| 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 | 43.2 | Very low | 77 | Confident | 242 Ų | 242 | 103 Ų | 103 | 100% | 1.192 | 53% | 0.531 | S | S | * | . | 0 | 127.3 | 0 | -63.4 | 179.2 | -159.8 | 0 | 0 | 107.8 | K3 | M1-K3 PolarHBondContact O-N 2.92Š| |||
| 2 | A | 49.8 | Very low | 78.7 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 87% | 0.868 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 125.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K4 | A2-K4 PolarHBondContact O-N 3.25Š|
| 3 | K | 53.8 | Low | 80 | Confident | 196 Ų | 196 | 87.2 Ų | 87.2 | 85% | 0.852 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 121.8 | 180 | -156.7 | 175.3 | -174.4 | 179.3 | 0 | 108.1 | M1 T5 | M1-K3 PolarHBondContact O-N 2.92Å; K3-T5 PolarHBondContact O-N 3.03Å; K3-T5 VanDerWaalsContact O-N 3.11Å |
| 4 | K | 61.4 | Low | 81 | Confident | 174 Ų | 174 | 81.1 Ų | 81.1 | 76% | 0.757 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 121 | 173.4 | -86.5 | -177.6 | 173.9 | 178.6 | 0 | 108 | A2 Y6 | A2-K4 PolarHBondContact O-N 3.25Å; K4-Y6 PolarHBondContact O-N 3Å |
| 5 | T | 81.4 | Confident | 81.9 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -85.1 | 2.2 | -177.5 | 52 | 0 | 0 | 0 | 0 | 113.1 | K3 | K3-T5 PolarHBondContact O-N 3.03Å; K3-T5 VanDerWaalsContact O-N 3.11Å |
| 6 | Y | 86 | Confident | 82.6 | Confident | 65 Ų | 65 | 71 Ų | 71 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | trans | -150.5 | 151.6 | -177.9 | 64.3 | -85.2 | 0 | 0 | 0 | 109.9 | K4 L8 L9 K59 | K4-Y6 PolarHBondContact O-N 3Å; Y6-L8 VanDerWaalsContact CD2-O 3.3Å; Y6-L8 WeakPolarHBondContact CD2-O 3.34Å; Y6-L9 HydrophobicContact CE2-CB 3.94Å; Y6-L9 HydrophobicContact CE2-CD1 4.39Å; Y6-K59 HydrophobicContact CD1-CD 4.2Å; Y6-K59 VanDerWaalsContact CD1-CE 3.47Å; Y6-K59 HydrophobicContact CD2-CB 4.05Å; Y6-K59 HydrophobicContact CE1-CD 4.24Å; Y6-K59 HydrophobicContact CG-CB 3.98Å; Y6-K59 HydrophobicContact CG-CD 4.47Å | ||
| 7 | D | 90.3 | Very high | 83.1 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -89.2 | -40.4 | -178.4 | -56.1 | -59.3 | 0 | 0 | 0 | 111.4 | K56 K57 | D7-K56 HydrophobicContact CB-CB 4.29Å; D7-K56 WeakPolarHBondContact OD2-CA 3.33Å; D7-K57 PolarHBondContact N-O 3.01Å; D7-K57 PolarHBondContact OD2-N 3.48Å |
| 8 | L | 94.2 | Very high | 83.4 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 20% | 0.204 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 151.6 | -175.4 | -62.7 | 172 | 0 | 0 | 0 | 111.6 | Y6 F10 K56 K57 I58 K59 L171 | Y6-L8 VanDerWaalsContact CD2-O 3.3Å; Y6-L8 WeakPolarHBondContact CD2-O 3.34Å; L8-F10 HydrophobicContact CB-CE1 3.98Å; L8-F10 HydrophobicContact CB-CZ 4.34Å; L8-F10 HydrophobicContact CD1-CE1 4.19Å; L8-F10 HydrophobicContact CD1-CZ 4Å; L8-K56 HydrophobicContact CD1-CD 3.92Å; L8-K57 PolarHBondContact N-O 3.28Å; L8-I58 HydrophobicContact CB-CG1 4.32Å; L8-I58 HydrophobicContact CB-CG2 4.32Å; L8-I58 HydrophobicContact CD1-CD1 4.4Å; L8-I58 WeakPolarHBondContact O-CA 3.39Å; L8-K59 PolarHBondContact O-N 2.94Å; L8-L171 HydrophobicContact CD1-CD1 3.31Å |
| 9 | L | 94.7 | Very high | 83.8 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.6 | 176.6 | -176.2 | 76 | 0 | 0 | 0 | 108.5 | Y6 K59 Q61 | Y6-L9 HydrophobicContact CE2-CB 3.94Å; Y6-L9 HydrophobicContact CE2-CD1 4.39Å; L9-K59 CarbonylContact C-O 3.34Å; L9-K59 WeakPolarHBondContact CA-O 3.48Å; L9-K59 HydrophobicContact CD1-CB 3.8Å; L9-K59 HydrophobicContact CD1-CD 3.72Å; L9-K59 HydrophobicContact CD1-CG 3.72Å; L9-Q61 HydrophobicContact CD1-CG 3.74Å; L9-Q61 HydrophobicContact CG-CG 4.4Å |
| 10 | F | 96.6 | Very high | 84.3 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.4 | 176.5 | -62.2 | -18 | 0 | 0 | 0 | 110.9 | L8 I58 K59 L60 Q61 M83 A167 I170 L171 | L8-F10 HydrophobicContact CB-CE1 3.98Å; L8-F10 HydrophobicContact CB-CZ 4.34Å; L8-F10 HydrophobicContact CD1-CE1 4.19Å; L8-F10 HydrophobicContact CD1-CZ 4Å; F10-I58 HydrophobicContact CB-CG2 4.42Å; F10-I58 HydrophobicContact CD1-CG2 4.31Å; F10-I58 HydrophobicContact CD2-CD1 4.47Å; F10-I58 HydrophobicContact CD2-CG2 3.41Å; F10-I58 VanDerWaalsContact CD2-CG2 3.41Å; F10-I58 HydrophobicContact CE1-CG2 4.46Å; F10-I58 HydrophobicContact CE2-CD1 3.67Å; F10-I58 HydrophobicContact CE2-CG2 3.6Å; F10-I58 HydrophobicContact CG-CG2 3.79Å; F10-I58 HydrophobicContact CZ-CD1 4.01Å; F10-I58 HydrophobicContact CZ-CG2 4.13Å; F10-K59 PolarHBondContact N-O 3.28Å; F10-L60 HydrophobicContact CB-CD2 3.9Å; F10-L60 HydrophobicContact CD2-CD2 4Å; F10-L60 HydrophobicContact CG-CD2 4.39Å; F10-Q61 PolarHBondContact O-N 3.23Å; F10-M83 HydrophobicContact CB-SD 4.27Å; F10-M83 HydrophobicContact CD1-CE 3.62Å; F10-M83 HydrophobicContact CD1-SD 3.67Å; F10-M83 HydrophobicContact CE1-CE 3.86Å; F10-M83 HydrophobicContact CE1-SD 4.48Å; F10-M83 HydrophobicContact CG-SD 4.32Å; F10-A167 HydrophobicContact CD2-CB 4.28Å; F10-A167 WeakPolarHBondContact CE2-O 3.26Å; F10-I170 HydrophobicContact CD1-CG2 3.89Å; F10-I170 HydrophobicContact CD2-CB 4.18Å; F10-I170 HydrophobicContact CD2-CD1 4.44Å; F10-I170 HydrophobicContact CD2-CG2 3.89Å; F10-I170 HydrophobicContact CE1-CG2 3.85Å; F10-I170 HydrophobicContact CE2-CB 4.06Å; F10-I170 HydrophobicContact CE2-CG2 3.84Å; F10-I170 HydrophobicContact CG-CG2 3.94Å; F10-I170 HydrophobicContact CZ-CB 4.43Å; F10-I170 HydrophobicContact CZ-CG2 3.83Å; F10-L171 HydrophobicContact CE2-CB 4.17Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.16Å |
| 11 | K | 95.7 | Very high | 84.8 | Confident | 35 Ų | 35 | 59 Ų | 59 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.8 | 173.1 | -179.3 | 176 | 167.1 | -167.7 | 0 | 109.6 | Q61 Y78 R80 M83 G84 | K11-Q61 WeakPolarHBondContact CA-O 3.43Å; K11-Y78 WeakPolarHBondContact CE-O 3.46Å; K11-Y78 PolarHBondContact NZ-O 2.88Å; K11-R80 PolarHBondContact NZ-O 3.15Å; K11-M83 PolarHBondContact O-N 2.99Å; K11-G84 PolarHBondContact O-N 3.42Å |
| 12 | L | 96.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142 | 177.1 | -54.6 | -174 | 0 | 0 | 0 | 110.7 | L60 Q61 I62 W63 G84 F163 L166 I170 | L12-L60 HydrophobicContact CD1-CD1 4.33Å; L12-L60 HydrophobicContact CD1-CD2 4.31Å; L12-Q61 PolarHBondContact N-O 2.8Å; L12-I62 HydrophobicContact CB-CG1 4.31Å; L12-I62 HydrophobicContact CB-CG2 4.4Å; L12-I62 HydrophobicContact CD1-CG1 4.3Å; L12-I62 WeakPolarHBondContact O-CA 3.43Å; L12-W63 PolarHBondContact O-N 2.77Å; L12-G84 CarbonylContact C-O 3.45Å; L12-G84 VanDerWaalsContact CA-O 3.28Å; L12-G84 WeakPolarHBondContact CA-O 3.27Å; L12-F163 HydrophobicContact CD1-CD1 4.05Å; L12-L166 HydrophobicContact CD2-CD2 4.08Å; L12-L166 HydrophobicContact CD2-CG 4.47Å; L12-I170 HydrophobicContact CD2-CD1 3.43Å; L12-I170 VanDerWaalsContact CD2-CD1 3.43Å |
| 13 | L | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.1 | 177 | -173.4 | 67.5 | 0 | 0 | 0 | 110.6 | I15 W63 T65 Y79 A82 G84 I85 M86 | L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.66Å; L13-W63 HydrophobicContact CD1-CB 3.66Å; L13-T65 HydrophobicContact CD1-CG2 3.59Å; L13-T65 HydrophobicContact CG-CG2 4.44Å; L13-Y79 HydrophobicContact CD2-CD1 4.02Å; L13-Y79 HydrophobicContact CD2-CE1 4.14Å; L13-Y79 HydrophobicContact CD2-CG 4.34Å; L13-A82 HydrophobicContact CB-CB 4.4Å; L13-G84 PolarHBondContact N-O 2.87Å; L13-I85 HydrophobicContact CB-CG1 4.24Å; L13-I85 WeakPolarHBondContact O-CA 3.5Å; L13-M86 PolarHBondContact O-N 3.27Å |
| 14 | L | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.8 | 171.6 | -72.1 | 160.6 | 0 | 0 | 0 | 109.3 | K22 L26 I62 W63 D64 T65 M86 V88 F163 | L14-K22 HydrophobicContact CB-CB 4.37Å; L14-L26 HydrophobicContact CD1-CB 3.82Å; L14-L26 HydrophobicContact CD1-CD1 4.48Å; L14-I62 HydrophobicContact CD1-CG2 3.74Å; L14-I62 HydrophobicContact CG-CG2 4.17Å; L14-W63 PolarHBondContact N-O 3.29Å; L14-D64 HydrophobicContact CD1-CB 4.45Å; L14-T65 PolarHBondContact O-OG1 2.91Å; L14-M86 HydrophobicContact CD2-CB 3.65Å; L14-M86 HydrophobicContact CD2-CG 4.38Å; L14-M86 HydrophobicContact CD2-SD 4.02Å; L14-V88 HydrophobicContact CD2-CG2 4.18Å; L14-F163 HydrophobicContact CD1-CZ 4.42Å; L14-F163 HydrophobicContact CD2-CZ 4.36Å |
| 15 | I | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 161.1 | 178.7 | 74.9 | 174.8 | 0 | 0 | 0 | 111.8 | L13 K22 I74 Y79 I85 M86 L87 V88 W103 I107 | L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.66Å; I15-K22 VanDerWaalsContact C-CD 3.42Å; I15-I74 HydrophobicContact CB-CD1 3.84Å; I15-I74 HydrophobicContact CG2-CD1 3.44Å; I15-I74 VanDerWaalsContact CG2-CD1 3.44Å; I15-Y79 HydrophobicContact CD1-CE1 4.33Å; I15-I85 HydrophobicContact CD1-CG2 3.88Å; I15-I85 HydrophobicContact CG1-CG2 3.98Å; I15-I85 HydrophobicContact CG2-CG2 4.3Å; I15-M86 PolarHBondContact N-O 3.43Å; I15-L87 HydrophobicContact CD1-CD1 4.48Å; I15-L87 HydrophobicContact CD1-CD2 4.47Å; I15-L87 HydrophobicContact CD1-CG 3.93Å; I15-L87 HydrophobicContact CG1-CB 4.41Å; I15-L87 HydrophobicContact CG1-CG 3.81Å; I15-L87 WeakPolarHBondContact O-CA 3.29Å; I15-V88 PolarHBondContact O-N 2.83Å; I15-W103 HydrophobicContact CB-CE3 4.23Å; I15-W103 HydrophobicContact CB-CZ3 4.38Å; I15-W103 HydrophobicContact CD1-CB 4.21Å; I15-W103 HydrophobicContact CD1-CD2 4.41Å; I15-W103 HydrophobicContact CD1-CE3 3.86Å; I15-W103 HydrophobicContact CG1-CE3 4.29Å; I15-I107 HydrophobicContact CD1-CD1 3.68Å; I15-I107 HydrophobicContact CD1-CG1 3.79Å |
| 16 | G | 93.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | 141.4 | 171.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K22 V88 | G16-K22 PolarHBondContact O-NZ 2.74Å; G16-V88 WeakPolarHBondContact CA-O 3.48Å | ||
| 17 | D | 91.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 14% | 0.144 | 14% | 0.137 | C | C | . | . | trans | -62.9 | 166.5 | -175.3 | -76.8 | 17.6 | 0 | 0 | 0 | 113.7 | V20 K22 N99 W103 | D17-V20 HydrophobicContact CB-CG1 3.77Å; D17-V20 VanDerWaalsContact O-CG2 3.22Å; D17-V20 WeakPolarHBondContact O-CG2 3.38Å; D17-K22 PolarHBondContact O-NZ 2.81Å; D17-N99 PolarHBondContact OD2-ND2 2.93Å; D17-W103 PolarHBondContact OD1-NE1 3.37Å | ||
