Å; K237-I245 WeakPolarHBondContact O-CA 3.4Å; K237-I245 WeakPolarHBondContact O-CG2 3.46Å; K237-A246 PolarHBondContact N-O 3.08Å; K237-A246 PolarHBondContact O-N 3.06Å; K237-E248 IonicContact NZ-OE1 2.89Å; K237-E248 IonicContact NZ-OE2 2.73Å; K237-E248 PolarHBondContact NZ-OE2 2.84Å |
| 238 | R | 94.6 | Very high | 93.7 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 137.5 | 169.9 | -175.7 | 178.7 | -178.5 | 168.5 | -14.9 | 108.9 | D242 V397 L399 G400 | R238-D242 IonicContact CZ-OD1 2.8Å; R238-D242 IonicContact NE-OD1 3.3Å; R238-D242 PolarHBondContact NE-OD1 2.6Å; R238-D242 IonicContact NH2-OD1 3.4Å; R238-D242 PolarHBondContact NH2-OD1 2.74Å; R238-D242 IonicContact NH2-OD2 2.89Å; R238-D242 PolarHBondContact NH2-OD2 2.03Å; R238-V397 HydrophobicContact CB-CG1 4.12Å; R238-L399 HydrophobicContact CB-CD2 4.48Å; R238-L399 HydrophobicContact CG-CD2 3.95Å; R238-G400 PolarHBondContact NH1-O 3.39Å |
| 239 | G | 90.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | -69.4 | -166.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K237 D241 T244 | K237-G239 PolarHBondContact O-N 2.94Å; G239-D241 PolarHBondContact O-N 2.81Å; G239-T244 WeakPolarHBondContact CA-OG1 3.5Å; G239-T244 PolarHBondContact N-O 2.93Å | ||
| 240 | L | 86 | Confident | 94 | Very high | 182 Ų | 182 | 53.3 Ų | 53.3 | 95% | 0.953 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76 | -13.8 | 176.8 | -67.1 | 174.4 | 0 | 0 | 0 | 112.5 | ||
| 241 | D | 85.8 | Confident | 93.9 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -121.7 | 178.2 | 174.4 | 60.2 | 39.2 | 0 | 0 | 0 | 110.6 | G239 K243 T244 | G239-D241 PolarHBondContact O-N 2.81Å; D241-K243 PolarHBondContact O-N 2.69Å; D241-K243 WeakPolarHBondContact OD1-CA 3.43Å; D241-K243 PolarHBondContact OD1-N 3Å; D241-T244 VanDerWaalsContact CG-OG1 3.29Å; D241-T244 VanDerWaalsContact OD1-CB 3.23Å; D241-T244 WeakPolarHBondContact OD1-CB 3.39Å; D241-T244 VanDerWaalsContact OD1-CG2 3.27Å; D241-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D241-T244 PolarHBondContact OD1-N 3.4Å; D241-T244 PolarHBondContact OD1-OG1 2.62Å; D241-T244 WeakPolarHBondContact OD2-CG2 3.35Å |
| 242 | D | 86.9 | Confident | 93.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 25.8 | -179.9 | -56.3 | -12.3 | 0 | 0 | 0 | 111.7 | R238 R351 | R238-D242 IonicContact CZ-OD1 2.8Å; R238-D242 IonicContact NE-OD1 3.3Å; R238-D242 PolarHBondContact NE-OD1 2.6Å; R238-D242 IonicContact NH2-OD1 3.4Å; R238-D242 PolarHBondContact NH2-OD1 2.74Å; R238-D242 IonicContact NH2-OD2 2.89Å; R238-D242 PolarHBondContact NH2-OD2 2.03Å; D242-R351 HydrophobicContact CB-CG 3.99Å; D242-R351 VanDerWaalsContact O-CG 3.24Å; D242-R351 WeakPolarHBondContact O-CG 3.38Å; D242-R351 IonicContact OD2-CZ 2.63Å; D242-R351 IonicContact OD2-NE 3.67Å; D242-R351 IonicContact OD2-NH1 3.26Å; D242-R351 IonicContact OD2-NH2 3.39Å; D242-R351 PolarHBondContact OD2-NH2 3.01Å |
| 243 | K | 91.5 | Very high | 93.5 | Very high | 86 Ų | 86 | 51 Ų | 51 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -4.4 | -174.8 | -66.1 | 179.5 | 165.4 | -161.5 | 0 | 112.1 | D241 E348 L349 | D241-K243 PolarHBondContact O-N 2.69Å; D241-K243 WeakPolarHBondContact OD1-CA 3.43Å; D241-K243 PolarHBondContact OD1-N 3Å; K243-E348 HydrophobicContact CD-CG 4.44Å; K243-E348 WeakPolarHBondContact CD-OE1 3.24Å; K243-E348 WeakPolarHBondContact CE-OE1 3.34Å; K243-E348 IonicContact NZ-OE1 3.15Å; K243-E348 PolarHBondContact NZ-OE1 2.75Å; K243-L349 WeakPolarHBondContact O-CB 3.47Å; K243-L349 WeakPolarHBondContact O-CG 3.49Å; K243-L349 PolarHBondContact O-N 2.81Å |
| 244 | T | 94.9 | Very high | 93 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | trans | -131.2 | 156.1 | -176.7 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | G239 D241 I321 I322 D324 L399 | G239-T244 WeakPolarHBondContact CA-OG1 3.5Å; G239-T244 PolarHBondContact N-O 2.93Å; D241-T244 VanDerWaalsContact CG-OG1 3.29Å; D241-T244 VanDerWaalsContact OD1-CB 3.23Å; D241-T244 WeakPolarHBondContact OD1-CB 3.39Å; D241-T244 VanDerWaalsContact OD1-CG2 3.27Å; D241-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D241-T244 PolarHBondContact OD1-N 3.4Å; D241-T244 PolarHBondContact OD1-OG1 2.62Å; D241-T244 WeakPolarHBondContact OD2-CG2 3.35Å; T244-I321 HydrophobicContact CG2-CG2 4.07Å; T244-I322 CarbonylContact C-O 3.47Å; T244-I322 WeakPolarHBondContact CA-O 3.3Å; T244-I322 WeakPolarHBondContact CB-O 3.36Å; T244-D324 HydrophobicContact CG2-CB 4.17Å; T244-L399 WeakPolarHBondContact O-CD2 3.27Å | ||
| 245 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.8 | 175.9 | -62.8 | 169.4 | 0 | 0 | 0 | 108.3 | A236 K237 V247 I321 I322 L349 Y355 V397 L399 | A236-I245 HydrophobicContact CB-CG2 3.96Å; K237-I245 CarbonylContact O-C 3.59Å; K237-I245 WeakPolarHBondContact O-CA 3.4Å; K237-I245 WeakPolarHBondContact O-CG2 3.46Å; I245-V247 HydrophobicContact CG2-CG2 3.99Å; I245-I321 CarbonylContact O-C 3.53Å; I245-I321 WeakPolarHBondContact O-CA 3.02Å; I245-I322 HydrophobicContact CB-CB 4.47Å; I245-I322 PolarHBondContact N-O 3.1Å; I245-I322 PolarHBondContact O-N 3.4Å; I245-L349 HydrophobicContact CB-CD1 4.33Å; I245-L349 HydrophobicContact CD1-CD1 3.5Å; I245-L349 HydrophobicContact CG1-CD1 3.65Å; I245-Y355 HydrophobicContact CD1-CD1 4.34Å; I245-Y355 HydrophobicContact CD1-CD2 3.87Å; I245-Y355 HydrophobicContact CD1-CG 3.54Å; I245-V397 HydrophobicContact CD1-CB 4.19Å; I245-V397 HydrophobicContact CD1-CG1 4.4Å; I245-V397 HydrophobicContact CG1-CB 4.29Å; I245-V397 HydrophobicContact CG1-CG1 4Å; I245-V397 HydrophobicContact CG2-CB 4.39Å; I245-V397 HydrophobicContact CG2-CG1 4.43Å; I245-V397 HydrophobicContact CG2-CG2 4.06Å; I245-L399 HydrophobicContact CG1-CD1 4.27Å; I245-L399 HydrophobicContact CG1-CD2 4.01Å; I245-L399 HydrophobicContact CG1-CG 4.43Å |
| 246 | A | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A236 K237 | A236-A246 CarbonylContact C-O 3.58Å; A236-A246 WeakPolarHBondContact CA-O 3.5Å; K237-A246 PolarHBondContact N-O 3.08Å; K237-A246 PolarHBondContact O-N 3.06Å |
| 247 | V | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.4 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | P234 V235 A236 I245 F249 L265 R319 T320 I322 | P234-V247 HydrophobicContact CB-CG1 3.58Å; P234-V247 HydrophobicContact CG-CG1 4.48Å; V235-V247 WeakPolarHBondContact O-CA 3.21Å; A236-V247 HydrophobicContact CB-CG2 4.16Å; I245-V247 HydrophobicContact CG2-CG2 3.99Å; V247-F249 HydrophobicContact CG1-CE1 4.16Å; V247-F249 HydrophobicContact CG1-CZ 4.11Å; V247-L265 HydrophobicContact CB-CD2 4.21Å; V247-L265 HydrophobicContact CG1-CD1 4.48Å; V247-L265 HydrophobicContact CG1-CD2 4.19Å; V247-L265 HydrophobicContact CG2-CD2 4.11Å; V247-R319 CarbonylContact O-C 3.6Å; V247-R319 VanDerWaalsContact O-CA 3.24Å; V247-R319 WeakPolarHBondContact O-CA 3.46Å; V247-T320 HydrophobicContact CB-CG2 3.86Å; V247-T320 PolarHBondContact N-O 3.06Å; V247-T320 PolarHBondContact O-N 3.34Å; V247-I322 HydrophobicContact CG2-CG1 4.33Å |
| 248 | E | 97.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.5 | -179.7 | -65.4 | 176.7 | 155.9 | 0 | 0 | 110.1 | P234 V235 K237 R319 | P234-E248 WeakPolarHBondContact CA-O 3.36Å; V235-E248 HydrophobicContact CB-CB 4.49Å; V235-E248 PolarHBondContact N-O 2.97Å; V235-E248 PolarHBondContact O-N 2.89Å; K237-E248 IonicContact NZ-OE1 2.89Å; K237-E248 IonicContact NZ-OE2 2.73Å; K237-E248 PolarHBondContact NZ-OE2 2.84Å; E248-R319 HydrophobicContact CG-CB 4.45Å; E248-R319 HydrophobicContact CG-CG 4.32Å |
| 249 | F | 96.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | trans | -102.1 | 110.3 | 178.2 | -56.5 | -77.1 | 0 | 0 | 0 | 109.1 | P234 V247 L265 Y313 L316 P317 R318 T320 L359 | P234-F249 HydrophobicContact CB-CD1 4.07Å; P234-F249 HydrophobicContact CB-CE1 4.18Å; P234-F249 HydrophobicContact CG-CD1 3.92Å; P234-F249 HydrophobicContact CG-CE1 3.89Å; V247-F249 HydrophobicContact CG1-CE1 4.16Å; V247-F249 HydrophobicContact CG1-CZ 4.11Å; F249-L265 HydrophobicContact CZ-CD2 4.19Å; F249-Y313 HydrophobicContact CE2-CE2 4.47Å; F249-Y313 HydrophobicContact CZ-CE2 4.18Å; F249-L316 HydrophobicContact CB-CD2 3.95Å; F249-L316 HydrophobicContact CB-CG 4.13Å; F249-L316 HydrophobicContact CD1-CD1 3.87Å; F249-L316 HydrophobicContact CD1-CD2 4.22Å; F249-L316 HydrophobicContact CD1-CG 4.25Å; F249-L316 HydrophobicContact CD2-CD1 4.24Å; F249-L316 HydrophobicContact CD2-CG 4.33Å; F249-L316 HydrophobicContact CE1-CD1 3.97Å; F249-L316 HydrophobicContact CE2-CD1 4.31Å; F249-L316 HydrophobicContact CG-CD1 3.99Å; F249-L316 HydrophobicContact CG-CD2 4.15Å; F249-L316 HydrophobicContact CG-CG 3.98Å; F249-L316 HydrophobicContact CZ-CD1 4.17Å; F249-P317 WeakPolarHBondContact CB-O 3.44Å; F249-P317 HydrophobicContact CD2-CG 4.28Å; F249-P317 WeakPolarHBondContact CD2-O 3.29Å; F249-P317 HydrophobicContact CE2-CG 4.02Å; F249-R318 PolarHBondContact N-O 3.14Å; F249-T320 HydrophobicContact CE2-CG2 3.86Å; F249-T320 HydrophobicContact CZ-CG2 4.13Å; F249-L359 HydrophobicContact CD1-CD2 4.04Å; F249-L359 HydrophobicContact CE1-CD1 3.88Å; F249-L359 HydrophobicContact CE1-CD2 4.19Å; F249-L359 HydrophobicContact CE1-CG 4.48Å | ||
| 250 | Q | 92.5 | Very high | 91.6 | Very high | 121 Ų | 121 | 45 Ų | 45 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | trans | -73 | -38.1 | -172.1 | -67.2 | -175.7 | 76.4 | 0 | 0 | 112.9 | E232 V235 | E232-Q250 PolarHBondContact OE1-NE2 3.26Å; E232-Q250 VanDerWaalsContact OE1-NE2 3.13Å; E232-Q250 PolarHBondContact OE1-OE1 2.88Å; E232-Q250 WeakPolarHBondContact OE2-CB 3.28Å; V235-Q250 HydrophobicContact CG2-CG 4.17Å; V235-Q250 VanDerWaalsContact CG2-NE2 3.29Å | ||
| 251 | S | 90.9 | Very high | 91.9 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | trans | -145.9 | 153.6 | 179.7 | 66 | 0 | 0 | 0 | 0 | 111.8 | E232 | E232-S251 WeakPolarHBondContact OE2-CB 3.06Å; E232-S251 PolarHBondContact OE2-OG 3.07Å | ||
| 252 | V | 90.8 | Very high | 92.2 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -84.8 | 130.8 | 170 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | Y263 | V252-Y263 WeakPolarHBondContact CG1-OH 3.3Š|
| 253 | P | 91.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 149.7 | 176.7 | -23.4 | 34.2 | 0 | 0 | 0 | 112.3 | P228 I231 I260 Y263 | P228-P253 HydrophobicContact CB-CB 4.19Å; P228-P253 HydrophobicContact CG-CB 4.42Å; I231-P253 HydrophobicContact CB-CG 4.34Å; I231-P253 HydrophobicContact CG1-CB 4.28Å; I231-P253 HydrophobicContact CG1-CG 4.04Å; I231-P253 HydrophobicContact CG2-CG 3.95Å; P253-I260 HydrophobicContact CB-CD1 3.87Å; P253-I260 HydrophobicContact CG-CD1 4.44Å; P253-Y263 HydrophobicContact CG-CE1 4.1Å |
| 254 | D | 87.4 | Confident | 92.7 | Very high | 62 Ų | 62 | 30.3 Ų | 30.3 | 33% | 0.332 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 145.3 | 176.2 | 69.3 | 89.5 | 0 | 0 | 0 | 112.1 | P228 I256 | P228-D254 WeakPolarHBondContact CB-O 3.44Å; D254-I256 WeakPolarHBondContact OD1-CG2 3.43Å |
| 255 | D | 87.9 | Confident | 92.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | trans | -103.4 | 22.1 | -179.5 | 56.4 | 26.8 | 0 | 0 | 0 | 112.5 | V151 N257 G258 | V151-D255 HydrophobicContact CB-CB 4.42Å; V151-D255 WeakPolarHBondContact CB-OD2 3.37Å; V151-D255 WeakPolarHBondContact CG1-OD2 3.06Å; D255-N257 PolarHBondContact O-N 3.1Å; D255-G258 CarbonylContact C-O 3.47Å; D255-G258 WeakPolarHBondContact CA-O 3.28Å; D255-G258 WeakPolarHBondContact CB-O 3.11Å; D255-G258 CarbonylContact O-C 3.59Å; D255-G258 PolarHBondContact O-N 2.86Å; D255-G258 VanDerWaalsContact O-O 3.05Å | ||
| 256 | I | 89.5 | Confident | 92.9 | Very high | 37 Ų | 37 | 30 Ų | 30 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.9 | -173.2 | -156.3 | -178.5 | 0 | 0 | 0 | 112.8 | V147 T157 N196 R197 D254 G258 | V147-I256 HydrophobicContact CG2-CD1 4.44Å; V147-I256 HydrophobicContact CG2-CG1 4.13Å; T157-I256 HydrophobicContact CG2-CD1 4.16Å; T157-I256 WeakPolarHBondContact OG1-CD1 3.43Å; N196-I256 PolarHBondContact ND2-O 2.85Å; R197-I256 PolarHBondContact NH1-O 3.39Å; D254-I256 WeakPolarHBondContact OD1-CG2 3.43Å; I256-G258 VanDerWaalsContact C-N 3.35Å |
| 257 | N | 92.5 | Very high | 93 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.7 | 179.9 | -70.7 | -17.3 | 0 | 0 | 0 | 112.6 | S195 N196 F225 G226 P227 T229 D255 | S195-N257 WeakPolarHBondContact CB-O 3.4Å; N196-N257 VanDerWaalsContact CB-C 3.43Å; N196-N257 VanDerWaalsContact CB-O 3.22Å; N196-N257 WeakPolarHBondContact CB-O 3.35Å; F225-N257 CarbonylContact C-O 3.57Å; F225-N257 WeakPolarHBondContact CA-O 3.07Å; G226-N257 PolarHBondContact N-O 2.69Å; G226-N257 CarbonylContact O-C 3.54Å; G226-N257 WeakPolarHBondContact O-CB 3.16Å; P227-N257 WeakPolarHBondContact O-CB 3.26Å; P227-N257 PolarHBondContact O-ND2 3.46Å; T229-N257 PolarHBondContact OG1-ND2 3.02Å; D255-N257 PolarHBondContact O-N 3.1Å |
| 258 | G | 91.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 145.3 | 163.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D255 I256 I260 | D255-G258 CarbonylContact C-O 3.47Å; D255-G258 WeakPolarHBondContact CA-O 3.28Å; D255-G258 WeakPolarHBondContact CB-O 3.11Å; D255-G258 CarbonylContact O-C 3.59Å; D255-G258 PolarHBondContact O-N 2.86Å; D255-G258 VanDerWaalsContact O-O 3.05Å; I256-G258 VanDerWaalsContact C-N 3.35Å; G258-I260 PolarHBondContact O-N 3.08Å |
| 259 | P | 91.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 26% | 0.26 | 15% | 0.145 | S | C | . | . | trans | -64.4 | 128.1 | 177.6 | 28.2 | -33.7 | 0 | 0 | 0 | 110.6 | V151 F225 T261 | V151-P259 HydrophobicContact CG2-CB 4.34Å; F225-P259 HydrophobicContact CD2-CG 3.92Å; F225-P259 HydrophobicContact CE2-CG 3.81Å; F225-P259 HydrophobicContact CZ-CG 4.33Å; P259-T261 PolarHBondContact O-N 2.9Å | ||
