| 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 | 44.6 | Very low | 79.7 | Confident | 244 Ų | 244 | 108.4 Ų | 108.4 | 100% | 1.202 | 54% | 0.537 | S | S | * | . | 0 | 121.4 | 0 | -75.7 | 176.8 | 176 | 0 | 0 | 108.4 | K3 | M1-K3 PolarHBondContact O-N 2.99Š| |||
| 2 | A | 55.8 | Low | 81.2 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 84% | 0.843 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 119.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | K4 | A2-K4 PolarHBondContact O-N 3.32Š|
| 3 | K | 59.4 | Low | 82.4 | Confident | 199 Ų | 199 | 91.8 Ų | 91.8 | 87% | 0.865 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 124.1 | 177.9 | -159.2 | 174.3 | -175.7 | 178.6 | 0 | 107.6 | M1 Q5 | M1-K3 PolarHBondContact O-N 2.99Å; K3-Q5 PolarHBondContact O-N 3.06Å; K3-Q5 VanDerWaalsContact O-N 3.11Å |
| 4 | K | 67.4 | Low | 83.4 | Confident | 167 Ų | 167 | 85.3 Ų | 85.3 | 73% | 0.726 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 123 | 175 | -86 | -174.8 | 176.3 | 178.7 | 0 | 107.8 | A2 Y6 | A2-K4 PolarHBondContact O-N 3.32Å; K4-Y6 PolarHBondContact O-N 3.44Å |
| 5 | Q | 84.1 | Confident | 84.2 | Confident | 161 Ų | 161 | 79.6 Ų | 79.6 | 75% | 0.752 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -72.2 | -3.5 | -178.7 | -73.9 | -178 | -12 | 0 | 0 | 113.4 | K3 | K3-Q5 PolarHBondContact O-N 3.06Å; K3-Q5 VanDerWaalsContact O-N 3.11Å |
| 6 | Y | 89.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -146 | 153.6 | -178.5 | 65.2 | -89.2 | 0 | 0 | 0 | 109.9 | K4 L8 L9 K59 | K4-Y6 PolarHBondContact O-N 3.44Å; Y6-L8 WeakPolarHBondContact CD2-O 3.39Å; Y6-L9 HydrophobicContact CE2-CB 3.85Å; Y6-L9 HydrophobicContact CE2-CD1 4.42Å; Y6-K59 HydrophobicContact CD1-CB 4.2Å; Y6-K59 HydrophobicContact CD1-CD 3.89Å; Y6-K59 VanDerWaalsContact CD1-CE 3.44Å; Y6-K59 HydrophobicContact CD2-CB 4.06Å; Y6-K59 HydrophobicContact CE1-CD 3.99Å; Y6-K59 HydrophobicContact CG-CB 3.8Å; Y6-K59 HydrophobicContact CG-CD 4.37Å | ||
| 7 | D | 92.7 | Very high | 85.5 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -87.8 | -41.9 | 177.4 | -58.2 | -64.3 | 0 | 0 | 0 | 111.1 | K56 K57 | D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 HydrophobicContact CB-CD 4.12Å; D7-K56 WeakPolarHBondContact OD2-CA 3.33Å; D7-K57 PolarHBondContact N-O 3Å; D7-K57 PolarHBondContact OD2-N 3.26Å |
| 8 | L | 94.6 | Very high | 85.9 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.3 | -174 | -57.7 | 176.8 | 0 | 0 | 0 | 112.1 | Y6 F10 K56 K57 I58 K59 Y171 W175 | Y6-L8 WeakPolarHBondContact CD2-O 3.39Å; L8-F10 HydrophobicContact CB-CE1 4.07Å; L8-F10 HydrophobicContact CD1-CE1 4.22Å; L8-F10 HydrophobicContact CD1-CZ 4.07Å; L8-K56 HydrophobicContact CD1-CB 4.5Å; L8-K57 PolarHBondContact N-O 3.14Å; L8-I58 HydrophobicContact CB-CG1 4.2Å; L8-I58 HydrophobicContact CB-CG2 4.2Å; L8-I58 HydrophobicContact CD1-CD1 4.18Å; L8-I58 HydrophobicContact CD1-CG1 4.23Å; L8-I58 WeakPolarHBondContact O-CA 2.8Å; L8-K59 PolarHBondContact O-N 2.8Å; L8-Y171 HydrophobicContact CD1-CD2 3.63Å; L8-Y171 HydrophobicContact CD1-CE2 3.73Å; L8-W175 HydrophobicContact CD2-CZ2 3.54Å; L8-W175 VanDerWaalsContact CD2-NE1 3.32Å |
| 9 | L | 95.2 | Very high | 86.3 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.6 | 176.2 | -175.4 | 73.8 | 0 | 0 | 0 | 109 | Y6 K59 Q61 | Y6-L9 HydrophobicContact CE2-CB 3.85Å; Y6-L9 HydrophobicContact CE2-CD1 4.42Å; L9-K59 WeakPolarHBondContact CA-O 3.39Å; L9-K59 HydrophobicContact CD1-CB 3.89Å; L9-K59 HydrophobicContact CD1-CD 3.91Å; L9-K59 HydrophobicContact CD1-CG 3.81Å; L9-Q61 HydrophobicContact CD1-CG 3.73Å; L9-Q61 HydrophobicContact CG-CG 4.42Å |
| 10 | F | 97.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.8 | 175.8 | -64 | -12.7 | 0 | 0 | 0 | 111 | L8 I58 K59 L60 Q61 M83 A167 I170 Y171 | L8-F10 HydrophobicContact CB-CE1 4.07Å; L8-F10 HydrophobicContact CD1-CE1 4.22Å; L8-F10 HydrophobicContact CD1-CZ 4.07Å; F10-I58 HydrophobicContact CB-CG2 4.32Å; F10-I58 HydrophobicContact CD1-CG2 4.19Å; F10-I58 HydrophobicContact CD2-CD1 4.44Å; F10-I58 HydrophobicContact CD2-CG2 3.48Å; F10-I58 VanDerWaalsContact CD2-CG2 3.48Å; F10-I58 HydrophobicContact CE1-CG2 4.38Å; F10-I58 HydrophobicContact CE2-CD1 3.68Å; F10-I58 HydrophobicContact CE2-CG2 3.71Å; F10-I58 HydrophobicContact CG-CG2 3.72Å; F10-I58 HydrophobicContact CZ-CD1 3.97Å; F10-I58 HydrophobicContact CZ-CG2 4.15Å; F10-K59 PolarHBondContact N-O 3.11Å; F10-L60 HydrophobicContact CB-CD2 3.83Å; F10-L60 HydrophobicContact CD2-CD2 4.05Å; F10-L60 HydrophobicContact CG-CD2 4.36Å; F10-Q61 PolarHBondContact O-N 2.93Å; F10-M83 HydrophobicContact CB-SD 4.28Å; F10-M83 HydrophobicContact CD1-CE 3.6Å; F10-M83 HydrophobicContact CD1-SD 3.85Å; F10-M83 HydrophobicContact CE1-CE 3.91Å; F10-M83 HydrophobicContact CG-CE 4.46Å; F10-M83 HydrophobicContact CG-SD 4.4Å; F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 HydrophobicContact CE2-CB 4.44Å; F10-A167 WeakPolarHBondContact CE2-O 3.45Å; F10-I170 HydrophobicContact CD1-CG2 3.92Å; F10-I170 HydrophobicContact CD2-CB 4.11Å; F10-I170 HydrophobicContact CD2-CD1 4.32Å; F10-I170 HydrophobicContact CD2-CG2 3.84Å; F10-I170 HydrophobicContact CE1-CG2 3.86Å; F10-I170 HydrophobicContact CE2-CB 3.95Å; F10-I170 HydrophobicContact CE2-CG2 3.75Å; F10-I170 HydrophobicContact CG-CG2 3.94Å; F10-I170 HydrophobicContact CZ-CB 4.36Å; F10-I170 HydrophobicContact CZ-CG2 3.78Å; F10-Y171 HydrophobicContact CZ-CD2 4.47Å |
| 11 | K | 96.2 | Very high | 87.2 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 39% | 0.391 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.3 | 176 | -68.2 | 178.9 | -179.9 | -179.5 | 0 | 109.5 | Q61 G81 M83 G84 | K11-Q61 WeakPolarHBondContact CA-O 3.08Å; K11-Q61 HydrophobicContact CG-CB 4.3Å; K11-G81 WeakPolarHBondContact CD-O 3.37Å; K11-M83 PolarHBondContact O-N 3.14Å; K11-G84 PolarHBondContact O-N 2.85Å |
| 12 | L | 97.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.5 | 178.4 | -53.8 | -174.4 | 0 | 0 | 0 | 110 | L60 Q61 I62 W63 G84 F163 L166 I170 | L12-L60 HydrophobicContact CD1-CD1 4.17Å; L12-L60 HydrophobicContact CD1-CD2 4.26Å; L12-Q61 PolarHBondContact N-O 3.01Å; L12-I62 HydrophobicContact CB-CG1 4.31Å; L12-I62 HydrophobicContact CB-CG2 4.35Å; L12-I62 HydrophobicContact CD1-CG1 4.29Å; L12-I62 WeakPolarHBondContact O-CA 3.45Å; L12-W63 PolarHBondContact O-N 3.2Å; L12-G84 VanDerWaalsContact CA-O 3.28Å; L12-G84 WeakPolarHBondContact CA-O 3.35Å; L12-F163 HydrophobicContact CD1-CD1 3.9Å; L12-F163 HydrophobicContact CD1-CE1 4.33Å; L12-L166 HydrophobicContact CD1-CD2 4.44Å; L12-L166 HydrophobicContact CD2-CD2 3.97Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; L12-I170 HydrophobicContact CD2-CD1 3.47Å; L12-I170 VanDerWaalsContact CD2-CD1 3.47Å |
| 13 | L | 96.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.5 | 176.8 | -168.5 | 67.2 | 0 | 0 | 0 | 110 | I15 W63 T65 Y79 A82 G84 I85 I86 | L13-I15 HydrophobicContact CD2-CG2 3.67Å; L13-I15 HydrophobicContact CG-CG2 3.74Å; L13-W63 HydrophobicContact CD1-CB 3.62Å; L13-T65 HydrophobicContact CD1-CG2 3.4Å; L13-T65 VanDerWaalsContact CD1-CG2 3.4Å; L13-T65 HydrophobicContact CG-CG2 4.08Å; L13-Y79 HydrophobicContact CD2-CD1 4.38Å; L13-Y79 HydrophobicContact CD2-CD2 4.3Å; L13-Y79 HydrophobicContact CD2-CG 4.27Å; L13-A82 HydrophobicContact CB-CB 4.34Å; L13-G84 PolarHBondContact N-O 3.32Å; L13-I85 HydrophobicContact CB-CG1 4.2Å; L13-I85 WeakPolarHBondContact O-CA 3.48Å; L13-I86 PolarHBondContact O-N 3.01Å |
| 14 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.8 | 169.5 | -52.9 | -177.3 | 0 | 0 | 0 | 109.1 | K22 L26 I62 W63 D64 T65 I86 F163 | L14-K22 HydrophobicContact CB-CB 4.21Å; L14-K22 HydrophobicContact CB-CD 4.38Å; L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 WeakPolarHBondContact CD1-O 3.25Å; L14-L26 HydrophobicContact CD1-CB 3.86Å; L14-L26 HydrophobicContact CD1-CD1 4.4Å; L14-I62 HydrophobicContact CD1-CG2 4.26Å; L14-I62 HydrophobicContact CD2-CG2 4.35Å; L14-I62 HydrophobicContact CG-CG2 4.03Å; L14-W63 PolarHBondContact N-O 3.37Å; L14-D64 HydrophobicContact CD1-CB 4.37Å; L14-T65 PolarHBondContact O-N 3.25Å; L14-T65 PolarHBondContact O-OG1 2.93Å; L14-I86 WeakPolarHBondContact CA-O 3.49Å; L14-I86 HydrophobicContact CD2-CB 3.61Å; L14-I86 HydrophobicContact CD2-CD1 3.74Å; L14-I86 HydrophobicContact CD2-CG1 4.08Å; L14-I86 HydrophobicContact CD2-CG2 4.06Å; L14-F163 HydrophobicContact CD2-CE1 4.35Å; L14-F163 HydrophobicContact CD2-CZ 4.19Å |
| 15 | I | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 167.5 | 178.1 | 67.1 | 165.5 | 0 | 0 | 0 | 111.6 | L13 K22 T75 Y79 I85 I86 L87 V88 W103 I107 | L13-I15 HydrophobicContact CD2-CG2 3.67Å; L13-I15 HydrophobicContact CG-CG2 3.74Å; I15-K22 WeakPolarHBondContact O-CD 3.42Å; I15-T75 HydrophobicContact CG2-CG2 4.19Å; I15-Y79 HydrophobicContact CD1-CE1 4.07Å; I15-I85 HydrophobicContact CD1-CG2 3.72Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.47Å; I15-I86 PolarHBondContact N-O 2.9Å; I15-L87 HydrophobicContact CD1-CB 4.48Å; I15-L87 HydrophobicContact CD1-CD1 4.12Å; I15-L87 HydrophobicContact CG1-CB 4.15Å; I15-L87 HydrophobicContact CG1-CD1 3.86Å; I15-V88 PolarHBondContact O-N 3.25Å; I15-W103 HydrophobicContact CB-CE3 4.13Å; I15-W103 HydrophobicContact CB-CZ3 4.19Å; I15-W103 HydrophobicContact CD1-CB 4.32Å; I15-W103 HydrophobicContact CD1-CE3 3.97Å; I15-W103 HydrophobicContact CG1-CE3 4.44Å; I15-I107 HydrophobicContact CD1-CD1 3.76Å; I15-I107 HydrophobicContact CD1-CG1 3.73Å |
| 16 | G | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 131.2 | 171 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K22 G67 W103 | G16-K22 PolarHBondContact O-NZ 3.12Å; G16-G67 VanDerWaalsContact O-CA 3.22Å; G16-G67 WeakPolarHBondContact O-CA 3.46Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å |
| 17 | D | 94.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | trans | -57.6 | 162.1 | -175.9 | -79.2 | 16.9 | 0 | 0 | 0 | 113.2 | V20 K22 N99 W103 | D17-V20 HydrophobicContact CB-CG1 3.83Å; D17-V20 VanDerWaalsContact O-CG2 3.26Å; D17-V20 WeakPolarHBondContact O-CG2 3.24Å; D17-K22 PolarHBondContact O-NZ 3.18Å; D17-N99 PolarHBondContact OD2-ND2 3.17Å; D17-W103 PolarHBondContact OD1-NE1 2.89Å | ||
| 18 | S | 92.9 | Very high | 95.9 | Very high | 43 Ų | 43 | 22.5 Ų | 22.5 | 30% | 0.301 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 142.4 | 170.6 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | V20 G67 | S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact O-N 2.93Å; S18-G67 PolarHBondContact N-O 2.93Å |
| 19 | G | 93.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 21.6 Ų | 21.6 | 24% | 0.237 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -4.3 | 176 | 0 | 0 | 0 | 0 | 0 | 116.6 | G21 F38 K123 | G19-G21 PolarHBondContact O-N 2.91Å; G19-F38 VanDerWaalsContact CA-CE2 3.47Å; G19-K123 PolarHBondContact O-NZ 3.33Å |
| 20 | V | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -72 | -16.4 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | D17 S18 K22 V88 D90 N122 | D17-V20 HydrophobicContact CB-CG1 3.83Å; D17-V20 VanDerWaalsContact O-CG2 3.26Å; D17-V20 WeakPolarHBondContact O-CG2 3.24Å; S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact O-N 2.93Å; V20-K22 HydrophobicContact CG2-CD 4.31Å; V20-K22 HydrophobicContact CG2-CG 3.64Å; V20-V88 HydrophobicContact CB-CG1 4.2Å; V20-V88 HydrophobicContact CG2-CB 3.84Å; V20-V88 HydrophobicContact CG2-CG1 3.8Å; V20-D90 HydrophobicContact CB-CB 4.21Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; V20-N122 PolarHBondContact O-ND2 3.34Å |
| 21 | G | 96.3 | Very high | 96 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 102.7 | 21.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G19 T23 C24 I25 | G19-G21 PolarHBondContact O-N 2.91Å; G21-T23 PolarHBondContact O-N 3.04Å; G21-C24 WeakPolarHBondContact O-CB 3.21Å; G21-C24 PolarHBondContact O-N 3.02Å; G21-C24 VanDerWaalsContact O-N 3.1Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.13Å |
| 22 | K | 95.6 | Very high | 96 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.1 | -50.8 | 176.8 | -55.9 | -173.2 | -60.9 | -76.2 | 0 | 112.8 | L14 I15 G16 D17 V20 C24 I25 L26 D64 T65 V88 | L14-K22 HydrophobicContact CB-CB 4.21Å; L14-K22 HydrophobicContact CB-CD 4.38Å; L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 WeakPolarHBondContact CD1-O 3.25Å; I15-K22 WeakPolarHBondContact O-CD 3.42Å; G16-K22 PolarHBondContact O-NZ 3.12Å; D17-K22 PolarHBondContact O-NZ 3.18Å; V20-K22 HydrophobicContact CG2-CD 4.31Å; V20-K22 HydrophobicContact CG2-CG 3.64Å; K22-C24 PolarHBondContact O-N 3.23Å; K22-I25 WeakPolarHBondContact O-CB 3.08Å; K22-I25 PolarHBondContact O-N 3.01Å; K22-L26 PolarHBondContact O-N 2.97Å; K22-D64 WeakPolarHBondContact CB-OD1 3.23Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; K22-T65 PolarHBondContact NZ-O 3.41Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.11Å |
| 23 | T | 95 | Very high | 95.8 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 25% | 0.245 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 175.4 | -42.6 | 0 | 0 | 0 | 0 | 111.3 | G21 I25 L26 Y27 T41 D64 | G21-T23 PolarHBondContact O-N 3.04Å; T23-I25 VanDerWaalsContact C-N 3.32Å; T23-I25 PolarHBondContact O-N 2.69Å; T23-L26 WeakPolarHBondContact O-CB 3.43Å; T23-L26 PolarHBondContact O-N 2.8Å; T23-L26 VanDerWaalsContact O-N 3.15Å; T23-Y27 HydrophobicContact CG2-CD2 3.73Å; T23-Y27 HydrophobicContact CG2-CE2 3.63Å; T23-Y27 VanDerWaalsContact O-CD2 3.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.43Å; T23-Y27 PolarHBondContact O-N 3.48Å; T23-T41 PolarHBondContact OG1-OG1 3.1Å; T23-D64 WeakPolarHBondContact CA-OD2 3.48Å; T23-D64 VanDerWaalsContact CB-OD2 3.32Å; T23-D64 WeakPolarHBondContact CB-OD2 3.38Å; T23-D64 PolarHBondContact OG1-OD2 3.24Å |
| 24 | C | 96.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 177 | -55.5 | 0 | 0 | 0 | 0 | 112 | G21 K22 R28 F34 A153 | G21-C24 WeakPolarHBondContact O-CB 3.21Å; G21-C24 PolarHBondContact O-N 3.02Å; G21-C24 VanDerWaalsContact O-N 3.1Å; K22-C24 PolarHBondContact O-N 3.23Å; C24-R28 WeakPolarHBondContact O-CB 3.46Å; C24-R28 PolarHBondContact O-N 3.22Å; C24-F34 HydrophobicContact CB-CD2 4.09Å; C24-F34 HydrophobicContact CB-CE2 3.97Å; C24-A153 HydrophobicContact CB-CB 3.62Å |
| 25 | I | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.6 | -69.4 | 168.7 | 0 | 0 | 0 | 110.3 | G21 K22 T23 Y27 R28 F29 V88 L120 N122 A153 I159 F163 | G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.13Å; K22-I25 WeakPolarHBondContact O-CB 3.08Å; K22-I25 PolarHBondContact O-N 3.01Å; T23-I25 VanDerWaalsContact C-N 3.32Å; T23-I25 PolarHBondContact O-N 2.69Å; I25-Y27 PolarHBondContact O-N 3.35Å; I25-R28 PolarHBondContact O-N 3.39Å; I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 PolarHBondContact O-N 3.38Å; I25-V88 HydrophobicContact CD1-CG1 3.74Å; I25-V88 HydrophobicContact CD1-CG2 4.05Å; I25-L120 HydrophobicContact CD1-CD1 4.26Å; I25-N122 HydrophobicContact CD1-CB 4.1Å; I25-A153 HydrophobicContact CG1-CB 4.05Å; I25-I159 HydrophobicContact CB-CD1 4.43Å; I25-I159 HydrophobicContact CG1-CD1 3.99Å; I25-I159 HydrophobicContact CG2-CD1 4.19Å; I25-F163 HydrophobicContact CG2-CE2 3.66Å; I25-F163 HydrophobicContact CG2-CZ 3.95Å |