| 18 | S | 89.1 | Confident | 93.7 | Very high | 36 Ų | 36 | 20.5 Ų | 20.5 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 142.4 | 169.5 | -164.2 | 0 | 0 | 0 | 0 | 110.8 | V20 G67 | S18-V20 PolarHBondContact O-N 2.98Å; S18-G67 WeakPolarHBondContact CA-O 3.31Å; S18-G67 VanDerWaalsContact CB-O 3.26Å; S18-G67 WeakPolarHBondContact CB-O 3.45Å; S18-G67 PolarHBondContact N-O 2.92Å |
| 19 | G | 90.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 19 Ų | 19 | 30% | 0.299 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -3.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G21 K123 | G19-G21 PolarHBondContact O-N 2.92Å; G19-K123 WeakPolarHBondContact O-CE 3.39Å; G19-K123 PolarHBondContact O-NZ 3.09Å |
| 20 | V | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -70.9 | -16.7 | 179.3 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | D17 S18 K22 V88 D90 N122 | D17-V20 HydrophobicContact CB-CG1 3.77Å; D17-V20 VanDerWaalsContact O-CG2 3.22Å; D17-V20 WeakPolarHBondContact O-CG2 3.38Å; S18-V20 PolarHBondContact O-N 2.98Å; V20-K22 HydrophobicContact CG2-CD 4.33Å; V20-K22 HydrophobicContact CG2-CG 3.66Å; V20-V88 HydrophobicContact CB-CG1 4.38Å; V20-V88 HydrophobicContact CG2-CB 3.97Å; V20-V88 HydrophobicContact CG2-CG1 3.95Å; V20-V88 WeakPolarHBondContact CG2-O 3.49Å; V20-D90 HydrophobicContact CB-CB 4.23Å; V20-D90 HydrophobicContact CG1-CB 4.22Å; V20-N122 PolarHBondContact O-ND2 3.31Å |
| 21 | G | 93.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 21 Ų | 21 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | trans | 99.1 | 23.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G19 T23 C24 V25 | G19-G21 PolarHBondContact O-N 2.92Å; G21-T23 PolarHBondContact O-N 2.91Å; G21-C24 WeakPolarHBondContact O-CB 3.33Å; G21-C24 PolarHBondContact O-N 3.42Å; G21-C24 VanDerWaalsContact O-N 3.15Å; G21-V25 WeakPolarHBondContact O-CG2 3.23Å; G21-V25 PolarHBondContact O-N 2.94Å | ||
| 22 | K | 94.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -51.8 | -51.4 | 175.3 | -57 | -175 | -61.9 | -77.5 | 0 | 112.7 | L14 I15 G16 D17 V20 C24 V25 L26 D64 T65 V88 | L14-K22 HydrophobicContact CB-CB 4.37Å; I15-K22 VanDerWaalsContact C-CD 3.42Å; G16-K22 PolarHBondContact O-NZ 2.74Å; D17-K22 PolarHBondContact O-NZ 2.81Å; V20-K22 HydrophobicContact CG2-CD 4.33Å; V20-K22 HydrophobicContact CG2-CG 3.66Å; K22-C24 VanDerWaalsContact C-N 3.33Å; K22-C24 PolarHBondContact O-N 3.23Å; K22-V25 WeakPolarHBondContact O-CB 2.8Å; K22-V25 PolarHBondContact O-N 3.31Å; K22-V25 VanDerWaalsContact O-N 3.14Å; K22-L26 PolarHBondContact O-N 3.01Å; K22-D64 WeakPolarHBondContact CB-OD1 3.37Å; K22-T65 WeakPolarHBondContact CE-O 3.33Å; K22-V88 HydrophobicContact CG-CB 4Å; K22-V88 HydrophobicContact CG-CG2 4.03Å |
| 23 | T | 91.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 176.8 | -45 | 0 | 0 | 0 | 0 | 112.3 | G21 L26 F27 T41 D64 | G21-T23 PolarHBondContact O-N 2.91Å; T23-L26 PolarHBondContact O-N 2.73Å; T23-F27 HydrophobicContact CG2-CD2 3.74Å; T23-F27 HydrophobicContact CG2-CE2 3.41Å; T23-F27 VanDerWaalsContact CG2-CE2 3.41Å; T23-F27 HydrophobicContact CG2-CZ 4.27Å; T23-F27 WeakPolarHBondContact O-CD2 3.3Å; T23-F27 PolarHBondContact O-N 3.27Å; T23-T41 PolarHBondContact OG1-OG1 3.11Å; T23-D64 WeakPolarHBondContact CA-OD2 3.48Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.25Å; T23-D64 PolarHBondContact N-OD1 3.47Å; T23-D64 PolarHBondContact OG1-OD2 3.33Å |
| 24 | C | 93.3 | Very high | 88.9 | Confident | 38 Ų | 38 | 29.9 Ų | 29.9 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 112 | G21 K22 L26 R28 F34 A153 | G21-C24 WeakPolarHBondContact O-CB 3.33Å; G21-C24 PolarHBondContact O-N 3.42Å; G21-C24 VanDerWaalsContact O-N 3.15Å; K22-C24 VanDerWaalsContact C-N 3.33Å; K22-C24 PolarHBondContact O-N 3.23Å; C24-L26 VanDerWaalsContact C-N 3.35Å; C24-R28 VanDerWaalsContact O-CB 3.24Å; C24-R28 WeakPolarHBondContact O-CB 3.24Å; C24-R28 PolarHBondContact O-N 3.42Å; C24-F34 HydrophobicContact CB-CD2 4.21Å; C24-F34 HydrophobicContact CB-CE2 3.94Å; C24-A153 HydrophobicContact CB-CB 3.63Å |
| 25 | V | 95.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.5 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | G21 K22 F29 L120 A153 I159 F163 | G21-V25 WeakPolarHBondContact O-CG2 3.23Å; G21-V25 PolarHBondContact O-N 2.94Å; K22-V25 WeakPolarHBondContact O-CB 2.8Å; K22-V25 PolarHBondContact O-N 3.31Å; K22-V25 VanDerWaalsContact O-N 3.14Å; V25-F29 WeakPolarHBondContact O-CB 3.4Å; V25-F29 PolarHBondContact O-N 2.85Å; V25-L120 HydrophobicContact CG1-CD1 4.44Å; V25-A153 HydrophobicContact CG2-CB 4.12Å; V25-I159 HydrophobicContact CB-CD1 4.33Å; V25-I159 HydrophobicContact CG1-CD1 4.07Å; V25-I159 HydrophobicContact CG2-CD1 3.95Å; V25-F163 HydrophobicContact CG1-CE2 3.71Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å |
| 26 | L | 94.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -52.8 | 175.9 | 178.4 | 54.5 | 0 | 0 | 0 | 111.8 | L14 K22 T23 C24 R28 F29 S30 K47 I62 D64 | L14-L26 HydrophobicContact CD1-CB 3.82Å; L14-L26 HydrophobicContact CD1-CD1 4.48Å; K22-L26 PolarHBondContact O-N 3.01Å; T23-L26 PolarHBondContact O-N 2.73Å; C24-L26 VanDerWaalsContact C-N 3.35Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.47Å; L26-F29 PolarHBondContact O-N 3.41Å; L26-F29 VanDerWaalsContact O-N 3.11Å; L26-S30 PolarHBondContact O-N 2.93Å; L26-S30 PolarHBondContact O-OG 2.96Å; L26-K47 HydrophobicContact CD1-CB 4.01Å; L26-K47 HydrophobicContact CD1-CG 4.4Å; L26-K47 HydrophobicContact CD2-CB 4.06Å; L26-K47 HydrophobicContact CD2-CG 3.87Å; L26-K47 HydrophobicContact CG-CB 4.28Å; L26-K47 HydrophobicContact CG-CG 4.13Å; L26-I62 HydrophobicContact CD1-CB 3.77Å; L26-I62 HydrophobicContact CD1-CD1 3.74Å; L26-I62 HydrophobicContact CD1-CG1 4.37Å; L26-I62 HydrophobicContact CD1-CG2 3.63Å; L26-I62 HydrophobicContact CD2-CG2 4.48Å; L26-D64 HydrophobicContact CD2-CB 3.59Å |
| 27 | F | 91.4 | Very high | 84.7 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | -179.3 | -77.7 | -46.3 | 0 | 0 | 0 | 112.6 | T23 F29 S30 D31 D32 A33 | T23-F27 HydrophobicContact CG2-CD2 3.74Å; T23-F27 HydrophobicContact CG2-CE2 3.41Å; T23-F27 VanDerWaalsContact CG2-CE2 3.41Å; T23-F27 HydrophobicContact CG2-CZ 4.27Å; T23-F27 WeakPolarHBondContact O-CD2 3.3Å; T23-F27 PolarHBondContact O-N 3.27Å; F27-F29 VanDerWaalsContact C-N 3.27Å; F27-F29 PolarHBondContact O-N 3.35Å; F27-S30 PolarHBondContact O-N 2.85Å; F27-D31 PolarHBondContact O-N 2.83Å; F27-D32 PolarHBondContact O-N 2.75Å; F27-A33 CarbonylContact C-O 3.5Å |
| 28 | R | 93.7 | Very high | 83.2 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.3 | 178.2 | 55.4 | 73.2 | -178 | 4.5 | 110.9 | C24 L26 D32 A33 A153 K154 N156 I159 | C24-R28 VanDerWaalsContact O-CB 3.24Å; C24-R28 WeakPolarHBondContact O-CB 3.24Å; C24-R28 PolarHBondContact O-N 3.42Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.47Å; R28-D32 IonicContact CZ-OD1 3.37Å; R28-D32 VanDerWaalsContact NH1-C 3.35Å; R28-D32 PolarHBondContact NH1-O 3.42Å; R28-D32 IonicContact NH1-OD1 3.57Å; R28-D32 PolarHBondContact NH1-OD1 3.03Å; R28-D32 WeakPolarHBondContact O-CA 3.3Å; R28-D32 PolarHBondContact O-N 3.18Å; R28-A33 WeakPolarHBondContact CA-O 3Å; R28-A33 PolarHBondContact N-O 3.18Å; R28-A153 HydrophobicContact CB-CB 4.39Å; R28-A153 PolarHBondContact NE-O 3.29Å; R28-K154 PolarHBondContact NH2-O 3.22Å; R28-N156 WeakPolarHBondContact CD-OD1 3.47Å; R28-N156 HydrophobicContact CG-CB 4.35Å; R28-N156 WeakPolarHBondContact CG-OD1 3.22Å; R28-I159 HydrophobicContact CB-CG2 4.26Å; R28-I159 HydrophobicContact CG-CB 4.22Å; R28-I159 HydrophobicContact CG-CG1 3.9Å; R28-I159 HydrophobicContact CG-CG2 4Å |
| 29 | F | 93.6 | Very high | 82 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | -44.4 | 175.9 | 178.9 | -114.5 | 0 | 0 | 0 | 112.9 | V25 L26 F27 K49 V51 L60 I62 I159 E160 F163 | V25-F29 WeakPolarHBondContact O-CB 3.4Å; V25-F29 PolarHBondContact O-N 2.85Å; L26-F29 PolarHBondContact O-N 3.41Å; L26-F29 VanDerWaalsContact O-N 3.11Å; F27-F29 VanDerWaalsContact C-N 3.27Å; F27-F29 PolarHBondContact O-N 3.35Å; F29-K49 HydrophobicContact CD1-CD 4.01Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.62Å; F29-K49 HydrophobicContact CE1-CG 4.19Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.75Å; F29-K49 HydrophobicContact CZ-CG 4.4Å; F29-K49 WeakPolarHBondContact O-CD 3.21Å; F29-K49 PolarHBondContact O-NZ 2.95Å; F29-V51 HydrophobicContact CZ-CG1 4.02Å; F29-L60 HydrophobicContact CE1-CD1 3.98Å; F29-L60 HydrophobicContact CZ-CD1 3.94Å; F29-I62 HydrophobicContact CD1-CD1 3.65Å; F29-I62 HydrophobicContact CE1-CD1 3.65Å; F29-I159 HydrophobicContact CB-CG2 3.76Å; F29-E160 HydrophobicContact CE2-CG 4.44Å; F29-F163 HydrophobicContact CB-CD2 3.69Å; F29-F163 HydrophobicContact CB-CE2 3.51Å; F29-F163 HydrophobicContact CB-CG 4.5Å; F29-F163 HydrophobicContact CB-CZ 4.2Å; F29-F163 HydrophobicContact CD1-CB 4.37Å; F29-F163 AromaticContact CD1-CD1 3.95Å; F29-F163 HydrophobicContact CD1-CD1 3.95Å; F29-F163 AromaticContact CD1-CD2 3.84Å; F29-F163 HydrophobicContact CD1-CD2 3.84Å; F29-F163 HydrophobicContact CD1-CE1 4.17Å; F29-F163 HydrophobicContact CD1-CE2 4.06Å; F29-F163 AromaticContact CD1-CG 3.79Å; F29-F163 HydrophobicContact CD1-CG 3.79Å; F29-F163 HydrophobicContact CD1-CZ 4.23Å; F29-F163 HydrophobicContact CD2-CB 3.95Å; F29-F163 AromaticContact CD2-CD2 3.59Å; F29-F163 HydrophobicContact CD2-CD2 3.59Å; F29-F163 HydrophobicContact CD2-CE2 4.32Å; F29-F163 AromaticContact CD2-CG 3.89Å; F29-F163 HydrophobicContact CD2-CG 3.89Å; F29-F163 HydrophobicContact CE1-CB 4.05Å; F29-F163 AromaticContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD2 4.36Å; F29-F163 AromaticContact CE1-CG 3.88Å; F29-F163 HydrophobicContact CE1-CG 3.88Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.16Å; F29-F163 AromaticContact CE2-CG 3.99Å; F29-F163 HydrophobicContact CE2-CG 3.99Å; F29-F163 HydrophobicContact CG-CB 4.32Å; F29-F163 HydrophobicContact CG-CD1 4.37Å; F29-F163 AromaticContact CG-CD2 3.4Å; F29-F163 HydrophobicContact CG-CD2 3.4Å; F29-F163 VanDerWaalsContact CG-CD2 3.4Å; F29-F163 AromaticContact CG-CE2 3.71Å; F29-F163 HydrophobicContact CG-CE2 3.71Å; F29-F163 AromaticContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CZ 4.32Å; F29-F163 HydrophobicContact CZ-CB 3.64Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.98Å; F29-F163 HydrophobicContact CZ-CG 3.98Å |