| 260 | I | 92.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 16% | 0.159 | 14% | 0.142 | C | C | . | . | trans | -69.4 | 124 | 167.7 | -59.7 | 168.4 | 0 | 0 | 0 | 107.4 | P228 P253 G258 Y263 A361 V363 | P228-I260 HydrophobicContact CG-CD1 4.41Å; P253-I260 HydrophobicContact CB-CD1 3.87Å; P253-I260 HydrophobicContact CG-CD1 4.44Å; G258-I260 PolarHBondContact O-N 3.08Å; I260-Y263 HydrophobicContact CD1-CE1 4.07Å; I260-Y263 VanDerWaalsContact CD1-OH 3.28Å; I260-Y263 WeakPolarHBondContact CD1-OH 3.44Å; I260-Y263 HydrophobicContact CG2-CD1 4.29Å; I260-Y263 HydrophobicContact CG2-CD2 4.36Å; I260-Y263 HydrophobicContact CG2-CE1 3.77Å; I260-Y263 HydrophobicContact CG2-CE2 3.82Å; I260-Y263 VanDerWaalsContact CG2-CZ 3.5Å; I260-A361 HydrophobicContact CD1-CB 4.5Å; I260-A361 HydrophobicContact CG2-CB 4.07Å; I260-V363 HydrophobicContact CG1-CG2 4.35Å | ||
| 261 | T | 91.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 21.5 Ų | 21.5 | 27% | 0.27 | 13% | 0.127 | S | C | . | . | trans | -83.1 | -41.8 | -176.6 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | P259 R362 D364 | P259-T261 PolarHBondContact O-N 2.9Å; T261-R362 PolarHBondContact N-O 2.82Å; T261-D364 PolarHBondContact OG1-N 2.83Å | ||
| 262 | C | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 172.3 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | F264 Y313 Y314 L336 R362 | C262-F264 WeakPolarHBondContact SG-CE2 3.39Å; C262-F264 VanDerWaalsContact SG-CZ 3.51Å; C262-Y313 CarbonylContact C-O 3.54Å; C262-Y313 WeakPolarHBondContact CA-O 3.46Å; C262-Y313 VanDerWaalsContact CB-O 3.27Å; C262-Y313 WeakPolarHBondContact CB-O 3.11Å; C262-Y314 HydrophobicContact CB-CD1 4.31Å; C262-L336 HydrophobicContact CB-CD1 3.79Å; C262-L336 HydrophobicContact CB-CD2 3.65Å; C262-L336 HydrophobicContact CB-CG 4.36Å; C262-R362 PolarHBondContact O-N 2.84Å |
| 263 | Y | 94.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.5 | 176.7 | -56.7 | -90.7 | 0 | 0 | 0 | 110.3 | V252 P253 I260 A312 Y313 L316 L359 I360 A361 | V252-Y263 WeakPolarHBondContact CG1-OH 3.3Å; P253-Y263 HydrophobicContact CG-CE1 4.1Å; I260-Y263 HydrophobicContact CD1-CE1 4.07Å; I260-Y263 VanDerWaalsContact CD1-OH 3.28Å; I260-Y263 WeakPolarHBondContact CD1-OH 3.44Å; I260-Y263 HydrophobicContact CG2-CD1 4.29Å; I260-Y263 HydrophobicContact CG2-CD2 4.36Å; I260-Y263 HydrophobicContact CG2-CE1 3.77Å; I260-Y263 HydrophobicContact CG2-CE2 3.82Å; I260-Y263 VanDerWaalsContact CG2-CZ 3.5Å; Y263-A312 CarbonylContact O-C 3.52Å; Y263-A312 VanDerWaalsContact O-CA 3.26Å; Y263-A312 WeakPolarHBondContact O-CA 3.33Å; Y263-Y313 PolarHBondContact N-O 2.59Å; Y263-Y313 PolarHBondContact O-N 2.96Å; Y263-L316 HydrophobicContact CD1-CD1 4.01Å; Y263-L316 HydrophobicContact CD2-CB 3.95Å; Y263-L316 HydrophobicContact CD2-CD1 4.27Å; Y263-L316 HydrophobicContact CE1-CB 4.42Å; Y263-L316 HydrophobicContact CE1-CD2 4.38Å; Y263-L316 HydrophobicContact CE2-CB 3.83Å; Y263-L316 HydrophobicContact CG-CB 4.31Å; Y263-L316 HydrophobicContact CG-CD1 3.84Å; Y263-L359 HydrophobicContact CD1-CD1 4.32Å; Y263-L359 HydrophobicContact CD1-CD2 4.4Å; Y263-I360 CarbonylContact C-O 3.48Å; Y263-I360 WeakPolarHBondContact CA-O 3.5Å; Y263-A361 HydrophobicContact CD1-CB 4.05Å; Y263-A361 HydrophobicContact CE1-CB 4.09Å |
| 264 | F | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.4 | 171.2 | -53.4 | -87.4 | 0 | 0 | 0 | 109.6 | C262 I309 E311 A312 L336 F338 I360 R362 Y388 | C262-F264 WeakPolarHBondContact SG-CE2 3.39Å; C262-F264 VanDerWaalsContact SG-CZ 3.51Å; F264-I309 HydrophobicContact CB-CD1 4.23Å; F264-I309 HydrophobicContact CB-CG2 4.16Å; F264-I309 HydrophobicContact CD1-CG2 4.02Å; F264-E311 CarbonylContact C-O 3.54Å; F264-E311 WeakPolarHBondContact CA-O 3.44Å; F264-A312 HydrophobicContact CD1-CB 3.7Å; F264-A312 HydrophobicContact CE1-CB 3.99Å; F264-L336 HydrophobicContact CE1-CB 4.05Å; F264-F338 HydrophobicContact CD1-CB 3.99Å; F264-F338 HydrophobicContact CD2-CB 4.49Å; F264-F338 AromaticContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CE1-CB 3.94Å; F264-F338 HydrophobicContact CE2-CB 4.46Å; F264-F338 HydrophobicContact CE2-CD2 4.05Å; F264-F338 HydrophobicContact CG-CB 4.26Å; F264-F338 HydrophobicContact CG-CD2 4.34Å; F264-F338 HydrophobicContact CZ-CB 4.18Å; F264-I360 HydrophobicContact CB-CB 4.15Å; F264-I360 HydrophobicContact CB-CD1 4.35Å; F264-I360 HydrophobicContact CD2-CB 4.46Å; F264-I360 PolarHBondContact N-O 2.66Å; F264-I360 PolarHBondContact O-N 2.89Å; F264-R362 HydrophobicContact CE2-CB 3.96Å; F264-Y388 HydrophobicContact CE2-CE1 4.22Å |
| 265 | L | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.6 | 172.4 | 178.3 | 57.6 | 0 | 0 | 0 | 108.9 | V247 F249 I267 A310 E311 Y313 T320 I322 F394 | V247-L265 HydrophobicContact CB-CD2 4.21Å; V247-L265 HydrophobicContact CG1-CD1 4.48Å; V247-L265 HydrophobicContact CG1-CD2 4.19Å; V247-L265 HydrophobicContact CG2-CD2 4.11Å; F249-L265 HydrophobicContact CZ-CD2 4.19Å; L265-I267 HydrophobicContact CG-CD1 4.35Å; L265-A310 PolarHBondContact O-N 3.48Å; L265-E311 HydrophobicContact CB-CB 4.21Å; L265-E311 PolarHBondContact N-O 3.06Å; L265-E311 PolarHBondContact O-N 3.39Å; L265-Y313 HydrophobicContact CB-CE2 4.34Å; L265-T320 HydrophobicContact CD2-CG2 3.79Å; L265-I322 HydrophobicContact CD2-CD1 3.79Å; L265-I322 HydrophobicContact CD2-CG1 3.96Å; L265-F394 HydrophobicContact CD1-CE1 4.39Å |
| 266 | A | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | F287 A307 Y308 I309 G357 F358 I360 | A266-F287 HydrophobicContact CB-CE1 3.81Å; A266-F287 HydrophobicContact CB-CZ 4.45Å; A266-A307 HydrophobicContact CB-CB 4.4Å; A266-Y308 CarbonylContact C-O 3.54Å; A266-Y308 VanDerWaalsContact CA-O 3.28Å; A266-Y308 WeakPolarHBondContact CA-O 3.48Å; A266-I309 HydrophobicContact CB-CD1 4.15Å; A266-G357 CarbonylContact O-C 3.47Å; A266-G357 WeakPolarHBondContact O-CA 3.49Å; A266-F358 HydrophobicContact CB-CD1 4.23Å; A266-F358 HydrophobicContact CB-CD2 4.12Å; A266-F358 HydrophobicContact CB-CE1 3.83Å; A266-F358 HydrophobicContact CB-CE2 3.72Å; A266-F358 HydrophobicContact CB-CG 4.38Å; A266-F358 HydrophobicContact CB-CZ 3.57Å; A266-F358 PolarHBondContact N-O 2.87Å; A266-F358 PolarHBondContact O-N 2.72Å; A266-I360 HydrophobicContact CB-CD1 4.17Å |
| 267 | I | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.2 | 179.4 | -59.4 | -65.5 | 0 | 0 | 0 | 109.7 | L265 A307 Y308 A310 I322 Y355 I356 F394 | L265-I267 HydrophobicContact CG-CD1 4.35Å; I267-A307 CarbonylContact O-C 3.52Å; I267-A307 VanDerWaalsContact O-CA 3.25Å; I267-A307 WeakPolarHBondContact O-CA 3.06Å; I267-Y308 HydrophobicContact CB-CD1 4.38Å; I267-Y308 HydrophobicContact CB-CE1 3.76Å; I267-Y308 HydrophobicContact CB-CE2 4.32Å; I267-Y308 HydrophobicContact CG2-CE1 3.78Å; I267-Y308 PolarHBondContact N-O 2.9Å; I267-Y308 WeakPolarHBondContact O-CD1 3.33Å; I267-Y308 PolarHBondContact O-N 2.84Å; I267-A310 HydrophobicContact CB-CB 4.46Å; I267-A310 HydrophobicContact CG1-CB 3.63Å; I267-I322 HydrophobicContact CD1-CG1 4.42Å; I267-I322 HydrophobicContact CG1-CG2 4.18Å; I267-Y355 HydrophobicContact CG2-CD1 4.08Å; I267-I356 CarbonylContact C-O 3.59Å; I267-I356 WeakPolarHBondContact CA-O 3.02Å; I267-F394 HydrophobicContact CD1-CE1 3.98Å; I267-F394 HydrophobicContact CD1-CZ 3.75Å |
| 268 | I | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 109.1 | 176.1 | -52.3 | 171.9 | 0 | 0 | 0 | 107.6 | M285 I305 A307 I356 F358 Y393 | I268-M285 HydrophobicContact CD1-CE 3.69Å; I268-M285 HydrophobicContact CD1-CG 4.16Å; I268-M285 HydrophobicContact CD1-SD 3.76Å; I268-M285 HydrophobicContact CG1-CE 4.01Å; I268-M285 HydrophobicContact CG2-CE 4.19Å; I268-I305 HydrophobicContact CG2-CG2 3.5Å; I268-A307 HydrophobicContact CG1-CB 3.74Å; I268-I356 HydrophobicContact CB-CG2 3.66Å; I268-I356 HydrophobicContact CD1-CG2 4.08Å; I268-I356 HydrophobicContact CG1-CG2 4.29Å; I268-I356 HydrophobicContact CG2-CG2 4.29Å; I268-I356 PolarHBondContact N-O 2.91Å; I268-I356 PolarHBondContact O-N 3.16Å; I268-F358 HydrophobicContact CD1-CE1 4.08Å; I268-F358 HydrophobicContact CG1-CE1 4.44Å; I268-Y393 HydrophobicContact CD1-CD1 4.4Å; I268-Y393 HydrophobicContact CD1-CE1 3.57Å |
| 269 | P | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.1 | 168.4 | 29.9 | -31.8 | 0 | 0 | 0 | 109.6 | M294 N297 L298 Y355 | P269-M294 HydrophobicContact CB-SD 3.53Å; P269-M294 VanDerWaalsContact CB-SD 3.53Å; P269-M294 HydrophobicContact CG-CG 4.5Å; P269-M294 HydrophobicContact CG-SD 3.64Å; P269-N297 HydrophobicContact CG-CB 4.23Å; P269-N297 WeakPolarHBondContact O-CB 3.49Å; P269-N297 PolarHBondContact O-ND2 2.8Å; P269-L298 HydrophobicContact CB-CD1 4.25Å; P269-L298 HydrophobicContact CB-CD2 3.91Å; P269-L298 HydrophobicContact CB-CG 4.15Å; P269-Y355 HydrophobicContact CB-CD1 4.12Å; P269-Y355 HydrophobicContact CB-CE1 3.81Å |
| 270 | C | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.9 | -175.9 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | V274 K354 | C270-V274 HydrophobicContact CB-CB 4.08Å; C270-V274 HydrophobicContact CB-CG1 4.48Å; C270-V274 HydrophobicContact CB-CG2 4.06Å; C270-K354 WeakPolarHBondContact CA-O 3.44Å; C270-K354 HydrophobicContact CB-CB 4.37Å; C270-K354 WeakPolarHBondContact CB-O 3.12Å; C270-K354 PolarHBondContact N-O 2.91Å; C270-K354 PolarHBondContact O-N 3.45Å |
| 271 | T | 88.9 | Confident | 89.4 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | trans | -67.7 | 160 | 165.5 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | N273 V274 Y353 | T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 VanDerWaalsContact O-N 3.1Å; T271-V274 PolarHBondContact O-N 2.78Å; T271-Y353 HydrophobicContact CG2-CE1 4.33Å | ||
| 272 | L | 84.1 | Confident | 89.6 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 29% | 0.293 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.6 | 179.3 | -73 | 174 | 0 | 0 | 0 | 113.5 | K354 Y398 | L272-K354 HydrophobicContact CD2-CD 4.33Å; L272-K354 HydrophobicContact CD2-CG 4.02Å; L272-K354 PolarHBondContact O-NZ 2.91Å; L272-Y398 HydrophobicContact CD2-CD2 3.68Å; L272-Y398 HydrophobicContact CD2-CE2 3.42Å; L272-Y398 VanDerWaalsContact CD2-CE2 3.42Å; L272-Y398 HydrophobicContact CG-CE2 4.3Å |
| 273 | N | 81.4 | Confident | 89.8 | Confident | 154 Ų | 154 | 41.8 Ų | 41.8 | 82% | 0.824 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.3 | -174 | -63.5 | -21.9 | 0 | 0 | 0 | 113.9 | T271 N275 | T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 VanDerWaalsContact O-N 3.1Å; N273-N275 PolarHBondContact O-N 2.66Å |
| 274 | V | 79.3 | Confident | 89.8 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | trans | -64.8 | 122.1 | 179 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | C270 T271 L279 I305 | C270-V274 HydrophobicContact CB-CB 4.08Å; C270-V274 HydrophobicContact CB-CG1 4.48Å; C270-V274 HydrophobicContact CB-CG2 4.06Å; T271-V274 PolarHBondContact O-N 2.78Å; V274-L279 HydrophobicContact CG1-CD2 4.49Å; V274-I305 HydrophobicContact CG1-CD1 4.11Å | ||
| 275 | N | 79.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 50 Ų | 50 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | trans | -83 | 117.1 | 171.9 | -174.8 | -2.9 | 0 | 0 | 0 | 110 | N273 S277 Q278 | N273-N275 PolarHBondContact O-N 2.66Å; N275-S277 VanDerWaalsContact CG-OG 3.27Å; N275-S277 PolarHBondContact ND2-OG 2.86Å; N275-S277 VanDerWaalsContact ND2-OG 3.11Å; N275-S277 PolarHBondContact O-N 2.95Å; N275-S277 PolarHBondContact OD1-N 2.9Å; N275-S277 VanDerWaalsContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 2.79Å; N275-Q278 HydrophobicContact CB-CG 4.16Å; N275-Q278 WeakPolarHBondContact O-CB 3.29Å; N275-Q278 PolarHBondContact O-N 2.77Å | ||
| 276 | F | 77.7 | Confident | 89.6 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 26% | 0.263 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.3 | -178.5 | -56.9 | -70 | 0 | 0 | 0 | 114 | Q278 L279 K354 I356 P396 | F276-Q278 PolarHBondContact O-N 2.9Å; F276-L279 HydrophobicContact CD1-CD1 4.13Å; F276-L279 PolarHBondContact O-N 2.76Å; F276-K354 HydrophobicContact CE2-CD 4.16Å; F276-K354 HydrophobicContact CZ-CB 4.34Å; F276-K354 HydrophobicContact CZ-CD 3.62Å; F276-I356 HydrophobicContact CD1-CD1 3.77Å; F276-I356 HydrophobicContact CE1-CD1 4.24Å; F276-P396 HydrophobicContact CD1-CG 3.78Å; F276-P396 HydrophobicContact CD2-CG 3.81Å; F276-P396 HydrophobicContact CE1-CB 3.79Å; F276-P396 HydrophobicContact CE1-CG 3.37Å; F276-P396 HydrophobicContact CE2-CB 4Å; F276-P396 HydrophobicContact CE2-CG 3.41Å; F276-P396 VanDerWaalsContact CE2-CG 3.41Å; F276-P396 HydrophobicContact CG-CG 3.98Å; F276-P396 HydrophobicContact CZ-CB 3.41Å; F276-P396 VanDerWaalsContact CZ-CB 3.41Å; F276-P396 HydrophobicContact CZ-CG 3.17Å |
| 277 | S | 79.8 | Confident | 89.5 | Confident | 98 Ų | 98 | 55 Ų | 55 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -69.5 | -10.9 | 176.2 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | N275 | N275-S277 VanDerWaalsContact CG-OG 3.27Å; N275-S277 PolarHBondContact ND2-OG 2.86Å; N275-S277 VanDerWaalsContact ND2-OG 3.11Å; N275-S277 PolarHBondContact O-N 2.95Å; N275-S277 PolarHBondContact OD1-N 2.9Å; N275-S277 VanDerWaalsContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 2.79Å |
| 278 | Q | 84 | Confident | 89.4 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -95.9 | -6.7 | 177 | -61.4 | 178.6 | -23.1 | 0 | 0 | 113.1 | N275 F276 | N275-Q278 HydrophobicContact CB-CG 4.16Å; N275-Q278 WeakPolarHBondContact O-CB 3.29Å; N275-Q278 PolarHBondContact O-N 2.77Å; F276-Q278 PolarHBondContact O-N 2.9Å |