| 26 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | 178.7 | 180 | 63.2 | 0 | 0 | 0 | 111.7 | L14 K22 T23 F29 C30 K47 I62 D64 | L14-L26 HydrophobicContact CD1-CB 3.86Å; L14-L26 HydrophobicContact CD1-CD1 4.4Å; K22-L26 PolarHBondContact O-N 2.97Å; T23-L26 WeakPolarHBondContact O-CB 3.43Å; T23-L26 PolarHBondContact O-N 2.8Å; T23-L26 VanDerWaalsContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 3.23Å; L26-C30 WeakPolarHBondContact O-CB 3.31Å; L26-C30 PolarHBondContact O-N 3.1Å; L26-C30 PolarHBondContact O-SG 3.06Å; L26-K47 HydrophobicContact CD1-CB 4.01Å; L26-K47 HydrophobicContact CD1-CG 4.3Å; L26-K47 HydrophobicContact CD2-CB 4.28Å; L26-K47 HydrophobicContact CD2-CG 3.86Å; L26-K47 HydrophobicContact CG-CB 4.31Å; L26-K47 HydrophobicContact CG-CG 4.03Å; L26-I62 HydrophobicContact CD1-CB 3.68Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å; L26-I62 HydrophobicContact CD1-CG2 3.45Å; L26-I62 VanDerWaalsContact CD1-CG2 3.45Å; L26-D64 HydrophobicContact CD2-CB 3.66Å |
| 27 | Y | 95.7 | Very high | 93.8 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.5 | -35.9 | -177.7 | -81.5 | -99.6 | 0 | 0 | 0 | 112 | T23 I25 F29 C30 D31 D32 A33 D45 | T23-Y27 HydrophobicContact CG2-CD2 3.73Å; T23-Y27 HydrophobicContact CG2-CE2 3.63Å; T23-Y27 VanDerWaalsContact O-CD2 3.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.43Å; T23-Y27 PolarHBondContact O-N 3.48Å; I25-Y27 PolarHBondContact O-N 3.35Å; Y27-F29 VanDerWaalsContact C-N 3.33Å; Y27-F29 PolarHBondContact O-N 2.66Å; Y27-C30 PolarHBondContact O-N 2.91Å; Y27-D31 VanDerWaalsContact CD1-OD2 3.27Å; Y27-D31 WeakPolarHBondContact CD1-OD2 3.47Å; Y27-D31 WeakPolarHBondContact O-CA 3.44Å; Y27-D31 PolarHBondContact O-N 3.06Å; Y27-D32 PolarHBondContact O-N 3.46Å; Y27-A33 CarbonylContact C-O 3.4Å; Y27-A33 PolarHBondContact O-N 3.45Å; Y27-D45 WeakPolarHBondContact CE2-OD2 3.28Å; Y27-D45 PolarHBondContact OH-OD2 3.38Å |
| 28 | R | 97.5 | Very high | 93 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.6 | 176.5 | 55.8 | 74.9 | -168.1 | 4.7 | 111.1 | C24 I25 D32 A33 A153 K154 K156 I159 | C24-R28 WeakPolarHBondContact O-CB 3.46Å; C24-R28 PolarHBondContact O-N 3.22Å; I25-R28 PolarHBondContact O-N 3.39Å; R28-D32 WeakPolarHBondContact CD-OD1 3.12Å; R28-D32 IonicContact CZ-OD1 2.93Å; R28-D32 VanDerWaalsContact NH1-C 3.29Å; R28-D32 PolarHBondContact NH1-O 3.27Å; R28-D32 IonicContact NH1-OD1 2.77Å; R28-D32 PolarHBondContact NH1-OD1 3.41Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 2.96Å; R28-D32 PolarHBondContact O-N 2.87Å; R28-A33 VanDerWaalsContact CA-O 3.32Å; R28-A33 WeakPolarHBondContact CA-O 3.44Å; R28-A33 PolarHBondContact N-O 3.43Å; R28-A33 VanDerWaalsContact N-O 3.16Å; R28-A153 HydrophobicContact CB-CB 4.47Å; R28-A153 WeakPolarHBondContact CG-O 3.39Å; R28-A153 PolarHBondContact NE-O 2.9Å; R28-K154 PolarHBondContact NH2-O 2.77Å; R28-K156 HydrophobicContact CG-CB 4.3Å; R28-K156 HydrophobicContact CG-CG 4.07Å; R28-I159 HydrophobicContact CB-CG2 4.36Å; R28-I159 HydrophobicContact CG-CB 4.23Å; R28-I159 HydrophobicContact CG-CG1 3.9Å; R28-I159 HydrophobicContact CG-CG2 3.96Å |
| 29 | F | 98.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.3 | -46.8 | 177.4 | 178.8 | -116.6 | 0 | 0 | 0 | 112.1 | I25 L26 Y27 K49 I51 L60 I62 I159 D160 F163 Y164 | I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 PolarHBondContact O-N 3.38Å; L26-F29 PolarHBondContact O-N 3.23Å; Y27-F29 VanDerWaalsContact C-N 3.33Å; Y27-F29 PolarHBondContact O-N 2.66Å; F29-K49 HydrophobicContact CD1-CD 4.07Å; F29-K49 HydrophobicContact CE1-CB 4.12Å; F29-K49 HydrophobicContact CE1-CD 3.73Å; F29-K49 HydrophobicContact CE1-CG 4.03Å; F29-K49 HydrophobicContact CE2-CD 4.45Å; F29-K49 HydrophobicContact CZ-CD 3.95Å; F29-K49 HydrophobicContact CZ-CG 4.3Å; F29-K49 WeakPolarHBondContact O-CD 3.39Å; F29-K49 WeakPolarHBondContact O-CE 3.5Å; F29-K49 PolarHBondContact O-NZ 3.22Å; F29-I51 HydrophobicContact CZ-CG2 3.95Å; F29-L60 HydrophobicContact CE1-CD1 3.92Å; F29-L60 HydrophobicContact CZ-CD1 4.07Å; F29-I62 HydrophobicContact CD1-CD1 3.74Å; F29-I62 HydrophobicContact CE1-CD1 3.79Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; F29-I159 HydrophobicContact CD2-CG2 4.45Å; F29-D160 VanDerWaalsContact CD2-OD1 3.3Å; F29-D160 WeakPolarHBondContact CD2-OD1 3.4Å; F29-D160 WeakPolarHBondContact CE2-OD1 3.46Å; F29-F163 HydrophobicContact CB-CD2 3.73Å; F29-F163 HydrophobicContact CB-CE2 3.51Å; F29-F163 HydrophobicContact CB-CZ 4.19Å; F29-F163 HydrophobicContact CD1-CB 4.29Å; F29-F163 AromaticContact CD1-CD1 3.86Å; F29-F163 HydrophobicContact CD1-CD1 3.86Å; F29-F163 AromaticContact CD1-CD2 3.7Å; F29-F163 HydrophobicContact CD1-CD2 3.7Å; F29-F163 HydrophobicContact CD1-CE1 4.07Å; F29-F163 AromaticContact CD1-CE2 3.93Å; F29-F163 HydrophobicContact CD1-CE2 3.93Å; F29-F163 AromaticContact CD1-CG 3.68Å; F29-F163 HydrophobicContact CD1-CG 3.68Å; F29-F163 HydrophobicContact CD1-CZ 4.1Å; F29-F163 HydrophobicContact CD2-CB 4.03Å; F29-F163 AromaticContact CD2-CD2 3.58Å; F29-F163 HydrophobicContact CD2-CD2 3.58Å; F29-F163 HydrophobicContact CD2-CE2 4.28Å; F29-F163 AromaticContact CD2-CG 3.94Å; F29-F163 HydrophobicContact CD2-CG 3.94Å; F29-F163 HydrophobicContact CE1-CB 3.89Å; F29-F163 AromaticContact CE1-CD1 3.87Å; F29-F163 HydrophobicContact CE1-CD1 3.87Å; F29-F163 HydrophobicContact CE1-CD2 4.18Å; F29-F163 HydrophobicContact CE1-CE1 4.46Å; F29-F163 AromaticContact CE1-CG 3.71Å; F29-F163 HydrophobicContact CE1-CG 3.71Å; F29-F163 HydrophobicContact CE2-CB 3.61Å; F29-F163 HydrophobicContact CE2-CD2 4.08Å; F29-F163 AromaticContact CE2-CG 3.98Å; F29-F163 HydrophobicContact CE2-CG 3.98Å; F29-F163 HydrophobicContact CG-CB 4.35Å; F29-F163 HydrophobicContact CG-CD1 4.39Å; F29-F163 AromaticContact CG-CD2 3.36Å; F29-F163 HydrophobicContact CG-CD2 3.36Å; F29-F163 AromaticContact CG-CE2 3.64Å; F29-F163 HydrophobicContact CG-CE2 3.64Å; F29-F163 AromaticContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CZ 4.26Å; F29-F163 HydrophobicContact CZ-CB 3.52Å; F29-F163 HydrophobicContact CZ-CD1 4.4Å; F29-F163 HydrophobicContact CZ-CD2 4.35Å; F29-F163 AromaticContact CZ-CG 3.86Å; F29-F163 HydrophobicContact CZ-CG 3.86Å; F29-Y164 HydrophobicContact CE2-CD2 4.42Å; F29-Y164 HydrophobicContact CE2-CE2 4.21Å |
| 30 | C | 96.7 | Very high | 91.8 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.3 | -46.4 | -171.6 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | L26 Y27 K47 K49 | L26-C30 WeakPolarHBondContact O-CB 3.31Å; L26-C30 PolarHBondContact O-N 3.1Å; L26-C30 PolarHBondContact O-SG 3.06Å; Y27-C30 PolarHBondContact O-N 2.91Å; C30-K47 HydrophobicContact CB-CB 4.33Å; C30-K47 HydrophobicContact CB-CD 4.19Å; C30-K47 HydrophobicContact CB-CG 4.37Å; C30-K49 PolarHBondContact O-NZ 3.31Å |
| 31 | D | 95.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -119.1 | 0.4 | -165.2 | -51.8 | -32.6 | 0 | 0 | 0 | 113 | Y27 A33 K47 | Y27-D31 VanDerWaalsContact CD1-OD2 3.27Å; Y27-D31 WeakPolarHBondContact CD1-OD2 3.47Å; Y27-D31 WeakPolarHBondContact O-CA 3.44Å; Y27-D31 PolarHBondContact O-N 3.06Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 2.78Å; D31-K47 IonicContact OD1-NZ 3.06Å; D31-K47 PolarHBondContact OD1-NZ 3.3Å; D31-K47 WeakPolarHBondContact OD2-CE 3.48Å; D31-K47 IonicContact OD2-NZ 2.71Å; D31-K47 PolarHBondContact OD2-NZ 3Å |
| 32 | D | 95.4 | Very high | 89.5 | Confident | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 52.5 | 36.8 | -170.3 | -153.4 | 12.7 | 0 | 0 | 0 | 113.5 | Y27 R28 K156 | Y27-D32 PolarHBondContact O-N 3.46Å; R28-D32 WeakPolarHBondContact CD-OD1 3.12Å; R28-D32 IonicContact CZ-OD1 2.93Å; R28-D32 VanDerWaalsContact NH1-C 3.29Å; R28-D32 PolarHBondContact NH1-O 3.27Å; R28-D32 IonicContact NH1-OD1 2.77Å; R28-D32 PolarHBondContact NH1-OD1 3.41Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 2.96Å; R28-D32 PolarHBondContact O-N 2.87Å; D32-K156 WeakPolarHBondContact OD1-CD 3.38Å; D32-K156 WeakPolarHBondContact OD1-CE 3.39Å; D32-K156 IonicContact OD1-NZ 3.58Å; D32-K156 PolarHBondContact OD1-NZ 3.04Å; D32-K156 IonicContact OD2-NZ 2.57Å; D32-K156 PolarHBondContact OD2-NZ 2.89Å |
| 33 | A | 94.6 | Very high | 88.5 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | trans | -115.3 | 146.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y27 R28 D31 | Y27-A33 CarbonylContact C-O 3.4Å; Y27-A33 PolarHBondContact O-N 3.45Å; R28-A33 VanDerWaalsContact CA-O 3.32Å; R28-A33 WeakPolarHBondContact CA-O 3.44Å; R28-A33 PolarHBondContact N-O 3.43Å; R28-A33 VanDerWaalsContact N-O 3.16Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 2.78Å | ||
| 34 | F | 92.7 | Very high | 87.9 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | trans | -140.9 | 129.3 | 172.6 | 179.4 | -97.3 | 0 | 0 | 0 | 110 | C24 T36 A153 K154 | C24-F34 HydrophobicContact CB-CD2 4.09Å; C24-F34 HydrophobicContact CB-CE2 3.97Å; F34-T36 HydrophobicContact CD1-CG2 4.41Å; F34-T36 HydrophobicContact CE1-CG2 3.78Å; F34-A153 HydrophobicContact CD2-CB 4.06Å; F34-A153 WeakPolarHBondContact CD2-O 3.37Å; F34-A153 HydrophobicContact CE2-CB 4.09Å; F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.18Å; F34-K154 HydrophobicContact CD2-CB 4.37Å; F34-K154 HydrophobicContact CE1-CB 3.96Å; F34-K154 HydrophobicContact CE1-CG 3.79Å; F34-K154 HydrophobicContact CE2-CB 3.96Å; F34-K154 HydrophobicContact CZ-CB 3.74Å; F34-K154 HydrophobicContact CZ-CG 4.06Å | ||
| 35 | N | 86.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | trans | -116.7 | 130.3 | 174.9 | -167.4 | -23.4 | 0 | 0 | 0 | 109 | T37 | N35-T37 VanDerWaalsContact C-N 3.3Å; N35-T37 VanDerWaalsContact OD1-CB 3.3Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.33Å; N35-T37 PolarHBondContact OD1-OG1 2.91Å | ||
| 36 | T | 80.8 | Confident | 87.1 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 76% | 0.755 | 35% | 0.347 | S | S | * | . | trans | -75.9 | -20.2 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | F34 F38 | F34-T36 HydrophobicContact CD1-CG2 4.41Å; F34-T36 HydrophobicContact CE1-CG2 3.78Å; T36-F38 PolarHBondContact O-N 3.29Å | ||
| 37 | T | 81.8 | Confident | 87 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -72.8 | 111.4 | 179.1 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | N35 I39 | N35-T37 VanDerWaalsContact C-N 3.3Å; N35-T37 VanDerWaalsContact OD1-CB 3.3Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.33Å; N35-T37 PolarHBondContact OD1-OG1 2.91Å; T37-I39 HydrophobicContact CG2-CD1 4.5Å; T37-I39 HydrophobicContact CG2-CG1 4.15Å; T37-I39 PolarHBondContact O-N 2.93Å |
| 38 | F | 77.4 | Confident | 86.9 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | trans | -76.1 | 114.6 | 174.6 | 177.3 | -109.4 | 0 | 0 | 0 | 110.4 | G19 T36 S40 | G19-F38 VanDerWaalsContact CA-CE2 3.47Å; T36-F38 PolarHBondContact O-N 3.29Å; F38-S40 WeakPolarHBondContact CE1-OG 3.4Å; F38-S40 WeakPolarHBondContact CZ-OG 3.25Å | ||
| 39 | I | 78.8 | Confident | 86.9 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 67% | 0.667 | 37% | 0.369 | S | S | * | . | trans | -117.3 | 122.9 | 169.2 | -56.1 | 176.5 | 0 | 0 | 0 | 106.4 | T37 T41 | T37-I39 HydrophobicContact CG2-CD1 4.5Å; T37-I39 HydrophobicContact CG2-CG1 4.15Å; T37-I39 PolarHBondContact O-N 2.93Å; I39-T41 PolarHBondContact O-N 2.8Å | ||
| 40 | S | 81.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 124.5 | 176.5 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | F38 I42 | F38-S40 WeakPolarHBondContact CE1-OG 3.4Å; F38-S40 WeakPolarHBondContact CZ-OG 3.25Å; S40-I42 PolarHBondContact O-N 3.23Å |
| 41 | T | 72.2 | Confident | 86.9 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 18% | 0.184 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.1 | 172.6 | -43.7 | 0 | 0 | 0 | 0 | 109.6 | T23 I39 D45 A66 | T23-T41 PolarHBondContact OG1-OG1 3.1Å; I39-T41 PolarHBondContact O-N 2.8Å; T41-D45 HydrophobicContact CG2-CB 4.45Å; T41-A66 VanDerWaalsContact O-CB 3.27Å; T41-A66 WeakPolarHBondContact O-CB 3.46Å |
| 42 | I | 73.4 | Confident | 87 | Confident | 146 Ų | 146 | 73.9 Ų | 73.9 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -94.5 | 119.6 | 173.2 | -61.7 | 176.1 | 0 | 0 | 0 | 107 | S40 I44 F71 | S40-I42 PolarHBondContact O-N 3.23Å; I42-I44 PolarHBondContact O-N 2.93Å; I42-F71 HydrophobicContact CG2-CZ 4.11Å |
| 43 | G | 74.2 | Confident | 87 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 71.6 | -119.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A66 | G43-A66 WeakPolarHBondContact O-CB 3.42Å; G43-A66 PolarHBondContact O-N 3.3Å |
| 44 | I | 82.7 | Confident | 86.8 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.1 | -172.6 | -66.9 | 177.5 | 0 | 0 | 0 | 109.9 | I42 W63 D64 T65 I74 Y78 | I42-I44 PolarHBondContact O-N 2.93Å; I44-W63 HydrophobicContact CG2-CB 4.45Å; I44-W63 HydrophobicContact CG2-CE3 3.69Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; I44-D64 CarbonylContact C-O 3.57Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.4Å; I44-D64 WeakPolarHBondContact CG2-O 3.35Å; I44-T65 HydrophobicContact CD1-CG2 4.43Å; I44-T65 HydrophobicContact CG1-CG2 4.4Å; I44-I74 HydrophobicContact CD1-CG2 3.46Å; I44-I74 VanDerWaalsContact CD1-CG2 3.46Å; I44-I74 HydrophobicContact CG1-CG2 4.09Å; I44-Y78 HydrophobicContact CD1-CD1 4.34Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 4.12Å; I44-Y78 HydrophobicContact CD1-CE2 2.98Å; I44-Y78 HydrophobicContact CD1-CG 3.92Å; I44-Y78 VanDerWaalsContact CD1-CZ 3.44Å; I44-Y78 HydrophobicContact CG1-CE2 4.43Å |
| 45 | D | 85.9 | Confident | 86.8 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 156.4 | 168.3 | -162.6 | 2.6 | 0 | 0 | 0 | 109.7 | Y27 T41 D64 | Y27-D45 WeakPolarHBondContact CE2-OD2 3.28Å; Y27-D45 PolarHBondContact OH-OD2 3.38Å; T41-D45 HydrophobicContact CG2-CB 4.45Å; D45-D64 HydrophobicContact CB-CB 4.28Å; D45-D64 PolarHBondContact N-O 3.21Å; D45-D64 PolarHBondContact O-N 3.48Å |
| 46 | F | 90.2 | Very high | 87.2 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 127.8 | -172.8 | 174.3 | -104.7 | 0 | 0 | 0 | 111.6 | I48 Q61 I62 W63 | F46-I48 HydrophobicContact CE1-CD1 3.69Å; F46-I48 HydrophobicContact CE1-CG1 3.47Å; F46-I48 VanDerWaalsContact CE1-CG1 3.47Å; F46-I48 HydrophobicContact CE2-CG1 4.36Å; F46-I48 HydrophobicContact CZ-CD1 3.72Å; F46-I48 HydrophobicContact CZ-CG1 3.38Å; F46-Q61 HydrophobicContact CE2-CB 3.76Å; F46-Q61 HydrophobicContact CE2-CG 4.01Å; F46-Q61 HydrophobicContact CZ-CB 4.15Å; F46-Q61 HydrophobicContact CZ-CG 3.88Å; F46-I62 WeakPolarHBondContact CA-O 3.38Å; F46-W63 HydrophobicContact CB-CE3 3.93Å; F46-W63 HydrophobicContact CB-CZ3 3.99Å; F46-W63 AromaticContact CD2-CD2 3.45Å; F46-W63 HydrophobicContact CD2-CD2 3.45Å; F46-W63 VanDerWaalsContact CD2-CD2 3.45Å; F46-W63 AromaticContact CD2-CE2 3.48Å; F46-W63 VanDerWaalsContact CD2-CE2 3.48Å; F46-W63 AromaticContact CD2-CE3 3.58Å; F46-W63 HydrophobicContact CD2-CE3 3.58Å; F46-W63 HydrophobicContact CD2-CG 4.05Å; F46-W63 AromaticContact CD2-CH2 3.88Å; F46-W63 HydrophobicContact CD2-CH2 3.88Å; F46-W63 AromaticContact CD2-CZ2 3.72Å; F46-W63 HydrophobicContact CD2-CZ2 3.72Å; F46-W63 AromaticContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CD2-CZ3 3.79Å; F46-W63 AromaticContact CD2-NE1 3.99Å; F46-W63 HydrophobicContact CE2-CD2 4.01Å; F46-W63 AromaticContact CE2-CE2 3.54Å; F46-W63 HydrophobicContact CE2-CE3 4.45Å; F46-W63 HydrophobicContact CE2-CH2 4.16Å; F46-W63 AromaticContact CE2-CZ2 3.65Å; F46-W63 HydrophobicContact CE2-CZ2 3.65Å; F46-W63 AromaticContact CE2-NE1 3.78Å; F46-W63 HydrophobicContact CG-CD2 4.39Å; F46-W63 HydrophobicContact CG-CE3 4.08Å; F46-W63 HydrophobicContact CG-CH2 4.26Å; F46-W63 HydrophobicContact CG-CZ3 4.01Å; F46-W63 HydrophobicContact CZ-CZ2 4.41Å |