| 30 | S | 88 | Confident | 80.8 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81 | -41.2 | -170.6 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | L26 F27 | L26-S30 PolarHBondContact O-N 2.93Å; L26-S30 PolarHBondContact O-OG 2.96Å; F27-S30 PolarHBondContact O-N 2.85Å |
| 31 | D | 82.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -120.9 | 2.9 | -164.6 | -55.7 | -10 | 0 | 0 | 0 | 112.1 | F27 A33 K47 | F27-D31 PolarHBondContact O-N 2.83Å; D31-A33 HydrophobicContact CB-CB 4.21Å; D31-A33 PolarHBondContact O-N 2.65Å; D31-A33 VanDerWaalsContact O-N 3.08Å; D31-K47 IonicContact OD1-NZ 2.77Å; D31-K47 PolarHBondContact OD1-NZ 2.79Å; D31-K47 IonicContact OD2-NZ 3.13Å; D31-K47 PolarHBondContact OD2-NZ 3.39Å |
| 32 | D | 77.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 44.9 | 35.6 | -169.5 | -164.2 | 21 | 0 | 0 | 0 | 113.6 | F27 R28 | F27-D32 PolarHBondContact O-N 2.75Å; R28-D32 IonicContact CZ-OD1 3.37Å; R28-D32 VanDerWaalsContact NH1-C 3.35Å; R28-D32 PolarHBondContact NH1-O 3.42Å; R28-D32 IonicContact NH1-OD1 3.57Å; R28-D32 PolarHBondContact NH1-OD1 3.03Å; R28-D32 WeakPolarHBondContact O-CA 3.3Å; R28-D32 PolarHBondContact O-N 3.18Å |
| 33 | A | 67.4 | Low | 76.6 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | trans | -119.2 | 149.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | F27 R28 D31 | F27-A33 CarbonylContact C-O 3.5Å; R28-A33 WeakPolarHBondContact CA-O 3Å; R28-A33 PolarHBondContact N-O 3.18Å; D31-A33 HydrophobicContact CB-CB 4.21Å; D31-A33 PolarHBondContact O-N 2.65Å; D31-A33 VanDerWaalsContact O-N 3.08Å | ||
| 34 | F | 62.3 | Low | 75.8 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 31% | 0.311 | 37% | 0.371 | S | S | . | . | trans | -134.8 | 124.6 | 170.5 | 179.9 | -97.4 | 0 | 0 | 0 | 109.8 | C24 T36 A153 K154 | C24-F34 HydrophobicContact CB-CD2 4.21Å; C24-F34 HydrophobicContact CB-CE2 3.94Å; F34-T36 HydrophobicContact CD1-CG2 4.23Å; F34-T36 HydrophobicContact CE1-CG2 3.74Å; F34-A153 HydrophobicContact CD2-CB 4.06Å; F34-A153 WeakPolarHBondContact CD2-O 3.15Å; F34-A153 HydrophobicContact CE2-CB 4.05Å; F34-K154 HydrophobicContact CD1-CB 4.46Å; F34-K154 HydrophobicContact CD1-CG 4.24Å; F34-K154 HydrophobicContact CD2-CB 4.44Å; F34-K154 HydrophobicContact CE1-CB 4.02Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 4Å; F34-K154 HydrophobicContact CZ-CB 3.78Å; F34-K154 HydrophobicContact CZ-CG 4.06Å | ||
| 35 | N | 67.9 | Low | 75.3 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | trans | -105.8 | 127.3 | 173.9 | -164.7 | -23.9 | 0 | 0 | 0 | 109.1 | T37 | N35-T37 VanDerWaalsContact C-N 3.29Å; N35-T37 WeakPolarHBondContact OD1-CB 3.36Å; N35-T37 PolarHBondContact OD1-N 3.28Å; N35-T37 PolarHBondContact OD1-OG1 2.73Å; N35-T37 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 36 | T | 60.6 | Low | 74.9 | Confident | 120 Ų | 120 | 70.7 Ų | 70.7 | 74% | 0.736 | 39% | 0.388 | S | S | * | . | trans | -76.6 | -17.9 | 176.9 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | F34 F38 | F34-T36 HydrophobicContact CD1-CG2 4.23Å; F34-T36 HydrophobicContact CE1-CG2 3.74Å; T36-F38 PolarHBondContact O-N 3.03Å | ||
| 37 | T | 65.2 | Low | 74.7 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -72.9 | 109.8 | 179.6 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | N35 I39 | N35-T37 VanDerWaalsContact C-N 3.29Å; N35-T37 WeakPolarHBondContact OD1-CB 3.36Å; N35-T37 PolarHBondContact OD1-N 3.28Å; N35-T37 PolarHBondContact OD1-OG1 2.73Å; N35-T37 VanDerWaalsContact OD1-OG1 3.09Å; T37-I39 HydrophobicContact CG2-CG1 4.06Å; T37-I39 PolarHBondContact O-N 2.99Å |
| 38 | F | 59.2 | Low | 74.8 | Confident | 138 Ų | 138 | 74.1 Ų | 74.1 | 61% | 0.605 | 41% | 0.406 | S | S | * | . | trans | -70.2 | 100.2 | 172.8 | -178.2 | -103.4 | 0 | 0 | 0 | 109.5 | T36 S40 | T36-F38 PolarHBondContact O-N 3.03Å; F38-S40 WeakPolarHBondContact CE1-OG 3.28Å | ||
| 39 | I | 65.2 | Low | 74.7 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 122.7 | 167.6 | -59.5 | 170.7 | 0 | 0 | 0 | 106.2 | T37 T41 | T37-I39 HydrophobicContact CG2-CG1 4.06Å; T37-I39 PolarHBondContact O-N 2.99Å; I39-T41 PolarHBondContact O-N 3.43Å |
| 40 | S | 64.9 | Low | 74.8 | Confident | 49 Ų | 49 | 78 Ų | 78 | 34% | 0.343 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 124.1 | 175.2 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | F38 I42 | F38-S40 WeakPolarHBondContact CE1-OG 3.28Å; S40-I42 PolarHBondContact O-N 3.28Å |
| 41 | T | 60.3 | Low | 75.1 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -62 | 119.9 | 173.4 | -45.3 | 0 | 0 | 0 | 0 | 108.8 | T23 I39 A66 | T23-T41 PolarHBondContact OG1-OG1 3.11Å; I39-T41 PolarHBondContact O-N 3.43Å; T41-A66 WeakPolarHBondContact O-CB 3.46Å |
| 42 | I | 64 | Low | 75.6 | Confident | 167 Ų | 167 | 80 Ų | 80 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | trans | -94.9 | 115.9 | 173.2 | -59.8 | 174.8 | 0 | 0 | 0 | 106.8 | S40 | S40-I42 PolarHBondContact O-N 3.28Š| ||
| 43 | G | 68.8 | Low | 76.3 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 80.1 | -130.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A66 | G43-A66 WeakPolarHBondContact O-CB 3.23Å; G43-A66 PolarHBondContact O-N 2.91Å |
| 44 | I | 76.4 | Confident | 77.3 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 26% | 0.256 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.1 | -178.6 | -162.3 | 166.9 | 0 | 0 | 0 | 109.1 | W63 D64 T65 Y78 | I44-W63 HydrophobicContact CD1-CB 4.16Å; I44-W63 HydrophobicContact CD1-CD2 4.44Å; I44-W63 HydrophobicContact CD1-CE3 3.63Å; I44-W63 HydrophobicContact CD1-CZ3 4.42Å; I44-W63 HydrophobicContact CG1-CE3 4.14Å; I44-D64 CarbonylContact C-O 3.52Å; I44-D64 WeakPolarHBondContact CA-O 3.38Å; I44-D64 WeakPolarHBondContact CG1-O 3.36Å; I44-T65 HydrophobicContact CD1-CG2 3.94Å; I44-T65 HydrophobicContact CG1-CG2 4.25Å; I44-Y78 HydrophobicContact CD1-CD1 3.32Å; I44-Y78 HydrophobicContact CD1-CD2 4.09Å; I44-Y78 HydrophobicContact CD1-CE1 3.32Å; I44-Y78 HydrophobicContact CD1-CE2 4.07Å; I44-Y78 HydrophobicContact CD1-CG 3.73Å; I44-Y78 HydrophobicContact CG1-CE1 4.48Å; I44-Y78 HydrophobicContact CG2-CE1 4.04Å |
| 45 | D | 83 | Confident | 78.6 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 31% | 0.31 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 153.5 | 173.2 | -163.9 | 12 | 0 | 0 | 0 | 110.1 | D64 | D45-D64 HydrophobicContact CB-CB 4.38Å; D45-D64 PolarHBondContact N-O 2.75Å; D45-D64 PolarHBondContact O-N 2.92Å |
| 46 | F | 85.4 | Confident | 79.8 | Confident | 71 Ų | 71 | 77 Ų | 77 | 31% | 0.311 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.9 | -172.2 | 173.7 | -98.5 | 0 | 0 | 0 | 111 | I48 Q61 I62 W63 | F46-I48 HydrophobicContact CD1-CG1 4.41Å; F46-I48 HydrophobicContact CE1-CD1 3.6Å; F46-I48 HydrophobicContact CE1-CG1 3.41Å; F46-I48 VanDerWaalsContact CE1-CG1 3.41Å; F46-I48 HydrophobicContact CZ-CD1 3.75Å; F46-I48 HydrophobicContact CZ-CG1 3.48Å; F46-I48 VanDerWaalsContact CZ-CG1 3.48Å; F46-Q61 HydrophobicContact CE2-CB 3.75Å; F46-Q61 HydrophobicContact CE2-CG 3.93Å; F46-Q61 HydrophobicContact CZ-CB 4.11Å; F46-Q61 HydrophobicContact CZ-CG 3.77Å; F46-I62 WeakPolarHBondContact CA-O 3.28Å; F46-W63 AromaticContact CD2-CD2 3.74Å; F46-W63 HydrophobicContact CD2-CD2 3.74Å; F46-W63 AromaticContact CD2-CE2 3.59Å; F46-W63 HydrophobicContact CD2-CE3 4.09Å; F46-W63 HydrophobicContact CD2-CG 4.19Å; F46-W63 HydrophobicContact CD2-CH2 4.28Å; F46-W63 AromaticContact CD2-CZ2 3.89Å; F46-W63 HydrophobicContact CD2-CZ2 3.89Å; F46-W63 HydrophobicContact CD2-CZ3 4.37Å; F46-W63 AromaticContact CD2-NE1 3.86Å; F46-W63 HydrophobicContact CE2-CD2 4.34Å; F46-W63 AromaticContact CE2-CE2 3.73Å; F46-W63 AromaticContact CE2-CZ2 3.91Å; F46-W63 HydrophobicContact CE2-CZ2 3.91Å; F46-W63 AromaticContact CE2-NE1 3.72Å |
| 47 | K | 90.7 | Very high | 81.4 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 24% | 0.235 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.6 | 176.6 | -74.2 | -78.2 | -175.7 | 154.6 | 0 | 111 | L26 D31 I62 | L26-K47 HydrophobicContact CD1-CB 4.01Å; L26-K47 HydrophobicContact CD1-CG 4.4Å; L26-K47 HydrophobicContact CD2-CB 4.06Å; L26-K47 HydrophobicContact CD2-CG 3.87Å; L26-K47 HydrophobicContact CG-CB 4.28Å; L26-K47 HydrophobicContact CG-CG 4.13Å; D31-K47 IonicContact OD1-NZ 2.77Å; D31-K47 PolarHBondContact OD1-NZ 2.79Å; D31-K47 IonicContact OD2-NZ 3.13Å; D31-K47 PolarHBondContact OD2-NZ 3.39Å; K47-I62 PolarHBondContact N-O 3.47Å; K47-I62 PolarHBondContact O-N 2.96Å |
| 48 | I | 92.6 | Very high | 82.8 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.2 | 172.6 | -60.9 | -179.5 | 0 | 0 | 0 | 108.7 | F46 K59 L60 Q61 | F46-I48 HydrophobicContact CD1-CG1 4.41Å; F46-I48 HydrophobicContact CE1-CD1 3.6Å; F46-I48 HydrophobicContact CE1-CG1 3.41Å; F46-I48 VanDerWaalsContact CE1-CG1 3.41Å; F46-I48 HydrophobicContact CZ-CD1 3.75Å; F46-I48 HydrophobicContact CZ-CG1 3.48Å; F46-I48 VanDerWaalsContact CZ-CG1 3.48Å; I48-K59 HydrophobicContact CG2-CD 3.78Å; I48-K59 HydrophobicContact CG2-CG 3.48Å; I48-K59 VanDerWaalsContact CG2-CG 3.48Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.37Å; I48-Q61 HydrophobicContact CG1-CG 4.34Å |
| 49 | K | 93.3 | Very high | 84.6 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.5 | 168.6 | -179.5 | 163.7 | 172.3 | -171 | 0 | 109.7 | F29 V51 L60 | F29-K49 HydrophobicContact CD1-CD 4.01Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.62Å; F29-K49 HydrophobicContact CE1-CG 4.19Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.75Å; F29-K49 HydrophobicContact CZ-CG 4.4Å; F29-K49 WeakPolarHBondContact O-CD 3.21Å; F29-K49 PolarHBondContact O-NZ 2.95Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; K49-L60 PolarHBondContact N-O 3.39Å; K49-L60 WeakPolarHBondContact O-CB 3.33Å; K49-L60 PolarHBondContact O-N 3.27Å |