| 279 | L | 88.6 | Confident | 89.3 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -67.3 | 138.9 | 174.2 | -67.2 | 176.7 | 0 | 0 | 0 | 109.6 | V274 F276 I305 I356 Y393 | V274-L279 HydrophobicContact CG1-CD2 4.49Å; F276-L279 HydrophobicContact CD1-CD1 4.13Å; F276-L279 PolarHBondContact O-N 2.76Å; L279-I305 HydrophobicContact CD2-CD1 3.75Å; L279-I305 HydrophobicContact CD2-CG2 4.36Å; L279-I356 HydrophobicContact CD1-CD1 4.28Å; L279-I356 HydrophobicContact CD1-CG2 4.05Å; L279-Y393 HydrophobicContact CB-CE2 4.2Å |
| 280 | P | 92.5 | Very high | 89.3 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 161.3 | 171.6 | 29.3 | -35.1 | 0 | 0 | 0 | 109.8 | M285 Y393 | P280-M285 HydrophobicContact CG-SD 3.77Å; P280-Y393 WeakPolarHBondContact O-CE2 3.36Å; P280-Y393 PolarHBondContact O-OH 2.9Å |
| 281 | P | 94.7 | Very high | 89.4 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 148.3 | 169.4 | -21.4 | 31.7 | 0 | 0 | 0 | 111.1 | A283 Y284 M285 | P281-A283 PolarHBondContact O-N 2.96Å; P281-Y284 HydrophobicContact CB-CD2 3.97Å; P281-Y284 HydrophobicContact CG-CD2 3.95Å; P281-Y284 HydrophobicContact CG-CE2 4.43Å; P281-Y284 PolarHBondContact O-N 2.03Å; P281-M285 PolarHBondContact O-N 3.02Å |
| 282 | P | 96.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -49.8 | -36.1 | -177.2 | -33.2 | 38 | 0 | 0 | 0 | 115.5 | Y284 M285 F358 F390 S391 Y393 | P282-Y284 PolarHBondContact O-N 3.07Å; P282-M285 WeakPolarHBondContact O-CB 3.37Å; P282-M285 PolarHBondContact O-N 3.36Å; P282-F358 HydrophobicContact CB-CB 4.48Å; P282-F358 HydrophobicContact CB-CD1 4.24Å; P282-F358 HydrophobicContact CB-CD2 3.74Å; P282-F358 HydrophobicContact CB-CE1 4.4Å; P282-F358 HydrophobicContact CB-CE2 3.91Å; P282-F358 HydrophobicContact CB-CG 3.9Å; P282-F358 HydrophobicContact CB-CZ 4.23Å; P282-F358 HydrophobicContact CG-CB 4.46Å; P282-F358 HydrophobicContact CG-CD1 4.47Å; P282-F358 HydrophobicContact CG-CG 4.27Å; P282-F390 HydrophobicContact CB-CB 3.9Å; P282-F390 HydrophobicContact CB-CD1 4.27Å; P282-F390 HydrophobicContact CB-CG 4.36Å; P282-S391 WeakPolarHBondContact CG-O 3.25Å; P282-Y393 HydrophobicContact CG-CD1 4.3Å; P282-Y393 HydrophobicContact CG-CD2 4.13Å; P282-Y393 HydrophobicContact CG-CE1 3.94Å; P282-Y393 HydrophobicContact CG-CE2 3.76Å; P282-Y393 HydrophobicContact CG-CG 4.38Å |
| 283 | A | 95 | Very high | 90 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -65.8 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P281 F390 | P281-A283 PolarHBondContact O-N 2.96Å; A283-F390 HydrophobicContact CB-CD2 3.77Å; A283-F390 HydrophobicContact CB-CE2 3.88Å; A283-F390 HydrophobicContact CB-CG 4.32Å; A283-F390 HydrophobicContact CB-CZ 4.49Å |
| 284 | Y | 95.3 | Very high | 90.5 | Very high | 177 Ų | 177 | 60.4 Ų | 60.4 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -113.5 | 10.8 | 179.1 | -57.1 | -68.4 | 0 | 0 | 0 | 112.4 | P281 P282 | P281-Y284 HydrophobicContact CB-CD2 3.97Å; P281-Y284 HydrophobicContact CG-CD2 3.95Å; P281-Y284 HydrophobicContact CG-CE2 4.43Å; P281-Y284 PolarHBondContact O-N 2.03Å; P282-Y284 PolarHBondContact O-N 3.07Å |
| 285 | M | 94.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | trans | -68.8 | 138.4 | 178.8 | -166.6 | 62 | -158.7 | 0 | 0 | 110.6 | I268 P280 P281 P282 F287 I305 A307 F358 | I268-M285 HydrophobicContact CD1-CE 3.69Å; I268-M285 HydrophobicContact CD1-CG 4.16Å; I268-M285 HydrophobicContact CD1-SD 3.76Å; I268-M285 HydrophobicContact CG1-CE 4.01Å; I268-M285 HydrophobicContact CG2-CE 4.19Å; P280-M285 HydrophobicContact CG-SD 3.77Å; P281-M285 PolarHBondContact O-N 3.02Å; P282-M285 WeakPolarHBondContact O-CB 3.37Å; P282-M285 PolarHBondContact O-N 3.36Å; M285-F287 HydrophobicContact CB-CE2 4.22Å; M285-F287 WeakPolarHBondContact O-CD2 3.33Å; M285-F287 VanDerWaalsContact O-CE2 3.26Å; M285-F287 WeakPolarHBondContact O-CE2 3.03Å; M285-I305 VanDerWaalsContact CE-C 3.49Å; M285-I305 HydrophobicContact CE-CB 4.09Å; M285-I305 HydrophobicContact CE-CG2 3.73Å; M285-I305 WeakPolarHBondContact CE-O 3.38Å; M285-A307 HydrophobicContact CE-CB 4.31Å; M285-A307 HydrophobicContact CG-CB 3.76Å; M285-F358 HydrophobicContact CB-CE1 4.4Å; M285-F358 HydrophobicContact CB-CZ 4.03Å; M285-F358 HydrophobicContact CG-CE1 4.22Å; M285-F358 HydrophobicContact CG-CZ 4.2Å | ||
| 286 | N | 94.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 144.4 | 171.7 | -65.7 | -62.3 | 0 | 0 | 0 | 109.9 | P304 F306 A307 | N286-P304 WeakPolarHBondContact ND2-CB 3.05Å; N286-F306 HydrophobicContact CB-CD1 3.72Å; N286-F306 HydrophobicContact CB-CE1 3.93Å; N286-F306 CarbonylContact O-C 3.37Å; N286-F306 WeakPolarHBondContact O-CA 3.33Å; N286-A307 PolarHBondContact O-N 3.03Å |
| 287 | F | 95.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.2 | -179.9 | -69.6 | -96.8 | 0 | 0 | 0 | 111.1 | A266 M285 A307 I309 F338 F342 F358 I360 | A266-F287 HydrophobicContact CB-CE1 3.81Å; A266-F287 HydrophobicContact CB-CZ 4.45Å; M285-F287 HydrophobicContact CB-CE2 4.22Å; M285-F287 WeakPolarHBondContact O-CD2 3.33Å; M285-F287 VanDerWaalsContact O-CE2 3.26Å; M285-F287 WeakPolarHBondContact O-CE2 3.03Å; F287-A307 CarbonylContact C-O 3.48Å; F287-A307 VanDerWaalsContact CA-O 3.22Å; F287-A307 WeakPolarHBondContact CA-O 3.23Å; F287-A307 HydrophobicContact CD1-CB 3.93Å; F287-A307 HydrophobicContact CE1-CB 3.91Å; F287-I309 HydrophobicContact CD1-CD1 3.82Å; F287-I309 HydrophobicContact CD1-CG1 4.43Å; F287-I309 HydrophobicContact CE1-CD1 3.59Å; F287-F338 HydrophobicContact CD1-CD1 4.07Å; F287-F338 AromaticContact CD1-CE1 3.86Å; F287-F338 HydrophobicContact CD1-CE1 3.86Å; F287-F338 AromaticContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CE1-CD1 4.17Å; F287-F338 AromaticContact CE1-CE1 3.74Å; F287-F338 HydrophobicContact CE1-CE1 3.74Å; F287-F338 AromaticContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CZ 4.04Å; F287-F338 HydrophobicContact CG-CD1 4.25Å; F287-F338 AromaticContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CZ-CD1 4.45Å; F287-F338 AromaticContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CZ 4.01Å; F287-F342 HydrophobicContact CB-CD1 4.35Å; F287-F342 HydrophobicContact CB-CD2 3.9Å; F287-F342 HydrophobicContact CB-CE1 4.11Å; F287-F342 HydrophobicContact CB-CE2 3.61Å; F287-F342 HydrophobicContact CB-CG 4.25Å; F287-F342 HydrophobicContact CB-CZ 3.72Å; F287-F342 WeakPolarHBondContact O-CE1 3.35Å; F287-F342 VanDerWaalsContact O-CZ 3.27Å; F287-F342 WeakPolarHBondContact O-CZ 3.46Å; F287-F358 HydrophobicContact CE1-CZ 4.18Å; F287-F358 AromaticContact CZ-CE2 3.96Å; F287-F358 HydrophobicContact CZ-CE2 3.96Å; F287-F358 AromaticContact CZ-CZ 3.68Å; F287-F358 HydrophobicContact CZ-CZ 3.68Å; F287-I360 HydrophobicContact CE1-CD1 4.05Å; F287-I360 HydrophobicContact CZ-CD1 3.83Å |
| 288 | D | 94.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -144.7 | 176.4 | 169.7 | -146.7 | -23.4 | 0 | 0 | 0 | 110.9 | R292 F306 A307 Y308 | D288-R292 HydrophobicContact CB-CB 4.3Å; D288-R292 IonicContact OD1-CZ 2.56Å; D288-R292 IonicContact OD1-NE 3.99Å; D288-R292 PolarHBondContact OD1-NE 2.99Å; D288-R292 IonicContact OD1-NH2 3.93Å; D288-R292 PolarHBondContact OD1-NH2 2.86Å; D288-R292 WeakPolarHBondContact OD2-CB 3.31Å; D288-R292 IonicContact OD2-CZ 3.07Å; D288-R292 IonicContact OD2-NE 2.91Å; D288-R292 PolarHBondContact OD2-NE 3.29Å; D288-R292 IonicContact OD2-NH2 3.2Å; D288-F306 HydrophobicContact CB-CB 4.13Å; D288-F306 HydrophobicContact CB-CD1 3.84Å; D288-F306 HydrophobicContact CB-CE1 4.49Å; D288-F306 HydrophobicContact CB-CG 4.06Å; D288-A307 PolarHBondContact N-O 3.43Å; D288-Y308 WeakPolarHBondContact O-CA 2.99Å; D288-Y308 WeakPolarHBondContact O-CB 2.92Å | ||
| 289 | V | 94 | Very high | 92.3 | Very high | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | trans | -67.8 | 153.4 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | E291 R292 A293 | V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 2.96Å; V289-R292 HydrophobicContact CG2-CB 3.96Å; V289-R292 HydrophobicContact CG2-CG 3.86Å; V289-R292 PolarHBondContact O-N 3.48Å; V289-R292 VanDerWaalsContact O-N 3.13Å; V289-A293 PolarHBondContact O-N 3.46Å | ||
| 290 | Y | 93.9 | Very high | 91.4 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -49.4 | -50.6 | -175.2 | 160.6 | -95.6 | 0 | 0 | 0 | 112.4 | R292 A293 M294 Y308 E348 | Y290-R292 VanDerWaalsContact C-N 3.3Å; Y290-R292 PolarHBondContact O-N 2.89Å; Y290-A293 PolarHBondContact O-N 2.98Å; Y290-M294 HydrophobicContact CD2-CG 3.88Å; Y290-M294 HydrophobicContact CE1-CG 4.44Å; Y290-M294 HydrophobicContact CE2-CG 3.54Å; Y290-M294 HydrophobicContact CE2-SD 4.11Å; Y290-M294 HydrophobicContact CG-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CG 3.2Å; Y290-M294 PolarHBondContact O-N 2.96Å; Y290-Y308 HydrophobicContact CD2-CD1 4.44Å; Y290-Y308 HydrophobicContact CD2-CD2 4.23Å; Y290-Y308 HydrophobicContact CD2-CE1 4.05Å; Y290-Y308 AromaticContact CD2-CE2 3.87Å; Y290-Y308 HydrophobicContact CD2-CE2 3.87Å; Y290-Y308 AromaticContact CD2-CZ 3.76Å; Y290-E348 PolarHBondContact OH-O 3.16Å |
| 291 | E | 92.7 | Very high | 90.1 | Very high | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | -175.5 | -61.8 | 79.3 | -173.4 | 0 | 0 | 111.7 | V289 Q295 | V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 2.96Å; E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 PolarHBondContact O-N 2.96Å |
| 292 | R | 92.5 | Very high | 88.5 | Confident | 146 Ų | 146 | 66.2 Ų | 66.2 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -74.5 | -37.8 | 178.3 | -71.7 | -159.3 | -67.2 | -125.4 | -4.6 | 112 | D288 V289 Y290 S296 | D288-R292 HydrophobicContact CB-CB 4.3Å; D288-R292 IonicContact OD1-CZ 2.56Å; D288-R292 IonicContact OD1-NE 3.99Å; D288-R292 PolarHBondContact OD1-NE 2.99Å; D288-R292 IonicContact OD1-NH2 3.93Å; D288-R292 PolarHBondContact OD1-NH2 2.86Å; D288-R292 WeakPolarHBondContact OD2-CB 3.31Å; D288-R292 IonicContact OD2-CZ 3.07Å; D288-R292 IonicContact OD2-NE 2.91Å; D288-R292 PolarHBondContact OD2-NE 3.29Å; D288-R292 IonicContact OD2-NH2 3.2Å; V289-R292 HydrophobicContact CG2-CB 3.96Å; V289-R292 HydrophobicContact CG2-CG 3.86Å; V289-R292 PolarHBondContact O-N 3.48Å; V289-R292 VanDerWaalsContact O-N 3.13Å; Y290-R292 VanDerWaalsContact C-N 3.3Å; Y290-R292 PolarHBondContact O-N 2.89Å; R292-S296 WeakPolarHBondContact O-CA 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.35Å; R292-S296 PolarHBondContact O-N 2.88Å |
| 293 | A | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V289 Y290 N297 F306 Y308 | V289-A293 PolarHBondContact O-N 3.46Å; Y290-A293 PolarHBondContact O-N 2.98Å; A293-N297 WeakPolarHBondContact O-CB 3.34Å; A293-N297 PolarHBondContact O-N 3.42Å; A293-F306 HydrophobicContact CB-CB 4.13Å; A293-Y308 HydrophobicContact CB-CD1 3.99Å; A293-Y308 HydrophobicContact CB-CG 4.48Å |
| 294 | M | 93 | Very high | 86.6 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -52.5 | 175 | -67.2 | -65.8 | -74.8 | 0 | 0 | 111.3 | P269 Y290 S296 L298 E350 Y355 | P269-M294 HydrophobicContact CB-SD 3.53Å; P269-M294 VanDerWaalsContact CB-SD 3.53Å; P269-M294 HydrophobicContact CG-CG 4.5Å; P269-M294 HydrophobicContact CG-SD 3.64Å; Y290-M294 HydrophobicContact CD2-CG 3.88Å; Y290-M294 HydrophobicContact CE1-CG 4.44Å; Y290-M294 HydrophobicContact CE2-CG 3.54Å; Y290-M294 HydrophobicContact CE2-SD 4.11Å; Y290-M294 HydrophobicContact CG-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CG 3.2Å; Y290-M294 PolarHBondContact O-N 2.96Å; M294-S296 PolarHBondContact O-N 3.01Å; M294-L298 HydrophobicContact CE-CD1 3.64Å; M294-L298 WeakPolarHBondContact O-CB 3.47Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.43Å; M294-L298 HydrophobicContact SD-CD1 4.1Å; M294-E350 HydrophobicContact CE-CB 4.18Å; M294-E350 HydrophobicContact CE-CG 3.77Å; M294-Y355 HydrophobicContact CE-CE1 4.49Å; M294-Y355 HydrophobicContact SD-CE1 4.32Å |
| 295 | Q | 90.9 | Very high | 86.3 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | -179.1 | -174.8 | 64 | 29 | 0 | 0 | 112 | E291 H299 V300 | E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 PolarHBondContact O-N 2.96Å; Q295-H299 VanDerWaalsContact O-CB 3.31Å; Q295-H299 WeakPolarHBondContact O-CB 3.39Å; Q295-H299 PolarHBondContact O-N 2.84Å; Q295-H299 VanDerWaalsContact O-N 3.13Å; Q295-V300 PolarHBondContact O-N 2.72Å |
| 296 | S | 89.3 | Confident | 86.3 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -55.4 | -178.4 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | R292 M294 L298 V300 | R292-S296 WeakPolarHBondContact O-CA 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.35Å; R292-S296 PolarHBondContact O-N 2.88Å; M294-S296 PolarHBondContact O-N 3.01Å; S296-L298 PolarHBondContact O-N 3.31Å; S296-V300 CarbonylContact O-C 3.57Å; S296-V300 WeakPolarHBondContact O-CA 3.44Å; S296-V300 WeakPolarHBondContact O-CB 3.01Å; S296-V300 PolarHBondContact O-N 3.34Å |
| 297 | N | 91.7 | Very high | 86.4 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.7 | -30.6 | -170.7 | -61.5 | -4.3 | 0 | 0 | 0 | 113.9 | P269 A293 I305 F306 | P269-N297 HydrophobicContact CG-CB 4.23Å; P269-N297 WeakPolarHBondContact O-CB 3.49Å; P269-N297 PolarHBondContact O-ND2 2.8Å; A293-N297 WeakPolarHBondContact O-CB 3.34Å; A293-N297 PolarHBondContact O-N 3.42Å; N297-I305 WeakPolarHBondContact ND2-CG2 3.35Å; N297-F306 PolarHBondContact ND2-O 3.49Å; N297-F306 PolarHBondContact OD1-N 2.85Å |