| 47 | K | 94.7 | Very high | 87.9 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.2 | 172.6 | -71.2 | -91.2 | -179.5 | 170.2 | 0 | 111 | L26 C30 D31 I62 | L26-K47 HydrophobicContact CD1-CB 4.01Å; L26-K47 HydrophobicContact CD1-CG 4.3Å; L26-K47 HydrophobicContact CD2-CB 4.28Å; L26-K47 HydrophobicContact CD2-CG 3.86Å; L26-K47 HydrophobicContact CG-CB 4.31Å; L26-K47 HydrophobicContact CG-CG 4.03Å; C30-K47 HydrophobicContact CB-CB 4.33Å; C30-K47 HydrophobicContact CB-CD 4.19Å; C30-K47 HydrophobicContact CB-CG 4.37Å; D31-K47 IonicContact OD1-NZ 3.06Å; D31-K47 PolarHBondContact OD1-NZ 3.3Å; D31-K47 WeakPolarHBondContact OD2-CE 3.48Å; D31-K47 IonicContact OD2-NZ 2.71Å; D31-K47 PolarHBondContact OD2-NZ 3Å; K47-I62 PolarHBondContact N-O 2.81Å; K47-I62 PolarHBondContact O-N 2.81Å |
| 48 | I | 95.6 | Very high | 88.6 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.9 | 169.9 | -61.4 | -179.3 | 0 | 0 | 0 | 108.7 | F46 K59 L60 Q61 | F46-I48 HydrophobicContact CE1-CD1 3.69Å; F46-I48 HydrophobicContact CE1-CG1 3.47Å; F46-I48 VanDerWaalsContact CE1-CG1 3.47Å; F46-I48 HydrophobicContact CE2-CG1 4.36Å; F46-I48 HydrophobicContact CZ-CD1 3.72Å; F46-I48 HydrophobicContact CZ-CG1 3.38Å; I48-K59 HydrophobicContact CG2-CD 3.73Å; I48-K59 HydrophobicContact CG2-CG 3.41Å; I48-K59 VanDerWaalsContact CG2-CG 3.41Å; I48-L60 VanDerWaalsContact CA-O 3.27Å; I48-L60 WeakPolarHBondContact CA-O 3.16Å; I48-Q61 HydrophobicContact CG1-CG 4.42Å |
| 49 | K | 96.9 | Very high | 89.5 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.7 | 169.2 | 179.1 | 146 | 179.3 | 155.1 | 0 | 109.6 | F29 C30 I51 L60 | F29-K49 HydrophobicContact CD1-CD 4.07Å; F29-K49 HydrophobicContact CE1-CB 4.12Å; F29-K49 HydrophobicContact CE1-CD 3.73Å; F29-K49 HydrophobicContact CE1-CG 4.03Å; F29-K49 HydrophobicContact CE2-CD 4.45Å; F29-K49 HydrophobicContact CZ-CD 3.95Å; F29-K49 HydrophobicContact CZ-CG 4.3Å; F29-K49 WeakPolarHBondContact O-CD 3.39Å; F29-K49 WeakPolarHBondContact O-CE 3.5Å; F29-K49 PolarHBondContact O-NZ 3.22Å; C30-K49 PolarHBondContact O-NZ 3.31Å; K49-I51 HydrophobicContact CG-CG2 4.15Å; K49-L60 PolarHBondContact N-O 3.24Å; K49-L60 WeakPolarHBondContact O-CA 3.43Å; K49-L60 WeakPolarHBondContact O-CB 3.32Å; K49-L60 PolarHBondContact O-N 3.5Å |
| 50 | T | 97.2 | Very high | 90.4 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.9 | 171.6 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | K57 I58 | T50-K57 HydrophobicContact CG2-CB 4.19Å; T50-I58 CarbonylContact C-O 3.47Å; T50-I58 WeakPolarHBondContact CA-O 3.49Å |
| 51 | I | 97.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 161.4 | 173.2 | 63.7 | 167.2 | 0 | 0 | 0 | 109.8 | F29 K49 K57 I58 L60 Y164 A167 | F29-I51 HydrophobicContact CZ-CG2 3.95Å; K49-I51 HydrophobicContact CG-CG2 4.15Å; I51-K57 WeakPolarHBondContact O-CA 3.26Å; I51-I58 HydrophobicContact CG1-CB 4.05Å; I51-I58 PolarHBondContact N-O 2.84Å; I51-I58 PolarHBondContact O-N 3.27Å; I51-L60 HydrophobicContact CD1-CD1 3.93Å; I51-L60 HydrophobicContact CD1-CD2 4.4Å; I51-L60 HydrophobicContact CD1-CG 4.33Å; I51-L60 HydrophobicContact CG1-CD1 4.17Å; I51-L60 HydrophobicContact CG1-CG 4.21Å; I51-L60 HydrophobicContact CG2-CD1 4.14Å; I51-Y164 HydrophobicContact CB-CE1 4.11Å; I51-Y164 HydrophobicContact CD1-CD1 4.17Å; I51-Y164 HydrophobicContact CD1-CE1 4.09Å; I51-Y164 HydrophobicContact CG2-CE2 4.16Å; I51-A167 HydrophobicContact CD1-CB 3.78Å |
| 52 | E | 96.3 | Very high | 92.4 | Very high | 127 Ų | 127 | 55.4 Ų | 55.4 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125 | 169.9 | -170.4 | 170.8 | 158.2 | 0 | 0 | 109.4 | K56 | E52-K56 WeakPolarHBondContact CA-O 3.35Å |
| 53 | L | 95.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 125 | -178.9 | -177.1 | 68.9 | 0 | 0 | 0 | 109 | G55 K56 I58 Y164 A167 E168 | L53-G55 PolarHBondContact O-N 3.09Å; L53-K56 PolarHBondContact N-O 3.1Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 3.27Å; L53-I58 HydrophobicContact CB-CD1 3.82Å; L53-I58 HydrophobicContact CB-CG1 4.45Å; L53-I58 HydrophobicContact CD2-CD1 3.87Å; L53-I58 HydrophobicContact CG-CD1 4.39Å; L53-Y164 HydrophobicContact CD1-CD1 4.43Å; L53-A167 HydrophobicContact CD2-CB 4.19Å; L53-E168 HydrophobicContact CD1-CB 4.46Å; L53-E168 HydrophobicContact CD2-CB 4.02Å |
| 54 | K | 92.4 | Very high | 94.3 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.7 | -179.2 | -61.3 | -177.9 | 180 | -179.4 | 0 | 112.9 | K56 E168 Y171 N172 | K54-K56 PolarHBondContact O-N 3.37Å; K54-E168 WeakPolarHBondContact CE-OE1 3.44Å; K54-E168 IonicContact NZ-OE1 2.78Å; K54-E168 PolarHBondContact NZ-OE1 3.26Å; K54-Y171 HydrophobicContact CB-CE1 4.39Å; K54-Y171 HydrophobicContact CD-CD1 3.79Å; K54-Y171 HydrophobicContact CD-CE1 3.59Å; K54-N172 PolarHBondContact NZ-OD1 3.09Å |
| 55 | G | 92.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 62% | 0.619 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 11.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L53 | L53-G55 PolarHBondContact O-N 3.09Š|
| 56 | K | 93.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.1 | 174.8 | -59.9 | -56.5 | -170.8 | -178.7 | 0 | 110.6 | D7 L8 E52 L53 K54 I58 Y171 | D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 HydrophobicContact CB-CD 4.12Å; D7-K56 WeakPolarHBondContact OD2-CA 3.33Å; L8-K56 HydrophobicContact CD1-CB 4.5Å; E52-K56 WeakPolarHBondContact CA-O 3.35Å; L53-K56 PolarHBondContact N-O 3.1Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 3.27Å; K54-K56 PolarHBondContact O-N 3.37Å; K56-I58 HydrophobicContact CB-CG1 4.32Å; K56-I58 PolarHBondContact O-N 3.11Å; K56-Y171 HydrophobicContact CG-CE2 4.01Å |
| 57 | K | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 47% | 0.47 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 109.1 | 168.2 | -69.3 | -175 | 179.8 | -175.4 | 0 | 109.1 | D7 L8 T50 I51 | D7-K57 PolarHBondContact N-O 3Å; D7-K57 PolarHBondContact OD2-N 3.26Å; L8-K57 PolarHBondContact N-O 3.14Å; T50-K57 HydrophobicContact CG2-CB 4.19Å; I51-K57 WeakPolarHBondContact O-CA 3.26Å |
| 58 | I | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.6 | -179.5 | -50.4 | -172.1 | 0 | 0 | 0 | 108.6 | L8 F10 T50 I51 L53 K56 L60 Y171 | L8-I58 HydrophobicContact CB-CG1 4.2Å; L8-I58 HydrophobicContact CB-CG2 4.2Å; L8-I58 HydrophobicContact CD1-CD1 4.18Å; L8-I58 HydrophobicContact CD1-CG1 4.23Å; L8-I58 WeakPolarHBondContact O-CA 2.8Å; F10-I58 HydrophobicContact CB-CG2 4.32Å; F10-I58 HydrophobicContact CD1-CG2 4.19Å; F10-I58 HydrophobicContact CD2-CD1 4.44Å; F10-I58 HydrophobicContact CD2-CG2 3.48Å; F10-I58 VanDerWaalsContact CD2-CG2 3.48Å; F10-I58 HydrophobicContact CE1-CG2 4.38Å; F10-I58 HydrophobicContact CE2-CD1 3.68Å; F10-I58 HydrophobicContact CE2-CG2 3.71Å; F10-I58 HydrophobicContact CG-CG2 3.72Å; F10-I58 HydrophobicContact CZ-CD1 3.97Å; F10-I58 HydrophobicContact CZ-CG2 4.15Å; T50-I58 CarbonylContact C-O 3.47Å; T50-I58 WeakPolarHBondContact CA-O 3.49Å; I51-I58 HydrophobicContact CG1-CB 4.05Å; I51-I58 PolarHBondContact N-O 2.84Å; I51-I58 PolarHBondContact O-N 3.27Å; L53-I58 HydrophobicContact CB-CD1 3.82Å; L53-I58 HydrophobicContact CB-CG1 4.45Å; L53-I58 HydrophobicContact CD2-CD1 3.87Å; L53-I58 HydrophobicContact CG-CD1 4.39Å; K56-I58 HydrophobicContact CB-CG1 4.32Å; K56-I58 PolarHBondContact O-N 3.11Å; I58-L60 HydrophobicContact CG2-CD2 3.84Å; I58-L60 PolarHBondContact O-N 2.79Å; I58-Y171 HydrophobicContact CD1-CD2 4.09Å |
| 59 | K | 97.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 109.8 | 172 | -175.7 | 172.6 | -75.4 | -172 | 0 | 108.8 | Y6 L8 L9 F10 I48 | Y6-K59 HydrophobicContact CD1-CB 4.2Å; Y6-K59 HydrophobicContact CD1-CD 3.89Å; Y6-K59 VanDerWaalsContact CD1-CE 3.44Å; Y6-K59 HydrophobicContact CD2-CB 4.06Å; Y6-K59 HydrophobicContact CE1-CD 3.99Å; Y6-K59 HydrophobicContact CG-CB 3.8Å; Y6-K59 HydrophobicContact CG-CD 4.37Å; L8-K59 PolarHBondContact O-N 2.8Å; L9-K59 WeakPolarHBondContact CA-O 3.39Å; L9-K59 HydrophobicContact CD1-CB 3.89Å; L9-K59 HydrophobicContact CD1-CD 3.91Å; L9-K59 HydrophobicContact CD1-CG 3.81Å; F10-K59 PolarHBondContact N-O 3.11Å; I48-K59 HydrophobicContact CG2-CD 3.73Å; I48-K59 HydrophobicContact CG2-CG 3.41Å; I48-K59 VanDerWaalsContact CG2-CG 3.41Å |
| 60 | L | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.5 | 173 | -54.2 | -177.8 | 0 | 0 | 0 | 109.3 | F10 L12 F29 I48 K49 I51 I58 I62 A167 | F10-L60 HydrophobicContact CB-CD2 3.83Å; F10-L60 HydrophobicContact CD2-CD2 4.05Å; F10-L60 HydrophobicContact CG-CD2 4.36Å; L12-L60 HydrophobicContact CD1-CD1 4.17Å; L12-L60 HydrophobicContact CD1-CD2 4.26Å; F29-L60 HydrophobicContact CE1-CD1 3.92Å; F29-L60 HydrophobicContact CZ-CD1 4.07Å; I48-L60 VanDerWaalsContact CA-O 3.27Å; I48-L60 WeakPolarHBondContact CA-O 3.16Å; K49-L60 PolarHBondContact N-O 3.24Å; K49-L60 WeakPolarHBondContact O-CA 3.43Å; K49-L60 WeakPolarHBondContact O-CB 3.32Å; K49-L60 PolarHBondContact O-N 3.5Å; I51-L60 HydrophobicContact CD1-CD1 3.93Å; I51-L60 HydrophobicContact CD1-CD2 4.4Å; I51-L60 HydrophobicContact CD1-CG 4.33Å; I51-L60 HydrophobicContact CG1-CD1 4.17Å; I51-L60 HydrophobicContact CG1-CG 4.21Å; I51-L60 HydrophobicContact CG2-CD1 4.14Å; I58-L60 HydrophobicContact CG2-CD2 3.84Å; I58-L60 PolarHBondContact O-N 2.79Å; L60-I62 HydrophobicContact CB-CD1 4.23Å; L60-I62 HydrophobicContact CB-CG1 4Å; L60-A167 HydrophobicContact CD2-CB 4.35Å |
| 61 | Q | 97.2 | Very high | 89.1 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.8 | 168.1 | -77.8 | -169.2 | -32.4 | 0 | 0 | 107.6 | L9 F10 K11 L12 F46 I48 | L9-Q61 HydrophobicContact CD1-CG 3.73Å; L9-Q61 HydrophobicContact CG-CG 4.42Å; F10-Q61 PolarHBondContact O-N 2.93Å; K11-Q61 WeakPolarHBondContact CA-O 3.08Å; K11-Q61 HydrophobicContact CG-CB 4.3Å; L12-Q61 PolarHBondContact N-O 3.01Å; F46-Q61 HydrophobicContact CE2-CB 3.76Å; F46-Q61 HydrophobicContact CE2-CG 4.01Å; F46-Q61 HydrophobicContact CZ-CB 4.15Å; F46-Q61 HydrophobicContact CZ-CG 3.88Å; I48-Q61 HydrophobicContact CG1-CG 4.42Å |
| 62 | I | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.8 | -172.5 | -47.3 | 168.3 | 0 | 0 | 0 | 108.6 | L12 L14 L26 F29 F46 K47 L60 F163 | L12-I62 HydrophobicContact CB-CG1 4.31Å; L12-I62 HydrophobicContact CB-CG2 4.35Å; L12-I62 HydrophobicContact CD1-CG1 4.29Å; L12-I62 WeakPolarHBondContact O-CA 3.45Å; L14-I62 HydrophobicContact CD1-CG2 4.26Å; L14-I62 HydrophobicContact CD2-CG2 4.35Å; L14-I62 HydrophobicContact CG-CG2 4.03Å; L26-I62 HydrophobicContact CD1-CB 3.68Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å; L26-I62 HydrophobicContact CD1-CG2 3.45Å; L26-I62 VanDerWaalsContact CD1-CG2 3.45Å; F29-I62 HydrophobicContact CD1-CD1 3.74Å; F29-I62 HydrophobicContact CE1-CD1 3.79Å; F46-I62 WeakPolarHBondContact CA-O 3.38Å; K47-I62 PolarHBondContact N-O 2.81Å; K47-I62 PolarHBondContact O-N 2.81Å; L60-I62 HydrophobicContact CB-CD1 4.23Å; L60-I62 HydrophobicContact CB-CG1 4Å; I62-F163 HydrophobicContact CD1-CD1 4.06Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CG1-CE1 4.4Å; I62-F163 HydrophobicContact CG2-CE1 4.11Å |
| 63 | W | 94.8 | Very high | 86.9 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.9 | -179.5 | -60.6 | 89.6 | 0 | 0 | 0 | 109 | L12 L13 L14 I44 F46 Y78 | L12-W63 PolarHBondContact O-N 3.2Å; L13-W63 HydrophobicContact CD1-CB 3.62Å; L14-W63 PolarHBondContact N-O 3.37Å; I44-W63 HydrophobicContact CG2-CB 4.45Å; I44-W63 HydrophobicContact CG2-CE3 3.69Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; F46-W63 HydrophobicContact CB-CE3 3.93Å; F46-W63 HydrophobicContact CB-CZ3 3.99Å; F46-W63 AromaticContact CD2-CD2 3.45Å; F46-W63 HydrophobicContact CD2-CD2 3.45Å; F46-W63 VanDerWaalsContact CD2-CD2 3.45Å; F46-W63 AromaticContact CD2-CE2 3.48Å; F46-W63 VanDerWaalsContact CD2-CE2 3.48Å; F46-W63 AromaticContact CD2-CE3 3.58Å; F46-W63 HydrophobicContact CD2-CE3 3.58Å; F46-W63 HydrophobicContact CD2-CG 4.05Å; F46-W63 AromaticContact CD2-CH2 3.88Å; F46-W63 HydrophobicContact CD2-CH2 3.88Å; F46-W63 AromaticContact CD2-CZ2 3.72Å; F46-W63 HydrophobicContact CD2-CZ2 3.72Å; F46-W63 AromaticContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CD2-CZ3 3.79Å; F46-W63 AromaticContact CD2-NE1 3.99Å; F46-W63 HydrophobicContact CE2-CD2 4.01Å; F46-W63 AromaticContact CE2-CE2 3.54Å; F46-W63 HydrophobicContact CE2-CE3 4.45Å; F46-W63 HydrophobicContact CE2-CH2 4.16Å; F46-W63 AromaticContact CE2-CZ2 3.65Å; F46-W63 HydrophobicContact CE2-CZ2 3.65Å; F46-W63 AromaticContact CE2-NE1 3.78Å; F46-W63 HydrophobicContact CG-CD2 4.39Å; F46-W63 HydrophobicContact CG-CE3 4.08Å; F46-W63 HydrophobicContact CG-CH2 4.26Å; F46-W63 HydrophobicContact CG-CZ3 4.01Å; F46-W63 HydrophobicContact CZ-CZ2 4.41Å; W63-Y78 HydrophobicContact CB-CD1 4.49Å; W63-Y78 AromaticContact CD2-CD1 3.76Å; W63-Y78 HydrophobicContact CD2-CD1 3.76Å; W63-Y78 AromaticContact CD2-CE1 3.72Å; W63-Y78 HydrophobicContact CD2-CE1 3.72Å; W63-Y78 AromaticContact CE3-CD1 3.86Å; W63-Y78 HydrophobicContact CE3-CD1 3.86Å; W63-Y78 AromaticContact CE3-CE1 3.36Å; W63-Y78 HydrophobicContact CE3-CE1 3.36Å; W63-Y78 HydrophobicContact CG-CD1 4.09Å; W63-Y78 HydrophobicContact CG-CE1 4.49Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ2-CE1 4.24Å; W63-Y78 HydrophobicContact CZ3-CD1 4.35Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å |
| 64 | D | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.9 | 172.6 | 175.7 | 40.9 | 0 | 0 | 0 | 109.7 | L14 K22 T23 L26 I44 D45 | L14-D64 HydrophobicContact CD1-CB 4.37Å; K22-D64 WeakPolarHBondContact CB-OD1 3.23Å; T23-D64 WeakPolarHBondContact CA-OD2 3.48Å; T23-D64 VanDerWaalsContact CB-OD2 3.32Å; T23-D64 WeakPolarHBondContact CB-OD2 3.38Å; T23-D64 PolarHBondContact OG1-OD2 3.24Å; L26-D64 HydrophobicContact CD2-CB 3.66Å; I44-D64 CarbonylContact C-O 3.57Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.4Å; I44-D64 WeakPolarHBondContact CG2-O 3.35Å; D45-D64 HydrophobicContact CB-CB 4.28Å; D45-D64 PolarHBondContact N-O 3.21Å; D45-D64 PolarHBondContact O-N 3.48Å |
| 65 | T | 86.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 147.9 | -174.6 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | L13 L14 K22 I44 G67 T75 | L13-T65 HydrophobicContact CD1-CG2 3.4Å; L13-T65 VanDerWaalsContact CD1-CG2 3.4Å; L13-T65 HydrophobicContact CG-CG2 4.08Å; L14-T65 PolarHBondContact O-N 3.25Å; L14-T65 PolarHBondContact O-OG1 2.93Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; K22-T65 PolarHBondContact NZ-O 3.41Å; I44-T65 HydrophobicContact CD1-CG2 4.43Å; I44-T65 HydrophobicContact CG1-CG2 4.4Å; T65-G67 PolarHBondContact O-N 2.83Å; T65-T75 HydrophobicContact CG2-CG2 3.95Å |
| 66 | A | 82.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -61 | 131.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T41 G43 Q68 F71 | T41-A66 VanDerWaalsContact O-CB 3.27Å; T41-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 WeakPolarHBondContact O-CB 3.42Å; G43-A66 PolarHBondContact O-N 3.3Å; A66-Q68 VanDerWaalsContact C-N 3.31Å; A66-Q68 PolarHBondContact O-N 3.43Å; A66-F71 HydrophobicContact CB-CB 3.87Å; A66-F71 HydrophobicContact CB-CD2 3.46Å; A66-F71 VanDerWaalsContact CB-CD2 3.46Å; A66-F71 HydrophobicContact CB-CE2 4.2Å; A66-F71 HydrophobicContact CB-CG 3.83Å |
| 67 | G | 74.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | trans | -87.7 | 7.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G16 S18 T65 | G16-G67 VanDerWaalsContact O-CA 3.22Å; G16-G67 WeakPolarHBondContact O-CA 3.46Å; S18-G67 PolarHBondContact N-O 2.93Å; T65-G67 PolarHBondContact O-N 2.83Å | ||