| 50 | T | 94.1 | Very high | 86.1 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130 | 172.1 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | K57 I58 | T50-K57 HydrophobicContact CG2-CB 4.33Å; T50-I58 CarbonylContact C-O 3.56Å; T50-I58 WeakPolarHBondContact CA-O 3.46Å |
| 51 | V | 94.4 | Very high | 87.5 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 156.2 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | F29 K49 L53 I58 L60 L164 | F29-V51 HydrophobicContact CZ-CG1 4.02Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; V51-L53 HydrophobicContact CG2-CD1 4Å; V51-L53 HydrophobicContact CG2-CG 4.2Å; V51-I58 HydrophobicContact CG2-CB 4.11Å; V51-I58 PolarHBondContact N-O 3.22Å; V51-I58 PolarHBondContact O-N 3.24Å; V51-L60 HydrophobicContact CG1-CD1 4.01Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.46Å; V51-L60 HydrophobicContact CG2-CG 4.09Å; V51-L164 HydrophobicContact CB-CD2 3.99Å; V51-L164 HydrophobicContact CG1-CD2 3.94Å; V51-L164 HydrophobicContact CG2-CD2 4.17Å |
| 52 | E | 93.3 | Very high | 89.2 | Confident | 135 Ų | 135 | 60.1 Ų | 60.1 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.2 | 172.3 | -167.3 | 170.3 | 150.5 | 0 | 0 | 109.2 | K56 | E52-K56 CarbonylContact C-O 3.53Å; E52-K56 WeakPolarHBondContact CA-O 3.36Å |
| 53 | L | 92.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.1 | -178.9 | -75.8 | 173.3 | 0 | 0 | 0 | 109.2 | V51 G55 K56 I58 L164 A167 | V51-L53 HydrophobicContact CG2-CD1 4Å; V51-L53 HydrophobicContact CG2-CG 4.2Å; L53-G55 PolarHBondContact O-N 2.97Å; L53-K56 PolarHBondContact N-O 3.33Å; L53-K56 WeakPolarHBondContact O-CB 3.48Å; L53-K56 PolarHBondContact O-N 3.23Å; L53-I58 HydrophobicContact CB-CD1 3.89Å; L53-I58 HydrophobicContact CD1-CD1 4.2Å; L53-L164 HydrophobicContact CD1-CD2 4.24Å; L53-L164 HydrophobicContact CD2-CB 4.42Å; L53-L164 HydrophobicContact CD2-CD2 4.17Å; L53-L164 HydrophobicContact CG-CD2 4.35Å; L53-A167 HydrophobicContact CD1-CB 3.51Å |
| 54 | Q | 89.9 | Confident | 91.6 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.9 | -178.8 | -56.6 | -179.8 | 0.7 | 0 | 0 | 112.9 | K56 E168 L171 | Q54-K56 PolarHBondContact O-N 2.83Å; Q54-E168 PolarHBondContact NE2-OE1 3.01Å; Q54-L171 HydrophobicContact CB-CD2 4.11Å; Q54-L171 HydrophobicContact CG-CD2 4.12Å |
| 55 | G | 89.6 | Confident | 91.9 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 6.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L53 | L53-G55 PolarHBondContact O-N 2.97Š|
| 56 | K | 91.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.2 | 177.3 | -59.7 | -173.2 | -177.6 | -172.6 | 0 | 111 | D7 L8 E52 L53 Q54 I58 L171 | D7-K56 HydrophobicContact CB-CB 4.29Å; D7-K56 WeakPolarHBondContact OD2-CA 3.33Å; L8-K56 HydrophobicContact CD1-CD 3.92Å; E52-K56 CarbonylContact C-O 3.53Å; E52-K56 WeakPolarHBondContact CA-O 3.36Å; L53-K56 PolarHBondContact N-O 3.33Å; L53-K56 WeakPolarHBondContact O-CB 3.48Å; L53-K56 PolarHBondContact O-N 3.23Å; Q54-K56 PolarHBondContact O-N 2.83Å; K56-I58 HydrophobicContact CB-CG1 4.29Å; K56-I58 PolarHBondContact O-N 3.08Å; K56-L171 HydrophobicContact CD-CD1 4.22Å |
| 57 | K | 94.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 107.1 | 170.8 | -69 | -178.9 | -179.8 | 180 | 0 | 109.2 | D7 L8 T50 | D7-K57 PolarHBondContact N-O 3.01Å; D7-K57 PolarHBondContact OD2-N 3.48Å; L8-K57 PolarHBondContact N-O 3.28Å; T50-K57 HydrophobicContact CG2-CB 4.33Å |
| 58 | I | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.7 | -177.3 | -51.9 | -172.3 | 0 | 0 | 0 | 108.8 | L8 F10 T50 V51 L53 K56 L60 L171 | L8-I58 HydrophobicContact CB-CG1 4.32Å; L8-I58 HydrophobicContact CB-CG2 4.32Å; L8-I58 HydrophobicContact CD1-CD1 4.4Å; L8-I58 WeakPolarHBondContact O-CA 3.39Å; F10-I58 HydrophobicContact CB-CG2 4.42Å; F10-I58 HydrophobicContact CD1-CG2 4.31Å; F10-I58 HydrophobicContact CD2-CD1 4.47Å; F10-I58 HydrophobicContact CD2-CG2 3.41Å; F10-I58 VanDerWaalsContact CD2-CG2 3.41Å; F10-I58 HydrophobicContact CE1-CG2 4.46Å; F10-I58 HydrophobicContact CE2-CD1 3.67Å; F10-I58 HydrophobicContact CE2-CG2 3.6Å; F10-I58 HydrophobicContact CG-CG2 3.79Å; F10-I58 HydrophobicContact CZ-CD1 4.01Å; F10-I58 HydrophobicContact CZ-CG2 4.13Å; T50-I58 CarbonylContact C-O 3.56Å; T50-I58 WeakPolarHBondContact CA-O 3.46Å; V51-I58 HydrophobicContact CG2-CB 4.11Å; V51-I58 PolarHBondContact N-O 3.22Å; V51-I58 PolarHBondContact O-N 3.24Å; L53-I58 HydrophobicContact CB-CD1 3.89Å; L53-I58 HydrophobicContact CD1-CD1 4.2Å; K56-I58 HydrophobicContact CB-CG1 4.29Å; K56-I58 PolarHBondContact O-N 3.08Å; I58-L60 HydrophobicContact CG2-CD2 3.84Å; I58-L171 HydrophobicContact CD1-CD1 4.25Å; I58-L171 HydrophobicContact CD1-CD2 4.13Å |
| 59 | K | 95.6 | Very high | 86.6 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.5 | 173.1 | -175.5 | 175.8 | -72.3 | 177.5 | 0 | 109.2 | Y6 L8 L9 F10 I48 | Y6-K59 HydrophobicContact CD1-CD 4.2Å; Y6-K59 VanDerWaalsContact CD1-CE 3.47Å; Y6-K59 HydrophobicContact CD2-CB 4.05Å; Y6-K59 HydrophobicContact CE1-CD 4.24Å; Y6-K59 HydrophobicContact CG-CB 3.98Å; Y6-K59 HydrophobicContact CG-CD 4.47Å; L8-K59 PolarHBondContact O-N 2.94Å; L9-K59 CarbonylContact C-O 3.34Å; L9-K59 WeakPolarHBondContact CA-O 3.48Å; L9-K59 HydrophobicContact CD1-CB 3.8Å; L9-K59 HydrophobicContact CD1-CD 3.72Å; L9-K59 HydrophobicContact CD1-CG 3.72Å; F10-K59 PolarHBondContact N-O 3.28Å; I48-K59 HydrophobicContact CG2-CD 3.78Å; I48-K59 HydrophobicContact CG2-CG 3.48Å; I48-K59 VanDerWaalsContact CG2-CG 3.48Å |
| 60 | L | 96.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.1 | 174.3 | -53.6 | -179.1 | 0 | 0 | 0 | 109.4 | F10 L12 F29 I48 K49 V51 I58 I62 A167 | F10-L60 HydrophobicContact CB-CD2 3.9Å; F10-L60 HydrophobicContact CD2-CD2 4Å; F10-L60 HydrophobicContact CG-CD2 4.39Å; L12-L60 HydrophobicContact CD1-CD1 4.33Å; L12-L60 HydrophobicContact CD1-CD2 4.31Å; F29-L60 HydrophobicContact CE1-CD1 3.98Å; F29-L60 HydrophobicContact CZ-CD1 3.94Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.37Å; K49-L60 PolarHBondContact N-O 3.39Å; K49-L60 WeakPolarHBondContact O-CB 3.33Å; K49-L60 PolarHBondContact O-N 3.27Å; V51-L60 HydrophobicContact CG1-CD1 4.01Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.46Å; V51-L60 HydrophobicContact CG2-CG 4.09Å; I58-L60 HydrophobicContact CG2-CD2 3.84Å; L60-I62 HydrophobicContact CB-CD1 4.36Å; L60-I62 HydrophobicContact CB-CG1 4.15Å; L60-A167 HydrophobicContact CD2-CB 4.09Å |
| 61 | Q | 95.5 | Very high | 82.4 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 102.8 | 171.6 | -79.3 | -170.3 | -27.3 | 0 | 0 | 108.2 | L9 F10 K11 L12 F46 I48 | L9-Q61 HydrophobicContact CD1-CG 3.74Å; L9-Q61 HydrophobicContact CG-CG 4.4Å; F10-Q61 PolarHBondContact O-N 3.23Å; K11-Q61 WeakPolarHBondContact CA-O 3.43Å; L12-Q61 PolarHBondContact N-O 2.8Å; F46-Q61 HydrophobicContact CE2-CB 3.75Å; F46-Q61 HydrophobicContact CE2-CG 3.93Å; F46-Q61 HydrophobicContact CZ-CB 4.11Å; F46-Q61 HydrophobicContact CZ-CG 3.77Å; I48-Q61 HydrophobicContact CG1-CG 4.34Å |
| 62 | I | 95.1 | Very high | 80.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.2 | -171 | -47.9 | 166.9 | 0 | 0 | 0 | 109 | L12 L14 L26 F29 F46 K47 L60 F163 | L12-I62 HydrophobicContact CB-CG1 4.31Å; L12-I62 HydrophobicContact CB-CG2 4.4Å; L12-I62 HydrophobicContact CD1-CG1 4.3Å; L12-I62 WeakPolarHBondContact O-CA 3.43Å; L14-I62 HydrophobicContact CD1-CG2 3.74Å; L14-I62 HydrophobicContact CG-CG2 4.17Å; L26-I62 HydrophobicContact CD1-CB 3.77Å; L26-I62 HydrophobicContact CD1-CD1 3.74Å; L26-I62 HydrophobicContact CD1-CG1 4.37Å; L26-I62 HydrophobicContact CD1-CG2 3.63Å; L26-I62 HydrophobicContact CD2-CG2 4.48Å; F29-I62 HydrophobicContact CD1-CD1 3.65Å; F29-I62 HydrophobicContact CE1-CD1 3.65Å; F46-I62 WeakPolarHBondContact CA-O 3.28Å; K47-I62 PolarHBondContact N-O 3.47Å; K47-I62 PolarHBondContact O-N 2.96Å; L60-I62 HydrophobicContact CB-CD1 4.36Å; L60-I62 HydrophobicContact CB-CG1 4.15Å; I62-F163 HydrophobicContact CD1-CD1 4.08Å; I62-F163 HydrophobicContact CD1-CE1 3.77Å; I62-F163 HydrophobicContact CG1-CE1 4.43Å; I62-F163 HydrophobicContact CG2-CE1 4.14Å |
| 63 | W | 92.9 | Very high | 78.6 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.9 | -179.6 | -63.3 | 80.7 | 0 | 0 | 0 | 108.9 | L12 L13 L14 I44 F46 Y78 | L12-W63 PolarHBondContact O-N 2.77Å; L13-W63 HydrophobicContact CD1-CB 3.66Å; L14-W63 PolarHBondContact N-O 3.29Å; I44-W63 HydrophobicContact CD1-CB 4.16Å; I44-W63 HydrophobicContact CD1-CD2 4.44Å; I44-W63 HydrophobicContact CD1-CE3 3.63Å; I44-W63 HydrophobicContact CD1-CZ3 4.42Å; I44-W63 HydrophobicContact CG1-CE3 4.14Å; F46-W63 AromaticContact CD2-CD2 3.74Å; F46-W63 HydrophobicContact CD2-CD2 3.74Å; F46-W63 AromaticContact CD2-CE2 3.59Å; F46-W63 HydrophobicContact CD2-CE3 4.09Å; F46-W63 HydrophobicContact CD2-CG 4.19Å; F46-W63 HydrophobicContact CD2-CH2 4.28Å; F46-W63 AromaticContact CD2-CZ2 3.89Å; F46-W63 HydrophobicContact CD2-CZ2 3.89Å; F46-W63 HydrophobicContact CD2-CZ3 4.37Å; F46-W63 AromaticContact CD2-NE1 3.86Å; F46-W63 HydrophobicContact CE2-CD2 4.34Å; F46-W63 AromaticContact CE2-CE2 3.73Å; F46-W63 AromaticContact CE2-CZ2 3.91Å; F46-W63 HydrophobicContact CE2-CZ2 3.91Å; F46-W63 AromaticContact CE2-NE1 3.72Å; W63-Y78 HydrophobicContact CE3-CD1 4.2Å; W63-Y78 HydrophobicContact CE3-CE1 4.23Å; W63-Y78 HydrophobicContact CZ3-CD1 4.36Å; W63-Y78 HydrophobicContact CZ3-CE1 4.08Å |
| 64 | D | 89.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.4 | 174.6 | 178.7 | 44.7 | 0 | 0 | 0 | 110.4 | L14 K22 T23 L26 I44 D45 | L14-D64 HydrophobicContact CD1-CB 4.45Å; K22-D64 WeakPolarHBondContact CB-OD1 3.37Å; T23-D64 WeakPolarHBondContact CA-OD2 3.48Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.25Å; T23-D64 PolarHBondContact N-OD1 3.47Å; T23-D64 PolarHBondContact OG1-OD2 3.33Å; L26-D64 HydrophobicContact CD2-CB 3.59Å; I44-D64 CarbonylContact C-O 3.52Å; I44-D64 WeakPolarHBondContact CA-O 3.38Å; I44-D64 WeakPolarHBondContact CG1-O 3.36Å; D45-D64 HydrophobicContact CB-CB 4.38Å; D45-D64 PolarHBondContact N-O 2.75Å; D45-D64 PolarHBondContact O-N 2.92Å |