| 298 | L | 87.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -95.6 | -30.2 | -173.2 | -55.4 | -173.7 | 0 | 0 | 0 | 113.2 | P269 M294 S296 Y353 | P269-L298 HydrophobicContact CB-CD1 4.25Å; P269-L298 HydrophobicContact CB-CD2 3.91Å; P269-L298 HydrophobicContact CB-CG 4.15Å; M294-L298 HydrophobicContact CE-CD1 3.64Å; M294-L298 WeakPolarHBondContact O-CB 3.47Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.43Å; M294-L298 HydrophobicContact SD-CD1 4.1Å; S296-L298 PolarHBondContact O-N 3.31Å; L298-Y353 HydrophobicContact CB-CD1 4.39Å; L298-Y353 HydrophobicContact CB-CE1 3.89Å; L298-Y353 HydrophobicContact CD1-CD1 4.14Å; L298-Y353 HydrophobicContact CD1-CD2 3.81Å; L298-Y353 HydrophobicContact CD1-CE1 4.22Å; L298-Y353 HydrophobicContact CD1-CE2 3.91Å; L298-Y353 HydrophobicContact CD1-CG 3.91Å; L298-Y353 HydrophobicContact CD2-CD1 3.44Å; L298-Y353 VanDerWaalsContact CD2-CD1 3.44Å; L298-Y353 HydrophobicContact CD2-CE1 3.82Å; L298-Y353 HydrophobicContact CD2-CG 3.84Å; L298-Y353 HydrophobicContact CG-CD1 4.18Å; L298-Y353 HydrophobicContact CG-CE1 4.18Å; L298-Y353 HydrophobicContact CG-CG 4.42Å |
| 299 | H | 79 | Confident | 86.4 | Confident | 94 Ų | 94 | 61.3 Ų | 61.3 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -116.1 | -19.3 | -172.8 | -56.7 | 93.6 | 0 | 0 | 0 | 113.7 | Q295 E350 | Q295-H299 VanDerWaalsContact O-CB 3.31Å; Q295-H299 WeakPolarHBondContact O-CB 3.39Å; Q295-H299 PolarHBondContact O-N 2.84Å; Q295-H299 VanDerWaalsContact O-N 3.13Å; H299-E350 IonicContact CE1-OE2 2.81Å |
| 300 | V | 69.6 | Low | 86.5 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 35% | 0.345 | 28% | 0.284 | S | S | . | . | trans | -120.8 | 107.2 | -177.3 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | Q295 S296 F302 | Q295-V300 PolarHBondContact O-N 2.72Å; S296-V300 CarbonylContact O-C 3.57Å; S296-V300 WeakPolarHBondContact O-CA 3.44Å; S296-V300 WeakPolarHBondContact O-CB 3.01Å; S296-V300 PolarHBondContact O-N 3.34Å; V300-F302 HydrophobicContact CG1-CB 4.3Å; V300-F302 HydrophobicContact CG1-CD2 3.63Å; V300-F302 HydrophobicContact CG1-CE2 4.49Å; V300-F302 HydrophobicContact CG1-CG 4.43Å; V300-F302 PolarHBondContact O-N 3.38Å | ||
| 301 | I | 64.5 | Low | 86.5 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 89% | 0.892 | 28% | 0.278 | S | S | * | . | trans | -71.4 | 14.8 | -172.1 | -52 | 171.5 | 0 | 0 | 0 | 113.5 | ||||
| 302 | F | 60.9 | Low | 86.5 | Confident | 167 Ų | 167 | 52.5 Ų | 52.5 | 73% | 0.732 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 132.7 | 177.4 | -68.4 | -65 | 0 | 0 | 0 | 111.8 | V300 | V300-F302 HydrophobicContact CG1-CB 4.3Å; V300-F302 HydrophobicContact CG1-CD2 3.63Å; V300-F302 HydrophobicContact CG1-CE2 4.49Å; V300-F302 HydrophobicContact CG1-CG 4.43Å; V300-F302 PolarHBondContact O-N 3.38Å |
| 303 | Q | 70.4 | Confident | 86.5 | Confident | 148 Ų | 148 | 45.7 Ų | 45.7 | 69% | 0.692 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -69.1 | 146.9 | 159.1 | -71.6 | -154.3 | -11.4 | 0 | 0 | 109.8 | ||
| 304 | P | 82 | Confident | 86.3 | Confident | 58 Ų | 58 | 49 Ų | 49 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | cis | -83.7 | 151.7 | 11.1 | 31.1 | -33.2 | 0 | 0 | 0 | 114.9 | N286 F306 | N286-P304 WeakPolarHBondContact ND2-CB 3.05Å; P304-F306 HydrophobicContact CG-CE1 4.19Å; P304-F306 HydrophobicContact CG-CE2 4.12Å; P304-F306 HydrophobicContact CG-CZ 3.68Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.38Å |
| 305 | I | 88.9 | Confident | 86.1 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 140.7 | 166.3 | -62.1 | 174.7 | 0 | 0 | 0 | 108 | I268 V274 L279 M285 N297 | I268-I305 HydrophobicContact CG2-CG2 3.5Å; V274-I305 HydrophobicContact CG1-CD1 4.11Å; L279-I305 HydrophobicContact CD2-CD1 3.75Å; L279-I305 HydrophobicContact CD2-CG2 4.36Å; M285-I305 VanDerWaalsContact CE-C 3.49Å; M285-I305 HydrophobicContact CE-CB 4.09Å; M285-I305 HydrophobicContact CE-CG2 3.73Å; M285-I305 WeakPolarHBondContact CE-O 3.38Å; N297-I305 WeakPolarHBondContact ND2-CG2 3.35Å |
| 306 | F | 93.6 | Very high | 86.2 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.4 | 179.8 | -62.8 | -84.1 | 0 | 0 | 0 | 112.6 | N286 D288 A293 N297 P304 | N286-F306 HydrophobicContact CB-CD1 3.72Å; N286-F306 HydrophobicContact CB-CE1 3.93Å; N286-F306 CarbonylContact O-C 3.37Å; N286-F306 WeakPolarHBondContact O-CA 3.33Å; D288-F306 HydrophobicContact CB-CB 4.13Å; D288-F306 HydrophobicContact CB-CD1 3.84Å; D288-F306 HydrophobicContact CB-CE1 4.49Å; D288-F306 HydrophobicContact CB-CG 4.06Å; A293-F306 HydrophobicContact CB-CB 4.13Å; N297-F306 PolarHBondContact ND2-O 3.49Å; N297-F306 PolarHBondContact OD1-N 2.85Å; P304-F306 HydrophobicContact CG-CE1 4.19Å; P304-F306 HydrophobicContact CG-CE2 4.12Å; P304-F306 HydrophobicContact CG-CZ 3.68Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.38Å |
| 307 | A | 96.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 155.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A266 I267 I268 M285 N286 F287 D288 F358 | A266-A307 HydrophobicContact CB-CB 4.4Å; I267-A307 CarbonylContact O-C 3.52Å; I267-A307 VanDerWaalsContact O-CA 3.25Å; I267-A307 WeakPolarHBondContact O-CA 3.06Å; I268-A307 HydrophobicContact CG1-CB 3.74Å; M285-A307 HydrophobicContact CE-CB 4.31Å; M285-A307 HydrophobicContact CG-CB 3.76Å; N286-A307 PolarHBondContact O-N 3.03Å; F287-A307 CarbonylContact C-O 3.48Å; F287-A307 VanDerWaalsContact CA-O 3.22Å; F287-A307 WeakPolarHBondContact CA-O 3.23Å; F287-A307 HydrophobicContact CD1-CB 3.93Å; F287-A307 HydrophobicContact CE1-CB 3.91Å; D288-A307 PolarHBondContact N-O 3.43Å; A307-F358 HydrophobicContact CB-CE1 4.41Å; A307-F358 HydrophobicContact CB-CZ 4.48Å |
| 308 | Y | 96.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 159.3 | 162.9 | 70.9 | -86.9 | 0 | 0 | 0 | 109.5 | A266 I267 D288 Y290 A293 A310 Q345 L349 | A266-Y308 CarbonylContact C-O 3.54Å; A266-Y308 VanDerWaalsContact CA-O 3.28Å; A266-Y308 WeakPolarHBondContact CA-O 3.48Å; I267-Y308 HydrophobicContact CB-CD1 4.38Å; I267-Y308 HydrophobicContact CB-CE1 3.76Å; I267-Y308 HydrophobicContact CB-CE2 4.32Å; I267-Y308 HydrophobicContact CG2-CE1 3.78Å; I267-Y308 PolarHBondContact N-O 2.9Å; I267-Y308 WeakPolarHBondContact O-CD1 3.33Å; I267-Y308 PolarHBondContact O-N 2.84Å; D288-Y308 WeakPolarHBondContact O-CA 2.99Å; D288-Y308 WeakPolarHBondContact O-CB 2.92Å; Y290-Y308 HydrophobicContact CD2-CD1 4.44Å; Y290-Y308 HydrophobicContact CD2-CD2 4.23Å; Y290-Y308 HydrophobicContact CD2-CE1 4.05Å; Y290-Y308 AromaticContact CD2-CE2 3.87Å; Y290-Y308 HydrophobicContact CD2-CE2 3.87Å; Y290-Y308 AromaticContact CD2-CZ 3.76Å; A293-Y308 HydrophobicContact CB-CD1 3.99Å; A293-Y308 HydrophobicContact CB-CG 4.48Å; Y308-A310 HydrophobicContact CD2-CB 4.35Å; Y308-A310 HydrophobicContact CE2-CB 3.66Å; Y308-A310 PolarHBondContact O-N 3.22Å; Y308-Q345 VanDerWaalsContact CE2-O 3.23Å; Y308-Q345 WeakPolarHBondContact CE2-O 3.21Å; Y308-L349 WeakPolarHBondContact OH-CD2 3.5Å |
| 309 | I | 95.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 111.2 | 173.2 | -56.1 | -55.2 | 0 | 0 | 0 | 107.4 | F264 A266 F287 E311 F338 F342 P344 Q345 I360 | F264-I309 HydrophobicContact CB-CD1 4.23Å; F264-I309 HydrophobicContact CB-CG2 4.16Å; F264-I309 HydrophobicContact CD1-CG2 4.02Å; A266-I309 HydrophobicContact CB-CD1 4.15Å; F287-I309 HydrophobicContact CD1-CD1 3.82Å; F287-I309 HydrophobicContact CD1-CG1 4.43Å; F287-I309 HydrophobicContact CE1-CD1 3.59Å; I309-E311 WeakPolarHBondContact CG2-O 3.11Å; I309-F338 HydrophobicContact CD1-CB 4.09Å; I309-F338 HydrophobicContact CD1-CD1 3.81Å; I309-F338 HydrophobicContact CD1-CE1 4.5Å; I309-F338 HydrophobicContact CD1-CG 4.01Å; I309-F338 HydrophobicContact CG1-CB 3.8Å; I309-F338 HydrophobicContact CG1-CD1 4.09Å; I309-F338 HydrophobicContact CG1-CG 4.22Å; I309-F342 HydrophobicContact CG1-CB 4.06Å; I309-P344 HydrophobicContact CG2-CB 4.16Å; I309-P344 CarbonylContact O-C 3.6Å; I309-P344 WeakPolarHBondContact O-CA 3.35Å; I309-Q345 PolarHBondContact O-N 2.88Å; I309-I360 HydrophobicContact CD1-CD1 4.2Å |
| 310 | A | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L265 I267 Y308 I322 Q345 D346 | L265-A310 PolarHBondContact O-N 3.48Å; I267-A310 HydrophobicContact CB-CB 4.46Å; I267-A310 HydrophobicContact CG1-CB 3.63Å; Y308-A310 HydrophobicContact CD2-CB 4.35Å; Y308-A310 HydrophobicContact CE2-CB 3.66Å; Y308-A310 PolarHBondContact O-N 3.22Å; A310-I322 HydrophobicContact CB-CD1 3.73Å; A310-I322 HydrophobicContact CB-CG1 4.34Å; A310-I322 HydrophobicContact CB-CG2 4.04Å; A310-Q345 CarbonylContact O-C 3.43Å; A310-Q345 PolarHBondContact O-N 2.85Å; A310-D346 PolarHBondContact O-N 3.05Å |
| 311 | E | 94 | Very high | 88.8 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156.7 | -172.5 | -75.9 | -75.4 | -153.8 | 0 | 0 | 113.1 | F264 L265 I309 Y313 I322 V328 | F264-E311 CarbonylContact C-O 3.54Å; F264-E311 WeakPolarHBondContact CA-O 3.44Å; L265-E311 HydrophobicContact CB-CB 4.21Å; L265-E311 PolarHBondContact N-O 3.06Å; L265-E311 PolarHBondContact O-N 3.39Å; I309-E311 WeakPolarHBondContact CG2-O 3.11Å; E311-Y313 HydrophobicContact CB-CE1 4.26Å; E311-Y313 HydrophobicContact CB-CE2 3.78Å; E311-Y313 VanDerWaalsContact CB-CZ 3.48Å; E311-Y313 WeakPolarHBondContact CB-OH 3.28Å; E311-Y313 WeakPolarHBondContact CG-OH 3.16Å; E311-I322 HydrophobicContact CB-CD1 4.34Å; E311-I322 HydrophobicContact CG-CD1 3.51Å; E311-V328 WeakPolarHBondContact OE1-CG2 3.38Å; E311-V328 PolarHBondContact OE1-N 2.82Å; E311-V328 VanDerWaalsContact OE1-N 3.09Å; E311-V328 PolarHBondContact OE2-N 3.47Å |
| 312 | A | 93.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 137.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y263 F264 L336 P344 | Y263-A312 CarbonylContact O-C 3.52Å; Y263-A312 VanDerWaalsContact O-CA 3.26Å; Y263-A312 WeakPolarHBondContact O-CA 3.33Å; F264-A312 HydrophobicContact CD1-CB 3.7Å; F264-A312 HydrophobicContact CE1-CB 3.99Å; A312-L336 HydrophobicContact CB-CB 3.74Å; A312-L336 HydrophobicContact CB-CD1 3.89Å; A312-L336 HydrophobicContact CB-CG 4.49Å; A312-P344 HydrophobicContact CB-CB 4.16Å; A312-P344 HydrophobicContact CB-CG 4.05Å |
| 313 | Y | 91.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.2 | -171.9 | -45.6 | -81.2 | 0 | 0 | 0 | 112.3 | F249 C262 Y263 L265 E311 E315 L316 P317 T320 V328 | F249-Y313 HydrophobicContact CE2-CE2 4.47Å; F249-Y313 HydrophobicContact CZ-CE2 4.18Å; C262-Y313 CarbonylContact C-O 3.54Å; C262-Y313 WeakPolarHBondContact CA-O 3.46Å; C262-Y313 VanDerWaalsContact CB-O 3.27Å; C262-Y313 WeakPolarHBondContact CB-O 3.11Å; Y263-Y313 PolarHBondContact N-O 2.59Å; Y263-Y313 PolarHBondContact O-N 2.96Å; L265-Y313 HydrophobicContact CB-CE2 4.34Å; E311-Y313 HydrophobicContact CB-CE1 4.26Å; E311-Y313 HydrophobicContact CB-CE2 3.78Å; E311-Y313 VanDerWaalsContact CB-CZ 3.48Å; E311-Y313 WeakPolarHBondContact CB-OH 3.28Å; E311-Y313 WeakPolarHBondContact CG-OH 3.16Å; Y313-E315 WeakPolarHBondContact CB-O 3.43Å; Y313-L316 HydrophobicContact CD2-CD1 4.42Å; Y313-P317 HydrophobicContact CD1-CG 3.79Å; Y313-P317 HydrophobicContact CE1-CG 3.61Å; Y313-P317 HydrophobicContact CG-CG 4.31Å; Y313-T320 WeakPolarHBondContact OH-CB 3.44Å; Y313-T320 WeakPolarHBondContact OH-CG2 3.39Å; Y313-T320 PolarHBondContact OH-OG1 2.96Å; Y313-V328 HydrophobicContact CD1-CB 4.46Å; Y313-V328 HydrophobicContact CD1-CG1 4.3Å; Y313-V328 HydrophobicContact CE1-CB 3.89Å; Y313-V328 HydrophobicContact CE1-CG1 4.04Å |
| 314 | Y | 89.4 | Confident | 92.8 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 27% | 0.271 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -75.8 | -39.4 | 164.8 | -73.3 | -64.8 | 0 | 0 | 0 | 111.9 | C262 S330 D332 R334 L336 | C262-Y314 HydrophobicContact CB-CD1 4.31Å; Y314-S330 WeakPolarHBondContact CD2-OG 3.48Å; Y314-S330 PolarHBondContact N-OG 2.82Å; Y314-D332 HydrophobicContact CD2-CB 4.28Å; Y314-D332 HydrophobicContact CE2-CB 3.89Å; Y314-R334 PolarHBondContact OH-O 3.12Å; Y314-L336 HydrophobicContact CD1-CD1 4.22Å; Y314-L336 HydrophobicContact CD1-CD2 4.21Å; Y314-L336 HydrophobicContact CD2-CD1 4.27Å; Y314-L336 HydrophobicContact CE1-CD1 4.11Å; Y314-L336 HydrophobicContact CE1-CD2 3.47Å; Y314-L336 VanDerWaalsContact CE1-CD2 3.47Å; Y314-L336 HydrophobicContact CE1-CG 4.01Å; Y314-L336 HydrophobicContact CE2-CD1 4.11Å; Y314-L336 HydrophobicContact CE2-CG 4.18Å; Y314-L336 HydrophobicContact CG-CD1 4.29Å |
| 315 | E | 89.2 | Confident | 93 | Very high | 154 Ų | 154 | 44 Ų | 44 | 72% | 0.72 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -119.1 | 129 | 173.6 | -175.5 | 176.7 | -174.5 | 0 | 0 | 108.9 | Y313 P317 | Y313-E315 WeakPolarHBondContact CB-O 3.43Å; E315-P317 VanDerWaalsContact O-CD 3.29Å; E315-P317 WeakPolarHBondContact O-CD 3.1Å |
| 316 | L | 91.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | trans | -69 | 116.7 | -176.3 | -168.3 | 69 | 0 | 0 | 0 | 110.1 | F249 Y263 Y313 L359 | F249-L316 HydrophobicContact CB-CD2 3.95Å; F249-L316 HydrophobicContact CB-CG 4.13Å; F249-L316 HydrophobicContact CD1-CD1 3.87Å; F249-L316 HydrophobicContact CD1-CD2 4.22Å; F249-L316 HydrophobicContact CD1-CG 4.25Å; F249-L316 HydrophobicContact CD2-CD1 4.24Å; F249-L316 HydrophobicContact CD2-CG 4.33Å; F249-L316 HydrophobicContact CE1-CD1 3.97Å; F249-L316 HydrophobicContact CE2-CD1 4.31Å; F249-L316 HydrophobicContact CG-CD1 3.99Å; F249-L316 HydrophobicContact CG-CD2 4.15Å; F249-L316 HydrophobicContact CG-CG 3.98Å; F249-L316 HydrophobicContact CZ-CD1 4.17Å; Y263-L316 HydrophobicContact CD1-CD1 4.01Å; Y263-L316 HydrophobicContact CD2-CB 3.95Å; Y263-L316 HydrophobicContact CD2-CD1 4.27Å; Y263-L316 HydrophobicContact CE1-CB 4.42Å; Y263-L316 HydrophobicContact CE1-CD2 4.38Å; Y263-L316 HydrophobicContact CE2-CB 3.83Å; Y263-L316 HydrophobicContact CG-CB 4.31Å; Y263-L316 HydrophobicContact CG-CD1 3.84Å; Y313-L316 HydrophobicContact CD2-CD1 4.42Å; L316-L359 HydrophobicContact CD1-CD1 3.92Å; L316-L359 HydrophobicContact CD1-CD2 4.06Å; L316-L359 HydrophobicContact CD2-CD2 4.03Å | ||