| 68 | Q | 75.5 | Confident | 83.1 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -92.3 | 139.3 | 178.6 | -60.5 | -159.3 | 34.1 | 0 | 0 | 111.1 | A66 R70 F71 | A66-Q68 VanDerWaalsContact C-N 3.31Å; A66-Q68 PolarHBondContact O-N 3.43Å; Q68-R70 HydrophobicContact CB-CG 3.92Å; Q68-R70 PolarHBondContact O-N 3.09Å; Q68-R70 VanDerWaalsContact O-N 3.15Å; Q68-F71 HydrophobicContact CB-CD2 4.08Å; Q68-F71 PolarHBondContact O-N 2.94Å |
| 69 | E | 67.2 | Low | 82.8 | Confident | 143 Ų | 143 | 48.9 Ų | 48.9 | 67% | 0.668 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -56.1 | -35.4 | -176.9 | -65.3 | -160.9 | 152.5 | 0 | 0 | 114.2 | F71 H72 K102 | E69-F71 PolarHBondContact O-N 2.81Å; E69-H72 WeakPolarHBondContact O-CB 3.47Å; E69-H72 PolarHBondContact O-N 3.46Å; E69-K102 IonicContact OE1-NZ 2.8Å; E69-K102 PolarHBondContact OE1-NZ 2.71Å |
| 70 | R | 74 | Confident | 82.3 | Confident | 197 Ų | 197 | 56.6 Ų | 56.6 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -59.5 | -11.7 | 176.5 | 40.6 | -179.7 | -75.3 | -175.8 | -2.5 | 114.6 | Q68 | Q68-R70 HydrophobicContact CB-CG 3.92Å; Q68-R70 PolarHBondContact O-N 3.09Å; Q68-R70 VanDerWaalsContact O-N 3.15Å |
| 71 | F | 75.2 | Confident | 81.9 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -108.3 | 7.3 | 173.2 | -60.9 | -67.8 | 0 | 0 | 0 | 113.6 | I42 A66 Q68 E69 T73 I74 T75 | I42-F71 HydrophobicContact CG2-CZ 4.11Å; A66-F71 HydrophobicContact CB-CB 3.87Å; A66-F71 HydrophobicContact CB-CD2 3.46Å; A66-F71 VanDerWaalsContact CB-CD2 3.46Å; A66-F71 HydrophobicContact CB-CE2 4.2Å; A66-F71 HydrophobicContact CB-CG 3.83Å; Q68-F71 HydrophobicContact CB-CD2 4.08Å; Q68-F71 PolarHBondContact O-N 2.94Å; E69-F71 PolarHBondContact O-N 2.81Å; F71-T73 VanDerWaalsContact C-N 3.32Å; F71-T73 PolarHBondContact O-N 2.84Å; F71-I74 HydrophobicContact CD1-CD1 4.05Å; F71-I74 WeakPolarHBondContact O-CB 3.4Å; F71-I74 PolarHBondContact O-N 3Å; F71-T75 PolarHBondContact O-N 3.26Å; F71-T75 VanDerWaalsContact O-N 3.14Å; F71-T75 PolarHBondContact O-OG1 2.87Å |
| 72 | H | 72.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56 | -40.5 | -174.3 | -178.6 | -75.4 | 0 | 0 | 0 | 113.4 | E69 I74 T75 T76 N106 | E69-H72 WeakPolarHBondContact O-CB 3.47Å; E69-H72 PolarHBondContact O-N 3.46Å; H72-I74 VanDerWaalsContact C-N 3.28Å; H72-I74 PolarHBondContact O-N 3.34Å; H72-T75 PolarHBondContact O-N 2.9Å; H72-T76 PolarHBondContact CE1-OG1 3.13Å; H72-T76 VanDerWaalsContact CE1-OG1 3.26Å; H72-T76 PolarHBondContact ND1-OG1 3.38Å; H72-T76 WeakPolarHBondContact O-CB 3.36Å; H72-T76 PolarHBondContact O-N 3.25Å; H72-T76 PolarHBondContact O-OG1 2.68Å; H72-N106 PolarHBondContact NE2-ND2 3.42Å; H72-N106 PolarHBondContact NE2-OD1 2.86Å |
| 73 | T | 73.1 | Confident | 81.8 | Confident | 120 Ų | 120 | 58.8 Ų | 58.8 | 74% | 0.736 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.2 | -39.7 | 176.2 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | F71 T76 | F71-T73 VanDerWaalsContact C-N 3.32Å; F71-T73 PolarHBondContact O-N 2.84Å; T73-T76 PolarHBondContact O-N 3.21Å |
| 74 | I | 71.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.8 | -52.7 | 177.7 | -53.9 | -177.1 | 0 | 0 | 0 | 108.2 | I44 F71 H72 T76 S77 Y78 | I44-I74 HydrophobicContact CD1-CG2 3.46Å; I44-I74 VanDerWaalsContact CD1-CG2 3.46Å; I44-I74 HydrophobicContact CG1-CG2 4.09Å; F71-I74 HydrophobicContact CD1-CD1 4.05Å; F71-I74 WeakPolarHBondContact O-CB 3.4Å; F71-I74 PolarHBondContact O-N 3Å; H72-I74 VanDerWaalsContact C-N 3.28Å; H72-I74 PolarHBondContact O-N 3.34Å; I74-T76 PolarHBondContact O-N 3.49Å; I74-S77 PolarHBondContact O-N 3.21Å; I74-S77 VanDerWaalsContact O-N 3.1Å; I74-S77 PolarHBondContact O-OG 3.33Å; I74-Y78 HydrophobicContact CG2-CE2 3.96Å; I74-Y78 VanDerWaalsContact O-CD2 3.23Å; I74-Y78 WeakPolarHBondContact O-CD2 3.42Å |
| 75 | T | 75.5 | Confident | 82.2 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.3 | -43.6 | 178.3 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | I15 T65 F71 H72 S77 Y78 Y79 W103 | I15-T75 HydrophobicContact CG2-CG2 4.19Å; T65-T75 HydrophobicContact CG2-CG2 3.95Å; F71-T75 PolarHBondContact O-N 3.26Å; F71-T75 VanDerWaalsContact O-N 3.14Å; F71-T75 PolarHBondContact O-OG1 2.87Å; H72-T75 PolarHBondContact O-N 2.9Å; T75-S77 VanDerWaalsContact C-N 3.26Å; T75-S77 PolarHBondContact O-N 3.31Å; T75-Y78 PolarHBondContact O-N 3.26Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.57Å; T75-Y79 WeakPolarHBondContact O-CD2 3.33Å; T75-Y79 WeakPolarHBondContact O-CE2 3.19Å; T75-W103 HydrophobicContact CG2-CZ3 4.46Å |
| 76 | T | 77.5 | Confident | 82.8 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.5 | -38.5 | -178.8 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | H72 T73 I74 Y78 Y79 H110 | H72-T76 PolarHBondContact CE1-OG1 3.13Å; H72-T76 VanDerWaalsContact CE1-OG1 3.26Å; H72-T76 PolarHBondContact ND1-OG1 3.38Å; H72-T76 WeakPolarHBondContact O-CB 3.36Å; H72-T76 PolarHBondContact O-N 3.25Å; H72-T76 PolarHBondContact O-OG1 2.68Å; T73-T76 PolarHBondContact O-N 3.21Å; I74-T76 PolarHBondContact O-N 3.49Å; T76-Y78 VanDerWaalsContact C-N 3.26Å; T76-Y78 PolarHBondContact O-N 3.28Å; T76-Y79 PolarHBondContact O-N 2.81Å; T76-H110 HydrophobicContact CG2-CB 4.17Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.47Å |
| 77 | S | 82.3 | Confident | 83.5 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -24 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | I74 T75 | I74-S77 PolarHBondContact O-N 3.21Å; I74-S77 VanDerWaalsContact O-N 3.1Å; I74-S77 PolarHBondContact O-OG 3.33Å; T75-S77 VanDerWaalsContact C-N 3.26Å; T75-S77 PolarHBondContact O-N 3.31Å |
| 78 | Y | 85.2 | Confident | 84.7 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -90.7 | -13 | -178.6 | -69.9 | -96.7 | 0 | 0 | 0 | 113.8 | I44 W63 I74 T75 T76 R80 | I44-Y78 HydrophobicContact CD1-CD1 4.34Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 4.12Å; I44-Y78 HydrophobicContact CD1-CE2 2.98Å; I44-Y78 HydrophobicContact CD1-CG 3.92Å; I44-Y78 VanDerWaalsContact CD1-CZ 3.44Å; I44-Y78 HydrophobicContact CG1-CE2 4.43Å; W63-Y78 HydrophobicContact CB-CD1 4.49Å; W63-Y78 AromaticContact CD2-CD1 3.76Å; W63-Y78 HydrophobicContact CD2-CD1 3.76Å; W63-Y78 AromaticContact CD2-CE1 3.72Å; W63-Y78 HydrophobicContact CD2-CE1 3.72Å; W63-Y78 AromaticContact CE3-CD1 3.86Å; W63-Y78 HydrophobicContact CE3-CD1 3.86Å; W63-Y78 AromaticContact CE3-CE1 3.36Å; W63-Y78 HydrophobicContact CE3-CE1 3.36Å; W63-Y78 HydrophobicContact CG-CD1 4.09Å; W63-Y78 HydrophobicContact CG-CE1 4.49Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ2-CE1 4.24Å; W63-Y78 HydrophobicContact CZ3-CD1 4.35Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å; I74-Y78 HydrophobicContact CG2-CE2 3.96Å; I74-Y78 VanDerWaalsContact O-CD2 3.23Å; I74-Y78 WeakPolarHBondContact O-CD2 3.42Å; T75-Y78 PolarHBondContact O-N 3.26Å; T76-Y78 VanDerWaalsContact C-N 3.26Å; T76-Y78 PolarHBondContact O-N 3.28Å; Y78-R80 PolarHBondContact O-N 3.23Å |
| 79 | Y | 89.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 170 | -72.7 | -96.8 | 0 | 0 | 0 | 110.5 | L13 I15 T75 T76 G81 A82 I85 I107 H110 A111 | L13-Y79 HydrophobicContact CD2-CD1 4.38Å; L13-Y79 HydrophobicContact CD2-CD2 4.3Å; L13-Y79 HydrophobicContact CD2-CG 4.27Å; I15-Y79 HydrophobicContact CD1-CE1 4.07Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.57Å; T75-Y79 WeakPolarHBondContact O-CD2 3.33Å; T75-Y79 WeakPolarHBondContact O-CE2 3.19Å; T76-Y79 PolarHBondContact O-N 2.81Å; Y79-G81 PolarHBondContact O-N 3.47Å; Y79-G81 VanDerWaalsContact O-N 3.12Å; Y79-A82 WeakPolarHBondContact O-CB 3.5Å; Y79-A82 PolarHBondContact O-N 2.88Å; Y79-A82 VanDerWaalsContact O-N 3.11Å; Y79-I85 HydrophobicContact CD1-CD1 3.68Å; Y79-I85 HydrophobicContact CE1-CD1 4.15Å; Y79-I107 HydrophobicContact CD1-CG1 4.24Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.62Å; Y79-H110 HydrophobicContact CD2-CB 4.42Å; Y79-H110 HydrophobicContact CG-CB 4.08Å; Y79-A111 HydrophobicContact CD1-CB 4.2Å |
| 80 | R | 86.6 | Confident | 87.3 | Confident | 202 Ų | 202 | 45.3 Ų | 45.3 | 76% | 0.762 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 113.8 | 178.7 | -171.9 | 177.9 | -69.7 | 137.9 | -1.3 | 110.2 | Y78 | Y78-R80 PolarHBondContact O-N 3.23Š|
| 81 | G | 89.5 | Confident | 88.5 | Confident | 25 Ų | 25 | 36 Ų | 36 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | K11 Y79 M83 | K11-G81 WeakPolarHBondContact CD-O 3.37Å; Y79-G81 PolarHBondContact O-N 3.47Å; Y79-G81 VanDerWaalsContact O-N 3.12Å; G81-M83 PolarHBondContact O-N 3.07Å |
| 82 | A | 95.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | trans | -63.9 | 130.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L13 Y79 I85 V115 | L13-A82 HydrophobicContact CB-CB 4.34Å; Y79-A82 WeakPolarHBondContact O-CB 3.5Å; Y79-A82 PolarHBondContact O-N 2.88Å; Y79-A82 VanDerWaalsContact O-N 3.11Å; A82-I85 HydrophobicContact CB-CD1 4.25Å; A82-I85 HydrophobicContact CB-CG1 3.94Å; A82-V115 HydrophobicContact CB-CG2 4.47Å; A82-V115 WeakPolarHBondContact O-CG2 3.43Å | ||
| 83 | M | 96.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 36 Ų | 36 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -92.5 | -28.7 | 175 | -61.1 | 172.6 | 77.1 | 0 | 0 | 110.7 | F10 K11 G81 E116 I170 V174 | F10-M83 HydrophobicContact CB-SD 4.28Å; F10-M83 HydrophobicContact CD1-CE 3.6Å; F10-M83 HydrophobicContact CD1-SD 3.85Å; F10-M83 HydrophobicContact CE1-CE 3.91Å; F10-M83 HydrophobicContact CG-CE 4.46Å; F10-M83 HydrophobicContact CG-SD 4.4Å; K11-M83 PolarHBondContact O-N 3.14Å; G81-M83 PolarHBondContact O-N 3.07Å; M83-E116 PolarHBondContact O-N 2.97Å; M83-I170 HydrophobicContact CB-CD1 4.07Å; M83-I170 HydrophobicContact CB-CG1 4.43Å; M83-I170 HydrophobicContact CB-CG2 3.97Å; M83-I170 HydrophobicContact CE-CG2 3.61Å; M83-V174 HydrophobicContact CE-CG2 3.87Å |
| 84 | G | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | K11 L12 L13 E116 | K11-G84 PolarHBondContact O-N 2.85Å; L12-G84 VanDerWaalsContact CA-O 3.28Å; L12-G84 WeakPolarHBondContact CA-O 3.35Å; L13-G84 PolarHBondContact N-O 3.32Å; G84-E116 CarbonylContact C-O 3.57Å; G84-E116 VanDerWaalsContact CA-O 3.25Å; G84-E116 WeakPolarHBondContact CA-O 3.44Å |
| 85 | I | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.6 | 176.1 | -60.6 | 177.5 | 0 | 0 | 0 | 108.7 | L13 I15 Y79 A82 I107 A111 V115 E116 R117 M118 | L13-I85 HydrophobicContact CB-CG1 4.2Å; L13-I85 WeakPolarHBondContact O-CA 3.48Å; I15-I85 HydrophobicContact CD1-CG2 3.72Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.47Å; Y79-I85 HydrophobicContact CD1-CD1 3.68Å; Y79-I85 HydrophobicContact CE1-CD1 4.15Å; A82-I85 HydrophobicContact CB-CD1 4.25Å; A82-I85 HydrophobicContact CB-CG1 3.94Å; I85-I107 HydrophobicContact CB-CD1 4.45Å; I85-I107 HydrophobicContact CD1-CG1 4.05Å; I85-I107 HydrophobicContact CD1-CG2 3.99Å; I85-I107 HydrophobicContact CG2-CD1 3.84Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; I85-A111 HydrophobicContact CD1-CB 3.91Å; I85-V115 HydrophobicContact CD1-CG2 3.88Å; I85-V115 HydrophobicContact CG1-CG2 3.75Å; I85-E116 PolarHBondContact N-O 2.81Å; I85-R117 WeakPolarHBondContact O-CA 3.25Å; I85-M118 PolarHBondContact O-N 2.92Å |
| 86 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 112.7 | 172.4 | -59.5 | 177.8 | 0 | 0 | 0 | 107.5 | L13 L14 I15 V88 M118 L120 F163 L166 | L13-I86 PolarHBondContact O-N 3.01Å; L14-I86 WeakPolarHBondContact CA-O 3.49Å; L14-I86 HydrophobicContact CD2-CB 3.61Å; L14-I86 HydrophobicContact CD2-CD1 3.74Å; L14-I86 HydrophobicContact CD2-CG1 4.08Å; L14-I86 HydrophobicContact CD2-CG2 4.06Å; I15-I86 PolarHBondContact N-O 2.9Å; I86-V88 HydrophobicContact CG2-CG2 3.88Å; I86-M118 CarbonylContact C-O 3.54Å; I86-M118 WeakPolarHBondContact CA-O 3.39Å; I86-L120 HydrophobicContact CG2-CD1 3.32Å; I86-L120 HydrophobicContact CG2-CG 3.65Å; I86-F163 HydrophobicContact CD1-CD1 3.97Å; I86-F163 HydrophobicContact CD1-CE1 3.66Å; I86-F163 HydrophobicContact CD1-CZ 3.99Å; I86-L166 HydrophobicContact CD1-CD2 3.84Å; I86-L166 HydrophobicContact CG1-CD2 3.43Å; I86-L166 VanDerWaalsContact CG1-CD2 3.43Å |
| 87 | L | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.2 | 173.2 | 174.5 | 55.5 | 0 | 0 | 0 | 109.2 | I15 I100 W103 L104 M118 L119 L120 | I15-L87 HydrophobicContact CD1-CB 4.48Å; I15-L87 HydrophobicContact CD1-CD1 4.12Å; I15-L87 HydrophobicContact CG1-CB 4.15Å; I15-L87 HydrophobicContact CG1-CD1 3.86Å; L87-I100 HydrophobicContact CD1-CD1 4.05Å; L87-I100 HydrophobicContact CD2-CD1 3.65Å; L87-I100 HydrophobicContact CD2-CG2 3.92Å; L87-I100 HydrophobicContact CG-CD1 3.61Å; L87-W103 HydrophobicContact CD1-CB 3.48Å; L87-W103 VanDerWaalsContact CD1-CB 3.48Å; L87-W103 HydrophobicContact CD1-CD2 4.4Å; L87-W103 HydrophobicContact CD1-CG 3.68Å; L87-W103 HydrophobicContact CD2-CB 3.84Å; L87-W103 HydrophobicContact CG-CB 4.34Å; L87-L104 HydrophobicContact CD2-CD2 3.94Å; L87-L104 HydrophobicContact CD2-CG 3.91Å; L87-M118 PolarHBondContact N-O 2.78Å; L87-L119 HydrophobicContact CB-CD1 4.38Å; L87-L119 HydrophobicContact CD2-CD1 4.3Å; L87-L119 HydrophobicContact CG-CD1 4.02Å; L87-L119 CarbonylContact O-C 3.57Å; L87-L119 WeakPolarHBondContact O-CA 3.34Å; L87-L120 PolarHBondContact O-N 3.5Å |
| 88 | V | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.1 | -173.7 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | I15 V20 K22 I25 I86 L120 N122 | I15-V88 PolarHBondContact O-N 3.25Å; V20-V88 HydrophobicContact CB-CG1 4.2Å; V20-V88 HydrophobicContact CG2-CB 3.84Å; V20-V88 HydrophobicContact CG2-CG1 3.8Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.11Å; I25-V88 HydrophobicContact CD1-CG1 3.74Å; I25-V88 HydrophobicContact CD1-CG2 4.05Å; I86-V88 HydrophobicContact CG2-CG2 3.88Å; V88-L120 WeakPolarHBondContact CA-O 3.34Å; V88-L120 HydrophobicContact CG1-CB 4.49Å; V88-L120 HydrophobicContact CG2-CB 4.41Å; V88-N122 HydrophobicContact CG1-CB 3.73Å |
| 89 | Y | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 167.6 | 162.5 | 73.7 | -83.8 | 0 | 0 | 0 | 110.6 | I91 F97 I100 L119 L120 N122 V132 F148 | Y89-I91 HydrophobicContact CE2-CG2 3.89Å; Y89-F97 HydrophobicContact CD1-CD2 4.15Å; Y89-F97 HydrophobicContact CD2-CB 4Å; Y89-F97 AromaticContact CD2-CD2 3.87Å; Y89-F97 HydrophobicContact CD2-CD2 3.87Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 HydrophobicContact CE1-CD2 4.01Å; Y89-F97 HydrophobicContact CE1-CE2 4.35Å; Y89-F97 AromaticContact CE2-CD2 3.76Å; Y89-F97 HydrophobicContact CE2-CD2 3.76Å; Y89-F97 HydrophobicContact CG-CB 4.38Å; Y89-F97 HydrophobicContact CG-CD2 4.07Å; Y89-F97 AromaticContact CZ-CD2 3.82Å; Y89-I100 HydrophobicContact CD1-CD1 4.07Å; Y89-I100 HydrophobicContact CG-CD1 4.45Å; Y89-L119 HydrophobicContact CD1-CD1 3.79Å; Y89-L119 HydrophobicContact CD1-CG 4.29Å; Y89-L119 HydrophobicContact CE1-CD1 4.11Å; Y89-L119 HydrophobicContact CE1-CD2 4.25Å; Y89-L119 HydrophobicContact CE1-CG 4.09Å; Y89-L120 WeakPolarHBondContact CD1-O 3.3Å; Y89-L120 PolarHBondContact N-O 3.37Å; Y89-N122 WeakPolarHBondContact O-CB 3.42Å; Y89-N122 PolarHBondContact O-N 3.31Å; Y89-V132 HydrophobicContact CE2-CB 4.06Å; Y89-V132 HydrophobicContact CE2-CG1 3.75Å; Y89-F148 HydrophobicContact CE1-CE2 4.05Å |