| 65 | T | 84.1 | Confident | 76.2 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.3 | -176 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | L13 L14 K22 I44 G67 I74 | L13-T65 HydrophobicContact CD1-CG2 3.59Å; L13-T65 HydrophobicContact CG-CG2 4.44Å; L14-T65 PolarHBondContact O-OG1 2.91Å; K22-T65 WeakPolarHBondContact CE-O 3.33Å; I44-T65 HydrophobicContact CD1-CG2 3.94Å; I44-T65 HydrophobicContact CG1-CG2 4.25Å; T65-G67 PolarHBondContact O-N 2.95Å; T65-I74 HydrophobicContact CG2-CD1 4.02Å; T65-I74 HydrophobicContact CG2-CG1 4.39Å; T65-I74 HydrophobicContact CG2-CG2 4.28Å |
| 66 | A | 73.5 | Confident | 75.3 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 127.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T41 G43 Q68 | T41-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 WeakPolarHBondContact O-CB 3.23Å; G43-A66 PolarHBondContact O-N 2.91Å; A66-Q68 PolarHBondContact O-N 3.4Å |
| 67 | G | 59.4 | Low | 74.7 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -81.5 | 5.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | S18 T65 E69 | S18-G67 WeakPolarHBondContact CA-O 3.31Å; S18-G67 VanDerWaalsContact CB-O 3.26Å; S18-G67 WeakPolarHBondContact CB-O 3.45Å; S18-G67 PolarHBondContact N-O 2.92Å; T65-G67 PolarHBondContact O-N 2.95Å; G67-E69 PolarHBondContact O-N 2.84Å | ||
| 68 | Q | 55.4 | Low | 74.2 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | trans | -60.9 | 109.5 | -176.3 | -98.5 | -101 | -34.8 | 0 | 0 | 110.7 | A66 R70 F71 | A66-Q68 PolarHBondContact O-N 3.4Å; Q68-R70 PolarHBondContact O-N 2.66Å; Q68-R70 VanDerWaalsContact O-N 3.15Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.08Å; Q68-F71 HydrophobicContact CB-CD2 4.16Å; Q68-F71 PolarHBondContact O-N 3.36Å | ||
| 69 | E | 51.1 | Low | 73.8 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -55 | -28.7 | 176.9 | 57.7 | -72.2 | 159.9 | 0 | 0 | 113.2 | G67 F71 H72 | G67-E69 PolarHBondContact O-N 2.84Å; E69-F71 PolarHBondContact O-N 2.81Å; E69-H72 PolarHBondContact O-CD2 3.04Å; E69-H72 PolarHBondContact O-CE1 3.48Å; E69-H72 VanDerWaalsContact O-CE1 3.3Å; E69-H72 PolarHBondContact O-N 2.8Å; E69-H72 PolarHBondContact O-ND1 3.08Å; E69-H72 PolarHBondContact O-NE2 2.88Å |
| 70 | R | 48.6 | Very low | 73.3 | Confident | 180 Ų | 180 | 65.2 Ų | 65.2 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -63.8 | -15.2 | -179.7 | -67 | -170.6 | -65.5 | -176.2 | -1.2 | 114.4 | Q68 | Q68-R70 PolarHBondContact O-N 2.66Å; Q68-R70 VanDerWaalsContact O-N 3.15Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.08Å |
| 71 | F | 51.1 | Low | 73 | Confident | 160 Ų | 160 | 66.9 Ų | 66.9 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -107.4 | 4.2 | 176.1 | -61.5 | -68.5 | 0 | 0 | 0 | 114 | Q68 E69 T73 | Q68-F71 HydrophobicContact CB-CD2 4.16Å; Q68-F71 PolarHBondContact O-N 3.36Å; E69-F71 PolarHBondContact O-N 2.81Å; F71-T73 PolarHBondContact O-N 3.36Å |
| 72 | H | 51.2 | Low | 72.9 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 62% | 0.616 | 32% | 0.322 | S | S | * | . | trans | 37.1 | -9.4 | 170.3 | -83.9 | -54.7 | 0 | 0 | 0 | 121.9 | E69 | E69-H72 PolarHBondContact O-CD2 3.04Å; E69-H72 PolarHBondContact O-CE1 3.48Å; E69-H72 VanDerWaalsContact O-CE1 3.3Å; E69-H72 PolarHBondContact O-N 2.8Å; E69-H72 PolarHBondContact O-ND1 3.08Å; E69-H72 PolarHBondContact O-NE2 2.88Å | ||
| 73 | T | 57.2 | Low | 73 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | trans | -148.5 | 106.7 | -169.2 | -53.3 | 0 | 0 | 0 | 0 | 107.7 | F71 T75 | F71-T73 PolarHBondContact O-N 3.36Å; T73-T75 PolarHBondContact O-N 3.46Å; T73-T75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | I | 64.1 | Low | 73.2 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | trans | -56.2 | 120.9 | 155.2 | -63.3 | 176.9 | 0 | 0 | 0 | 105.1 | I15 T65 T76 Y78 Y79 W103 | I15-I74 HydrophobicContact CB-CD1 3.84Å; I15-I74 HydrophobicContact CG2-CD1 3.44Å; I15-I74 VanDerWaalsContact CG2-CD1 3.44Å; T65-I74 HydrophobicContact CG2-CD1 4.02Å; T65-I74 HydrophobicContact CG2-CG1 4.39Å; T65-I74 HydrophobicContact CG2-CG2 4.28Å; I74-T76 PolarHBondContact O-N 2.9Å; I74-Y78 HydrophobicContact CG2-CD2 3.92Å; I74-Y78 HydrophobicContact CG2-CG 4.38Å; I74-Y79 HydrophobicContact CB-CE2 3.84Å; I74-Y79 HydrophobicContact CG2-CD2 4.2Å; I74-Y79 HydrophobicContact CG2-CE2 3.7Å; I74-W103 HydrophobicContact CD1-CE3 4.41Å; I74-W103 HydrophobicContact CD1-CH2 3.91Å; I74-W103 HydrophobicContact CD1-CZ3 3.45Å; I74-W103 VanDerWaalsContact CD1-CZ3 3.45Å; I74-W103 HydrophobicContact CG1-CH2 4.23Å; I74-W103 HydrophobicContact CG1-CZ3 3.99Å | ||
| 75 | T | 67.1 | Low | 73.6 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | trans | -54.4 | 131.8 | -179.3 | -45.2 | 0 | 0 | 0 | 0 | 109 | T73 S77 Y78 | T73-T75 PolarHBondContact O-N 3.46Å; T73-T75 VanDerWaalsContact O-N 3.12Å; T75-S77 WeakPolarHBondContact CB-OG 3.45Å; T75-S77 WeakPolarHBondContact CG2-OG 3.25Å; T75-S77 PolarHBondContact O-N 2.65Å; T75-Y78 WeakPolarHBondContact O-CD2 3.31Å; T75-Y78 PolarHBondContact O-N 2.86Å | ||
| 76 | T | 72.3 | Confident | 74.2 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.2 | -26.4 | -179.2 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | I74 Y78 Y79 R80 H110 | I74-T76 PolarHBondContact O-N 2.9Å; T76-Y78 PolarHBondContact O-N 2.91Å; T76-Y79 PolarHBondContact O-N 3.07Å; T76-R80 PolarHBondContact O-N 2.94Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.45Å |
| 77 | S | 78.3 | Confident | 75.3 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.9 | -29.3 | 172.8 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | T75 | T75-S77 WeakPolarHBondContact CB-OG 3.45Å; T75-S77 WeakPolarHBondContact CG2-OG 3.25Å; T75-S77 PolarHBondContact O-N 2.65Å |
| 78 | Y | 83.4 | Confident | 77.2 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -77.9 | -36.2 | -179.4 | -64.3 | -64 | 0 | 0 | 0 | 112.7 | K11 I44 W63 I74 T75 T76 R80 | K11-Y78 WeakPolarHBondContact CE-O 3.46Å; K11-Y78 PolarHBondContact NZ-O 2.88Å; I44-Y78 HydrophobicContact CD1-CD1 3.32Å; I44-Y78 HydrophobicContact CD1-CD2 4.09Å; I44-Y78 HydrophobicContact CD1-CE1 3.32Å; I44-Y78 HydrophobicContact CD1-CE2 4.07Å; I44-Y78 HydrophobicContact CD1-CG 3.73Å; I44-Y78 HydrophobicContact CG1-CE1 4.48Å; I44-Y78 HydrophobicContact CG2-CE1 4.04Å; W63-Y78 HydrophobicContact CE3-CD1 4.2Å; W63-Y78 HydrophobicContact CE3-CE1 4.23Å; W63-Y78 HydrophobicContact CZ3-CD1 4.36Å; W63-Y78 HydrophobicContact CZ3-CE1 4.08Å; I74-Y78 HydrophobicContact CG2-CD2 3.92Å; I74-Y78 HydrophobicContact CG2-CG 4.38Å; T75-Y78 WeakPolarHBondContact O-CD2 3.31Å; T75-Y78 PolarHBondContact O-N 2.86Å; T76-Y78 PolarHBondContact O-N 2.91Å; Y78-R80 VanDerWaalsContact C-N 3.26Å; Y78-R80 PolarHBondContact O-N 3.39Å |
| 79 | Y | 87.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 172.9 | -69.1 | -86 | 0 | 0 | 0 | 111.5 | L13 I15 I74 T76 G81 A82 I85 I107 H110 A111 | L13-Y79 HydrophobicContact CD2-CD1 4.02Å; L13-Y79 HydrophobicContact CD2-CE1 4.14Å; L13-Y79 HydrophobicContact CD2-CG 4.34Å; I15-Y79 HydrophobicContact CD1-CE1 4.33Å; I74-Y79 HydrophobicContact CB-CE2 3.84Å; I74-Y79 HydrophobicContact CG2-CD2 4.2Å; I74-Y79 HydrophobicContact CG2-CE2 3.7Å; T76-Y79 PolarHBondContact O-N 3.07Å; Y79-G81 PolarHBondContact O-N 2.83Å; Y79-G81 VanDerWaalsContact O-N 3.16Å; Y79-A82 WeakPolarHBondContact O-CB 3.06Å; Y79-A82 PolarHBondContact O-N 2.78Å; Y79-I85 HydrophobicContact CD1-CD1 3.86Å; Y79-I85 HydrophobicContact CE1-CD1 4.25Å; Y79-I107 HydrophobicContact CE1-CG1 3.88Å; Y79-H110 WeakPolarHBondContact CB-O 3.41Å; Y79-H110 HydrophobicContact CD2-CB 3.94Å; Y79-H110 HydrophobicContact CG-CB 3.89Å; Y79-A111 HydrophobicContact CD1-CB 4.22Å |
| 80 | R | 85.9 | Confident | 81.4 | Confident | 197 Ų | 197 | 56.1 Ų | 56.1 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 121.1 | 178.9 | -171.4 | 179.7 | 176 | 111.9 | -0.6 | 111.4 | K11 T76 Y78 A82 | K11-R80 PolarHBondContact NZ-O 3.15Å; T76-R80 PolarHBondContact O-N 2.94Å; Y78-R80 VanDerWaalsContact C-N 3.26Å; Y78-R80 PolarHBondContact O-N 3.39Å; R80-A82 PolarHBondContact O-N 3.02Å |
| 81 | G | 89.4 | Confident | 83.8 | Confident | 35 Ų | 35 | 47.6 Ų | 47.6 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 8.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y79 M83 | Y79-G81 PolarHBondContact O-N 2.83Å; Y79-G81 VanDerWaalsContact O-N 3.16Å; G81-M83 PolarHBondContact O-N 3.28Å |
| 82 | A | 94.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -64 | 129.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L13 Y79 R80 I85 V115 | L13-A82 HydrophobicContact CB-CB 4.4Å; Y79-A82 WeakPolarHBondContact O-CB 3.06Å; Y79-A82 PolarHBondContact O-N 2.78Å; R80-A82 PolarHBondContact O-N 3.02Å; A82-I85 HydrophobicContact CB-CD1 4.44Å; A82-I85 HydrophobicContact CB-CG1 4.15Å; A82-V115 WeakPolarHBondContact O-CG2 3.47Å | ||
| 83 | M | 96.8 | Very high | 88.3 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 30% | 0.3 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -94.4 | -27.3 | 176.9 | -61 | 177.9 | 75.8 | 0 | 0 | 111 | F10 K11 G81 E116 I170 | F10-M83 HydrophobicContact CB-SD 4.27Å; F10-M83 HydrophobicContact CD1-CE 3.62Å; F10-M83 HydrophobicContact CD1-SD 3.67Å; F10-M83 HydrophobicContact CE1-CE 3.86Å; F10-M83 HydrophobicContact CE1-SD 4.48Å; F10-M83 HydrophobicContact CG-SD 4.32Å; K11-M83 PolarHBondContact O-N 2.99Å; G81-M83 PolarHBondContact O-N 3.28Å; M83-E116 PolarHBondContact O-N 2.82Å; M83-I170 HydrophobicContact CB-CD1 4.13Å; M83-I170 HydrophobicContact CB-CG1 4.49Å; M83-I170 HydrophobicContact CB-CG2 3.92Å; M83-I170 HydrophobicContact CE-CG2 3.59Å; M83-I170 HydrophobicContact SD-CG2 4.48Å |