| 317 | P | 93.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | trans | -69.6 | 165.4 | 176.6 | 31 | -35.7 | 0 | 0 | 0 | 110.5 | F249 Y313 E315 R319 | F249-P317 WeakPolarHBondContact CB-O 3.44Å; F249-P317 HydrophobicContact CD2-CG 4.28Å; F249-P317 WeakPolarHBondContact CD2-O 3.29Å; F249-P317 HydrophobicContact CE2-CG 4.02Å; Y313-P317 HydrophobicContact CD1-CG 3.79Å; Y313-P317 HydrophobicContact CE1-CG 3.61Å; Y313-P317 HydrophobicContact CG-CG 4.31Å; E315-P317 VanDerWaalsContact O-CD 3.29Å; E315-P317 WeakPolarHBondContact O-CD 3.1Å; P317-R319 VanDerWaalsContact C-N 3.33Å | ||
| 318 | R | 94.5 | Very high | 90.4 | Very high | 228 Ų | 228 | 54.4 Ų | 54.4 | 86% | 0.86 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70.6 | -32 | 172.5 | -70.1 | -175 | 178 | 179.1 | -0.2 | 112.7 | F249 | F249-R318 PolarHBondContact N-O 3.14Š|
| 319 | R | 94.7 | Very high | 88.6 | Confident | 125 Ų | 125 | 60 Ų | 60 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.1 | -177.3 | 173.2 | 176.9 | 168.3 | -170.1 | -3.6 | 109.7 | V247 E248 P317 | V247-R319 CarbonylContact O-C 3.6Å; V247-R319 VanDerWaalsContact O-CA 3.24Å; V247-R319 WeakPolarHBondContact O-CA 3.46Å; E248-R319 HydrophobicContact CG-CB 4.45Å; E248-R319 HydrophobicContact CG-CG 4.32Å; P317-R319 VanDerWaalsContact C-N 3.33Å |
| 320 | T | 94.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 168 | 168.1 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | V247 F249 L265 Y313 I322 | V247-T320 HydrophobicContact CB-CG2 3.86Å; V247-T320 PolarHBondContact N-O 3.06Å; V247-T320 PolarHBondContact O-N 3.34Å; F249-T320 HydrophobicContact CE2-CG2 3.86Å; F249-T320 HydrophobicContact CZ-CG2 4.13Å; L265-T320 HydrophobicContact CD2-CG2 3.79Å; Y313-T320 WeakPolarHBondContact OH-CB 3.44Å; Y313-T320 WeakPolarHBondContact OH-CG2 3.39Å; Y313-T320 PolarHBondContact OH-OG1 2.96Å; T320-I322 HydrophobicContact CG2-CD1 4.3Å |
| 321 | I | 95.1 | Very high | 84.2 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.1 | 172.6 | -59.3 | 176.7 | 0 | 0 | 0 | 106.7 | T244 I245 D324 | T244-I321 HydrophobicContact CG2-CG2 4.07Å; I245-I321 CarbonylContact O-C 3.53Å; I245-I321 WeakPolarHBondContact O-CA 3.02Å; I321-D324 HydrophobicContact CG2-CB 4.17Å |
| 322 | I | 95.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.5 | 174.6 | -59.2 | -49.6 | 0 | 0 | 0 | 108.3 | T244 I245 V247 L265 I267 A310 E311 T320 D346 L349 | T244-I322 CarbonylContact C-O 3.47Å; T244-I322 WeakPolarHBondContact CA-O 3.3Å; T244-I322 WeakPolarHBondContact CB-O 3.36Å; I245-I322 HydrophobicContact CB-CB 4.47Å; I245-I322 PolarHBondContact N-O 3.1Å; I245-I322 PolarHBondContact O-N 3.4Å; V247-I322 HydrophobicContact CG2-CG1 4.33Å; L265-I322 HydrophobicContact CD2-CD1 3.79Å; L265-I322 HydrophobicContact CD2-CG1 3.96Å; I267-I322 HydrophobicContact CD1-CG1 4.42Å; I267-I322 HydrophobicContact CG1-CG2 4.18Å; A310-I322 HydrophobicContact CB-CD1 3.73Å; A310-I322 HydrophobicContact CB-CG1 4.34Å; A310-I322 HydrophobicContact CB-CG2 4.04Å; E311-I322 HydrophobicContact CB-CD1 4.34Å; E311-I322 HydrophobicContact CG-CD1 3.51Å; T320-I322 HydrophobicContact CG2-CD1 4.3Å; I322-D346 VanDerWaalsContact CA-OD1 3.25Å; I322-D346 WeakPolarHBondContact CA-OD1 3.31Å; I322-D346 WeakPolarHBondContact CG2-OD1 3.17Å; I322-L349 HydrophobicContact CG2-CD1 4.15Å; I322-L349 HydrophobicContact CG2-CD2 4.29Å |
| 323 | G | 93.9 | Very high | 80.2 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 98.7 | 7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D346 G347 | G323-D346 VanDerWaalsContact N-CG 3.31Å; G323-D346 PolarHBondContact N-OD1 2.85Å; G323-D346 PolarHBondContact N-OD2 2.94Å; G323-D346 VanDerWaalsContact N-OD2 3.09Å; G323-G347 WeakPolarHBondContact CA-O 3.43Å |
| 324 | D | 90.6 | Very high | 78.5 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -98.1 | 0.3 | -177 | 71.7 | 8.5 | 0 | 0 | 0 | 113.3 | T244 I321 Q326 D346 | T244-D324 HydrophobicContact CG2-CB 4.17Å; I321-D324 HydrophobicContact CG2-CB 4.17Å; D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.42Å; D324-Q326 PolarHBondContact OD1-N 3.26Å; D324-D346 PolarHBondContact N-OD2 2.88Å; D324-D346 VanDerWaalsContact OD1-OD2 3.07Å |
| 325 | S | 87.8 | Confident | 77.1 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 65 | 15.9 | -179.1 | -52.4 | 0 | 0 | 0 | 0 | 114.2 | D346 | S325-D346 VanDerWaalsContact CA-O 3.26Å; S325-D346 WeakPolarHBondContact CA-O 3.44Å; S325-D346 PolarHBondContact N-OD2 2.84Å |
| 326 | Q | 85 | Confident | 76.5 | Confident | 133 Ų | 133 | 81 Ų | 81 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | trans | -106.4 | 127.1 | 173.3 | -56.2 | -174.5 | 18.2 | 0 | 0 | 108.8 | D324 | D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.42Å; D324-Q326 PolarHBondContact OD1-N 3.26Å | ||
| 327 | Q | 73 | Confident | 76.2 | Confident | 88 Ų | 88 | 82.9 Ų | 82.9 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | trans | -88.8 | 127.4 | 169.8 | -64.1 | -169.8 | -6.7 | 0 | 0 | 109.3 | I329 P344 | Q327-I329 HydrophobicContact CB-CD1 4.23Å; Q327-I329 HydrophobicContact CB-CG1 3.72Å; Q327-I329 PolarHBondContact O-N 2.9Å; Q327-P344 PolarHBondContact NE2-O 2.97Å | ||
| 328 | V | 65.2 | Low | 76 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 42% | 0.424 | 42% | 0.423 | S | S | . | . | trans | -78.5 | 67.3 | 168.7 | -173.5 | 0 | 0 | 0 | 0 | 109 | E311 Y313 S330 | E311-V328 WeakPolarHBondContact OE1-CG2 3.38Å; E311-V328 PolarHBondContact OE1-N 2.82Å; E311-V328 VanDerWaalsContact OE1-N 3.09Å; E311-V328 PolarHBondContact OE2-N 3.47Å; Y313-V328 HydrophobicContact CD1-CB 4.46Å; Y313-V328 HydrophobicContact CD1-CG1 4.3Å; Y313-V328 HydrophobicContact CE1-CB 3.89Å; Y313-V328 HydrophobicContact CE1-CG1 4.04Å; V328-S330 PolarHBondContact O-N 2.76Å; V328-S330 VanDerWaalsContact O-N 3.08Å | ||
| 329 | I | 57.8 | Low | 75.7 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | trans | -74.7 | 101.5 | 173 | -52.7 | 178 | 0 | 0 | 0 | 108 | Q327 S331 | Q327-I329 HydrophobicContact CB-CD1 4.23Å; Q327-I329 HydrophobicContact CB-CG1 3.72Å; Q327-I329 PolarHBondContact O-N 2.9Å; I329-S331 PolarHBondContact O-N 2.85Å | ||
| 330 | S | 51.9 | Low | 75.3 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | trans | -56.4 | 130.6 | 164.2 | 48.9 | 0 | 0 | 0 | 0 | 109 | Y314 V328 D332 | Y314-S330 WeakPolarHBondContact CD2-OG 3.48Å; Y314-S330 PolarHBondContact N-OG 2.82Å; V328-S330 PolarHBondContact O-N 2.76Å; V328-S330 VanDerWaalsContact O-N 3.08Å; S330-D332 PolarHBondContact O-N 3.38Å | ||
| 331 | S | 48.4 | Very low | 75 | Confident | 128 Ų | 128 | 80.4 Ų | 80.4 | 90% | 0.895 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -51.8 | 11.8 | -159.4 | 59 | 0 | 0 | 0 | 0 | 120.6 | I329 | I329-S331 PolarHBondContact O-N 2.85Š|
| 332 | D | 54.3 | Low | 74.9 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | trans | -104 | 113.5 | 179.5 | -148.5 | -3.4 | 0 | 0 | 0 | 111.3 | Y314 S330 R334 | Y314-D332 HydrophobicContact CD2-CB 4.28Å; Y314-D332 HydrophobicContact CE2-CB 3.89Å; S330-D332 PolarHBondContact O-N 3.38Å; D332-R334 PolarHBondContact O-N 2.67Å | ||
| 333 | S | 47.2 | Very low | 74.6 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | trans | -72.3 | 20.5 | -161 | 68.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 334 | R | 57.5 | Low | 74.5 | Confident | 179 Ų | 179 | 83.7 Ų | 83.7 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -91 | 111.9 | 169.5 | -77.1 | -178.4 | -78.2 | 176.9 | -3.6 | 108 | Y314 D332 L336 | Y314-R334 PolarHBondContact OH-O 3.12Å; D332-R334 PolarHBondContact O-N 2.67Å; R334-L336 PolarHBondContact O-N 2.79Å |
| 335 | T | 59 | Low | 74.7 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 65% | 0.65 | 45% | 0.452 | S | S | * | . | trans | -54.6 | 118 | 178.7 | -17.6 | 0 | 0 | 0 | 0 | 109.6 | D337 L343 | T335-D337 PolarHBondContact O-N 2.96Å; T335-D337 VanDerWaalsContact O-N 3.15Å; T335-L343 HydrophobicContact CG2-CD2 3.47Å; T335-L343 VanDerWaalsContact CG2-CD2 3.47Å | ||
| 336 | L | 76.6 | Confident | 74.8 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | trans | -74.6 | 99.7 | 175.2 | -75.7 | 176.3 | 0 | 0 | 0 | 108.3 | C262 F264 A312 Y314 R334 P344 | C262-L336 HydrophobicContact CB-CD1 3.79Å; C262-L336 HydrophobicContact CB-CD2 3.65Å; C262-L336 HydrophobicContact CB-CG 4.36Å; F264-L336 HydrophobicContact CE1-CB 4.05Å; A312-L336 HydrophobicContact CB-CB 3.74Å; A312-L336 HydrophobicContact CB-CD1 3.89Å; A312-L336 HydrophobicContact CB-CG 4.49Å; Y314-L336 HydrophobicContact CD1-CD1 4.22Å; Y314-L336 HydrophobicContact CD1-CD2 4.21Å; Y314-L336 HydrophobicContact CD2-CD1 4.27Å; Y314-L336 HydrophobicContact CE1-CD1 4.11Å; Y314-L336 HydrophobicContact CE1-CD2 3.47Å; Y314-L336 VanDerWaalsContact CE1-CD2 3.47Å; Y314-L336 HydrophobicContact CE1-CG 4.01Å; Y314-L336 HydrophobicContact CE2-CD1 4.11Å; Y314-L336 HydrophobicContact CE2-CG 4.18Å; Y314-L336 HydrophobicContact CG-CD1 4.29Å; R334-L336 PolarHBondContact O-N 2.79Å; L336-P344 WeakPolarHBondContact O-CD 3.41Å | ||
| 337 | D | 84.8 | Confident | 75.1 | Confident | 55 Ų | 55 | 74 Ų | 74 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | trans | -98.6 | 128.1 | 174 | 57.2 | -6.8 | 0 | 0 | 0 | 111.4 | T335 G340 L343 | T335-D337 PolarHBondContact O-N 2.96Å; T335-D337 VanDerWaalsContact O-N 3.15Å; D337-G340 VanDerWaalsContact CG-CA 3.49Å; D337-G340 WeakPolarHBondContact OD2-CA 3.31Å; D337-L343 HydrophobicContact CB-CD2 4.13Å | ||
| 338 | F | 90.3 | Very high | 76 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 129.4 | 171.3 | 178.7 | -117.2 | 0 | 0 | 0 | 109.1 | F264 F287 I309 G340 R341 F342 I360 Y388 | F264-F338 HydrophobicContact CD1-CB 3.99Å; F264-F338 HydrophobicContact CD2-CB 4.49Å; F264-F338 AromaticContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CE1-CB 3.94Å; F264-F338 HydrophobicContact CE2-CB 4.46Å; F264-F338 HydrophobicContact CE2-CD2 4.05Å; F264-F338 HydrophobicContact CG-CB 4.26Å; F264-F338 HydrophobicContact CG-CD2 4.34Å; F264-F338 HydrophobicContact CZ-CB 4.18Å; F287-F338 HydrophobicContact CD1-CD1 4.07Å; F287-F338 AromaticContact CD1-CE1 3.86Å; F287-F338 HydrophobicContact CD1-CE1 3.86Å; F287-F338 AromaticContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CE1-CD1 4.17Å; F287-F338 AromaticContact CE1-CE1 3.74Å; F287-F338 HydrophobicContact CE1-CE1 3.74Å; F287-F338 AromaticContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CZ 4.04Å; F287-F338 HydrophobicContact CG-CD1 4.25Å; F287-F338 AromaticContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CZ-CD1 4.45Å; F287-F338 AromaticContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CZ 4.01Å; I309-F338 HydrophobicContact CD1-CB 4.09Å; I309-F338 HydrophobicContact CD1-CD1 3.81Å; I309-F338 HydrophobicContact CD1-CE1 4.5Å; I309-F338 HydrophobicContact CD1-CG 4.01Å; I309-F338 HydrophobicContact CG1-CB 3.8Å; I309-F338 HydrophobicContact CG1-CD1 4.09Å; I309-F338 HydrophobicContact CG1-CG 4.22Å; F338-G340 PolarHBondContact O-N 3.12Å; F338-R341 PolarHBondContact O-N 2.87Å; F338-F342 HydrophobicContact CB-CB 4.29Å; F338-F342 AromaticContact CD1-CD2 3.95Å; F338-F342 HydrophobicContact CD1-CD2 3.95Å; F338-F342 PolarHBondContact N-O 2.79Å; F338-F342 PolarHBondContact O-N 2.56Å; F338-I360 HydrophobicContact CD2-CD1 4.42Å; F338-I360 HydrophobicContact CE1-CD1 4.38Å; F338-I360 HydrophobicContact CE2-CD1 3.98Å; F338-I360 HydrophobicContact CE2-CG2 4.06Å; F338-I360 HydrophobicContact CZ-CD1 3.95Å; F338-Y388 HydrophobicContact CD2-CD1 4.14Å; F338-Y388 AromaticContact CD2-CE1 3.69Å; F338-Y388 HydrophobicContact CD2-CE1 3.69Å; F338-Y388 AromaticContact CE2-CD1 3.65Å; F338-Y388 HydrophobicContact CE2-CD1 3.65Å; F338-Y388 AromaticContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CG 4.16Å |
| 339 | L | 87.7 | Confident | 77.3 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 45% | 0.445 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 17.1 | -175.6 | -58.1 | 174.9 | 0 | 0 | 0 | 115.4 | R341 F342 Y388 | L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.92Å; L339-F342 HydrophobicContact CD1-CE2 4.23Å; L339-Y388 HydrophobicContact CD2-CD2 4.34Å; L339-Y388 HydrophobicContact CD2-CE2 3.67Å |
| 340 | G | 85.2 | Confident | 79 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 14.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D337 F338 | D337-G340 VanDerWaalsContact CG-CA 3.49Å; D337-G340 WeakPolarHBondContact OD2-CA 3.31Å; F338-G340 PolarHBondContact O-N 3.12Å |
| 341 | R | 88.6 | Confident | 80.8 | Confident | 207 Ų | 207 | 74 Ų | 74 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | -40.4 | -166.3 | -65 | -178.1 | -174.8 | -175.9 | 0.8 | 114.9 | F338 L339 | F338-R341 PolarHBondContact O-N 2.87Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.92Å |
| 342 | F | 92.3 | Very high | 82.8 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 109.7 | -171.9 | -55.6 | -73.2 | 0 | 0 | 0 | 110 | F287 I309 F338 L339 | F287-F342 HydrophobicContact CB-CD1 4.35Å; F287-F342 HydrophobicContact CB-CD2 3.9Å; F287-F342 HydrophobicContact CB-CE1 4.11Å; F287-F342 HydrophobicContact CB-CE2 3.61Å; F287-F342 HydrophobicContact CB-CG 4.25Å; F287-F342 HydrophobicContact CB-CZ 3.72Å; F287-F342 WeakPolarHBondContact O-CE1 3.35Å; F287-F342 VanDerWaalsContact O-CZ 3.27Å; F287-F342 WeakPolarHBondContact O-CZ 3.46Å; I309-F342 HydrophobicContact CG1-CB 4.06Å; F338-F342 HydrophobicContact CB-CB 4.29Å; F338-F342 AromaticContact CD1-CD2 3.95Å; F338-F342 HydrophobicContact CD1-CD2 3.95Å; F338-F342 PolarHBondContact N-O 2.79Å; F338-F342 PolarHBondContact O-N 2.56Å; L339-F342 HydrophobicContact CD1-CE2 4.23Å |