| 90 | D | 98.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.9 | 176.3 | 169.3 | -0.4 | 0 | 0 | 0 | 109.4 | V20 T92 N93 S96 K123 | V20-D90 HydrophobicContact CB-CB 4.21Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.03Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CA 3.22Å; D90-T92 WeakPolarHBondContact OD1-CB 3.27Å; D90-T92 PolarHBondContact OD1-N 2.81Å; D90-T92 PolarHBondContact OD1-OG1 2.91Å; D90-T92 PolarHBondContact OD2-OG1 2.86Å; D90-N93 HydrophobicContact CB-CB 4.01Å; D90-N93 PolarHBondContact O-N 3.27Å; D90-S96 PolarHBondContact N-OG 3.45Å; D90-S96 PolarHBondContact O-OG 3.44Å; D90-K123 HydrophobicContact CB-CD 4.47Å; D90-K123 WeakPolarHBondContact OD1-CD 3.4Å; D90-K123 VanDerWaalsContact OD2-CE 3.24Å; D90-K123 WeakPolarHBondContact OD2-CE 3.04Å; D90-K123 IonicContact OD2-NZ 2.85Å; D90-K123 PolarHBondContact OD2-NZ 3.35Å |
| 91 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.2 | -176.8 | 66.5 | 152.3 | 0 | 0 | 0 | 113.3 | Y89 N122 K123 C124 R130 M131 V132 | Y89-I91 HydrophobicContact CE2-CG2 3.89Å; I91-N122 WeakPolarHBondContact CG1-O 3.46Å; I91-N122 PolarHBondContact N-O 2.94Å; I91-K123 WeakPolarHBondContact CD1-O 3.31Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.43Å; I91-C124 HydrophobicContact CD1-CB 4.44Å; I91-R130 HydrophobicContact CD1-CB 4.19Å; I91-R130 HydrophobicContact CD1-CG 4.21Å; I91-R130 VanDerWaalsContact CD1-CZ 3.44Å; I91-M131 PolarHBondContact O-N 2.86Å; I91-V132 PolarHBondContact O-N 3.38Å |
| 92 | T | 98.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.9 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | D90 M126 K129 M131 | D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.03Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CA 3.22Å; D90-T92 WeakPolarHBondContact OD1-CB 3.27Å; D90-T92 PolarHBondContact OD1-N 2.81Å; D90-T92 PolarHBondContact OD1-OG1 2.91Å; D90-T92 PolarHBondContact OD2-OG1 2.86Å; T92-M126 HydrophobicContact CG2-CB 3.72Å; T92-M126 HydrophobicContact CG2-SD 4.13Å; T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.91Å; T92-K129 WeakPolarHBondContact CG2-O 3.26Å; T92-M131 WeakPolarHBondContact O-CG 3.47Å |
| 93 | N | 98.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 30% | 0.299 | 16% | 0.155 | S | C | . | . | trans | -124.6 | 93.3 | -175.4 | -178.3 | -2 | 0 | 0 | 0 | 111.6 | D90 K95 S96 | D90-N93 HydrophobicContact CB-CB 4.01Å; D90-N93 PolarHBondContact O-N 3.27Å; N93-K95 PolarHBondContact O-N 2.96Å; N93-K95 WeakPolarHBondContact OD1-CB 3.29Å; N93-K95 PolarHBondContact OD1-N 3.07Å; N93-S96 WeakPolarHBondContact O-CB 3.37Å; N93-S96 PolarHBondContact O-N 2.88Å; N93-S96 PolarHBondContact O-OG 3.18Å | ||
| 94 | P | 98 | Very high | 97.3 | Very high | 42 Ų | 42 | 27.4 Ų | 27.4 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -54.7 | -36.6 | -179.4 | -29.1 | 37.4 | 0 | 0 | 0 | 114.2 | S96 F97 D98 M131 | P94-S96 VanDerWaalsContact C-N 3.25Å; P94-S96 PolarHBondContact O-N 2.77Å; P94-F97 WeakPolarHBondContact O-CA 3.48Å; P94-F97 WeakPolarHBondContact O-CB 3.09Å; P94-F97 PolarHBondContact O-N 3.13Å; P94-D98 VanDerWaalsContact O-CG 3.29Å; P94-D98 PolarHBondContact O-N 3.34Å; P94-M131 HydrophobicContact CG-CB 3.55Å; P94-M131 HydrophobicContact CG-CG 4.39Å |
| 95 | K | 97.9 | Very high | 97.1 | Very high | 141 Ų | 141 | 34.1 Ų | 34.1 | 61% | 0.613 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -60.2 | -37.1 | 179.7 | -175.9 | 177.3 | 178.6 | 177.2 | 0 | 112.1 | N93 F97 D98 N99 | N93-K95 PolarHBondContact O-N 2.96Å; N93-K95 WeakPolarHBondContact OD1-CB 3.29Å; N93-K95 PolarHBondContact OD1-N 3.07Å; K95-F97 VanDerWaalsContact C-N 3.26Å; K95-F97 PolarHBondContact O-N 3.47Å; K95-D98 PolarHBondContact O-N 2.79Å; K95-N99 WeakPolarHBondContact O-CB 3.21Å; K95-N99 PolarHBondContact O-N 2.89Å; K95-N99 VanDerWaalsContact O-N 3.1Å; K95-N99 PolarHBondContact O-ND2 2.86Å |
| 96 | S | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -30 | 176.9 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | D90 N93 P94 | D90-S96 PolarHBondContact N-OG 3.45Å; D90-S96 PolarHBondContact O-OG 3.44Å; N93-S96 WeakPolarHBondContact O-CB 3.37Å; N93-S96 PolarHBondContact O-N 2.88Å; N93-S96 PolarHBondContact O-OG 3.18Å; P94-S96 VanDerWaalsContact C-N 3.25Å; P94-S96 PolarHBondContact O-N 2.77Å |
| 97 | F | 98.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 35 Ų | 35 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.8 | -43.7 | 173.4 | -178.4 | -92.6 | 0 | 0 | 0 | 111.7 | Y89 P94 K95 N99 I100 V132 R136 I140 | Y89-F97 HydrophobicContact CD1-CD2 4.15Å; Y89-F97 HydrophobicContact CD2-CB 4Å; Y89-F97 AromaticContact CD2-CD2 3.87Å; Y89-F97 HydrophobicContact CD2-CD2 3.87Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 HydrophobicContact CE1-CD2 4.01Å; Y89-F97 HydrophobicContact CE1-CE2 4.35Å; Y89-F97 AromaticContact CE2-CD2 3.76Å; Y89-F97 HydrophobicContact CE2-CD2 3.76Å; Y89-F97 HydrophobicContact CG-CB 4.38Å; Y89-F97 HydrophobicContact CG-CD2 4.07Å; Y89-F97 AromaticContact CZ-CD2 3.82Å; P94-F97 WeakPolarHBondContact O-CA 3.48Å; P94-F97 WeakPolarHBondContact O-CB 3.09Å; P94-F97 PolarHBondContact O-N 3.13Å; K95-F97 VanDerWaalsContact C-N 3.26Å; K95-F97 PolarHBondContact O-N 3.47Å; F97-N99 PolarHBondContact O-N 3.39Å; F97-I100 HydrophobicContact CD2-CG1 4.38Å; F97-I100 WeakPolarHBondContact O-CB 3.41Å; F97-I100 WeakPolarHBondContact O-CG1 3.43Å; F97-I100 PolarHBondContact O-N 3.42Å; F97-V132 HydrophobicContact CB-CG1 4.2Å; F97-V132 HydrophobicContact CB-CG2 3.84Å; F97-V132 HydrophobicContact CD1-CG1 4.25Å; F97-V132 HydrophobicContact CD2-CG1 3.62Å; F97-V132 HydrophobicContact CE2-CG1 4.01Å; F97-V132 HydrophobicContact CG-CG1 3.74Å; F97-V132 HydrophobicContact CG-CG2 4.25Å; F97-V132 HydrophobicContact CZ-CG1 4.5Å; F97-R136 VanDerWaalsContact CD1-NH2 3.33Å; F97-R136 HydrophobicContact CE1-CB 4.25Å; F97-R136 HydrophobicContact CE2-CB 4.35Å; F97-R136 HydrophobicContact CZ-CB 3.81Å; F97-R136 WeakPolarHBondContact CZ-O 3.45Å; F97-I140 HydrophobicContact CE2-CG2 3.85Å; F97-I140 HydrophobicContact CZ-CB 4.28Å; F97-I140 HydrophobicContact CZ-CD1 4.33Å; F97-I140 HydrophobicContact CZ-CG2 3.9Å |
| 98 | D | 97.5 | Very high | 96.4 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -29.7 | 178.3 | -60.7 | -25 | 0 | 0 | 0 | 111.9 | P94 K95 I100 R136 | P94-D98 VanDerWaalsContact O-CG 3.29Å; P94-D98 PolarHBondContact O-N 3.34Å; K95-D98 PolarHBondContact O-N 2.79Å; D98-I100 VanDerWaalsContact C-N 3.31Å; D98-I100 PolarHBondContact O-N 3.14Å; D98-R136 IonicContact OD1-NH2 2.71Å |
| 99 | N | 96.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -8.3 | 175.7 | -75.1 | -25.9 | 0 | 0 | 0 | 114.6 | D17 K95 F97 A101 K102 W103 | D17-N99 PolarHBondContact OD2-ND2 3.17Å; K95-N99 WeakPolarHBondContact O-CB 3.21Å; K95-N99 PolarHBondContact O-N 2.89Å; K95-N99 VanDerWaalsContact O-N 3.1Å; K95-N99 PolarHBondContact O-ND2 2.86Å; F97-N99 PolarHBondContact O-N 3.39Å; N99-A101 VanDerWaalsContact C-N 3.28Å; N99-A101 PolarHBondContact O-N 2.95Å; N99-K102 WeakPolarHBondContact O-CB 3.27Å; N99-K102 PolarHBondContact O-N 2.84Å; N99-W103 PolarHBondContact O-N 3.06Å; N99-W103 VanDerWaalsContact O-N 3.14Å |
| 100 | I | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.7 | -44.9 | 178.9 | -70.2 | -71 | 0 | 0 | 0 | 111.4 | L87 Y89 F97 D98 K102 W103 L104 L119 I140 | L87-I100 HydrophobicContact CD1-CD1 4.05Å; L87-I100 HydrophobicContact CD2-CD1 3.65Å; L87-I100 HydrophobicContact CD2-CG2 3.92Å; L87-I100 HydrophobicContact CG-CD1 3.61Å; Y89-I100 HydrophobicContact CD1-CD1 4.07Å; Y89-I100 HydrophobicContact CG-CD1 4.45Å; F97-I100 HydrophobicContact CD2-CG1 4.38Å; F97-I100 WeakPolarHBondContact O-CB 3.41Å; F97-I100 WeakPolarHBondContact O-CG1 3.43Å; F97-I100 PolarHBondContact O-N 3.42Å; D98-I100 VanDerWaalsContact C-N 3.31Å; D98-I100 PolarHBondContact O-N 3.14Å; I100-K102 PolarHBondContact O-N 2.71Å; I100-W103 PolarHBondContact O-N 3.15Å; I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 HydrophobicContact CG2-CG 4.08Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 3Å; I100-L119 HydrophobicContact CD1-CD1 3.35Å; I100-L119 HydrophobicContact CG1-CD1 4.33Å; I100-I140 HydrophobicContact CB-CD1 4Å; I100-I140 HydrophobicContact CG2-CD1 3.53Å; I100-I140 HydrophobicContact CG2-CG1 4.22Å |
| 101 | A | 94.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -35.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N99 R105 | N99-A101 VanDerWaalsContact C-N 3.28Å; N99-A101 PolarHBondContact O-N 2.95Å; A101-R105 WeakPolarHBondContact O-CG 2.86Å; A101-R105 PolarHBondContact O-N 3.31Å; A101-R105 VanDerWaalsContact O-N 3.1Å; A101-R105 PolarHBondContact O-NH1 2.57Å |
| 102 | K | 93.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 174.5 | 177.2 | 179.3 | 175.4 | 166.9 | 0 | 111.3 | E69 N99 I100 R105 N106 | E69-K102 IonicContact OE1-NZ 2.8Å; E69-K102 PolarHBondContact OE1-NZ 2.71Å; N99-K102 WeakPolarHBondContact O-CB 3.27Å; N99-K102 PolarHBondContact O-N 2.84Å; I100-K102 PolarHBondContact O-N 2.71Å; K102-R105 PolarHBondContact O-N 3.14Å; K102-N106 PolarHBondContact O-N 3.49Å; K102-N106 VanDerWaalsContact O-N 3.09Å; K102-N106 PolarHBondContact O-ND2 2.92Å |
| 103 | W | 94.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.2 | -71.9 | 109.4 | 0 | 0 | 0 | 112.6 | I15 G16 D17 T75 L87 N99 I100 N106 I107 | I15-W103 HydrophobicContact CB-CE3 4.13Å; I15-W103 HydrophobicContact CB-CZ3 4.19Å; I15-W103 HydrophobicContact CD1-CB 4.32Å; I15-W103 HydrophobicContact CD1-CE3 3.97Å; I15-W103 HydrophobicContact CG1-CE3 4.44Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å; D17-W103 PolarHBondContact OD1-NE1 2.89Å; T75-W103 HydrophobicContact CG2-CZ3 4.46Å; L87-W103 HydrophobicContact CD1-CB 3.48Å; L87-W103 VanDerWaalsContact CD1-CB 3.48Å; L87-W103 HydrophobicContact CD1-CD2 4.4Å; L87-W103 HydrophobicContact CD1-CG 3.68Å; L87-W103 HydrophobicContact CD2-CB 3.84Å; L87-W103 HydrophobicContact CG-CB 4.34Å; N99-W103 PolarHBondContact O-N 3.06Å; N99-W103 VanDerWaalsContact O-N 3.14Å; I100-W103 PolarHBondContact O-N 3.15Å; W103-N106 WeakPolarHBondContact O-CB 3.39Å; W103-N106 PolarHBondContact O-N 2.95Å; W103-I107 WeakPolarHBondContact O-CG1 3.47Å; W103-I107 PolarHBondContact O-N 3.33Å |
| 104 | L | 94.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.6 | -70.2 | 171.7 | 0 | 0 | 0 | 112.3 | L87 I100 I107 N108 H144 I146 | L87-L104 HydrophobicContact CD2-CD2 3.94Å; L87-L104 HydrophobicContact CD2-CG 3.91Å; I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 HydrophobicContact CG2-CG 4.08Å; I100-L104 WeakPolarHBondContact O-CG 3.22Å; I100-L104 PolarHBondContact O-N 3Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 PolarHBondContact O-N 2.75Å; L104-N108 PolarHBondContact O-N 2.79Å; L104-N108 PolarHBondContact O-ND2 2.68Å; L104-H144 HydrophobicContact CD1-CB 4.14Å; L104-H144 WeakPolarHBondContact CD1-CD2 3.44Å; L104-I146 HydrophobicContact CD2-CD1 3.82Å |
| 105 | R | 93.3 | Very high | 94.4 | Very high | 140 Ų | 140 | 59.9 Ų | 59.9 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 170.8 | -74.2 | -170.6 | -60.5 | -92.1 | 5.4 | 111.5 | A101 K102 I107 N108 D109 | A101-R105 WeakPolarHBondContact O-CG 2.86Å; A101-R105 PolarHBondContact O-N 3.31Å; A101-R105 VanDerWaalsContact O-N 3.1Å; A101-R105 PolarHBondContact O-NH1 2.57Å; K102-R105 PolarHBondContact O-N 3.14Å; R105-I107 VanDerWaalsContact C-N 3.28Å; R105-I107 PolarHBondContact O-N 2.98Å; R105-N108 WeakPolarHBondContact O-CB 3.5Å; R105-N108 PolarHBondContact O-N 2.82Å; R105-D109 PolarHBondContact O-N 3.01Å |
| 106 | N | 91.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.9 | -67.9 | -31 | 0 | 0 | 0 | 113.1 | H72 K102 W103 H110 | H72-N106 PolarHBondContact NE2-ND2 3.42Å; H72-N106 PolarHBondContact NE2-OD1 2.86Å; K102-N106 PolarHBondContact O-N 3.49Å; K102-N106 VanDerWaalsContact O-N 3.09Å; K102-N106 PolarHBondContact O-ND2 2.92Å; W103-N106 WeakPolarHBondContact O-CB 3.39Å; W103-N106 PolarHBondContact O-N 2.95Å; N106-H110 PolarHBondContact O-N 3.2Å; N106-H110 PolarHBondContact O-ND1 2.98Å |
| 107 | I | 93.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 173 | -66.4 | 168.3 | 0 | 0 | 0 | 109.9 | I15 Y79 I85 W103 L104 R105 D109 H110 A111 V115 R117 | I15-I107 HydrophobicContact CD1-CD1 3.76Å; I15-I107 HydrophobicContact CD1-CG1 3.73Å; Y79-I107 HydrophobicContact CD1-CG1 4.24Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.62Å; I85-I107 HydrophobicContact CB-CD1 4.45Å; I85-I107 HydrophobicContact CD1-CG1 4.05Å; I85-I107 HydrophobicContact CD1-CG2 3.99Å; I85-I107 HydrophobicContact CG2-CD1 3.84Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; W103-I107 WeakPolarHBondContact O-CG1 3.47Å; W103-I107 PolarHBondContact O-N 3.33Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 PolarHBondContact O-N 2.75Å; R105-I107 VanDerWaalsContact C-N 3.28Å; R105-I107 PolarHBondContact O-N 2.98Å; I107-D109 VanDerWaalsContact C-N 3.26Å; I107-D109 PolarHBondContact O-N 3.1Å; I107-H110 PolarHBondContact O-N 3.44Å; I107-A111 HydrophobicContact CG2-CB 3.96Å; I107-A111 VanDerWaalsContact O-CB 3.24Å; I107-A111 WeakPolarHBondContact O-CB 3.27Å; I107-A111 PolarHBondContact O-N 2.91Å; I107-V115 HydrophobicContact CG2-CG1 4.01Å; I107-R117 HydrophobicContact CG2-CG 4.44Å |
| 108 | N | 93.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | -178.7 | -69.4 | -26.5 | 0 | 0 | 0 | 112.7 | L104 R105 R117 | L104-N108 PolarHBondContact O-N 2.79Å; L104-N108 PolarHBondContact O-ND2 2.68Å; R105-N108 WeakPolarHBondContact O-CB 3.5Å; R105-N108 PolarHBondContact O-N 2.82Å; N108-R117 VanDerWaalsContact OD1-CZ 3.26Å; N108-R117 PolarHBondContact OD1-NH1 3.5Å; N108-R117 PolarHBondContact OD1-NH2 3.34Å |
| 109 | D | 92.9 | Very high | 94.5 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -78 | -23.7 | -175.2 | -62.8 | -20.1 | 0 | 0 | 0 | 113.2 | R105 I107 | R105-D109 PolarHBondContact O-N 3.01Å; I107-D109 VanDerWaalsContact C-N 3.26Å; I107-D109 PolarHBondContact O-N 3.1Å |
| 110 | H | 92.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 33% | 0.329 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -132.9 | -20.5 | -166.8 | -52 | 107.8 | 0 | 0 | 0 | 116.5 | T76 Y79 N106 I107 | T76-H110 HydrophobicContact CG2-CB 4.17Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.47Å; Y79-H110 HydrophobicContact CD2-CB 4.42Å; Y79-H110 HydrophobicContact CG-CB 4.08Å; N106-H110 PolarHBondContact O-N 3.2Å; N106-H110 PolarHBondContact O-ND1 2.98Å; I107-H110 PolarHBondContact O-N 3.44Å |
| 111 | A | 94.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.5 | 165.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y79 I85 I107 V115 | Y79-A111 HydrophobicContact CD1-CB 4.2Å; I85-A111 HydrophobicContact CD1-CB 3.91Å; I107-A111 HydrophobicContact CG2-CB 3.96Å; I107-A111 VanDerWaalsContact O-CB 3.24Å; I107-A111 WeakPolarHBondContact O-CB 3.27Å; I107-A111 PolarHBondContact O-N 2.91Å; A111-V115 HydrophobicContact CB-CB 4.24Å; A111-V115 HydrophobicContact CB-CG1 3.79Å |
| 112 | N | 92.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | trans | -64.9 | 148 | 170 | -61.9 | -12.3 | 0 | 0 | 0 | 110.1 | D114 V115 | N112-D114 WeakPolarHBondContact CB-OD1 3.45Å; N112-D114 PolarHBondContact O-N 3.28Å; N112-V115 WeakPolarHBondContact O-CB 3.09Å; N112-V115 WeakPolarHBondContact O-CG1 3.35Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.13Å | ||
| 113 | E | 90.3 | Very high | 95.1 | Very high | 196 Ų | 196 | 46.7 Ų | 46.7 | 92% | 0.916 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.3 | -179.9 | -65.7 | -177.1 | 173.3 | 0 | 0 | 112.8 | V115 | E113-V115 VanDerWaalsContact C-N 3.35Š|