| 84 | G | 97.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K11 L12 L13 E116 | K11-G84 PolarHBondContact O-N 3.42Å; L12-G84 CarbonylContact C-O 3.45Å; L12-G84 VanDerWaalsContact CA-O 3.28Å; L12-G84 WeakPolarHBondContact CA-O 3.27Å; L13-G84 PolarHBondContact N-O 2.87Å; G84-E116 CarbonylContact C-O 3.56Å; G84-E116 VanDerWaalsContact CA-O 3.25Å; G84-E116 WeakPolarHBondContact CA-O 3.4Å |
| 85 | I | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.4 | 177.1 | -55.2 | 178.3 | 0 | 0 | 0 | 109.2 | L13 I15 Y79 A82 L87 I107 A111 V115 E116 R117 M118 | L13-I85 HydrophobicContact CB-CG1 4.24Å; L13-I85 WeakPolarHBondContact O-CA 3.5Å; I15-I85 HydrophobicContact CD1-CG2 3.88Å; I15-I85 HydrophobicContact CG1-CG2 3.98Å; I15-I85 HydrophobicContact CG2-CG2 4.3Å; Y79-I85 HydrophobicContact CD1-CD1 3.86Å; Y79-I85 HydrophobicContact CE1-CD1 4.25Å; A82-I85 HydrophobicContact CB-CD1 4.44Å; A82-I85 HydrophobicContact CB-CG1 4.15Å; I85-L87 HydrophobicContact CG2-CD1 4.13Å; I85-I107 HydrophobicContact CB-CD1 4.36Å; I85-I107 HydrophobicContact CD1-CD1 4.38Å; I85-I107 HydrophobicContact CD1-CG1 3.96Å; I85-I107 HydrophobicContact CD1-CG2 3.93Å; I85-I107 HydrophobicContact CG2-CD1 3.8Å; I85-I107 HydrophobicContact CG2-CG1 4.26Å; I85-A111 HydrophobicContact CD1-CB 3.88Å; I85-V115 HydrophobicContact CD1-CG1 4.46Å; I85-V115 HydrophobicContact CD1-CG2 3.85Å; I85-V115 HydrophobicContact CG1-CG2 3.7Å; I85-E116 PolarHBondContact N-O 3.22Å; I85-R117 WeakPolarHBondContact O-CA 3.28Å; I85-M118 PolarHBondContact O-N 3.44Å |
| 86 | M | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.7 | 175.7 | -63 | -178.6 | 103.5 | 0 | 0 | 109.1 | L13 L14 I15 M118 L120 A162 F163 L166 | L13-M86 PolarHBondContact O-N 3.27Å; L14-M86 HydrophobicContact CD2-CB 3.65Å; L14-M86 HydrophobicContact CD2-CG 4.38Å; L14-M86 HydrophobicContact CD2-SD 4.02Å; I15-M86 PolarHBondContact N-O 3.43Å; M86-M118 CarbonylContact C-O 3.6Å; M86-M118 WeakPolarHBondContact CA-O 3.33Å; M86-M118 HydrophobicContact CE-SD 3.77Å; M86-L120 HydrophobicContact CB-CD1 4.39Å; M86-L120 HydrophobicContact CE-CD1 3.74Å; M86-L120 HydrophobicContact CE-CD2 4.27Å; M86-L120 HydrophobicContact CE-CG 4.36Å; M86-L120 HydrophobicContact SD-CD1 4.47Å; M86-A162 HydrophobicContact CE-CB 3.67Å; M86-F163 HydrophobicContact CE-CD1 4.32Å; M86-F163 HydrophobicContact CE-CD2 4.43Å; M86-F163 HydrophobicContact CE-CE1 4.46Å; M86-F163 HydrophobicContact CE-CG 4.3Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CE1 3.48Å; M86-F163 WeakPolarHBondContact SD-CE1 3.38Å; M86-F163 HydrophobicContact SD-CE2 4.4Å; M86-F163 HydrophobicContact SD-CG 4.26Å; M86-F163 HydrophobicContact SD-CZ 3.86Å; M86-L166 HydrophobicContact CG-CD2 3.39Å; M86-L166 HydrophobicContact SD-CD2 4.06Å |
| 87 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.8 | 174.3 | -66.4 | 76.7 | 0 | 0 | 0 | 109.3 | I15 I85 I100 W103 L104 I107 M118 L119 L120 | I15-L87 HydrophobicContact CD1-CD1 4.48Å; I15-L87 HydrophobicContact CD1-CD2 4.47Å; I15-L87 HydrophobicContact CD1-CG 3.93Å; I15-L87 HydrophobicContact CG1-CB 4.41Å; I15-L87 HydrophobicContact CG1-CG 3.81Å; I15-L87 WeakPolarHBondContact O-CA 3.29Å; I85-L87 HydrophobicContact CG2-CD1 4.13Å; L87-I100 HydrophobicContact CB-CD1 4.21Å; L87-I100 HydrophobicContact CD2-CG2 4.37Å; L87-W103 HydrophobicContact CD2-CB 3.77Å; L87-L104 HydrophobicContact CD1-CD2 4.48Å; L87-L104 HydrophobicContact CD2-CD2 3.61Å; L87-L104 HydrophobicContact CD2-CG 3.69Å; L87-I107 HydrophobicContact CD1-CD1 3.3Å; L87-I107 HydrophobicContact CD2-CD1 3.9Å; L87-I107 HydrophobicContact CG-CD1 3.83Å; L87-M118 PolarHBondContact N-O 3.44Å; L87-L119 HydrophobicContact CB-CD1 4.06Å; L87-L119 CarbonylContact O-C 3.59Å; L87-L120 PolarHBondContact O-N 2.93Å |
| 88 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | -176.9 | -167.6 | 0 | 0 | 0 | 0 | 110 | L14 I15 G16 V20 K22 L120 N122 | L14-V88 HydrophobicContact CD2-CG2 4.18Å; I15-V88 PolarHBondContact O-N 2.83Å; G16-V88 WeakPolarHBondContact CA-O 3.48Å; V20-V88 HydrophobicContact CB-CG1 4.38Å; V20-V88 HydrophobicContact CG2-CB 3.97Å; V20-V88 HydrophobicContact CG2-CG1 3.95Å; V20-V88 WeakPolarHBondContact CG2-O 3.49Å; K22-V88 HydrophobicContact CG-CB 4Å; K22-V88 HydrophobicContact CG-CG2 4.03Å; V88-L120 WeakPolarHBondContact CA-O 3.5Å; V88-L120 HydrophobicContact CG1-CB 4.38Å; V88-L120 HydrophobicContact CG2-CB 4.29Å; V88-L120 HydrophobicContact CG2-CD1 4.12Å; V88-N122 HydrophobicContact CG1-CB 3.75Å |
| 89 | Y | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 167.8 | 163.6 | 73.2 | -85.6 | 0 | 0 | 0 | 110.4 | I91 F97 I100 L119 L120 G121 N122 V132 F148 | Y89-I91 HydrophobicContact CE2-CG2 3.91Å; Y89-F97 AromaticContact CD1-CD2 3.98Å; Y89-F97 HydrophobicContact CD1-CD2 3.98Å; Y89-F97 HydrophobicContact CD2-CB 3.97Å; Y89-F97 AromaticContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CG 4.35Å; Y89-F97 AromaticContact CE1-CD2 3.87Å; Y89-F97 HydrophobicContact CE1-CD2 3.87Å; Y89-F97 HydrophobicContact CE1-CE2 4.15Å; Y89-F97 HydrophobicContact CE2-CB 4.46Å; Y89-F97 AromaticContact CE2-CD2 3.7Å; Y89-F97 HydrophobicContact CE2-CD2 3.7Å; Y89-F97 HydrophobicContact CE2-CE2 4.43Å; Y89-F97 HydrophobicContact CE2-CG 4.46Å; Y89-F97 HydrophobicContact CG-CB 4.34Å; Y89-F97 AromaticContact CG-CD2 3.94Å; Y89-F97 HydrophobicContact CG-CD2 3.94Å; Y89-F97 AromaticContact CZ-CD2 3.73Å; Y89-I100 HydrophobicContact CD1-CD1 4.37Å; Y89-I100 HydrophobicContact CD1-CG1 4.3Å; Y89-I100 HydrophobicContact CG-CG1 4.5Å; Y89-L119 HydrophobicContact CD1-CD1 3.87Å; Y89-L119 HydrophobicContact CD1-CG 4.29Å; Y89-L119 HydrophobicContact CE1-CD1 4.12Å; Y89-L119 HydrophobicContact CE1-CD2 4.18Å; Y89-L119 HydrophobicContact CE1-CG 4.04Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.47Å; Y89-L120 PolarHBondContact N-O 3.09Å; Y89-G121 VanDerWaalsContact CE1-CA 3.46Å; Y89-G121 VanDerWaalsContact CZ-CA 3.45Å; Y89-N122 PolarHBondContact O-N 3.05Å; Y89-V132 HydrophobicContact CE2-CB 4.06Å; Y89-V132 HydrophobicContact CE2-CG1 3.75Å; Y89-V132 HydrophobicContact CE2-CG2 4.4Å; Y89-F148 AromaticContact CE1-CE2 3.97Å; Y89-F148 HydrophobicContact CE1-CE2 3.97Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.21Å |
| 90 | D | 98.2 | Very high | 96 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.5 | 176.8 | 173.7 | -4.4 | 0 | 0 | 0 | 109.5 | V20 T92 N93 S96 K123 | V20-D90 HydrophobicContact CB-CB 4.23Å; V20-D90 HydrophobicContact CG1-CB 4.22Å; D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.54Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.39Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.39Å; D90-T92 PolarHBondContact OD1-OG1 2.79Å; D90-T92 PolarHBondContact OD2-OG1 2.79Å; D90-N93 HydrophobicContact CB-CB 4.03Å; D90-N93 PolarHBondContact O-N 3.41Å; D90-S96 PolarHBondContact N-OG 2.93Å; D90-S96 PolarHBondContact O-OG 3.31Å; D90-K123 WeakPolarHBondContact OD1-CD 3.24Å; D90-K123 WeakPolarHBondContact OD2-CD 3.48Å; D90-K123 WeakPolarHBondContact OD2-CE 3.33Å; D90-K123 IonicContact OD2-NZ 2.86Å; D90-K123 PolarHBondContact OD2-NZ 2.83Å |
| 91 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.8 | -178.2 | 66.5 | 150.9 | 0 | 0 | 0 | 113.5 | Y89 N122 K123 C124 R130 V131 V132 | Y89-I91 HydrophobicContact CE2-CG2 3.91Å; I91-N122 WeakPolarHBondContact CG1-O 3.38Å; I91-N122 PolarHBondContact N-O 2.92Å; I91-N122 VanDerWaalsContact N-O 3.09Å; I91-K123 WeakPolarHBondContact CD1-O 3.44Å; I91-K123 WeakPolarHBondContact CG1-O 3.44Å; I91-C124 HydrophobicContact CD1-CB 4.44Å; I91-R130 HydrophobicContact CD1-CB 4.25Å; I91-R130 HydrophobicContact CD1-CG 4.27Å; I91-R130 VanDerWaalsContact CD1-CZ 3.44Å; I91-V131 PolarHBondContact O-N 3.14Å; I91-V132 PolarHBondContact O-N 3.45Å |
| 92 | T | 98.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.1 | 177.8 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | D90 M126 K129 V131 | D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.54Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.39Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.39Å; D90-T92 PolarHBondContact OD1-OG1 2.79Å; D90-T92 PolarHBondContact OD2-OG1 2.79Å; T92-M126 HydrophobicContact CG2-CB 3.74Å; T92-M126 HydrophobicContact CG2-CE 4.33Å; T92-M126 HydrophobicContact CG2-SD 4.44Å; T92-K129 WeakPolarHBondContact CA-O 3.45Å; T92-K129 WeakPolarHBondContact CB-O 3.28Å; T92-K129 HydrophobicContact CG2-CB 3.87Å; T92-V131 WeakPolarHBondContact O-CG2 3.39Å |
| 93 | N | 97.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 36 Ų | 36 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | trans | -131.7 | 100.4 | -179.2 | -176.6 | -17.8 | 0 | 0 | 0 | 111.7 | D90 K95 S96 | D90-N93 HydrophobicContact CB-CB 4.03Å; D90-N93 PolarHBondContact O-N 3.41Å; N93-K95 VanDerWaalsContact C-N 3.32Å; N93-K95 PolarHBondContact O-N 3.04Å; N93-K95 WeakPolarHBondContact OD1-CB 3.4Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.13Å; N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 2.93Å; N93-S96 PolarHBondContact OD1-N 3.41Å | ||
| 94 | A | 97.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 35% | 0.347 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.7 | -38.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | S96 F97 E98 V131 | A94-S96 VanDerWaalsContact C-N 3.28Å; A94-S96 PolarHBondContact O-N 3.11Å; A94-F97 WeakPolarHBondContact O-CB 3.48Å; A94-F97 PolarHBondContact O-N 2.89Å; A94-E98 WeakPolarHBondContact O-CG 3.35Å; A94-E98 PolarHBondContact O-N 3.35Å; A94-V131 HydrophobicContact CB-CG2 4.01Å |
| 95 | K | 96.1 | Very high | 96 | Very high | 136 Ų | 136 | 40.9 Ų | 40.9 | 59% | 0.591 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.7 | -37.9 | 179.2 | -175.3 | 176.2 | -179.4 | 178.1 | 0 | 111.9 | N93 F97 E98 N99 | N93-K95 VanDerWaalsContact C-N 3.32Å; N93-K95 PolarHBondContact O-N 3.04Å; N93-K95 WeakPolarHBondContact OD1-CB 3.4Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.13Å; K95-F97 PolarHBondContact O-N 3.36Å; K95-E98 PolarHBondContact O-N 2.89Å; K95-N99 PolarHBondContact O-N 3.35Å; K95-N99 VanDerWaalsContact O-N 3.11Å; K95-N99 PolarHBondContact O-ND2 3.41Å |