| 343 | L | 90.5 | Very high | 84.6 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | trans | -78.2 | 148.3 | 174 | -66.9 | 174.3 | 0 | 0 | 0 | 110.3 | T335 D337 Q345 | T335-L343 HydrophobicContact CG2-CD2 3.47Å; T335-L343 VanDerWaalsContact CG2-CD2 3.47Å; D337-L343 HydrophobicContact CB-CD2 4.13Å; L343-Q345 PolarHBondContact O-N 2.87Å | ||
| 344 | P | 91.8 | Very high | 86.8 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -61.5 | 134.6 | 169.8 | 27.3 | -34.1 | 0 | 0 | 0 | 110.1 | I309 A312 Q327 L336 | I309-P344 HydrophobicContact CG2-CB 4.16Å; I309-P344 CarbonylContact O-C 3.6Å; I309-P344 WeakPolarHBondContact O-CA 3.35Å; A312-P344 HydrophobicContact CB-CB 4.16Å; A312-P344 HydrophobicContact CB-CG 4.05Å; Q327-P344 PolarHBondContact NE2-O 2.97Å; L336-P344 WeakPolarHBondContact O-CD 3.41Å | ||
| 345 | Q | 93.1 | Very high | 88.6 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | trans | -141.7 | 100 | -179.5 | -69 | 175.7 | -2.3 | 0 | 0 | 108.5 | Y308 I309 A310 L343 G347 | Y308-Q345 VanDerWaalsContact CE2-O 3.23Å; Y308-Q345 WeakPolarHBondContact CE2-O 3.21Å; I309-Q345 PolarHBondContact O-N 2.88Å; A310-Q345 CarbonylContact O-C 3.43Å; A310-Q345 PolarHBondContact O-N 2.85Å; L343-Q345 PolarHBondContact O-N 2.87Å; Q345-G347 PolarHBondContact O-N 2.79Å | ||
| 346 | D | 91.6 | Very high | 90.3 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | trans | -86.9 | 82.2 | 173.2 | -170 | 51.1 | 0 | 0 | 0 | 110.2 | A310 I322 G323 D324 S325 | A310-D346 PolarHBondContact O-N 3.05Å; I322-D346 VanDerWaalsContact CA-OD1 3.25Å; I322-D346 WeakPolarHBondContact CA-OD1 3.31Å; I322-D346 WeakPolarHBondContact CG2-OD1 3.17Å; G323-D346 VanDerWaalsContact N-CG 3.31Å; G323-D346 PolarHBondContact N-OD1 2.85Å; G323-D346 PolarHBondContact N-OD2 2.94Å; G323-D346 VanDerWaalsContact N-OD2 3.09Å; D324-D346 PolarHBondContact N-OD2 2.88Å; D324-D346 VanDerWaalsContact OD1-OD2 3.07Å; S325-D346 VanDerWaalsContact CA-O 3.26Å; S325-D346 WeakPolarHBondContact CA-O 3.44Å; S325-D346 PolarHBondContact N-OD2 2.84Å | ||
| 347 | G | 90.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 154.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G323 Q345 L349 | G323-G347 WeakPolarHBondContact CA-O 3.43Å; Q345-G347 PolarHBondContact O-N 2.79Å; G347-L349 PolarHBondContact O-N 3.16Å |
| 348 | E | 90.7 | Very high | 91.9 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -53.9 | 136.6 | 177.8 | -174.9 | 178.7 | -179.1 | 0 | 0 | 111.8 | K243 Y290 | K243-E348 HydrophobicContact CD-CG 4.44Å; K243-E348 WeakPolarHBondContact CD-OE1 3.24Å; K243-E348 WeakPolarHBondContact CE-OE1 3.34Å; K243-E348 IonicContact NZ-OE1 3.15Å; K243-E348 PolarHBondContact NZ-OE1 2.75Å; Y290-E348 PolarHBondContact OH-O 3.16Å |
| 349 | L | 94.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -92 | 142 | 178.6 | -49.2 | 176.8 | 0 | 0 | 0 | 111.3 | K243 I245 Y308 I322 G347 Y355 L399 | K243-L349 WeakPolarHBondContact O-CB 3.47Å; K243-L349 WeakPolarHBondContact O-CG 3.49Å; K243-L349 PolarHBondContact O-N 2.81Å; I245-L349 HydrophobicContact CB-CD1 4.33Å; I245-L349 HydrophobicContact CD1-CD1 3.5Å; I245-L349 HydrophobicContact CG1-CD1 3.65Å; Y308-L349 WeakPolarHBondContact OH-CD2 3.5Å; I322-L349 HydrophobicContact CG2-CD1 4.15Å; I322-L349 HydrophobicContact CG2-CD2 4.29Å; G347-L349 PolarHBondContact O-N 3.16Å; L349-Y355 HydrophobicContact CB-CE1 4.05Å; L349-Y355 HydrophobicContact CB-CE2 4.18Å; L349-Y355 HydrophobicContact CD1-CD1 4.38Å; L349-Y355 HydrophobicContact CD1-CE1 4.42Å; L349-Y355 HydrophobicContact CD2-CD1 4.1Å; L349-Y355 HydrophobicContact CD2-CE1 3.71Å; L349-Y355 HydrophobicContact CG-CE1 4.27Å; L349-L399 HydrophobicContact CB-CD1 3.49Å; L349-L399 VanDerWaalsContact CB-CD1 3.49Å; L349-L399 HydrophobicContact CD1-CD1 3.75Å; L349-L399 HydrophobicContact CG-CD1 4.28Å |
| 350 | E | 92.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 33% | 0.327 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -84.5 | 141.7 | 178.5 | -66.4 | -179 | -141.9 | 0 | 0 | 112.5 | M294 H299 Y353 Y355 | M294-E350 HydrophobicContact CE-CB 4.18Å; M294-E350 HydrophobicContact CE-CG 3.77Å; H299-E350 IonicContact CE1-OE2 2.81Å; E350-Y353 HydrophobicContact CB-CD2 3.58Å; E350-Y353 HydrophobicContact CB-CE2 3.8Å; E350-Y353 VanDerWaalsContact OE2-CE2 3.32Å; E350-Y353 WeakPolarHBondContact OE2-CE2 2.88Å; E350-Y355 WeakPolarHBondContact CA-OH 3.34Å; E350-Y355 PolarHBondContact N-OH 2.97Å; E350-Y355 WeakPolarHBondContact O-CE2 3.34Å; E350-Y355 PolarHBondContact O-OH 2.85Å |
| 351 | R | 91.3 | Very high | 93.2 | Very high | 147 Ų | 147 | 40.9 Ų | 40.9 | 56% | 0.555 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 153.5 | 171.7 | -67.9 | 180 | 175.9 | -150.9 | -7.4 | 111.2 | D242 Y353 L399 | D242-R351 HydrophobicContact CB-CG 3.99Å; D242-R351 VanDerWaalsContact O-CG 3.24Å; D242-R351 WeakPolarHBondContact O-CG 3.38Å; D242-R351 IonicContact OD2-CZ 2.63Å; D242-R351 IonicContact OD2-NE 3.67Å; D242-R351 IonicContact OD2-NH1 3.26Å; D242-R351 IonicContact OD2-NH2 3.39Å; D242-R351 PolarHBondContact OD2-NH2 3.01Å; R351-Y353 VanDerWaalsContact C-N 3.35Å; R351-Y353 VanDerWaalsContact O-CD2 3.22Å; R351-Y353 WeakPolarHBondContact O-CD2 3.05Å; R351-Y353 WeakPolarHBondContact O-CE2 3.48Å; R351-L399 CarbonylContact C-O 3.58Å; R351-L399 WeakPolarHBondContact CA-O 3.38Å |
| 352 | G | 90.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 2.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L399 | G352-L399 PolarHBondContact N-O 2.87Š|
| 353 | Y | 92.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 31 Ų | 31 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 159.5 | -175.4 | -60.6 | -72.1 | 0 | 0 | 0 | 113.1 | T271 L298 E350 R351 Y398 L399 | T271-Y353 HydrophobicContact CG2-CE1 4.33Å; L298-Y353 HydrophobicContact CB-CD1 4.39Å; L298-Y353 HydrophobicContact CB-CE1 3.89Å; L298-Y353 HydrophobicContact CD1-CD1 4.14Å; L298-Y353 HydrophobicContact CD1-CD2 3.81Å; L298-Y353 HydrophobicContact CD1-CE1 4.22Å; L298-Y353 HydrophobicContact CD1-CE2 3.91Å; L298-Y353 HydrophobicContact CD1-CG 3.91Å; L298-Y353 HydrophobicContact CD2-CD1 3.44Å; L298-Y353 VanDerWaalsContact CD2-CD1 3.44Å; L298-Y353 HydrophobicContact CD2-CE1 3.82Å; L298-Y353 HydrophobicContact CD2-CG 3.84Å; L298-Y353 HydrophobicContact CG-CD1 4.18Å; L298-Y353 HydrophobicContact CG-CE1 4.18Å; L298-Y353 HydrophobicContact CG-CG 4.42Å; E350-Y353 HydrophobicContact CB-CD2 3.58Å; E350-Y353 HydrophobicContact CB-CE2 3.8Å; E350-Y353 VanDerWaalsContact OE2-CE2 3.32Å; E350-Y353 WeakPolarHBondContact OE2-CE2 2.88Å; R351-Y353 VanDerWaalsContact C-N 3.35Å; R351-Y353 VanDerWaalsContact O-CD2 3.22Å; R351-Y353 WeakPolarHBondContact O-CD2 3.05Å; R351-Y353 WeakPolarHBondContact O-CE2 3.48Å; Y353-Y398 WeakPolarHBondContact O-CD2 3.13Å; Y353-L399 PolarHBondContact O-N 2.84Å |
| 354 | K | 92.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 23% | 0.226 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.9 | 173.5 | -61.7 | -178 | -173.5 | 161.6 | 0 | 108.9 | C270 L272 F276 V397 Y398 | C270-K354 WeakPolarHBondContact CA-O 3.44Å; C270-K354 HydrophobicContact CB-CB 4.37Å; C270-K354 WeakPolarHBondContact CB-O 3.12Å; C270-K354 PolarHBondContact N-O 2.91Å; C270-K354 PolarHBondContact O-N 3.45Å; L272-K354 HydrophobicContact CD2-CD 4.33Å; L272-K354 HydrophobicContact CD2-CG 4.02Å; L272-K354 PolarHBondContact O-NZ 2.91Å; F276-K354 HydrophobicContact CE2-CD 4.16Å; F276-K354 HydrophobicContact CZ-CB 4.34Å; F276-K354 HydrophobicContact CZ-CD 3.62Å; K354-V397 CarbonylContact C-O 3.17Å; K354-V397 WeakPolarHBondContact CA-O 3.27Å; K354-Y398 HydrophobicContact CG-CD2 4.17Å |
| 355 | Y | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.2 | 176.6 | -63.1 | -90.7 | 0 | 0 | 0 | 109.2 | I245 I267 P269 M294 L349 E350 P396 V397 L399 | I245-Y355 HydrophobicContact CD1-CD1 4.34Å; I245-Y355 HydrophobicContact CD1-CD2 3.87Å; I245-Y355 HydrophobicContact CD1-CG 3.54Å; I267-Y355 HydrophobicContact CG2-CD1 4.08Å; P269-Y355 HydrophobicContact CB-CD1 4.12Å; P269-Y355 HydrophobicContact CB-CE1 3.81Å; M294-Y355 HydrophobicContact CE-CE1 4.49Å; M294-Y355 HydrophobicContact SD-CE1 4.32Å; L349-Y355 HydrophobicContact CB-CE1 4.05Å; L349-Y355 HydrophobicContact CB-CE2 4.18Å; L349-Y355 HydrophobicContact CD1-CD1 4.38Å; L349-Y355 HydrophobicContact CD1-CE1 4.42Å; L349-Y355 HydrophobicContact CD2-CD1 4.1Å; L349-Y355 HydrophobicContact CD2-CE1 3.71Å; L349-Y355 HydrophobicContact CG-CE1 4.27Å; E350-Y355 WeakPolarHBondContact CA-OH 3.34Å; E350-Y355 PolarHBondContact N-OH 2.97Å; E350-Y355 WeakPolarHBondContact O-CE2 3.34Å; E350-Y355 PolarHBondContact O-OH 2.85Å; Y355-P396 CarbonylContact O-C 3.53Å; Y355-P396 WeakPolarHBondContact O-CA 3.29Å; Y355-V397 PolarHBondContact N-O 2.9Å; Y355-V397 PolarHBondContact O-N 3.5Å; Y355-L399 HydrophobicContact CD2-CD1 3.81Å; Y355-L399 HydrophobicContact CD2-CG 3.84Å; Y355-L399 HydrophobicContact CE2-CB 4.22Å; Y355-L399 HydrophobicContact CE2-CD1 3.5Å; Y355-L399 VanDerWaalsContact CE2-CD1 3.5Å; Y355-L399 HydrophobicContact CE2-CG 3.8Å |
| 356 | I | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 167.4 | 173.9 | -165.4 | 169.4 | 0 | 0 | 0 | 108.3 | I267 I268 F276 L279 Y393 F394 P396 | I267-I356 CarbonylContact C-O 3.59Å; I267-I356 WeakPolarHBondContact CA-O 3.02Å; I268-I356 HydrophobicContact CB-CG2 3.66Å; I268-I356 HydrophobicContact CD1-CG2 4.08Å; I268-I356 HydrophobicContact CG1-CG2 4.29Å; I268-I356 HydrophobicContact CG2-CG2 4.29Å; I268-I356 PolarHBondContact N-O 2.91Å; I268-I356 PolarHBondContact O-N 3.16Å; F276-I356 HydrophobicContact CD1-CD1 3.77Å; F276-I356 HydrophobicContact CE1-CD1 4.24Å; L279-I356 HydrophobicContact CD1-CD1 4.28Å; L279-I356 HydrophobicContact CD1-CG2 4.05Å; I356-Y393 HydrophobicContact CD1-CD1 4.15Å; I356-Y393 HydrophobicContact CD1-CG 3.93Å; I356-Y393 HydrophobicContact CG1-CD1 4.12Å; I356-Y393 HydrophobicContact CG1-CG 4.3Å; I356-F394 VanDerWaalsContact C-CE2 3.46Å; I356-F394 VanDerWaalsContact CA-CE2 3.44Å; I356-F394 HydrophobicContact CG1-CD2 4.42Å; I356-F394 VanDerWaalsContact CG1-O 3.25Å; I356-F394 WeakPolarHBondContact CG1-O 3.18Å; I356-P396 HydrophobicContact CD1-CG 4.15Å |
| 357 | G | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A266 Y393 F394 | A266-G357 CarbonylContact O-C 3.47Å; A266-G357 WeakPolarHBondContact O-CA 3.49Å; G357-Y393 WeakPolarHBondContact O-CA 2.79Å; G357-F394 VanDerWaalsContact CA-CZ 3.48Å; G357-F394 VanDerWaalsContact N-CE2 3.32Å; G357-F394 WeakPolarHBondContact O-CD1 3.25Å; G357-F394 WeakPolarHBondContact O-CG 3.39Å; G357-F394 PolarHBondContact O-N 2.83Å |
| 358 | F | 98 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 155.8 | -174.9 | 54.8 | -84.4 | 0 | 0 | 0 | 110.5 | A266 I268 P282 M285 F287 A307 I360 F390 G392 Y393 | A266-F358 HydrophobicContact CB-CD1 4.23Å; A266-F358 HydrophobicContact CB-CD2 4.12Å; A266-F358 HydrophobicContact CB-CE1 3.83Å; A266-F358 HydrophobicContact CB-CE2 3.72Å; A266-F358 HydrophobicContact CB-CG 4.38Å; A266-F358 HydrophobicContact CB-CZ 3.57Å; A266-F358 PolarHBondContact N-O 2.87Å; A266-F358 PolarHBondContact O-N 2.72Å; I268-F358 HydrophobicContact CD1-CE1 4.08Å; I268-F358 HydrophobicContact CG1-CE1 4.44Å; P282-F358 HydrophobicContact CB-CB 4.48Å; P282-F358 HydrophobicContact CB-CD1 4.24Å; P282-F358 HydrophobicContact CB-CD2 3.74Å; P282-F358 HydrophobicContact CB-CE1 4.4Å; P282-F358 HydrophobicContact CB-CE2 3.91Å; P282-F358 HydrophobicContact CB-CG 3.9Å; P282-F358 HydrophobicContact CB-CZ 4.23Å; P282-F358 HydrophobicContact CG-CB 4.46Å; P282-F358 HydrophobicContact CG-CD1 4.47Å; P282-F358 HydrophobicContact CG-CG 4.27Å; M285-F358 HydrophobicContact CB-CE1 4.4Å; M285-F358 HydrophobicContact CB-CZ 4.03Å; M285-F358 HydrophobicContact CG-CE1 4.22Å; M285-F358 HydrophobicContact CG-CZ 4.2Å; F287-F358 HydrophobicContact CE1-CZ 4.18Å; F287-F358 AromaticContact CZ-CE2 3.96Å; F287-F358 HydrophobicContact CZ-CE2 3.96Å; F287-F358 AromaticContact CZ-CZ 3.68Å; F287-F358 HydrophobicContact CZ-CZ 3.68Å; A307-F358 HydrophobicContact CB-CE1 4.41Å; A307-F358 HydrophobicContact CB-CZ 4.48Å; F358-I360 HydrophobicContact CD2-CD1 4.36Å; F358-I360 HydrophobicContact CD2-CG1 3.84Å; F358-I360 HydrophobicContact CE2-CD1 3.77Å; F358-I360 HydrophobicContact CE2-CG1 3.74Å; F358-F390 HydrophobicContact CD2-CD1 4.14Å; F358-F390 AromaticContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CE1 4.35Å; F358-G392 WeakPolarHBondContact CB-O 3.23Å; F358-Y393 HydrophobicContact CB-CD1 4.39Å; F358-Y393 AromaticContact CD1-CD1 3.7Å; F358-Y393 HydrophobicContact CD1-CD1 3.7Å; F358-Y393 AromaticContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CE1-CD1 4.47Å; F358-Y393 AromaticContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CG-CD1 4.44Å; F358-Y393 HydrophobicContact CG-CE1 4.33Å |
| 359 | L | 98 | Very high | 92.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 139.6 | 176.6 | -177.9 | 63.2 | 0 | 0 | 0 | 109.9 | I231 P234 F249 Y263 L316 F390 S391 | I231-L359 HydrophobicContact CG2-CB 4.26Å; I231-L359 HydrophobicContact CG2-CD2 3.79Å; I231-L359 HydrophobicContact CG2-CG 4.17Å; P234-L359 HydrophobicContact CG-CB 3.79Å; F249-L359 HydrophobicContact CD1-CD2 4.04Å; F249-L359 HydrophobicContact CE1-CD1 3.88Å; F249-L359 HydrophobicContact CE1-CD2 4.19Å; F249-L359 HydrophobicContact CE1-CG 4.48Å; Y263-L359 HydrophobicContact CD1-CD1 4.32Å; Y263-L359 HydrophobicContact CD1-CD2 4.4Å; L316-L359 HydrophobicContact CD1-CD1 3.92Å; L316-L359 HydrophobicContact CD1-CD2 4.06Å; L316-L359 HydrophobicContact CD2-CD2 4.03Å; L359-F390 WeakPolarHBondContact O-CA 3.3Å; L359-S391 PolarHBondContact N-OG 2.92Å; L359-S391 PolarHBondContact O-N 2.84Å |