| 114 | D | 90.7 | Very high | 95.3 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | -177.2 | 69 | -27.1 | 0 | 0 | 0 | 114.3 | N112 E116 K173 | N112-D114 WeakPolarHBondContact CB-OD1 3.45Å; N112-D114 PolarHBondContact O-N 3.28Å; D114-E116 PolarHBondContact O-N 3.46Å; D114-K173 PolarHBondContact O-NZ 2.98Å |
| 115 | V | 96 | Very high | 95.5 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | trans | -56.1 | 131.7 | -177.6 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | A82 I85 I107 A111 N112 E113 R117 | A82-V115 HydrophobicContact CB-CG2 4.47Å; A82-V115 WeakPolarHBondContact O-CG2 3.43Å; I85-V115 HydrophobicContact CD1-CG2 3.88Å; I85-V115 HydrophobicContact CG1-CG2 3.75Å; I107-V115 HydrophobicContact CG2-CG1 4.01Å; A111-V115 HydrophobicContact CB-CB 4.24Å; A111-V115 HydrophobicContact CB-CG1 3.79Å; N112-V115 WeakPolarHBondContact O-CB 3.09Å; N112-V115 WeakPolarHBondContact O-CG1 3.35Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.13Å; E113-V115 VanDerWaalsContact C-N 3.35Å; V115-R117 HydrophobicContact CG1-CG 4.08Å | ||
| 116 | E | 97.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 141.1 | 172.5 | -77.7 | -64.7 | 153.6 | 0 | 0 | 111.1 | M83 G84 I85 D114 L166 A169 I170 K173 | M83-E116 PolarHBondContact O-N 2.97Å; G84-E116 CarbonylContact C-O 3.57Å; G84-E116 VanDerWaalsContact CA-O 3.25Å; G84-E116 WeakPolarHBondContact CA-O 3.44Å; I85-E116 PolarHBondContact N-O 2.81Å; D114-E116 PolarHBondContact O-N 3.46Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; E116-A169 HydrophobicContact CG-CB 3.85Å; E116-I170 HydrophobicContact CB-CG1 3.84Å; E116-I170 HydrophobicContact CG-CG1 3.77Å; E116-K173 HydrophobicContact CG-CD 4.09Å; E116-K173 WeakPolarHBondContact OE1-CD 3.18Å; E116-K173 WeakPolarHBondContact OE1-CE 3.21Å; E116-K173 IonicContact OE1-NZ 2.66Å; E116-K173 PolarHBondContact OE1-NZ 3.31Å |
| 117 | R | 97.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.2 | -171.9 | -56.8 | 172.5 | -163.9 | -171.8 | -4.1 | 110.7 | I85 I107 N108 V115 I146 R147 | I85-R117 WeakPolarHBondContact O-CA 3.25Å; I107-R117 HydrophobicContact CG2-CG 4.44Å; N108-R117 VanDerWaalsContact OD1-CZ 3.26Å; N108-R117 PolarHBondContact OD1-NH1 3.5Å; N108-R117 PolarHBondContact OD1-NH2 3.34Å; V115-R117 HydrophobicContact CG1-CG 4.08Å; R117-I146 HydrophobicContact CB-CB 4.06Å; R117-I146 HydrophobicContact CB-CG2 3.5Å; R117-I146 HydrophobicContact CG-CG2 4.36Å; R117-R147 PolarHBondContact O-N 2.69Å |
| 118 | M | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.7 | 175.6 | -177.2 | 173.6 | -73.2 | 0 | 0 | 110.2 | I85 I86 L87 L120 R147 L149 A162 D165 L166 | I85-M118 PolarHBondContact O-N 2.92Å; I86-M118 CarbonylContact C-O 3.54Å; I86-M118 WeakPolarHBondContact CA-O 3.39Å; L87-M118 PolarHBondContact N-O 2.78Å; M118-L120 HydrophobicContact CG-CD2 3.87Å; M118-L120 HydrophobicContact CG-CG 4.4Å; M118-L120 HydrophobicContact SD-CD2 3.77Å; M118-R147 CarbonylContact C-O 3.57Å; M118-R147 WeakPolarHBondContact CA-O 3.32Å; M118-R147 HydrophobicContact CB-CB 4.38Å; M118-R147 HydrophobicContact CE-CB 3.93Å; M118-R147 HydrophobicContact CG-CB 4.18Å; M118-L149 HydrophobicContact SD-CD1 4.44Å; M118-A162 WeakPolarHBondContact CE-O 3.29Å; M118-A162 HydrophobicContact SD-CB 3.75Å; M118-D165 HydrophobicContact CE-CB 3.87Å; M118-L166 HydrophobicContact CE-CB 4.12Å |
| 119 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.7 | 171.5 | 179.8 | 62.5 | 0 | 0 | 0 | 109.6 | L87 Y89 I100 I140 A141 I146 R147 F148 L149 | L87-L119 HydrophobicContact CB-CD1 4.38Å; L87-L119 HydrophobicContact CD2-CD1 4.3Å; L87-L119 HydrophobicContact CG-CD1 4.02Å; L87-L119 CarbonylContact O-C 3.57Å; L87-L119 WeakPolarHBondContact O-CA 3.34Å; Y89-L119 HydrophobicContact CD1-CD1 3.79Å; Y89-L119 HydrophobicContact CD1-CG 4.29Å; Y89-L119 HydrophobicContact CE1-CD1 4.11Å; Y89-L119 HydrophobicContact CE1-CD2 4.25Å; Y89-L119 HydrophobicContact CE1-CG 4.09Å; I100-L119 HydrophobicContact CD1-CD1 3.35Å; I100-L119 HydrophobicContact CG1-CD1 4.33Å; L119-I140 HydrophobicContact CD2-CG2 3.48Å; L119-I140 VanDerWaalsContact CD2-CG2 3.48Å; L119-A141 HydrophobicContact CD2-CB 4.25Å; L119-I146 HydrophobicContact CB-CD1 3.87Å; L119-I146 HydrophobicContact CB-CG1 4.35Å; L119-R147 PolarHBondContact N-O 3.48Å; L119-F148 HydrophobicContact CB-CD2 4.14Å; L119-F148 HydrophobicContact CD2-CD2 3.93Å; L119-F148 HydrophobicContact CD2-CE2 4.42Å; L119-F148 HydrophobicContact CG-CD2 3.88Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 WeakPolarHBondContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CD2 3.2Å; L119-L149 PolarHBondContact O-N 3.04Å; L119-L149 VanDerWaalsContact O-N 3.17Å |
| 120 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 174.1 | -58.8 | -176.8 | 0 | 0 | 0 | 111.4 | I25 I86 L87 V88 Y89 M118 N122 L149 T151 A162 | I25-L120 HydrophobicContact CD1-CD1 4.26Å; I86-L120 HydrophobicContact CG2-CD1 3.32Å; I86-L120 HydrophobicContact CG2-CG 3.65Å; L87-L120 PolarHBondContact O-N 3.5Å; V88-L120 WeakPolarHBondContact CA-O 3.34Å; V88-L120 HydrophobicContact CG1-CB 4.49Å; V88-L120 HydrophobicContact CG2-CB 4.41Å; Y89-L120 WeakPolarHBondContact CD1-O 3.3Å; Y89-L120 PolarHBondContact N-O 3.37Å; M118-L120 HydrophobicContact CG-CD2 3.87Å; M118-L120 HydrophobicContact CG-CG 4.4Å; M118-L120 HydrophobicContact SD-CD2 3.77Å; L120-N122 PolarHBondContact O-N 3.24Å; L120-L149 VanDerWaalsContact CA-O 3.29Å; L120-L149 WeakPolarHBondContact CA-O 3.48Å; L120-L149 HydrophobicContact CD2-CB 3.87Å; L120-T151 HydrophobicContact CB-CG2 4.49Å; L120-T151 HydrophobicContact CD1-CG2 4.09Å; L120-T151 HydrophobicContact CD2-CG2 3.87Å; L120-T151 HydrophobicContact CG-CG2 4.38Å; L120-A162 HydrophobicContact CD1-CB 4.13Å; L120-A162 HydrophobicContact CD2-CB 3.88Å |
| 121 | G | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 95.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L149 E150 T151 | G121-L149 PolarHBondContact N-O 3.01Å; G121-E150 CarbonylContact O-C 3.52Å; G121-E150 VanDerWaalsContact O-CA 3.23Å; G121-E150 WeakPolarHBondContact O-CA 3.47Å; G121-T151 PolarHBondContact O-N 2.81Å |
| 122 | N | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 161.3 | -174.7 | -169.7 | 42.4 | 0 | 0 | 0 | 112.8 | V20 I25 V88 Y89 I91 L120 T151 A153 | V20-N122 PolarHBondContact O-ND2 3.34Å; I25-N122 HydrophobicContact CD1-CB 4.1Å; V88-N122 HydrophobicContact CG1-CB 3.73Å; Y89-N122 WeakPolarHBondContact O-CB 3.42Å; Y89-N122 PolarHBondContact O-N 3.31Å; I91-N122 WeakPolarHBondContact CG1-O 3.46Å; I91-N122 PolarHBondContact N-O 2.94Å; L120-N122 PolarHBondContact O-N 3.24Å; N122-T151 CarbonylContact C-O 3.38Å; N122-T151 VanDerWaalsContact CA-O 3.28Å; N122-T151 WeakPolarHBondContact CA-O 3.44Å; N122-T151 PolarHBondContact OD1-O 3.27Å; N122-T151 PolarHBondContact OD1-OG1 3.4Å; N122-A153 PolarHBondContact OD1-N 3.01Å |
| 123 | K | 98.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | trans | 72.2 | 33.9 | -178.1 | -45.4 | -172.3 | -165.8 | 170 | 0 | 113.5 | G19 D90 I91 D125 M126 T151 | G19-K123 PolarHBondContact O-NZ 3.33Å; D90-K123 HydrophobicContact CB-CD 4.47Å; D90-K123 WeakPolarHBondContact OD1-CD 3.4Å; D90-K123 VanDerWaalsContact OD2-CE 3.24Å; D90-K123 WeakPolarHBondContact OD2-CE 3.04Å; D90-K123 IonicContact OD2-NZ 2.85Å; D90-K123 PolarHBondContact OD2-NZ 3.35Å; I91-K123 WeakPolarHBondContact CD1-O 3.31Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.43Å; K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 3.34Å; K123-D125 VanDerWaalsContact O-N 3.09Å; K123-M126 HydrophobicContact CB-CG 4.4Å; K123-M126 HydrophobicContact CB-SD 4.44Å; K123-M126 HydrophobicContact CD-SD 4.35Å; K123-M126 WeakPolarHBondContact O-CB 3.23Å; K123-M126 PolarHBondContact O-N 2.7Å; K123-T151 PolarHBondContact N-O 3.14Å | ||
| 124 | C | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.6 | 176.2 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | I91 M126 E150 T151 | I91-C124 HydrophobicContact CD1-CB 4.44Å; C124-M126 PolarHBondContact O-N 3.49Å; C124-E150 HydrophobicContact CB-CB 4.03Å; C124-T151 PolarHBondContact N-O 3.18Å; C124-T151 VanDerWaalsContact N-O 3.13Å; C124-T151 PolarHBondContact SG-O 3.42Å; C124-T151 VanDerWaalsContact SG-O 3.4Å |
| 125 | D | 98.1 | Very high | 98.1 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 22% | 0.219 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.2 | 167.1 | 59.9 | -75.7 | 0 | 0 | 0 | 113.3 | K123 E127 S152 K154 D155 | K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 3.34Å; K123-D125 VanDerWaalsContact O-N 3.09Å; D125-E127 VanDerWaalsContact C-N 3.35Å; D125-E127 PolarHBondContact O-N 3.21Å; D125-S152 VanDerWaalsContact CG-OG 3.23Å; D125-S152 VanDerWaalsContact OD1-CB 3.3Å; D125-S152 WeakPolarHBondContact OD1-CB 3.22Å; D125-S152 PolarHBondContact OD1-OG 3.28Å; D125-K154 WeakPolarHBondContact OD2-CD 3.44Å; D125-K154 IonicContact OD2-NZ 3.47Å; D125-D155 WeakPolarHBondContact CB-OD2 3.47Å |
| 126 | M | 97.4 | Very high | 98.2 | Very high | 71 Ų | 71 | 59 Ų | 59 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | trans | -96.3 | 44.4 | -179.9 | -62.3 | -167.9 | 160.4 | 0 | 0 | 112.4 | T92 K123 C124 E128 K129 R130 | T92-M126 HydrophobicContact CG2-CB 3.72Å; T92-M126 HydrophobicContact CG2-SD 4.13Å; K123-M126 HydrophobicContact CB-CG 4.4Å; K123-M126 HydrophobicContact CB-SD 4.44Å; K123-M126 HydrophobicContact CD-SD 4.35Å; K123-M126 WeakPolarHBondContact O-CB 3.23Å; K123-M126 PolarHBondContact O-N 2.7Å; C124-M126 PolarHBondContact O-N 3.49Å; M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.37Å; M126-K129 HydrophobicContact CB-CB 4.4Å; M126-K129 CarbonylContact O-C 3.49Å; M126-K129 WeakPolarHBondContact O-CA 3.27Å; M126-K129 PolarHBondContact O-N 3.38Å; M126-R130 PolarHBondContact O-N 2.92Å | ||
| 127 | E | 97.5 | Very high | 98.3 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -54.9 | -40.5 | -174.4 | -167.9 | 58.8 | -143.7 | 0 | 0 | 113 | D125 K129 R130 | D125-E127 VanDerWaalsContact C-N 3.35Å; D125-E127 PolarHBondContact O-N 3.21Å; E127-K129 PolarHBondContact O-N 3.29Å; E127-K129 VanDerWaalsContact O-N 3.1Å; E127-R130 WeakPolarHBondContact O-CB 3.11Å; E127-R130 PolarHBondContact O-N 3.38Å; E127-R130 WeakPolarHBondContact OE1-CD 3.32Å; E127-R130 IonicContact OE1-CZ 2.63Å; E127-R130 IonicContact OE1-NE 3.58Å; E127-R130 PolarHBondContact OE1-NE 2.92Å; E127-R130 IonicContact OE1-NH2 2.7Å; E127-R130 IonicContact OE2-CZ 3.28Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.5Å; E127-R130 PolarHBondContact OE2-NE 2.58Å; E127-R130 IonicContact OE2-NH2 3.57Å; E127-R130 PolarHBondContact OE2-NH2 2.63Å |
| 128 | E | 97.8 | Very high | 98.3 | Very high | 201 Ų | 201 | 59.1 Ų | 59.1 | 94% | 0.939 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -62.4 | -18.7 | 176.7 | -61 | -179.2 | 177.6 | 0 | 0 | 114.1 | M126 | M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.37Å |
| 129 | K | 98.1 | Very high | 98.3 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -110.4 | 9.7 | 178.9 | -59.8 | -178.2 | -179.1 | 178.4 | 0 | 112.2 | T92 M126 E127 M131 | T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.91Å; T92-K129 WeakPolarHBondContact CG2-O 3.26Å; M126-K129 HydrophobicContact CB-CB 4.4Å; M126-K129 CarbonylContact O-C 3.49Å; M126-K129 WeakPolarHBondContact O-CA 3.27Å; M126-K129 PolarHBondContact O-N 3.38Å; E127-K129 PolarHBondContact O-N 3.29Å; E127-K129 VanDerWaalsContact O-N 3.1Å; K129-M131 PolarHBondContact O-N 3.28Å |
| 130 | R | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | trans | -60 | 127.9 | -179.7 | 178.7 | 179.3 | -69.4 | -85.9 | 7.2 | 110.1 | I91 M126 E127 V132 E150 | I91-R130 HydrophobicContact CD1-CB 4.19Å; I91-R130 HydrophobicContact CD1-CG 4.21Å; I91-R130 VanDerWaalsContact CD1-CZ 3.44Å; M126-R130 PolarHBondContact O-N 2.92Å; E127-R130 WeakPolarHBondContact O-CB 3.11Å; E127-R130 PolarHBondContact O-N 3.38Å; E127-R130 WeakPolarHBondContact OE1-CD 3.32Å; E127-R130 IonicContact OE1-CZ 2.63Å; E127-R130 IonicContact OE1-NE 3.58Å; E127-R130 PolarHBondContact OE1-NE 2.92Å; E127-R130 IonicContact OE1-NH2 2.7Å; E127-R130 IonicContact OE2-CZ 3.28Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.5Å; E127-R130 PolarHBondContact OE2-NE 2.58Å; E127-R130 IonicContact OE2-NH2 3.57Å; E127-R130 PolarHBondContact OE2-NH2 2.63Å; R130-V132 WeakPolarHBondContact CD-O 3.37Å; R130-V132 WeakPolarHBondContact CG-O 3.38Å; R130-V132 PolarHBondContact NH1-O 3.43Å; R130-E150 IonicContact CZ-OE1 2.98Å; R130-E150 IonicContact CZ-OE2 2.88Å; R130-E150 IonicContact NH1-OE1 3.29Å; R130-E150 PolarHBondContact NH1-OE1 2.77Å; R130-E150 IonicContact NH1-OE2 3.83Å; R130-E150 IonicContact NH2-OE1 3.83Å; R130-E150 PolarHBondContact NH2-OE1 3.02Å; R130-E150 IonicContact NH2-OE2 2.8Å; R130-E150 PolarHBondContact NH2-OE2 2.83Å | ||
| 131 | M | 98.6 | Very high | 98.1 | Very high | 120 Ų | 120 | 64.9 Ų | 64.9 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | trans | -119.4 | -14 | 175.5 | -62.6 | -63.9 | -61.4 | 0 | 0 | 112.3 | I91 T92 P94 K129 | I91-M131 PolarHBondContact O-N 2.86Å; T92-M131 WeakPolarHBondContact O-CG 3.47Å; P94-M131 HydrophobicContact CG-CB 3.55Å; P94-M131 HydrophobicContact CG-CG 4.39Å; K129-M131 PolarHBondContact O-N 3.28Å | ||
| 132 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -120.2 | 118.1 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | Y89 I91 F97 R130 R136 | Y89-V132 HydrophobicContact CE2-CB 4.06Å; Y89-V132 HydrophobicContact CE2-CG1 3.75Å; I91-V132 PolarHBondContact O-N 3.38Å; F97-V132 HydrophobicContact CB-CG1 4.2Å; F97-V132 HydrophobicContact CB-CG2 3.84Å; F97-V132 HydrophobicContact CD1-CG1 4.25Å; F97-V132 HydrophobicContact CD2-CG1 3.62Å; F97-V132 HydrophobicContact CE2-CG1 4.01Å; F97-V132 HydrophobicContact CG-CG1 3.74Å; F97-V132 HydrophobicContact CG-CG2 4.25Å; F97-V132 HydrophobicContact CZ-CG1 4.5Å; R130-V132 WeakPolarHBondContact CD-O 3.37Å; R130-V132 WeakPolarHBondContact CG-O 3.38Å; R130-V132 PolarHBondContact NH1-O 3.43Å; V132-R136 HydrophobicContact CG1-CB 4.15Å |
| 133 | S | 98.3 | Very high | 98 | Very high | 42 Ų | 42 | 76.4 Ų | 76.4 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -69.9 | 154.4 | 178.7 | 91.3 | 0 | 0 | 0 | 0 | 111.1 | E135 R136 G137 | S133-E135 WeakPolarHBondContact CB-OE2 3.26Å; S133-E135 PolarHBondContact O-N 3.25Å; S133-E135 PolarHBondContact OG-N 2.71Å; S133-E135 PolarHBondContact OG-OE2 3.35Å; S133-R136 PolarHBondContact O-N 3.18Å; S133-R136 PolarHBondContact OG-N 3Å; S133-G137 PolarHBondContact O-N 3.27Å | ||
| 134 | K | 98.4 | Very high | 97.8 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 177.9 | -173 | 177.5 | -179.4 | -114 | 0 | 111.2 | R136 G137 E138 F148 E150 | K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 PolarHBondContact O-N 3.04Å; K134-G137 WeakPolarHBondContact O-CA 3.5Å; K134-G137 PolarHBondContact O-N 2.84Å; K134-E138 VanDerWaalsContact CE-OE1 3.29Å; K134-E138 WeakPolarHBondContact CE-OE1 3.41Å; K134-E138 HydrophobicContact CG-CG 4.42Å; K134-E138 IonicContact NZ-OE1 3.96Å; K134-E138 PolarHBondContact NZ-OE1 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.43Å; K134-E138 PolarHBondContact O-N 3.1Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.34Å; K134-E150 WeakPolarHBondContact CA-OE1 3.34Å; K134-E150 HydrophobicContact CD-CG 4.47Å; K134-E150 HydrophobicContact CG-CG 4.1Å |