| 96 | S | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -31 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 112.6 | D90 N93 A94 | D90-S96 PolarHBondContact N-OG 2.93Å; D90-S96 PolarHBondContact O-OG 3.31Å; N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 2.93Å; N93-S96 PolarHBondContact OD1-N 3.41Å; A94-S96 VanDerWaalsContact C-N 3.28Å; A94-S96 PolarHBondContact O-N 3.11Å |
| 97 | F | 97.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.4 | -42.1 | 175.5 | -178.4 | -99.9 | 0 | 0 | 0 | 112.2 | Y89 A94 K95 N99 I100 V132 K136 I140 | Y89-F97 AromaticContact CD1-CD2 3.98Å; Y89-F97 HydrophobicContact CD1-CD2 3.98Å; Y89-F97 HydrophobicContact CD2-CB 3.97Å; Y89-F97 AromaticContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CG 4.35Å; Y89-F97 AromaticContact CE1-CD2 3.87Å; Y89-F97 HydrophobicContact CE1-CD2 3.87Å; Y89-F97 HydrophobicContact CE1-CE2 4.15Å; Y89-F97 HydrophobicContact CE2-CB 4.46Å; Y89-F97 AromaticContact CE2-CD2 3.7Å; Y89-F97 HydrophobicContact CE2-CD2 3.7Å; Y89-F97 HydrophobicContact CE2-CE2 4.43Å; Y89-F97 HydrophobicContact CE2-CG 4.46Å; Y89-F97 HydrophobicContact CG-CB 4.34Å; Y89-F97 AromaticContact CG-CD2 3.94Å; Y89-F97 HydrophobicContact CG-CD2 3.94Å; Y89-F97 AromaticContact CZ-CD2 3.73Å; A94-F97 WeakPolarHBondContact O-CB 3.48Å; A94-F97 PolarHBondContact O-N 2.89Å; K95-F97 PolarHBondContact O-N 3.36Å; F97-N99 PolarHBondContact O-N 2.85Å; F97-I100 VanDerWaalsContact O-CB 3.24Å; F97-I100 WeakPolarHBondContact O-CB 3.21Å; F97-I100 WeakPolarHBondContact O-CG1 3.33Å; F97-I100 PolarHBondContact O-N 2.91Å; F97-V132 HydrophobicContact CB-CG1 4.21Å; F97-V132 HydrophobicContact CB-CG2 3.83Å; F97-V132 HydrophobicContact CD1-CG1 4.1Å; F97-V132 HydrophobicContact CD2-CG1 3.75Å; F97-V132 HydrophobicContact CE1-CG1 4.43Å; F97-V132 HydrophobicContact CE2-CG1 4.1Å; F97-V132 HydrophobicContact CG-CG1 3.74Å; F97-V132 HydrophobicContact CG-CG2 4.25Å; F97-V132 HydrophobicContact CZ-CG1 4.42Å; F97-K136 HydrophobicContact CE1-CB 3.92Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.4Å; F97-K136 HydrophobicContact CZ-CB 3.6Å; F97-I140 HydrophobicContact CE1-CD1 3.78Å; F97-I140 HydrophobicContact CE2-CD1 3.79Å; F97-I140 HydrophobicContact CZ-CD1 3.24Å; F97-I140 HydrophobicContact CZ-CG1 3.93Å |
| 98 | E | 95.8 | Very high | 95.2 | Very high | 128 Ų | 128 | 46.7 Ų | 46.7 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -56.6 | -38.9 | 175.4 | -70.3 | 166.5 | -171.6 | 0 | 0 | 111.9 | A94 K95 I100 S101 | A94-E98 WeakPolarHBondContact O-CG 3.35Å; A94-E98 PolarHBondContact O-N 3.35Å; K95-E98 PolarHBondContact O-N 2.89Å; E98-I100 PolarHBondContact O-N 3.31Å; E98-S101 PolarHBondContact O-OG 3.29Å |
| 99 | N | 94.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.3 | 178.1 | -74.5 | -26 | 0 | 0 | 0 | 114.4 | D17 K95 F97 S101 K102 W103 | D17-N99 PolarHBondContact OD2-ND2 2.93Å; K95-N99 PolarHBondContact O-N 3.35Å; K95-N99 VanDerWaalsContact O-N 3.11Å; K95-N99 PolarHBondContact O-ND2 3.41Å; F97-N99 PolarHBondContact O-N 2.85Å; N99-S101 PolarHBondContact O-N 3.44Å; N99-K102 WeakPolarHBondContact O-CB 3.28Å; N99-K102 PolarHBondContact O-N 2.79Å; N99-K102 VanDerWaalsContact O-N 3.11Å; N99-W103 PolarHBondContact O-N 3.48Å |
| 100 | I | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -38 | 176.8 | -69.5 | -61.8 | 0 | 0 | 0 | 111.6 | L87 Y89 F97 E98 K102 W103 L104 L119 I140 | L87-I100 HydrophobicContact CB-CD1 4.21Å; L87-I100 HydrophobicContact CD2-CG2 4.37Å; Y89-I100 HydrophobicContact CD1-CD1 4.37Å; Y89-I100 HydrophobicContact CD1-CG1 4.3Å; Y89-I100 HydrophobicContact CG-CG1 4.5Å; F97-I100 VanDerWaalsContact O-CB 3.24Å; F97-I100 WeakPolarHBondContact O-CB 3.21Å; F97-I100 WeakPolarHBondContact O-CG1 3.33Å; F97-I100 PolarHBondContact O-N 2.91Å; E98-I100 PolarHBondContact O-N 3.31Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.13Å; I100-W103 PolarHBondContact O-N 3.3Å; I100-W103 VanDerWaalsContact O-N 3.12Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.16Å; I100-L104 WeakPolarHBondContact O-CG 3.47Å; I100-L104 PolarHBondContact O-N 3.02Å; I100-L119 HydrophobicContact CD1-CD1 3.79Å; I100-L119 HydrophobicContact CG1-CD1 4.13Å; I100-L119 HydrophobicContact CG2-CD1 3.96Å; I100-I140 HydrophobicContact CG2-CG2 4.24Å |
| 101 | S | 92.5 | Very high | 94.2 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.4 | -43.8 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | E98 N99 L104 R105 | E98-S101 PolarHBondContact O-OG 3.29Å; N99-S101 PolarHBondContact O-N 3.44Å; S101-L104 PolarHBondContact O-N 3.17Å; S101-R105 PolarHBondContact O-N 2.94Å |
| 102 | K | 92.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175 | -179.4 | -178.1 | 175.6 | -178.8 | 0 | 111.6 | N99 I100 R105 N106 | N99-K102 WeakPolarHBondContact O-CB 3.28Å; N99-K102 PolarHBondContact O-N 2.79Å; N99-K102 VanDerWaalsContact O-N 3.11Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.13Å; K102-R105 PolarHBondContact O-N 3.02Å; K102-N106 VanDerWaalsContact O-CG 3.3Å; K102-N106 PolarHBondContact O-N 3.43Å; K102-N106 PolarHBondContact O-OD1 3.06Å |
| 103 | W | 92.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.5 | -72.8 | 116 | 0 | 0 | 0 | 112.5 | I15 D17 I74 L87 N99 I100 N106 I107 | I15-W103 HydrophobicContact CB-CE3 4.23Å; I15-W103 HydrophobicContact CB-CZ3 4.38Å; I15-W103 HydrophobicContact CD1-CB 4.21Å; I15-W103 HydrophobicContact CD1-CD2 4.41Å; I15-W103 HydrophobicContact CD1-CE3 3.86Å; I15-W103 HydrophobicContact CG1-CE3 4.29Å; D17-W103 PolarHBondContact OD1-NE1 3.37Å; I74-W103 HydrophobicContact CD1-CE3 4.41Å; I74-W103 HydrophobicContact CD1-CH2 3.91Å; I74-W103 HydrophobicContact CD1-CZ3 3.45Å; I74-W103 VanDerWaalsContact CD1-CZ3 3.45Å; I74-W103 HydrophobicContact CG1-CH2 4.23Å; I74-W103 HydrophobicContact CG1-CZ3 3.99Å; L87-W103 HydrophobicContact CD2-CB 3.77Å; N99-W103 PolarHBondContact O-N 3.48Å; I100-W103 PolarHBondContact O-N 3.3Å; I100-W103 VanDerWaalsContact O-N 3.12Å; W103-N106 PolarHBondContact O-N 3.21Å; W103-I107 WeakPolarHBondContact O-CG1 3.48Å; W103-I107 PolarHBondContact O-N 2.97Å; W103-I107 VanDerWaalsContact O-N 3.09Å |
| 104 | L | 93.3 | Very high | 93 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.2 | -72.9 | 167.4 | 0 | 0 | 0 | 111.3 | L87 I100 S101 N106 I107 D108 I140 I146 | L87-L104 HydrophobicContact CD1-CD2 4.48Å; L87-L104 HydrophobicContact CD2-CD2 3.61Å; L87-L104 HydrophobicContact CD2-CG 3.69Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.16Å; I100-L104 WeakPolarHBondContact O-CG 3.47Å; I100-L104 PolarHBondContact O-N 3.02Å; S101-L104 PolarHBondContact O-N 3.17Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 2.97Å; L104-I107 WeakPolarHBondContact O-CA 3.15Å; L104-I107 WeakPolarHBondContact O-CB 3.3Å; L104-I107 PolarHBondContact O-N 3.33Å; L104-D108 PolarHBondContact O-N 3.37Å; L104-I140 HydrophobicContact CD1-CG2 4.2Å; L104-I146 HydrophobicContact CD2-CD1 4.13Å |
| 105 | R | 92.1 | Very high | 92.9 | Very high | 162 Ų | 162 | 67 Ų | 67 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.1 | -42.2 | 174.6 | -177.7 | 177.3 | 174 | 166.4 | 3.6 | 112.4 | S101 K102 I107 D108 E109 | S101-R105 PolarHBondContact O-N 2.94Å; K102-R105 PolarHBondContact O-N 3.02Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.68Å; R105-D108 PolarHBondContact O-N 2.94Å; R105-E109 HydrophobicContact CG-CG 4.44Å; R105-E109 WeakPolarHBondContact CG-OE1 3.39Å; R105-E109 IonicContact CZ-OE1 2.79Å; R105-E109 IonicContact NE-OE1 2.68Å; R105-E109 PolarHBondContact NE-OE1 3.03Å; R105-E109 IonicContact NH2-OE1 3.48Å; R105-E109 PolarHBondContact NH2-OE1 3.03Å; R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.14Å |
| 106 | N | 90.2 | Very high | 93 | Very high | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 176.7 | -70.8 | -12.8 | 0 | 0 | 0 | 112.5 | K102 W103 L104 H110 | K102-N106 VanDerWaalsContact O-CG 3.3Å; K102-N106 PolarHBondContact O-N 3.43Å; K102-N106 PolarHBondContact O-OD1 3.06Å; W103-N106 PolarHBondContact O-N 3.21Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 2.97Å; N106-H110 WeakPolarHBondContact O-CB 3.41Å; N106-H110 PolarHBondContact O-N 2.69Å; N106-H110 PolarHBondContact O-ND1 3.02Å |
| 107 | I | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 173.9 | -67.4 | 166.2 | 0 | 0 | 0 | 109.8 | I15 Y79 I85 L87 W103 L104 R105 E109 H110 A111 V115 R117 | I15-I107 HydrophobicContact CD1-CD1 3.68Å; I15-I107 HydrophobicContact CD1-CG1 3.79Å; Y79-I107 HydrophobicContact CE1-CG1 3.88Å; I85-I107 HydrophobicContact CB-CD1 4.36Å; I85-I107 HydrophobicContact CD1-CD1 4.38Å; I85-I107 HydrophobicContact CD1-CG1 3.96Å; I85-I107 HydrophobicContact CD1-CG2 3.93Å; I85-I107 HydrophobicContact CG2-CD1 3.8Å; I85-I107 HydrophobicContact CG2-CG1 4.26Å; L87-I107 HydrophobicContact CD1-CD1 3.3Å; L87-I107 HydrophobicContact CD2-CD1 3.9Å; L87-I107 HydrophobicContact CG-CD1 3.83Å; W103-I107 WeakPolarHBondContact O-CG1 3.48Å; W103-I107 PolarHBondContact O-N 2.97Å; W103-I107 VanDerWaalsContact O-N 3.09Å; L104-I107 WeakPolarHBondContact O-CA 3.15Å; L104-I107 WeakPolarHBondContact O-CB 3.3Å; L104-I107 PolarHBondContact O-N 3.33Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.68Å; I107-E109 PolarHBondContact O-N 3.05Å; I107-H110 PolarHBondContact O-N 3.01Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 VanDerWaalsContact O-CB 3.24Å; I107-A111 WeakPolarHBondContact O-CB 3.43Å; I107-A111 PolarHBondContact O-N 2.75Å; I107-V115 HydrophobicContact CG2-CG1 4.05Å; I107-R117 HydrophobicContact CG2-CG 4.39Å |
| 108 | D | 92.4 | Very high | 93 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 179.4 | -66.9 | -36.5 | 0 | 0 | 0 | 112.3 | L104 R105 R117 | L104-D108 PolarHBondContact O-N 3.37Å; R105-D108 PolarHBondContact O-N 2.94Å; D108-R117 IonicContact OD1-CZ 3.37Å; D108-R117 IonicContact OD1-NH1 2.73Å; D108-R117 PolarHBondContact OD1-NH1 3.27Å; D108-R117 IonicContact OD1-NH2 2.79Å; D108-R117 PolarHBondContact OD1-NH2 2.77Å |