| 360 | I | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.4 | 175.4 | -47.1 | 175.1 | 0 | 0 | 0 | 107.7 | Y263 F264 A266 F287 I309 F338 F358 Y388 S389 F390 | Y263-I360 CarbonylContact C-O 3.48Å; Y263-I360 WeakPolarHBondContact CA-O 3.5Å; F264-I360 HydrophobicContact CB-CB 4.15Å; F264-I360 HydrophobicContact CB-CD1 4.35Å; F264-I360 HydrophobicContact CD2-CB 4.46Å; F264-I360 PolarHBondContact N-O 2.66Å; F264-I360 PolarHBondContact O-N 2.89Å; A266-I360 HydrophobicContact CB-CD1 4.17Å; F287-I360 HydrophobicContact CE1-CD1 4.05Å; F287-I360 HydrophobicContact CZ-CD1 3.83Å; I309-I360 HydrophobicContact CD1-CD1 4.2Å; F338-I360 HydrophobicContact CD2-CD1 4.42Å; F338-I360 HydrophobicContact CE1-CD1 4.38Å; F338-I360 HydrophobicContact CE2-CD1 3.98Å; F338-I360 HydrophobicContact CE2-CG2 4.06Å; F338-I360 HydrophobicContact CZ-CD1 3.95Å; F358-I360 HydrophobicContact CD2-CD1 4.36Å; F358-I360 HydrophobicContact CD2-CG1 3.84Å; F358-I360 HydrophobicContact CE2-CD1 3.77Å; F358-I360 HydrophobicContact CE2-CG1 3.74Å; I360-Y388 HydrophobicContact CG2-CD1 3.89Å; I360-Y388 HydrophobicContact CG2-CG 4.42Å; I360-S389 CarbonylContact C-O 3.23Å; I360-S389 WeakPolarHBondContact CA-O 3.45Å; I360-F390 HydrophobicContact CB-CD1 4.47Å; I360-F390 HydrophobicContact CD1-CD1 4.29Å; I360-F390 HydrophobicContact CD1-CE1 4.03Å; I360-F390 HydrophobicContact CG1-CD1 3.86Å; I360-F390 HydrophobicContact CG1-CE1 4.05Å; I360-F390 HydrophobicContact CG2-CD1 4.12Å; I360-F390 HydrophobicContact CG2-CE1 3.92Å; I360-F390 HydrophobicContact CG2-CZ 4.4Å |
| 361 | A | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P228 I231 I260 Y263 Y388 S389 | P228-A361 HydrophobicContact CG-CB 3.93Å; I231-A361 HydrophobicContact CD1-CB 3.52Å; I260-A361 HydrophobicContact CD1-CB 4.5Å; I260-A361 HydrophobicContact CG2-CB 4.07Å; Y263-A361 HydrophobicContact CD1-CB 4.05Å; Y263-A361 HydrophobicContact CE1-CB 4.09Å; A361-Y388 WeakPolarHBondContact O-CA 3.05Å; A361-S389 PolarHBondContact N-O 2.82Å; A361-S389 PolarHBondContact O-N 3.43Å |
| 362 | R | 94.5 | Very high | 90.2 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.1 | 177.9 | 174.9 | 176.8 | 164.1 | 179.3 | -7.3 | 110.7 | T261 C262 F264 D364 P386 T387 Y388 | T261-R362 PolarHBondContact N-O 2.82Å; C262-R362 PolarHBondContact O-N 2.84Å; F264-R362 HydrophobicContact CE2-CB 3.96Å; R362-D364 IonicContact CZ-OD1 2.8Å; R362-D364 VanDerWaalsContact CZ-OD1 3.3Å; R362-D364 IonicContact NE-OD1 3.89Å; R362-D364 PolarHBondContact NE-OD1 3.24Å; R362-D364 IonicContact NH2-OD1 3.89Å; R362-D364 PolarHBondContact NH2-OD1 3.35Å; R362-D364 IonicContact NH2-OD2 3.22Å; R362-D364 PolarHBondContact NH2-OD2 3.24Å; R362-P386 HydrophobicContact CG-CB 3.91Å; R362-T387 WeakPolarHBondContact CA-O 3.44Å; R362-Y388 HydrophobicContact CB-CD1 3.89Å; R362-Y388 HydrophobicContact CB-CE1 3.76Å; R362-Y388 HydrophobicContact CG-CD1 4.21Å; R362-Y388 HydrophobicContact CG-CE1 3.73Å |
| 363 | V | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.4 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | F225 I260 T387 | F225-V363 HydrophobicContact CB-CG1 3.62Å; I260-V363 HydrophobicContact CG1-CG2 4.35Å; V363-T387 PolarHBondContact N-O 2.77Å; V363-T387 PolarHBondContact O-N 2.73Å; V363-T387 PolarHBondContact O-OG1 3.09Å |
| 364 | D | 91.3 | Very high | 86.5 | Confident | 54 Ų | 54 | 40.4 Ų | 40.4 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | trans | -75 | 143.9 | 172.4 | -75 | -8.7 | 0 | 0 | 0 | 111.1 | T261 R362 P386 | T261-D364 PolarHBondContact OG1-N 2.83Å; R362-D364 IonicContact CZ-OD1 2.8Å; R362-D364 VanDerWaalsContact CZ-OD1 3.3Å; R362-D364 IonicContact NE-OD1 3.89Å; R362-D364 PolarHBondContact NE-OD1 3.24Å; R362-D364 IonicContact NH2-OD1 3.89Å; R362-D364 PolarHBondContact NH2-OD1 3.35Å; R362-D364 IonicContact NH2-OD2 3.22Å; R362-D364 PolarHBondContact NH2-OD2 3.24Å; D364-P386 WeakPolarHBondContact OD1-CB 3.45Å; D364-P386 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 365 | P | 91.4 | Very high | 84.3 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | trans | -67.1 | 147.2 | -179.3 | 26.9 | -34.3 | 0 | 0 | 0 | 112.3 | R367 L384 | P365-R367 PolarHBondContact O-N 2.84Å; P365-L384 HydrophobicContact CG-CB 3.89Å | ||
| 366 | D | 90.8 | Very high | 82.3 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -73.9 | 95.6 | 175.5 | -176.7 | -0.8 | 0 | 0 | 0 | 110.1 | R148 S224 F225 T368 V369 Y370 | R148-D366 IonicContact CZ-OD2 3.97Å; R148-D366 VanDerWaalsContact CZ-OD2 3.22Å; R148-D366 IonicContact NH1-OD2 3.75Å; R148-D366 PolarHBondContact NH1-OD2 2.9Å; R148-D366 IonicContact NH2-OD2 3.1Å; R148-D366 PolarHBondContact NH2-OD2 3.33Å; S224-D366 PolarHBondContact OG-N 2.78Å; F225-D366 HydrophobicContact CD1-CB 4.05Å; F225-D366 HydrophobicContact CD2-CB 3.62Å; F225-D366 HydrophobicContact CE1-CB 4.06Å; F225-D366 HydrophobicContact CE2-CB 3.62Å; F225-D366 HydrophobicContact CG-CB 3.82Å; F225-D366 HydrophobicContact CZ-CB 3.83Å; D366-T368 VanDerWaalsContact CG-OG1 3.24Å; D366-T368 PolarHBondContact O-N 2.92Å; D366-T368 VanDerWaalsContact O-N 3.09Å; D366-T368 VanDerWaalsContact OD1-CB 3.31Å; D366-T368 WeakPolarHBondContact OD1-CB 3.47Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.34Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 2.85Å; D366-T368 PolarHBondContact OD2-OG1 3.1Å; D366-V369 WeakPolarHBondContact O-CG2 3.36Å; D366-V369 PolarHBondContact O-N 3.26Å; D366-Y370 VanDerWaalsContact O-CD2 3.25Å; D366-Y370 WeakPolarHBondContact O-CD2 3.21Å; D366-Y370 WeakPolarHBondContact O-CE2 3.45Å | ||
| 367 | R | 87 | Confident | 80.3 | Confident | 157 Ų | 157 | 55.3 Ų | 55.3 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.1 | -179.7 | -64.2 | -173.3 | 179.8 | -164 | -0.8 | 113.5 | P365 V369 Y370 L384 | P365-R367 PolarHBondContact O-N 2.84Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 2.9Å; R367-Y370 PolarHBondContact O-N 3.48Å; R367-L384 HydrophobicContact CG-CD1 4.47Å |
| 368 | T | 85.8 | Confident | 78.7 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -69.5 | -25.5 | -177.7 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | D366 Y370 | D366-T368 VanDerWaalsContact CG-OG1 3.24Å; D366-T368 PolarHBondContact O-N 2.92Å; D366-T368 VanDerWaalsContact O-N 3.09Å; D366-T368 VanDerWaalsContact OD1-CB 3.31Å; D366-T368 WeakPolarHBondContact OD1-CB 3.47Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.34Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 2.85Å; D366-T368 PolarHBondContact OD2-OG1 3.1Å; T368-Y370 VanDerWaalsContact C-N 3.3Å; T368-Y370 PolarHBondContact O-N 3.11Å |
| 369 | V | 88.3 | Confident | 77 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -79.4 | -13 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 114 | R119 L222 D366 R367 | R119-V369 PolarHBondContact NH1-O 3.01Å; R119-V369 PolarHBondContact NH2-O 2.86Å; L222-V369 HydrophobicContact CB-CB 4.22Å; L222-V369 HydrophobicContact CB-CG1 3.69Å; L222-V369 HydrophobicContact CD1-CG1 4.29Å; D366-V369 WeakPolarHBondContact O-CG2 3.36Å; D366-V369 PolarHBondContact O-N 3.26Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 2.9Å |
| 370 | Y | 84.9 | Confident | 75.5 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -91.5 | -5.9 | -175.9 | -64.7 | -84.3 | 0 | 0 | 0 | 113.7 | Q116 V117 R119 S224 D366 R367 T368 L372 I379 L384 | Q116-Y370 WeakPolarHBondContact O-CE1 3.25Å; V117-Y370 WeakPolarHBondContact O-CE1 3.46Å; V117-Y370 PolarHBondContact O-OH 3.28Å; R119-Y370 HydrophobicContact CG-CE1 4.08Å; S224-Y370 WeakPolarHBondContact CB-OH 3.34Å; D366-Y370 VanDerWaalsContact O-CD2 3.25Å; D366-Y370 WeakPolarHBondContact O-CD2 3.21Å; D366-Y370 WeakPolarHBondContact O-CE2 3.45Å; R367-Y370 PolarHBondContact O-N 3.48Å; T368-Y370 VanDerWaalsContact C-N 3.3Å; T368-Y370 PolarHBondContact O-N 3.11Å; Y370-L372 VanDerWaalsContact C-N 3.29Å; Y370-L372 PolarHBondContact O-N 2.9Å; Y370-I379 HydrophobicContact CD1-CD1 3.96Å; Y370-L384 HydrophobicContact CD1-CD2 3.98Å; Y370-L384 HydrophobicContact CD2-CD1 3.99Å; Y370-L384 HydrophobicContact CD2-CD2 4.06Å; Y370-L384 HydrophobicContact CE1-CD2 3.61Å; Y370-L384 HydrophobicContact CE2-CD1 4.36Å; Y370-L384 HydrophobicContact CE2-CD2 3.73Å; Y370-L384 HydrophobicContact CG-CD1 4.16Å; Y370-L384 HydrophobicContact CG-CD2 4.18Å; Y370-L384 VanDerWaalsContact CZ-CD2 3.48Å |
| 371 | N | 70 | Confident | 74.1 | Confident | 100 Ų | 100 | 69.5 Ų | 69.5 | 54% | 0.535 | 38% | 0.375 | S | S | . | . | trans | 39.8 | 54.6 | -179.9 | -162.1 | 15.1 | 0 | 0 | 0 | 113.5 | S373 | N371-S373 PolarHBondContact O-N 3.23Å; N371-S373 VanDerWaalsContact O-N 3.1Å; N371-S373 PolarHBondContact OD1-OG 3.11Å | ||
| 372 | L | 64.4 | Low | 72.9 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -5.5 | -174.2 | -63.2 | 168.8 | 0 | 0 | 0 | 113.8 | Y370 L384 | Y370-L372 VanDerWaalsContact C-N 3.29Å; Y370-L372 PolarHBondContact O-N 2.9Å; L372-L384 HydrophobicContact CD1-CD1 4.17Å |
| 373 | S | 56.5 | Low | 72 | Confident | 95 Ų | 95 | 78 Ų | 78 | 66% | 0.664 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -28.8 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | N371 | N371-S373 PolarHBondContact O-N 3.23Å; N371-S373 VanDerWaalsContact O-N 3.1Å; N371-S373 PolarHBondContact OD1-OG 3.11Å |
| 374 | N | 49.9 | Very low | 71.5 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -107 | 84 | -178.4 | -75.4 | -5.7 | 0 | 0 | 0 | 109.9 | R376 | N374-R376 PolarHBondContact O-N 3.43Š|
| 375 | S | 45.9 | Very low | 71.3 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 79% | 0.79 | 44% | 0.441 | S | S | * | . | trans | 32 | 47 | 148.5 | 60 | 0 | 0 | 0 | 0 | 116.6 | P377 | S375-P377 WeakPolarHBondContact O-CD 3.3Š| ||
| 376 | R | 53.2 | Low | 71.3 | Confident | 148 Ų | 148 | 83.7 Ų | 83.7 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | trans | -98.6 | 94.8 | 161.3 | -78.4 | -156.6 | -168.9 | 177.4 | 8.2 | 106.1 | N374 D378 | N374-R376 PolarHBondContact O-N 3.43Å; R376-D378 PolarHBondContact O-N 2.88Å | ||
| 377 | P | 53.7 | Low | 71.4 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 71% | 0.714 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.8 | 179 | 24.7 | -33 | 0 | 0 | 0 | 113.1 | S375 I379 | S375-P377 WeakPolarHBondContact O-CD 3.3Å; P377-I379 PolarHBondContact O-N 3.03Å |
| 378 | D | 61.9 | Low | 71.8 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 60% | 0.599 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -21.5 | -169.2 | -51.6 | -25 | 0 | 0 | 0 | 114.7 | R376 W383 | R376-D378 PolarHBondContact O-N 2.88Å; D378-W383 WeakPolarHBondContact O-CH2 3.46Å; D378-W383 WeakPolarHBondContact O-CZ3 3.38Å |
| 379 | I | 62.8 | Low | 72.3 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -113.9 | 100.2 | -178.8 | -51.1 | 178 | 0 | 0 | 0 | 109 | Q116 Y370 P377 W383 L384 | Q116-I379 HydrophobicContact CB-CD1 3.82Å; Q116-I379 HydrophobicContact CB-CG1 4.5Å; Y370-I379 HydrophobicContact CD1-CD1 3.96Å; P377-I379 PolarHBondContact O-N 3.03Å; I379-W383 HydrophobicContact CG2-CE3 4.49Å; I379-L384 HydrophobicContact CG2-CD2 4.37Å |
| 380 | L | 67.2 | Low | 72.7 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -66.7 | 135.1 | 172.3 | -66 | 172.1 | 0 | 0 | 0 | 109.5 | S382 W383 | L380-S382 WeakPolarHBondContact CB-OG 3.44Å; L380-S382 PolarHBondContact O-N 2.49Å; L380-W383 HydrophobicContact CB-CD2 4.31Å; L380-W383 HydrophobicContact CB-CG 4.27Å; L380-W383 HydrophobicContact CD1-CZ2 4.26Å; L380-W383 WeakPolarHBondContact O-CB 3.47Å; L380-W383 PolarHBondContact O-N 2.64Å | ||
| 381 | P | 68.6 | Low | 73.3 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -52.9 | -27.5 | 172.8 | -28 | 35.1 | 0 | 0 | 0 | 113.4 | W383 L384 | P381-W383 PolarHBondContact O-N 2.68Å; P381-L384 PolarHBondContact O-N 3.23Å; P381-L384 VanDerWaalsContact O-N 3.14Å |
| 382 | S | 70.1 | Confident | 74.6 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -64.8 | -20.4 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | L380 L384 Q385 | L380-S382 WeakPolarHBondContact CB-OG 3.44Å; L380-S382 PolarHBondContact O-N 2.49Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-Q385 WeakPolarHBondContact O-CG 3.33Å |
| 383 | W | 74.7 | Confident | 76.2 | Confident | 136 Ų | 136 | 73.3 Ų | 73.3 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -80.6 | -16.2 | 175.7 | -63.1 | -5.9 | 0 | 0 | 0 | 112.6 | V117 D378 I379 L380 P381 Q385 | V117-W383 HydrophobicContact CG2-CE3 3.86Å; V117-W383 HydrophobicContact CG2-CZ3 4.22Å; D378-W383 WeakPolarHBondContact O-CH2 3.46Å; D378-W383 WeakPolarHBondContact O-CZ3 3.38Å; I379-W383 HydrophobicContact CG2-CE3 4.49Å; L380-W383 HydrophobicContact CB-CD2 4.31Å; L380-W383 HydrophobicContact CB-CG 4.27Å; L380-W383 HydrophobicContact CD1-CZ2 4.26Å; L380-W383 WeakPolarHBondContact O-CB 3.47Å; L380-W383 PolarHBondContact O-N 2.64Å; P381-W383 PolarHBondContact O-N 2.68Å; W383-Q385 VanDerWaalsContact C-N 3.26Å; W383-Q385 PolarHBondContact O-N 2.86Å; W383-Q385 VanDerWaalsContact O-N 3.09Å |