| 135 | E | 98.4 | Very high | 97.6 | Very high | 118 Ų | 118 | 88 Ų | 88 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | 179.5 | -56.4 | 71.6 | -154.3 | 0 | 0 | 111.4 | S133 G137 E138 Q139 | S133-E135 WeakPolarHBondContact CB-OE2 3.26Å; S133-E135 PolarHBondContact O-N 3.25Å; S133-E135 PolarHBondContact OG-N 2.71Å; S133-E135 PolarHBondContact OG-OE2 3.35Å; E135-G137 VanDerWaalsContact C-N 3.34Å; E135-G137 PolarHBondContact O-N 2.88Å; E135-E138 PolarHBondContact O-N 3.41Å; E135-Q139 WeakPolarHBondContact O-CB 3.2Å; E135-Q139 PolarHBondContact O-N 3.15Å |
| 136 | R | 98 | Very high | 97.5 | Very high | 105 Ų | 105 | 87 Ų | 87 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173.8 | -71 | -177 | 68.2 | -167.5 | -0.1 | 111.6 | F97 D98 V132 S133 K134 I140 | F97-R136 VanDerWaalsContact CD1-NH2 3.33Å; F97-R136 HydrophobicContact CE1-CB 4.25Å; F97-R136 HydrophobicContact CE2-CB 4.35Å; F97-R136 HydrophobicContact CZ-CB 3.81Å; F97-R136 WeakPolarHBondContact CZ-O 3.45Å; D98-R136 IonicContact OD1-NH2 2.71Å; V132-R136 HydrophobicContact CG1-CB 4.15Å; S133-R136 PolarHBondContact O-N 3.18Å; S133-R136 PolarHBondContact OG-N 3Å; K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 PolarHBondContact O-N 3.04Å; R136-I140 WeakPolarHBondContact O-CG2 3.45Å; R136-I140 PolarHBondContact O-N 3.36Å; R136-I140 VanDerWaalsContact O-N 3.14Å |
| 137 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S133 K134 E135 I140 A141 | S133-G137 PolarHBondContact O-N 3.27Å; K134-G137 WeakPolarHBondContact O-CA 3.5Å; K134-G137 PolarHBondContact O-N 2.84Å; E135-G137 VanDerWaalsContact C-N 3.34Å; E135-G137 PolarHBondContact O-N 2.88Å; G137-I140 WeakPolarHBondContact O-CG2 3.48Å; G137-A141 VanDerWaalsContact O-CB 3.25Å; G137-A141 WeakPolarHBondContact O-CB 3.39Å; G137-A141 PolarHBondContact O-N 3.2Å; G137-A141 VanDerWaalsContact O-N 3.13Å |
| 138 | E | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 85.6 Ų | 85.6 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 175.6 | -70.3 | 173.1 | 169.6 | 0 | 0 | 111.7 | K134 E135 A141 L142 F148 | K134-E138 VanDerWaalsContact CE-OE1 3.29Å; K134-E138 WeakPolarHBondContact CE-OE1 3.41Å; K134-E138 HydrophobicContact CG-CG 4.42Å; K134-E138 IonicContact NZ-OE1 3.96Å; K134-E138 PolarHBondContact NZ-OE1 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.43Å; K134-E138 PolarHBondContact O-N 3.1Å; E135-E138 PolarHBondContact O-N 3.41Å; E138-A141 PolarHBondContact O-N 2.89Å; E138-L142 WeakPolarHBondContact O-CB 3.33Å; E138-L142 PolarHBondContact O-N 2.95Å; E138-F148 HydrophobicContact CB-CD1 4.38Å; E138-F148 HydrophobicContact CG-CD1 3.49Å; E138-F148 VanDerWaalsContact CG-CD1 3.49Å; E138-F148 HydrophobicContact CG-CE1 3.56Å |
| 139 | Q | 98.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | -178.9 | -177.3 | 60 | 36.6 | 0 | 0 | 111.8 | E135 A141 L142 E143 | E135-Q139 WeakPolarHBondContact O-CB 3.2Å; E135-Q139 PolarHBondContact O-N 3.15Å; Q139-A141 VanDerWaalsContact C-N 3.28Å; Q139-A141 PolarHBondContact O-N 2.9Å; Q139-L142 PolarHBondContact O-N 3.49Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.48Å; Q139-E143 PolarHBondContact NE2-OE1 3.48Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 3.33Å |
| 140 | I | 96.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 179.2 | -164.2 | 163 | 0 | 0 | 0 | 111.4 | F97 I100 L119 R136 G137 H144 | F97-I140 HydrophobicContact CE2-CG2 3.85Å; F97-I140 HydrophobicContact CZ-CB 4.28Å; F97-I140 HydrophobicContact CZ-CD1 4.33Å; F97-I140 HydrophobicContact CZ-CG2 3.9Å; I100-I140 HydrophobicContact CB-CD1 4Å; I100-I140 HydrophobicContact CG2-CD1 3.53Å; I100-I140 HydrophobicContact CG2-CG1 4.22Å; L119-I140 HydrophobicContact CD2-CG2 3.48Å; L119-I140 VanDerWaalsContact CD2-CG2 3.48Å; R136-I140 WeakPolarHBondContact O-CG2 3.45Å; R136-I140 PolarHBondContact O-N 3.36Å; R136-I140 VanDerWaalsContact O-N 3.14Å; G137-I140 WeakPolarHBondContact O-CG2 3.48Å; I140-H144 WeakPolarHBondContact O-CB 3.28Å; I140-H144 PolarHBondContact O-CD2 3.38Å; I140-H144 PolarHBondContact O-N 3.24Å; I140-H144 VanDerWaalsContact O-N 3.09Å |
| 141 | A | 97.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L119 G137 E138 Q139 H144 R145 I146 F148 | L119-A141 HydrophobicContact CD2-CB 4.25Å; G137-A141 VanDerWaalsContact O-CB 3.25Å; G137-A141 WeakPolarHBondContact O-CB 3.39Å; G137-A141 PolarHBondContact O-N 3.2Å; G137-A141 VanDerWaalsContact O-N 3.13Å; E138-A141 PolarHBondContact O-N 2.89Å; Q139-A141 VanDerWaalsContact C-N 3.28Å; Q139-A141 PolarHBondContact O-N 2.9Å; A141-H144 CarbonylContact O-C 3.58Å; A141-H144 PolarHBondContact O-N 2.88Å; A141-R145 WeakPolarHBondContact O-CA 3.3Å; A141-R145 PolarHBondContact O-N 3.48Å; A141-I146 HydrophobicContact CB-CG1 4.04Å; A141-I146 PolarHBondContact O-N 3.45Å; A141-F148 HydrophobicContact CB-CB 3.5Å; A141-F148 VanDerWaalsContact CB-CB 3.5Å; A141-F148 HydrophobicContact CB-CG 4.25Å |
| 142 | L | 97.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 63.7 Ų | 63.7 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.8 | -48.4 | 174.5 | 179.9 | 63.5 | 0 | 0 | 0 | 111.4 | E138 Q139 H144 R145 | E138-L142 WeakPolarHBondContact O-CB 3.33Å; E138-L142 PolarHBondContact O-N 2.95Å; Q139-L142 PolarHBondContact O-N 3.49Å; L142-H144 VanDerWaalsContact C-N 3.26Å; L142-H144 PolarHBondContact O-N 2.85Å; L142-R145 PolarHBondContact O-N 2.96Å; L142-R145 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 96.5 | Very high | 97.6 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.3 | -40.4 | 178.2 | -75.7 | 170.5 | -171.1 | 0 | 0 | 112.3 | Q139 | Q139-E143 WeakPolarHBondContact CG-OE1 3.48Å; Q139-E143 PolarHBondContact NE2-OE1 3.48Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 3.33Å |
| 144 | H | 94.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.7 | -179.9 | -69.5 | -73.5 | 0 | 0 | 0 | 114.4 | L104 I140 A141 L142 I146 | L104-H144 HydrophobicContact CD1-CB 4.14Å; L104-H144 WeakPolarHBondContact CD1-CD2 3.44Å; I140-H144 WeakPolarHBondContact O-CB 3.28Å; I140-H144 PolarHBondContact O-CD2 3.38Å; I140-H144 PolarHBondContact O-N 3.24Å; I140-H144 VanDerWaalsContact O-N 3.09Å; A141-H144 CarbonylContact O-C 3.58Å; A141-H144 PolarHBondContact O-N 2.88Å; L142-H144 VanDerWaalsContact C-N 3.26Å; L142-H144 PolarHBondContact O-N 2.85Å; H144-I146 VanDerWaalsContact C-N 3.27Å; H144-I146 HydrophobicContact CB-CD1 4.34Å; H144-I146 HydrophobicContact CB-CG1 4.32Å; H144-I146 HydrophobicContact CB-CG2 4.39Å; H144-I146 WeakPolarHBondContact O-CG2 3.44Å; H144-I146 PolarHBondContact O-N 3.49Å |
| 145 | R | 94.8 | Very high | 97.5 | Very high | 239 Ų | 239 | 66.8 Ų | 66.8 | 90% | 0.902 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 42.1 | -178.4 | -54.2 | 179.6 | -176.4 | 178.7 | 0.5 | 113.3 | A141 L142 | A141-R145 WeakPolarHBondContact O-CA 3.3Å; A141-R145 PolarHBondContact O-N 3.48Å; L142-R145 PolarHBondContact O-N 2.96Å; L142-R145 VanDerWaalsContact O-N 3.1Å |
| 146 | I | 96.2 | Very high | 97.5 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -113.5 | 153.3 | 177.5 | 63.8 | -179.2 | 0 | 0 | 0 | 110.1 | L104 R117 L119 A141 H144 | L104-I146 HydrophobicContact CD2-CD1 3.82Å; R117-I146 HydrophobicContact CB-CB 4.06Å; R117-I146 HydrophobicContact CB-CG2 3.5Å; R117-I146 HydrophobicContact CG-CG2 4.36Å; L119-I146 HydrophobicContact CB-CD1 3.87Å; L119-I146 HydrophobicContact CB-CG1 4.35Å; A141-I146 HydrophobicContact CB-CG1 4.04Å; A141-I146 PolarHBondContact O-N 3.45Å; H144-I146 VanDerWaalsContact C-N 3.27Å; H144-I146 HydrophobicContact CB-CD1 4.34Å; H144-I146 HydrophobicContact CB-CG1 4.32Å; H144-I146 HydrophobicContact CB-CG2 4.39Å; H144-I146 WeakPolarHBondContact O-CG2 3.44Å; H144-I146 PolarHBondContact O-N 3.49Å | ||
| 147 | R | 97.3 | Very high | 97.5 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 149 | 177.9 | -64.6 | 175.2 | -175.1 | -92.8 | -2.8 | 110 | R117 M118 L119 | R117-R147 PolarHBondContact O-N 2.69Å; M118-R147 CarbonylContact C-O 3.57Å; M118-R147 WeakPolarHBondContact CA-O 3.32Å; M118-R147 HydrophobicContact CB-CB 4.38Å; M118-R147 HydrophobicContact CE-CB 3.93Å; M118-R147 HydrophobicContact CG-CB 4.18Å; L119-R147 PolarHBondContact N-O 3.48Å |
| 148 | F | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 65.1 Ų | 65.1 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.6 | 176.8 | 173.8 | -106 | 0 | 0 | 0 | 112.2 | Y89 L119 K134 E138 A141 E150 | Y89-F148 HydrophobicContact CE1-CE2 4.05Å; L119-F148 HydrophobicContact CB-CD2 4.14Å; L119-F148 HydrophobicContact CD2-CD2 3.93Å; L119-F148 HydrophobicContact CD2-CE2 4.42Å; L119-F148 HydrophobicContact CG-CD2 3.88Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 WeakPolarHBondContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CD2 3.2Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.34Å; E138-F148 HydrophobicContact CB-CD1 4.38Å; E138-F148 HydrophobicContact CG-CD1 3.49Å; E138-F148 VanDerWaalsContact CG-CD1 3.49Å; E138-F148 HydrophobicContact CG-CE1 3.56Å; A141-F148 HydrophobicContact CB-CB 3.5Å; A141-F148 VanDerWaalsContact CB-CB 3.5Å; A141-F148 HydrophobicContact CB-CG 4.25Å; F148-E150 HydrophobicContact CE1-CG 4.1Å; F148-E150 HydrophobicContact CE2-CG 4.49Å; F148-E150 HydrophobicContact CZ-CG 3.62Å |
| 149 | L | 98.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.5 | 167.3 | -65.9 | 172 | 0 | 0 | 0 | 109.2 | M118 L119 L120 G121 K161 A162 | M118-L149 HydrophobicContact SD-CD1 4.44Å; L119-L149 PolarHBondContact O-N 3.04Å; L119-L149 VanDerWaalsContact O-N 3.17Å; L120-L149 VanDerWaalsContact CA-O 3.29Å; L120-L149 WeakPolarHBondContact CA-O 3.48Å; L120-L149 HydrophobicContact CD2-CB 3.87Å; G121-L149 PolarHBondContact N-O 3.01Å; L149-K161 HydrophobicContact CD1-CD 4.38Å; L149-K161 HydrophobicContact CD1-CG 4Å; L149-A162 HydrophobicContact CD1-CB 4.05Å |
| 150 | E | 98.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.6 | 159.4 | -67.1 | -161.7 | 153.5 | 0 | 0 | 110 | G121 C124 R130 K134 F148 N158 | G121-E150 CarbonylContact O-C 3.52Å; G121-E150 VanDerWaalsContact O-CA 3.23Å; G121-E150 WeakPolarHBondContact O-CA 3.47Å; C124-E150 HydrophobicContact CB-CB 4.03Å; R130-E150 IonicContact CZ-OE1 2.98Å; R130-E150 IonicContact CZ-OE2 2.88Å; R130-E150 IonicContact NH1-OE1 3.29Å; R130-E150 PolarHBondContact NH1-OE1 2.77Å; R130-E150 IonicContact NH1-OE2 3.83Å; R130-E150 IonicContact NH2-OE1 3.83Å; R130-E150 PolarHBondContact NH2-OE1 3.02Å; R130-E150 IonicContact NH2-OE2 2.8Å; R130-E150 PolarHBondContact NH2-OE2 2.83Å; K134-E150 WeakPolarHBondContact CA-OE1 3.34Å; K134-E150 HydrophobicContact CD-CG 4.47Å; K134-E150 HydrophobicContact CG-CG 4.1Å; F148-E150 HydrophobicContact CE1-CG 4.1Å; F148-E150 HydrophobicContact CE2-CG 4.49Å; F148-E150 HydrophobicContact CZ-CG 3.62Å; E150-N158 VanDerWaalsContact O-CB 3.31Å; E150-N158 WeakPolarHBondContact O-CB 3.28Å; E150-N158 PolarHBondContact O-ND2 3.1Å |
| 151 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.3 | -177.3 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | L120 G121 N122 K123 C124 T157 N158 I159 | L120-T151 HydrophobicContact CB-CG2 4.49Å; L120-T151 HydrophobicContact CD1-CG2 4.09Å; L120-T151 HydrophobicContact CD2-CG2 3.87Å; L120-T151 HydrophobicContact CG-CG2 4.38Å; G121-T151 PolarHBondContact O-N 2.81Å; N122-T151 CarbonylContact C-O 3.38Å; N122-T151 VanDerWaalsContact CA-O 3.28Å; N122-T151 WeakPolarHBondContact CA-O 3.44Å; N122-T151 PolarHBondContact OD1-O 3.27Å; N122-T151 PolarHBondContact OD1-OG1 3.4Å; K123-T151 PolarHBondContact N-O 3.14Å; C124-T151 PolarHBondContact N-O 3.18Å; C124-T151 VanDerWaalsContact N-O 3.13Å; C124-T151 PolarHBondContact SG-O 3.42Å; C124-T151 VanDerWaalsContact SG-O 3.4Å; T151-T157 VanDerWaalsContact CA-O 3.28Å; T151-T157 WeakPolarHBondContact CA-O 3.45Å; T151-N158 HydrophobicContact CG2-CB 3.96Å; T151-I159 HydrophobicContact CG2-CD1 4.33Å |
| 152 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -127.8 | 114.3 | 162.4 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | D125 K154 D155 K156 T157 I159 | D125-S152 VanDerWaalsContact CG-OG 3.23Å; D125-S152 VanDerWaalsContact OD1-CB 3.3Å; D125-S152 WeakPolarHBondContact OD1-CB 3.22Å; D125-S152 PolarHBondContact OD1-OG 3.28Å; S152-K154 PolarHBondContact O-N 2.99Å; S152-K154 PolarHBondContact OG-N 2.86Å; S152-D155 PolarHBondContact OG-N 3.16Å; S152-K156 CarbonylContact O-C 3.43Å; S152-K156 VanDerWaalsContact O-CA 3.22Å; S152-K156 WeakPolarHBondContact O-CA 3.47Å; S152-K156 PolarHBondContact O-N 3.4Å; S152-T157 PolarHBondContact N-O 2.94Å; S152-T157 PolarHBondContact O-N 3.4Å; S152-T157 VanDerWaalsContact O-N 3.17Å; S152-I159 WeakPolarHBondContact O-CG1 3.38Å | ||
| 153 | A | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | C24 I25 R28 F34 N122 I159 | C24-A153 HydrophobicContact CB-CB 3.62Å; I25-A153 HydrophobicContact CG1-CB 4.05Å; R28-A153 HydrophobicContact CB-CB 4.47Å; R28-A153 WeakPolarHBondContact CG-O 3.39Å; R28-A153 PolarHBondContact NE-O 2.9Å; F34-A153 HydrophobicContact CD2-CB 4.06Å; F34-A153 WeakPolarHBondContact CD2-O 3.37Å; F34-A153 HydrophobicContact CE2-CB 4.09Å; N122-A153 PolarHBondContact OD1-N 3.01Å; A153-I159 HydrophobicContact CB-CD1 4.44Å |
| 154 | K | 97.5 | Very high | 97.8 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -54.9 | 179 | -175 | -166.4 | 176.8 | -164.1 | 0 | 110.4 | R28 F34 D125 S152 | R28-K154 PolarHBondContact NH2-O 2.77Å; F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.18Å; F34-K154 HydrophobicContact CD2-CB 4.37Å; F34-K154 HydrophobicContact CE1-CB 3.96Å; F34-K154 HydrophobicContact CE1-CG 3.79Å; F34-K154 HydrophobicContact CE2-CB 3.96Å; F34-K154 HydrophobicContact CZ-CB 3.74Å; F34-K154 HydrophobicContact CZ-CG 4.06Å; D125-K154 WeakPolarHBondContact OD2-CD 3.44Å; D125-K154 IonicContact OD2-NZ 3.47Å; S152-K154 PolarHBondContact O-N 2.99Å; S152-K154 PolarHBondContact OG-N 2.86Å |
| 155 | D | 97.1 | Very high | 98 | Very high | 92 Ų | 92 | 53 Ų | 53 | 49% | 0.492 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.8 | -172.9 | -63.2 | -5.6 | 0 | 0 | 0 | 113 | D125 S152 T157 | D125-D155 WeakPolarHBondContact CB-OD2 3.47Å; S152-D155 PolarHBondContact OG-N 3.16Å; D155-T157 PolarHBondContact O-N 3.13Å |
| 156 | K | 97.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | trans | 64.5 | 11.1 | -176.2 | -162.1 | 172.6 | -172.9 | 173.4 | 0 | 114.4 | R28 D32 S152 N158 I159 D160 | R28-K156 HydrophobicContact CG-CB 4.3Å; R28-K156 HydrophobicContact CG-CG 4.07Å; D32-K156 WeakPolarHBondContact OD1-CD 3.38Å; D32-K156 WeakPolarHBondContact OD1-CE 3.39Å; D32-K156 IonicContact OD1-NZ 3.58Å; D32-K156 PolarHBondContact OD1-NZ 3.04Å; D32-K156 IonicContact OD2-NZ 2.57Å; D32-K156 PolarHBondContact OD2-NZ 2.89Å; S152-K156 CarbonylContact O-C 3.43Å; S152-K156 VanDerWaalsContact O-CA 3.22Å; S152-K156 WeakPolarHBondContact O-CA 3.47Å; S152-K156 PolarHBondContact O-N 3.4Å; K156-N158 PolarHBondContact O-N 2.88Å; K156-I159 HydrophobicContact CG-CB 4.44Å; K156-I159 PolarHBondContact O-N 3.17Å; K156-D160 WeakPolarHBondContact CE-OD2 3.48Å | ||
| 157 | T | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 122.1 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | T151 S152 D155 I159 | T151-T157 VanDerWaalsContact CA-O 3.28Å; T151-T157 WeakPolarHBondContact CA-O 3.45Å; S152-T157 PolarHBondContact N-O 2.94Å; S152-T157 PolarHBondContact O-N 3.4Å; S152-T157 VanDerWaalsContact O-N 3.17Å; D155-T157 PolarHBondContact O-N 3.13Å; T157-I159 PolarHBondContact O-N 3.21Å |
| 158 | N | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 33% | 0.326 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 11.6 | 178 | -66.7 | -34.8 | 0 | 0 | 0 | 116.5 | E150 T151 K156 A162 | E150-N158 VanDerWaalsContact O-CB 3.31Å; E150-N158 WeakPolarHBondContact O-CB 3.28Å; E150-N158 PolarHBondContact O-ND2 3.1Å; T151-N158 HydrophobicContact CG2-CB 3.96Å; K156-N158 PolarHBondContact O-N 2.88Å; N158-A162 WeakPolarHBondContact O-CB 3.44Å; N158-A162 PolarHBondContact O-N 2.98Å |
| 159 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -56.4 | -177.3 | -62 | -66.3 | 0 | 0 | 0 | 110.8 | I25 R28 F29 T151 S152 A153 K156 T157 K161 A162 F163 | I25-I159 HydrophobicContact CB-CD1 4.43Å; I25-I159 HydrophobicContact CG1-CD1 3.99Å; I25-I159 HydrophobicContact CG2-CD1 4.19Å; R28-I159 HydrophobicContact CB-CG2 4.36Å; R28-I159 HydrophobicContact CG-CB 4.23Å; R28-I159 HydrophobicContact CG-CG1 3.9Å; R28-I159 HydrophobicContact CG-CG2 3.96Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; F29-I159 HydrophobicContact CD2-CG2 4.45Å; T151-I159 HydrophobicContact CG2-CD1 4.33Å; S152-I159 WeakPolarHBondContact O-CG1 3.38Å; A153-I159 HydrophobicContact CB-CD1 4.44Å; K156-I159 HydrophobicContact CG-CB 4.44Å; K156-I159 PolarHBondContact O-N 3.17Å; T157-I159 PolarHBondContact O-N 3.21Å; I159-K161 VanDerWaalsContact C-N 3.3Å; I159-K161 PolarHBondContact O-N 3.21Å; I159-A162 PolarHBondContact O-N 2.7Å; I159-F163 HydrophobicContact CG2-CD2 4.49Å; I159-F163 HydrophobicContact CG2-CE2 4.41Å; I159-F163 WeakPolarHBondContact O-CD2 3.39Å; I159-F163 PolarHBondContact O-N 2.93Å |
| 160 | D | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 35.9 Ų | 35.9 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.5 | -68.9 | -48.3 | 0 | 0 | 0 | 110.6 | F29 K156 A162 F163 Y164 | F29-D160 VanDerWaalsContact CD2-OD1 3.3Å; F29-D160 WeakPolarHBondContact CD2-OD1 3.4Å; F29-D160 WeakPolarHBondContact CE2-OD1 3.46Å; K156-D160 WeakPolarHBondContact CE-OD2 3.48Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 2.85Å; D160-F163 PolarHBondContact O-N 2.77Å; D160-Y164 HydrophobicContact CB-CD2 4.41Å; D160-Y164 VanDerWaalsContact O-CD2 3.27Å; D160-Y164 WeakPolarHBondContact O-CD2 3.49Å; D160-Y164 PolarHBondContact O-N 2.78Å |
| 161 | K | 98.6 | Very high | 98 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.6 | -46.4 | 178.5 | -177.2 | 168.8 | 175.4 | 45.7 | 0 | 112.5 | L149 I159 F163 Y164 D165 | L149-K161 HydrophobicContact CD1-CD 4.38Å; L149-K161 HydrophobicContact CD1-CG 4Å; I159-K161 VanDerWaalsContact C-N 3.3Å; I159-K161 PolarHBondContact O-N 3.21Å; K161-F163 PolarHBondContact O-N 3.47Å; K161-Y164 PolarHBondContact O-N 2.91Å; K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact CG-OD2 3.47Å; K161-D165 VanDerWaalsContact NZ-CG 3.29Å; K161-D165 IonicContact NZ-OD1 3.8Å; K161-D165 PolarHBondContact NZ-OD1 3.29Å; K161-D165 IonicContact NZ-OD2 2.66Å; K161-D165 PolarHBondContact NZ-OD2 2.89Å; K161-D165 WeakPolarHBondContact O-CB 3.24Å; K161-D165 PolarHBondContact O-N 2.88Å |
| 162 | A | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M118 L120 L149 N158 I159 D160 L166 | M118-A162 WeakPolarHBondContact CE-O 3.29Å; M118-A162 HydrophobicContact SD-CB 3.75Å; L120-A162 HydrophobicContact CD1-CB 4.13Å; L120-A162 HydrophobicContact CD2-CB 3.88Å; L149-A162 HydrophobicContact CD1-CB 4.05Å; N158-A162 WeakPolarHBondContact O-CB 3.44Å; N158-A162 PolarHBondContact O-N 2.98Å; I159-A162 PolarHBondContact O-N 2.7Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 2.85Å; A162-L166 WeakPolarHBondContact O-CB 3.44Å; A162-L166 PolarHBondContact O-N 2.66Å; A162-L166 VanDerWaalsContact O-N 3.13Å |
| 163 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.2 | -39 | -179.6 | -75.7 | -83.8 | 0 | 0 | 0 | 112.8 | L12 L14 I25 F29 I62 I86 I159 D160 K161 A167 | L12-F163 HydrophobicContact CD1-CD1 3.9Å; L12-F163 HydrophobicContact CD1-CE1 4.33Å; L14-F163 HydrophobicContact CD2-CE1 4.35Å; L14-F163 HydrophobicContact CD2-CZ 4.19Å; I25-F163 HydrophobicContact CG2-CE2 3.66Å; I25-F163 HydrophobicContact CG2-CZ 3.95Å; F29-F163 HydrophobicContact CB-CD2 3.73Å; F29-F163 HydrophobicContact CB-CE2 3.51Å; F29-F163 HydrophobicContact CB-CZ 4.19Å; F29-F163 HydrophobicContact CD1-CB 4.29Å; F29-F163 AromaticContact CD1-CD1 3.86Å; F29-F163 HydrophobicContact CD1-CD1 3.86Å; F29-F163 AromaticContact CD1-CD2 3.7Å; F29-F163 HydrophobicContact CD1-CD2 3.7Å; F29-F163 HydrophobicContact CD1-CE1 4.07Å; F29-F163 AromaticContact CD1-CE2 3.93Å; F29-F163 HydrophobicContact CD1-CE2 3.93Å; F29-F163 AromaticContact CD1-CG 3.68Å; F29-F163 HydrophobicContact CD1-CG 3.68Å; F29-F163 HydrophobicContact CD1-CZ 4.1Å; F29-F163 HydrophobicContact CD2-CB 4.03Å; F29-F163 AromaticContact CD2-CD2 3.58Å; F29-F163 HydrophobicContact CD2-CD2 3.58Å; F29-F163 HydrophobicContact CD2-CE2 4.28Å; F29-F163 AromaticContact CD2-CG 3.94Å; F29-F163 HydrophobicContact CD2-CG 3.94Å; F29-F163 HydrophobicContact CE1-CB 3.89Å; F29-F163 AromaticContact CE1-CD1 3.87Å; F29-F163 HydrophobicContact CE1-CD1 3.87Å; F29-F163 HydrophobicContact CE1-CD2 4.18Å; F29-F163 HydrophobicContact CE1-CE1 4.46Å; F29-F163 AromaticContact CE1-CG 3.71Å; F29-F163 HydrophobicContact CE1-CG 3.71Å; F29-F163 HydrophobicContact CE2-CB 3.61Å; F29-F163 HydrophobicContact CE2-CD2 4.08Å; F29-F163 AromaticContact CE2-CG 3.98Å; F29-F163 HydrophobicContact CE2-CG 3.98Å; F29-F163 HydrophobicContact CG-CB 4.35Å; F29-F163 HydrophobicContact CG-CD1 4.39Å; F29-F163 AromaticContact CG-CD2 3.36Å; F29-F163 HydrophobicContact CG-CD2 3.36Å; F29-F163 AromaticContact CG-CE2 3.64Å; F29-F163 HydrophobicContact CG-CE2 3.64Å; F29-F163 AromaticContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CZ 4.26Å; F29-F163 HydrophobicContact CZ-CB 3.52Å; F29-F163 HydrophobicContact CZ-CD1 4.4Å; F29-F163 HydrophobicContact CZ-CD2 4.35Å; F29-F163 AromaticContact CZ-CG 3.86Å; F29-F163 HydrophobicContact CZ-CG 3.86Å; I62-F163 HydrophobicContact CD1-CD1 4.06Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CG1-CE1 4.4Å; I62-F163 HydrophobicContact CG2-CE1 4.11Å; I86-F163 HydrophobicContact CD1-CD1 3.97Å; I86-F163 HydrophobicContact CD1-CE1 3.66Å; I86-F163 HydrophobicContact CD1-CZ 3.99Å; I159-F163 HydrophobicContact CG2-CD2 4.49Å; I159-F163 HydrophobicContact CG2-CE2 4.41Å; I159-F163 WeakPolarHBondContact O-CD2 3.39Å; I159-F163 PolarHBondContact O-N 2.93Å; D160-F163 PolarHBondContact O-N 2.77Å; K161-F163 PolarHBondContact O-N 3.47Å; F163-A167 VanDerWaalsContact O-CB 3.26Å; F163-A167 WeakPolarHBondContact O-CB 3.46Å; F163-A167 PolarHBondContact O-N 3.42Å |
| 164 | Y | 98.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70 | -43.1 | 177.9 | -84.3 | -97.3 | 0 | 0 | 0 | 112.1 | F29 I51 L53 D160 K161 L166 A167 E168 | F29-Y164 HydrophobicContact CE2-CD2 4.42Å; F29-Y164 HydrophobicContact CE2-CE2 4.21Å; I51-Y164 HydrophobicContact CB-CE1 4.11Å; I51-Y164 HydrophobicContact CD1-CD1 4.17Å; I51-Y164 HydrophobicContact CD1-CE1 4.09Å; I51-Y164 HydrophobicContact CG2-CE2 4.16Å; L53-Y164 HydrophobicContact CD1-CD1 4.43Å; D160-Y164 HydrophobicContact CB-CD2 4.41Å; D160-Y164 VanDerWaalsContact O-CD2 3.27Å; D160-Y164 WeakPolarHBondContact O-CD2 3.49Å; D160-Y164 PolarHBondContact O-N 2.78Å; K161-Y164 PolarHBondContact O-N 2.91Å; Y164-L166 VanDerWaalsContact C-N 3.31Å; Y164-L166 PolarHBondContact O-N 3.24Å; Y164-A167 PolarHBondContact O-N 3.23Å; Y164-E168 WeakPolarHBondContact O-CB 3.37Å; Y164-E168 PolarHBondContact O-N 2.84Å |
| 165 | D | 98.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.6 | -74.6 | 3.2 | 0 | 0 | 0 | 111 | M118 K161 A169 | M118-D165 HydrophobicContact CE-CB 3.87Å; K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact CG-OD2 3.47Å; K161-D165 VanDerWaalsContact NZ-CG 3.29Å; K161-D165 IonicContact NZ-OD1 3.8Å; K161-D165 PolarHBondContact NZ-OD1 3.29Å; K161-D165 IonicContact NZ-OD2 2.66Å; K161-D165 PolarHBondContact NZ-OD2 2.89Å; K161-D165 WeakPolarHBondContact O-CB 3.24Å; K161-D165 PolarHBondContact O-N 2.88Å; D165-A169 PolarHBondContact O-N 2.94Å |
| 166 | L | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -44.8 | 176.2 | -176.5 | 62.5 | 0 | 0 | 0 | 111.8 | L12 I86 E116 M118 A162 Y164 E168 A169 I170 | L12-L166 HydrophobicContact CD1-CD2 4.44Å; L12-L166 HydrophobicContact CD2-CD2 3.97Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; I86-L166 HydrophobicContact CD1-CD2 3.84Å; I86-L166 HydrophobicContact CG1-CD2 3.43Å; I86-L166 VanDerWaalsContact CG1-CD2 3.43Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; M118-L166 HydrophobicContact CE-CB 4.12Å; A162-L166 WeakPolarHBondContact O-CB 3.44Å; A162-L166 PolarHBondContact O-N 2.66Å; A162-L166 VanDerWaalsContact O-N 3.13Å; Y164-L166 VanDerWaalsContact C-N 3.31Å; Y164-L166 PolarHBondContact O-N 3.24Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 2.66Å; L166-A169 PolarHBondContact O-N 2.82Å; L166-I170 HydrophobicContact CG-CD1 4.21Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 2.89Å |
| 167 | A | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F10 I51 L53 L60 F163 Y164 I170 Y171 | F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 HydrophobicContact CE2-CB 4.44Å; F10-A167 WeakPolarHBondContact CE2-O 3.45Å; I51-A167 HydrophobicContact CD1-CB 3.78Å; L53-A167 HydrophobicContact CD2-CB 4.19Å; L60-A167 HydrophobicContact CD2-CB 4.35Å; F163-A167 VanDerWaalsContact O-CB 3.26Å; F163-A167 WeakPolarHBondContact O-CB 3.46Å; F163-A167 PolarHBondContact O-N 3.42Å; Y164-A167 PolarHBondContact O-N 3.23Å; A167-I170 PolarHBondContact O-N 3.32Å; A167-Y171 VanDerWaalsContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CB 3.45Å; A167-Y171 PolarHBondContact O-N 2.89Å |
| 168 | E | 97.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.9 | -177.1 | 170 | -152.1 | 0 | 0 | 112.7 | L53 K54 Y164 L166 I170 Y171 N172 | L53-E168 HydrophobicContact CD1-CB 4.46Å; L53-E168 HydrophobicContact CD2-CB 4.02Å; K54-E168 WeakPolarHBondContact CE-OE1 3.44Å; K54-E168 IonicContact NZ-OE1 2.78Å; K54-E168 PolarHBondContact NZ-OE1 3.26Å; Y164-E168 WeakPolarHBondContact O-CB 3.37Å; Y164-E168 PolarHBondContact O-N 2.84Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 2.66Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 3.04Å; E168-Y171 PolarHBondContact O-N 3.22Å; E168-N172 PolarHBondContact O-N 2.92Å; E168-N172 PolarHBondContact O-ND2 3.44Å |
| 169 | A | 96.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E116 D165 L166 N172 K173 | E116-A169 HydrophobicContact CG-CB 3.85Å; D165-A169 PolarHBondContact O-N 2.94Å; L166-A169 PolarHBondContact O-N 2.82Å; A169-N172 PolarHBondContact O-N 2.8Å; A169-K173 PolarHBondContact O-N 2.57Å; A169-K173 VanDerWaalsContact O-N 3.14Å |
| 170 | I | 96.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.8 | -63.6 | 165.9 | 0 | 0 | 0 | 110.7 | F10 L12 M83 E116 L166 A167 E168 N172 K173 V174 | F10-I170 HydrophobicContact CD1-CG2 3.92Å; F10-I170 HydrophobicContact CD2-CB 4.11Å; F10-I170 HydrophobicContact CD2-CD1 4.32Å; F10-I170 HydrophobicContact CD2-CG2 3.84Å; F10-I170 HydrophobicContact CE1-CG2 3.86Å; F10-I170 HydrophobicContact CE2-CB 3.95Å; F10-I170 HydrophobicContact CE2-CG2 3.75Å; F10-I170 HydrophobicContact CG-CG2 3.94Å; F10-I170 HydrophobicContact CZ-CB 4.36Å; F10-I170 HydrophobicContact CZ-CG2 3.78Å; L12-I170 HydrophobicContact CD2-CD1 3.47Å; L12-I170 VanDerWaalsContact CD2-CD1 3.47Å; M83-I170 HydrophobicContact CB-CD1 4.07Å; M83-I170 HydrophobicContact CB-CG1 4.43Å; M83-I170 HydrophobicContact CB-CG2 3.97Å; M83-I170 HydrophobicContact CE-CG2 3.61Å; E116-I170 HydrophobicContact CB-CG1 3.84Å; E116-I170 HydrophobicContact CG-CG1 3.77Å; L166-I170 HydrophobicContact CG-CD1 4.21Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 2.89Å; A167-I170 PolarHBondContact O-N 3.32Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 3.04Å; I170-N172 VanDerWaalsContact C-N 3.33Å; I170-N172 PolarHBondContact O-N 3.24Å; I170-K173 PolarHBondContact O-N 3.01Å; I170-V174 HydrophobicContact CG2-CG2 4.35Å; I170-V174 WeakPolarHBondContact O-CG2 3.3Å; I170-V174 PolarHBondContact O-N 3.22Å |
| 171 | Y | 95.9 | Very high | 90 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 179.2 | 179.1 | -86.4 | 0 | 0 | 0 | 111.4 | L8 F10 K54 K56 I58 A167 E168 K173 V174 W175 | L8-Y171 HydrophobicContact CD1-CD2 3.63Å; L8-Y171 HydrophobicContact CD1-CE2 3.73Å; F10-Y171 HydrophobicContact CZ-CD2 4.47Å; K54-Y171 HydrophobicContact CB-CE1 4.39Å; K54-Y171 HydrophobicContact CD-CD1 3.79Å; K54-Y171 HydrophobicContact CD-CE1 3.59Å; K56-Y171 HydrophobicContact CG-CE2 4.01Å; I58-Y171 HydrophobicContact CD1-CD2 4.09Å; A167-Y171 VanDerWaalsContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CB 3.45Å; A167-Y171 PolarHBondContact O-N 2.89Å; E168-Y171 PolarHBondContact O-N 3.22Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 3.4Å; Y171-V174 PolarHBondContact O-N 2.87Å; Y171-W175 HydrophobicContact CE1-CB 4.35Å; Y171-W175 HydrophobicContact CE2-CG 4.42Å; Y171-W175 WeakPolarHBondContact O-CB 3.3Å; Y171-W175 PolarHBondContact O-N 3.1Å |
| 172 | N | 94.1 | Very high | 89.5 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | -178.8 | -64.8 | -20.4 | 0 | 0 | 0 | 111.6 | K54 E168 A169 I170 Q176 | K54-N172 PolarHBondContact NZ-OD1 3.09Å; E168-N172 PolarHBondContact O-N 2.92Å; E168-N172 PolarHBondContact O-ND2 3.44Å; A169-N172 PolarHBondContact O-N 2.8Å; I170-N172 VanDerWaalsContact C-N 3.33Å; I170-N172 PolarHBondContact O-N 3.24Å; N172-Q176 VanDerWaalsContact O-CB 3.25Å; N172-Q176 WeakPolarHBondContact O-CB 3.15Å; N172-Q176 PolarHBondContact O-N 3.15Å |
| 173 | K | 89.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.8 | -85.5 | -174.3 | 167.2 | 162.5 | 0 | 113.6 | D114 E116 A169 I170 Y171 | D114-K173 PolarHBondContact O-NZ 2.98Å; E116-K173 HydrophobicContact CG-CD 4.09Å; E116-K173 WeakPolarHBondContact OE1-CD 3.18Å; E116-K173 WeakPolarHBondContact OE1-CE 3.21Å; E116-K173 IonicContact OE1-NZ 2.66Å; E116-K173 PolarHBondContact OE1-NZ 3.31Å; A169-K173 PolarHBondContact O-N 2.57Å; A169-K173 VanDerWaalsContact O-N 3.14Å; I170-K173 PolarHBondContact O-N 3.01Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 3.4Å |
| 174 | V | 82.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -79.8 | -27.6 | -174.4 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | M83 I170 Y171 | M83-V174 HydrophobicContact CE-CG2 3.87Å; I170-V174 HydrophobicContact CG2-CG2 4.35Å; I170-V174 WeakPolarHBondContact O-CG2 3.3Å; I170-V174 PolarHBondContact O-N 3.22Å; Y171-V174 PolarHBondContact O-N 2.87Å |
| 175 | W | 75.2 | Confident | 87.4 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -125.9 | 3.8 | -167.9 | -69.7 | 93.8 | 0 | 0 | 0 | 115.8 | L8 Y171 | L8-W175 HydrophobicContact CD2-CZ2 3.54Å; L8-W175 VanDerWaalsContact CD2-NE1 3.32Å; Y171-W175 HydrophobicContact CE1-CB 4.35Å; Y171-W175 HydrophobicContact CE2-CG 4.42Å; Y171-W175 WeakPolarHBondContact O-CB 3.3Å; Y171-W175 PolarHBondContact O-N 3.1Å |
| 176 | Q | 64.4 | Low | 86.5 | Confident | 139 Ų | 139 | 68 Ų | 68 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | trans | -110 | 12.6 | 168.9 | -61.2 | -168.3 | -26.6 | 0 | 0 | 113.8 | N172 | N172-Q176 VanDerWaalsContact O-CB 3.25Å; N172-Q176 WeakPolarHBondContact O-CB 3.15Å; N172-Q176 PolarHBondContact O-N 3.15Å | ||
| 177 | L | 49 | Very low | 85.4 | Confident | 215 Ų | 215 | 74.2 Ų | 74.2 | 100% | 1.126 | 35% | 0.354 | S | S | * | . | trans | -102 | 0 | 163.2 | -65.6 | 174.8 | 0 | 0 | 0 | 109.2 |
Retrieved 177 of 177 residues in 123.3 ms
(Link to these results)