| 384 | L | 84.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | trans | -87.7 | 68.4 | 177.7 | -57.3 | -176.5 | 0 | 0 | 0 | 109.8 | P365 R367 Y370 L372 I379 P381 S382 | P365-L384 HydrophobicContact CG-CB 3.89Å; R367-L384 HydrophobicContact CG-CD1 4.47Å; Y370-L384 HydrophobicContact CD1-CD2 3.98Å; Y370-L384 HydrophobicContact CD2-CD1 3.99Å; Y370-L384 HydrophobicContact CD2-CD2 4.06Å; Y370-L384 HydrophobicContact CE1-CD2 3.61Å; Y370-L384 HydrophobicContact CE2-CD1 4.36Å; Y370-L384 HydrophobicContact CE2-CD2 3.73Å; Y370-L384 HydrophobicContact CG-CD1 4.16Å; Y370-L384 HydrophobicContact CG-CD2 4.18Å; Y370-L384 VanDerWaalsContact CZ-CD2 3.48Å; L372-L384 HydrophobicContact CD1-CD1 4.17Å; I379-L384 HydrophobicContact CG2-CD2 4.37Å; P381-L384 PolarHBondContact O-N 3.23Å; P381-L384 VanDerWaalsContact O-N 3.14Å; S382-L384 VanDerWaalsContact C-N 3.32Å | ||
| 385 | Q | 86 | Confident | 80.1 | Confident | 143 Ų | 143 | 72.4 Ų | 72.4 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | trans | -80.7 | 150.8 | 177.5 | -63.7 | -169.1 | -18 | 0 | 0 | 111.6 | S382 W383 | S382-Q385 WeakPolarHBondContact O-CG 3.33Å; W383-Q385 VanDerWaalsContact C-N 3.26Å; W383-Q385 PolarHBondContact O-N 2.86Å; W383-Q385 VanDerWaalsContact O-N 3.09Å | ||
| 386 | P | 91.3 | Very high | 82.4 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | trans | -57.4 | 147.5 | 167.9 | -20.7 | 32.3 | 0 | 0 | 0 | 111.4 | R362 D364 Y388 | R362-P386 HydrophobicContact CG-CB 3.91Å; D364-P386 WeakPolarHBondContact OD1-CB 3.45Å; D364-P386 WeakPolarHBondContact OD1-CG 3.4Å; P386-Y388 HydrophobicContact CB-CE2 4.09Å; P386-Y388 WeakPolarHBondContact O-CE2 3.24Å | ||
| 387 | T | 92.8 | Very high | 84.4 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 151.7 | 172.4 | 57.4 | 0 | 0 | 0 | 0 | 110 | P227 R362 V363 | P227-T387 WeakPolarHBondContact CD-OG1 3.4Å; R362-T387 WeakPolarHBondContact CA-O 3.44Å; V363-T387 PolarHBondContact N-O 2.77Å; V363-T387 PolarHBondContact O-N 2.73Å; V363-T387 PolarHBondContact O-OG1 3.09Å |
| 388 | Y | 95.3 | Very high | 86.2 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.4 | -175 | -57.7 | -88.2 | 0 | 0 | 0 | 110.4 | F264 F338 L339 I360 A361 R362 P386 | F264-Y388 HydrophobicContact CE2-CE1 4.22Å; F338-Y388 HydrophobicContact CD2-CD1 4.14Å; F338-Y388 AromaticContact CD2-CE1 3.69Å; F338-Y388 HydrophobicContact CD2-CE1 3.69Å; F338-Y388 AromaticContact CE2-CD1 3.65Å; F338-Y388 HydrophobicContact CE2-CD1 3.65Å; F338-Y388 AromaticContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CG 4.16Å; L339-Y388 HydrophobicContact CD2-CD2 4.34Å; L339-Y388 HydrophobicContact CD2-CE2 3.67Å; I360-Y388 HydrophobicContact CG2-CD1 3.89Å; I360-Y388 HydrophobicContact CG2-CG 4.42Å; A361-Y388 WeakPolarHBondContact O-CA 3.05Å; R362-Y388 HydrophobicContact CB-CD1 3.89Å; R362-Y388 HydrophobicContact CB-CE1 3.76Å; R362-Y388 HydrophobicContact CG-CD1 4.21Å; R362-Y388 HydrophobicContact CG-CE1 3.73Å; P386-Y388 HydrophobicContact CB-CE2 4.09Å; P386-Y388 WeakPolarHBondContact O-CE2 3.24Å |
| 389 | S | 96.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152 | 167.4 | -169.2 | 0 | 0 | 0 | 0 | 109 | P228 I231 I360 A361 | P228-S389 WeakPolarHBondContact O-CB 3.5Å; P228-S389 PolarHBondContact O-OG 2.99Å; I231-S389 VanDerWaalsContact CD1-C 3.47Å; I231-S389 VanDerWaalsContact CD1-O 3.3Å; I231-S389 WeakPolarHBondContact CD1-O 3.24Å; I360-S389 CarbonylContact C-O 3.23Å; I360-S389 WeakPolarHBondContact CA-O 3.45Å; A361-S389 PolarHBondContact N-O 2.82Å; A361-S389 PolarHBondContact O-N 3.43Å |
| 390 | F | 97.6 | Very high | 88.8 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136 | -169.7 | -56 | -98.9 | 0 | 0 | 0 | 109.3 | P282 A283 F358 L359 I360 | P282-F390 HydrophobicContact CB-CB 3.9Å; P282-F390 HydrophobicContact CB-CD1 4.27Å; P282-F390 HydrophobicContact CB-CG 4.36Å; A283-F390 HydrophobicContact CB-CD2 3.77Å; A283-F390 HydrophobicContact CB-CE2 3.88Å; A283-F390 HydrophobicContact CB-CG 4.32Å; A283-F390 HydrophobicContact CB-CZ 4.49Å; F358-F390 HydrophobicContact CD2-CD1 4.14Å; F358-F390 AromaticContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CE1 4.35Å; L359-F390 WeakPolarHBondContact O-CA 3.3Å; I360-F390 HydrophobicContact CB-CD1 4.47Å; I360-F390 HydrophobicContact CD1-CD1 4.29Å; I360-F390 HydrophobicContact CD1-CE1 4.03Å; I360-F390 HydrophobicContact CG1-CD1 3.86Å; I360-F390 HydrophobicContact CG1-CE1 4.05Å; I360-F390 HydrophobicContact CG2-CD1 4.12Å; I360-F390 HydrophobicContact CG2-CE1 3.92Å; I360-F390 HydrophobicContact CG2-CZ 4.4Å |
| 391 | S | 97.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | trans | -70.7 | 173.4 | 165.8 | 76 | 0 | 0 | 0 | 0 | 110.9 | P282 L359 | P282-S391 WeakPolarHBondContact CG-O 3.25Å; L359-S391 PolarHBondContact N-OG 2.92Å; L359-S391 PolarHBondContact O-N 2.84Å | ||
| 392 | G | 96.8 | Very high | 88.8 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | trans | -69.2 | 174.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T233 F358 | T233-G392 WeakPolarHBondContact CG2-O 3.42Å; T233-G392 WeakPolarHBondContact OG1-CA 3.46Å; T233-G392 PolarHBondContact OG1-N 2.89Å; F358-G392 WeakPolarHBondContact CB-O 3.23Å | ||
| 393 | Y | 96.8 | Very high | 87.8 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -73 | 134.3 | 171.5 | -67.3 | -65.5 | 0 | 0 | 0 | 111.7 | T233 I268 L279 P280 P282 I356 G357 F358 | T233-Y393 VanDerWaalsContact CG2-C 3.48Å; T233-Y393 WeakPolarHBondContact CG2-O 3.47Å; I268-Y393 HydrophobicContact CD1-CD1 4.4Å; I268-Y393 HydrophobicContact CD1-CE1 3.57Å; L279-Y393 HydrophobicContact CB-CE2 4.2Å; P280-Y393 WeakPolarHBondContact O-CE2 3.36Å; P280-Y393 PolarHBondContact O-OH 2.9Å; P282-Y393 HydrophobicContact CG-CD1 4.3Å; P282-Y393 HydrophobicContact CG-CD2 4.13Å; P282-Y393 HydrophobicContact CG-CE1 3.94Å; P282-Y393 HydrophobicContact CG-CE2 3.76Å; P282-Y393 HydrophobicContact CG-CG 4.38Å; I356-Y393 HydrophobicContact CD1-CD1 4.15Å; I356-Y393 HydrophobicContact CD1-CG 3.93Å; I356-Y393 HydrophobicContact CG1-CD1 4.12Å; I356-Y393 HydrophobicContact CG1-CG 4.3Å; G357-Y393 WeakPolarHBondContact O-CA 2.79Å; F358-Y393 HydrophobicContact CB-CD1 4.39Å; F358-Y393 AromaticContact CD1-CD1 3.7Å; F358-Y393 HydrophobicContact CD1-CD1 3.7Å; F358-Y393 AromaticContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CE1-CD1 4.47Å; F358-Y393 AromaticContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CG-CD1 4.44Å; F358-Y393 HydrophobicContact CG-CE1 4.33Å |
| 394 | F | 96.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 165.9 | 169.1 | 61.1 | -120.5 | 0 | 0 | 0 | 111.6 | T233 P234 A236 L265 I267 I356 G357 | T233-F394 HydrophobicContact CG2-CB 4.03Å; P234-F394 WeakPolarHBondContact O-CB 3.26Å; A236-F394 HydrophobicContact CB-CB 4.33Å; A236-F394 HydrophobicContact CB-CD1 4.1Å; A236-F394 HydrophobicContact CB-CD2 3.37Å; A236-F394 HydrophobicContact CB-CE1 4.18Å; A236-F394 HydrophobicContact CB-CE2 3.44Å; A236-F394 VanDerWaalsContact CB-CE2 3.44Å; A236-F394 HydrophobicContact CB-CG 3.71Å; A236-F394 HydrophobicContact CB-CZ 3.86Å; L265-F394 HydrophobicContact CD1-CE1 4.39Å; I267-F394 HydrophobicContact CD1-CE1 3.98Å; I267-F394 HydrophobicContact CD1-CZ 3.75Å; I356-F394 VanDerWaalsContact C-CE2 3.46Å; I356-F394 VanDerWaalsContact CA-CE2 3.44Å; I356-F394 HydrophobicContact CG1-CD2 4.42Å; I356-F394 VanDerWaalsContact CG1-O 3.25Å; I356-F394 WeakPolarHBondContact CG1-O 3.18Å; G357-F394 VanDerWaalsContact CA-CZ 3.48Å; G357-F394 VanDerWaalsContact N-CE2 3.32Å; G357-F394 WeakPolarHBondContact O-CD1 3.25Å; G357-F394 WeakPolarHBondContact O-CG 3.39Å; G357-F394 PolarHBondContact O-N 2.83Å |
| 395 | K | 93.8 | Very high | 84.6 | Confident | 178 Ų | 178 | 62 Ų | 62 | 77% | 0.774 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 133.9 | 178.2 | -72.9 | -174.5 | -180 | 179.2 | 0 | 110.9 | V397 | K395-V397 PolarHBondContact O-N 2.86Š|
| 396 | P | 93.2 | Very high | 82 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 133.7 | 179.6 | -22.6 | 30 | 0 | 0 | 0 | 112.4 | F276 Y355 I356 | F276-P396 HydrophobicContact CD1-CG 3.78Å; F276-P396 HydrophobicContact CD2-CG 3.81Å; F276-P396 HydrophobicContact CE1-CB 3.79Å; F276-P396 HydrophobicContact CE1-CG 3.37Å; F276-P396 HydrophobicContact CE2-CB 4Å; F276-P396 HydrophobicContact CE2-CG 3.41Å; F276-P396 VanDerWaalsContact CE2-CG 3.41Å; F276-P396 HydrophobicContact CG-CG 3.98Å; F276-P396 HydrophobicContact CZ-CB 3.41Å; F276-P396 VanDerWaalsContact CZ-CB 3.41Å; F276-P396 HydrophobicContact CZ-CG 3.17Å; Y355-P396 CarbonylContact O-C 3.53Å; Y355-P396 WeakPolarHBondContact O-CA 3.29Å; I356-P396 HydrophobicContact CD1-CG 4.15Å |
| 397 | V | 94.5 | Very high | 79.4 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | A236 R238 I245 K354 Y355 K395 L399 | A236-V397 HydrophobicContact CB-CG2 3.59Å; R238-V397 HydrophobicContact CB-CG1 4.12Å; I245-V397 HydrophobicContact CD1-CB 4.19Å; I245-V397 HydrophobicContact CD1-CG1 4.4Å; I245-V397 HydrophobicContact CG1-CB 4.29Å; I245-V397 HydrophobicContact CG1-CG1 4Å; I245-V397 HydrophobicContact CG2-CB 4.39Å; I245-V397 HydrophobicContact CG2-CG1 4.43Å; I245-V397 HydrophobicContact CG2-CG2 4.06Å; K354-V397 CarbonylContact C-O 3.17Å; K354-V397 WeakPolarHBondContact CA-O 3.27Å; Y355-V397 PolarHBondContact N-O 2.9Å; Y355-V397 PolarHBondContact O-N 3.5Å; K395-V397 PolarHBondContact O-N 2.86Å; V397-L399 HydrophobicContact CG1-CD2 4.15Å |
| 398 | Y | 92.8 | Very high | 76.6 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.1 | 175 | 177.9 | -111.7 | 0 | 0 | 0 | 110.2 | L272 Y353 K354 G400 | L272-Y398 HydrophobicContact CD2-CD2 3.68Å; L272-Y398 HydrophobicContact CD2-CE2 3.42Å; L272-Y398 VanDerWaalsContact CD2-CE2 3.42Å; L272-Y398 HydrophobicContact CG-CE2 4.3Å; Y353-Y398 WeakPolarHBondContact O-CD2 3.13Å; K354-Y398 HydrophobicContact CG-CD2 4.17Å; Y398-G400 WeakPolarHBondContact CE1-O 3.06Å |
| 399 | L | 92.6 | Very high | 73.6 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 103.3 | 175.7 | -60.6 | -173 | 0 | 0 | 0 | 109.2 | R238 T244 I245 L349 R351 G352 Y353 Y355 V397 | R238-L399 HydrophobicContact CB-CD2 4.48Å; R238-L399 HydrophobicContact CG-CD2 3.95Å; T244-L399 WeakPolarHBondContact O-CD2 3.27Å; I245-L399 HydrophobicContact CG1-CD1 4.27Å; I245-L399 HydrophobicContact CG1-CD2 4.01Å; I245-L399 HydrophobicContact CG1-CG 4.43Å; L349-L399 HydrophobicContact CB-CD1 3.49Å; L349-L399 VanDerWaalsContact CB-CD1 3.49Å; L349-L399 HydrophobicContact CD1-CD1 3.75Å; L349-L399 HydrophobicContact CG-CD1 4.28Å; R351-L399 CarbonylContact C-O 3.58Å; R351-L399 WeakPolarHBondContact CA-O 3.38Å; G352-L399 PolarHBondContact N-O 2.87Å; Y353-L399 PolarHBondContact O-N 2.84Å; Y355-L399 HydrophobicContact CD2-CD1 3.81Å; Y355-L399 HydrophobicContact CD2-CG 3.84Å; Y355-L399 HydrophobicContact CE2-CB 4.22Å; Y355-L399 HydrophobicContact CE2-CD1 3.5Å; Y355-L399 VanDerWaalsContact CE2-CD1 3.5Å; Y355-L399 HydrophobicContact CE2-CG 3.8Å; V397-L399 HydrophobicContact CG1-CD2 4.15Å |
| 400 | G | 86.2 | Confident | 72.5 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 6% | 0.062 | 46% | 0.457 | C | S | . | . | S | Bend | trans | 142.5 | -175.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R238 Y398 A402 | R238-G400 PolarHBondContact NH1-O 3.39Å; Y398-G400 WeakPolarHBondContact CE1-O 3.06Å; G400-A402 PolarHBondContact O-N 3.15Å |
| 401 | D | 77.6 | Confident | 71.1 | Confident | 88 Ų | 88 | 80.7 Ų | 80.7 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | trans | -83.1 | 115.9 | -178.9 | -69.8 | -26.9 | 0 | 0 | 0 | 111.4 | S403 | D401-S403 PolarHBondContact O-N 3.37Š| ||
| 402 | A | 57.7 | Low | 69.7 | Low | 78 Ų | 78 | 84.9 Ų | 84.9 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -67.3 | -19.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G400 | G400-A402 PolarHBondContact O-N 3.15Š|
| 403 | S | 49.9 | Very low | 68.1 | Low | 90 Ų | 90 | 88 Ų | 88 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -76.3 | -13.6 | -176.3 | 46.9 | 0 | 0 | 0 | 0 | 115 | D401 H405 | D401-S403 PolarHBondContact O-N 3.37Å; S403-H405 PolarHBondContact O-N 3.18Å |
| 404 | E | 48.5 | Very low | 66.3 | Low | 154 Ų | 154 | 90 Ų | 90 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -79.2 | -2.4 | 176.5 | -75.1 | -167.6 | 155.4 | 0 | 0 | 113.8 | ||
| 405 | H | 41.8 | Very low | 64.3 | Low | 144 Ų | 144 | 95.7 Ų | 95.7 | 67% | 0.667 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -132.2 | 12.7 | -177.4 | -79 | 63.9 | 0 | 0 | 0 | 115.4 | S403 P407 | S403-H405 PolarHBondContact O-N 3.18Å; H405-P407 VanDerWaalsContact O-CD 3.24Å; H405-P407 WeakPolarHBondContact O-CD 3.01Å |
| 406 | L | 33.1 | Very low | 62.1 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -73.1 | 115 | 151.2 | -78.8 | 163.1 | 0 | 0 | 0 | 105.2 | S408 | L406-S408 PolarHBondContact O-N 3.33Š|
| 407 | P | 35.8 | Very low | 59.8 | Low | 123 Ų | 123 | 92.7 Ų | 92.7 | 80% | 0.799 | 55% | 0.551 | S | S | * | * | trans | -56.1 | 110.8 | 170 | 22.3 | -29.3 | 0 | 0 | 0 | 106.6 | H405 C409 | H405-P407 VanDerWaalsContact O-CD 3.24Å; H405-P407 WeakPolarHBondContact O-CD 3.01Å; P407-C409 PolarHBondContact O-N 3.49Å; P407-C409 VanDerWaalsContact O-N 3.12Å | ||
| 408 | S | 34.7 | Very low | 56.9 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 79% | 0.79 | 59% | 0.593 | S | S | * | * | trans | -57.2 | 113.6 | 165.5 | 43.1 | 0 | 0 | 0 | 0 | 106.9 | L406 | L406-S408 PolarHBondContact O-N 3.33Š| ||
| 409 | C | 31.8 | Very low | 53.6 | Low | 205 Ų | 205 | 103.5 Ų | 103.5 | 100% | 1.385 | 63% | 0.626 | S | S | * | * | trans | 22.2 | 0 | 165 | -65.1 | 0 | 0 | 0 | 0 | 119 | P407 | P407-C409 PolarHBondContact O-N 3.49Å; P407-C409 VanDerWaalsContact O-N 3.12Å |
Retrieved 409 of 409 residues in 407.1 ms
(Link to these results)