| 109 | E | 91.5 | Very high | 93.1 | Very high | 100 Ų | 100 | 57.1 Ų | 57.1 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79 | -27.5 | -179.4 | -72.9 | 174.3 | -178.2 | 0 | 0 | 114.2 | R105 I107 | R105-E109 HydrophobicContact CG-CG 4.44Å; R105-E109 WeakPolarHBondContact CG-OE1 3.39Å; R105-E109 IonicContact CZ-OE1 2.79Å; R105-E109 IonicContact NE-OE1 2.68Å; R105-E109 PolarHBondContact NE-OE1 3.03Å; R105-E109 IonicContact NH2-OE1 3.48Å; R105-E109 PolarHBondContact NH2-OE1 3.03Å; R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.14Å; I107-E109 PolarHBondContact O-N 3.05Å |
| 110 | H | 90.4 | Very high | 93.3 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -128.5 | -18.3 | -165.6 | -54.2 | 100.4 | 0 | 0 | 0 | 116 | T76 Y79 N106 I107 | T76-H110 WeakPolarHBondContact CG2-CD2 3.45Å; Y79-H110 WeakPolarHBondContact CB-O 3.41Å; Y79-H110 HydrophobicContact CD2-CB 3.94Å; Y79-H110 HydrophobicContact CG-CB 3.89Å; N106-H110 WeakPolarHBondContact O-CB 3.41Å; N106-H110 PolarHBondContact O-N 2.69Å; N106-H110 PolarHBondContact O-ND1 3.02Å; I107-H110 PolarHBondContact O-N 3.01Å |
| 111 | A | 91.6 | Very high | 93.5 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.3 | 167 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y79 I85 I107 V115 | Y79-A111 HydrophobicContact CD1-CB 4.22Å; I85-A111 HydrophobicContact CD1-CB 3.88Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 VanDerWaalsContact O-CB 3.24Å; I107-A111 WeakPolarHBondContact O-CB 3.43Å; I107-A111 PolarHBondContact O-N 2.75Å; A111-V115 HydrophobicContact CB-CB 4.32Å; A111-V115 HydrophobicContact CB-CG1 3.81Å |
| 112 | N | 91.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | trans | -68.6 | 149.9 | 171.9 | -62.1 | -6.9 | 0 | 0 | 0 | 110.4 | D114 V115 | N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3Å; N112-V115 VanDerWaalsContact O-CB 3.3Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.45Å; N112-V115 PolarHBondContact O-N 2.75Å; N112-V115 VanDerWaalsContact O-N 3.15Å | ||
| 113 | E | 88.1 | Confident | 94.1 | Very high | 198 Ų | 198 | 49 Ų | 49 | 93% | 0.925 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.1 | 179.1 | -66.1 | -179.4 | 179.8 | 0 | 0 | 113.2 | V115 | E113-V115 VanDerWaalsContact C-N 3.32Š|
| 114 | D | 90.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 48.3 Ų | 48.3 | 58% | 0.578 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3 | -177.9 | 66.2 | -25.4 | 0 | 0 | 0 | 114.1 | N112 E116 | N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3Å; D114-E116 PolarHBondContact O-N 2.96Å |
| 115 | V | 95.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -59 | 130.7 | -176.3 | 75 | 0 | 0 | 0 | 0 | 111.6 | A82 I85 I107 A111 N112 E113 R117 | A82-V115 WeakPolarHBondContact O-CG2 3.47Å; I85-V115 HydrophobicContact CD1-CG1 4.46Å; I85-V115 HydrophobicContact CD1-CG2 3.85Å; I85-V115 HydrophobicContact CG1-CG2 3.7Å; I107-V115 HydrophobicContact CG2-CG1 4.05Å; A111-V115 HydrophobicContact CB-CB 4.32Å; A111-V115 HydrophobicContact CB-CG1 3.81Å; N112-V115 VanDerWaalsContact O-CB 3.3Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.45Å; N112-V115 PolarHBondContact O-N 2.75Å; N112-V115 VanDerWaalsContact O-N 3.15Å; E113-V115 VanDerWaalsContact C-N 3.32Å; V115-R117 HydrophobicContact CG1-CG 4.18Å | ||
| 116 | E | 97.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 143.2 | 173 | -71.3 | -64.8 | 174.3 | 0 | 0 | 111.5 | M83 G84 I85 D114 L166 D169 I170 K173 | M83-E116 PolarHBondContact O-N 2.82Å; G84-E116 CarbonylContact C-O 3.56Å; G84-E116 VanDerWaalsContact CA-O 3.25Å; G84-E116 WeakPolarHBondContact CA-O 3.4Å; I85-E116 PolarHBondContact N-O 3.22Å; D114-E116 PolarHBondContact O-N 2.96Å; E116-L166 HydrophobicContact CB-CD1 3.53Å; E116-D169 HydrophobicContact CG-CB 4.1Å; E116-I170 HydrophobicContact CB-CG1 3.78Å; E116-I170 HydrophobicContact CG-CB 4.47Å; E116-I170 HydrophobicContact CG-CG1 3.66Å; E116-K173 HydrophobicContact CG-CD 4.43Å; E116-K173 WeakPolarHBondContact OE1-CD 3.37Å; E116-K173 WeakPolarHBondContact OE1-CE 3.2Å; E116-K173 IonicContact OE1-NZ 2.75Å; E116-K173 PolarHBondContact OE1-NZ 2.96Å; E116-K173 IonicContact OE2-NZ 3.51Å; E116-K173 PolarHBondContact OE2-NZ 3.4Å |
| 117 | R | 96.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 18% | 0.181 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.6 | -172.7 | -57.5 | 171.2 | -164.8 | -173.1 | -6.3 | 110.6 | I85 I107 D108 V115 I146 | I85-R117 WeakPolarHBondContact O-CA 3.28Å; I107-R117 HydrophobicContact CG2-CG 4.39Å; D108-R117 IonicContact OD1-CZ 3.37Å; D108-R117 IonicContact OD1-NH1 2.73Å; D108-R117 PolarHBondContact OD1-NH1 3.27Å; D108-R117 IonicContact OD1-NH2 2.79Å; D108-R117 PolarHBondContact OD1-NH2 2.77Å; V115-R117 HydrophobicContact CG1-CG 4.18Å; R117-I146 HydrophobicContact CB-CB 4.27Å; R117-I146 HydrophobicContact CB-CG2 3.58Å |
| 118 | M | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 135.9 | 176.7 | -176.5 | 175.9 | -70.8 | 0 | 0 | 110.9 | I85 M86 L87 L120 R147 F149 A162 T165 L166 | I85-M118 PolarHBondContact O-N 3.44Å; M86-M118 CarbonylContact C-O 3.6Å; M86-M118 WeakPolarHBondContact CA-O 3.33Å; M86-M118 HydrophobicContact CE-SD 3.77Å; L87-M118 PolarHBondContact N-O 3.44Å; M118-L120 HydrophobicContact CG-CD2 4.02Å; M118-L120 HydrophobicContact SD-CD2 3.94Å; M118-R147 HydrophobicContact CE-CB 3.96Å; M118-R147 HydrophobicContact CG-CB 4.22Å; M118-F149 HydrophobicContact CE-CD2 4.17Å; M118-F149 HydrophobicContact CE-CE2 3.87Å; M118-F149 HydrophobicContact SD-CD2 3.73Å; M118-F149 HydrophobicContact SD-CE2 4.05Å; M118-A162 WeakPolarHBondContact CE-O 3.19Å; M118-A162 HydrophobicContact SD-CB 3.91Å; M118-T165 HydrophobicContact CE-CG2 4Å; M118-L166 HydrophobicContact CB-CD1 4.39Å; M118-L166 HydrophobicContact CE-CB 3.83Å; M118-L166 HydrophobicContact SD-CB 4.47Å |
| 119 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.8 | 173.5 | -176 | 65.6 | 0 | 0 | 0 | 110.5 | L87 Y89 I100 I140 I146 R147 F148 F149 | L87-L119 HydrophobicContact CB-CD1 4.06Å; L87-L119 CarbonylContact O-C 3.59Å; Y89-L119 HydrophobicContact CD1-CD1 3.87Å; Y89-L119 HydrophobicContact CD1-CG 4.29Å; Y89-L119 HydrophobicContact CE1-CD1 4.12Å; Y89-L119 HydrophobicContact CE1-CD2 4.18Å; Y89-L119 HydrophobicContact CE1-CG 4.04Å; I100-L119 HydrophobicContact CD1-CD1 3.79Å; I100-L119 HydrophobicContact CG1-CD1 4.13Å; I100-L119 HydrophobicContact CG2-CD1 3.96Å; L119-I140 HydrophobicContact CD2-CB 4.42Å; L119-I140 HydrophobicContact CD2-CG2 4.1Å; L119-I146 HydrophobicContact CB-CD1 3.94Å; L119-R147 PolarHBondContact N-O 2.81Å; L119-F148 HydrophobicContact CB-CD2 4.05Å; L119-F148 HydrophobicContact CD2-CD2 3.87Å; L119-F148 HydrophobicContact CD2-CE2 4.33Å; L119-F148 HydrophobicContact CG-CD2 3.86Å; L119-F148 HydrophobicContact CG-CE2 4.35Å; L119-F148 VanDerWaalsContact O-CA 3.31Å; L119-F148 WeakPolarHBondContact O-CA 3.46Å; L119-F148 WeakPolarHBondContact O-CD2 3.4Å; L119-F149 PolarHBondContact O-N 2.98Å; L119-F149 VanDerWaalsContact O-N 3.07Å |
| 120 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.4 | 177.1 | -57.9 | -174.7 | 0 | 0 | 0 | 111 | V25 M86 L87 V88 Y89 M118 F149 T151 A162 | V25-L120 HydrophobicContact CG1-CD1 4.44Å; M86-L120 HydrophobicContact CB-CD1 4.39Å; M86-L120 HydrophobicContact CE-CD1 3.74Å; M86-L120 HydrophobicContact CE-CD2 4.27Å; M86-L120 HydrophobicContact CE-CG 4.36Å; M86-L120 HydrophobicContact SD-CD1 4.47Å; L87-L120 PolarHBondContact O-N 2.93Å; V88-L120 WeakPolarHBondContact CA-O 3.5Å; V88-L120 HydrophobicContact CG1-CB 4.38Å; V88-L120 HydrophobicContact CG2-CB 4.29Å; V88-L120 HydrophobicContact CG2-CD1 4.12Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.47Å; Y89-L120 PolarHBondContact N-O 3.09Å; M118-L120 HydrophobicContact CG-CD2 4.02Å; M118-L120 HydrophobicContact SD-CD2 3.94Å; L120-F149 CarbonylContact C-O 3.6Å; L120-F149 VanDerWaalsContact CA-O 3.31Å; L120-F149 WeakPolarHBondContact CA-O 3.49Å; L120-F149 HydrophobicContact CD2-CB 3.99Å; L120-T151 HydrophobicContact CD2-CG2 3.99Å; L120-A162 HydrophobicContact CD2-CB 3.83Å |
| 121 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 93.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y89 F149 E150 T151 | Y89-G121 VanDerWaalsContact CE1-CA 3.46Å; Y89-G121 VanDerWaalsContact CZ-CA 3.45Å; G121-F149 PolarHBondContact N-O 3.31Å; G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.23Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; G121-T151 PolarHBondContact O-N 2.67Å |
| 122 | N | 98.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 164.5 | -175.4 | -170.8 | 34.7 | 0 | 0 | 0 | 112.3 | V20 V88 Y89 I91 T151 A153 | V20-N122 PolarHBondContact O-ND2 3.31Å; V88-N122 HydrophobicContact CG1-CB 3.75Å; Y89-N122 PolarHBondContact O-N 3.05Å; I91-N122 WeakPolarHBondContact CG1-O 3.38Å; I91-N122 PolarHBondContact N-O 2.92Å; I91-N122 VanDerWaalsContact N-O 3.09Å; N122-T151 CarbonylContact C-O 3.58Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.22Å; N122-T151 PolarHBondContact OD1-O 2.88Å; N122-T151 PolarHBondContact OD1-OG1 2.89Å; N122-A153 PolarHBondContact OD1-N 3.34Å |
| 123 | K | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | trans | 68.5 | 33.3 | -177.6 | -46 | -170.1 | -165.8 | 167.7 | 0 | 113.7 | G19 D90 I91 D125 M126 T151 | G19-K123 WeakPolarHBondContact O-CE 3.39Å; G19-K123 PolarHBondContact O-NZ 3.09Å; D90-K123 WeakPolarHBondContact OD1-CD 3.24Å; D90-K123 WeakPolarHBondContact OD2-CD 3.48Å; D90-K123 WeakPolarHBondContact OD2-CE 3.33Å; D90-K123 IonicContact OD2-NZ 2.86Å; D90-K123 PolarHBondContact OD2-NZ 2.83Å; I91-K123 WeakPolarHBondContact CD1-O 3.44Å; I91-K123 WeakPolarHBondContact CG1-O 3.44Å; K123-D125 WeakPolarHBondContact CA-OD1 3.33Å; K123-D125 PolarHBondContact O-N 2.96Å; K123-D125 VanDerWaalsContact O-N 3.09Å; K123-M126 HydrophobicContact CB-CG 4.36Å; K123-M126 HydrophobicContact CB-SD 4.08Å; K123-M126 HydrophobicContact CD-SD 4.02Å; K123-M126 WeakPolarHBondContact O-CB 3.33Å; K123-M126 PolarHBondContact O-N 2.86Å; K123-T151 PolarHBondContact N-O 3.29Å | ||
| 124 | C | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.4 | 177.4 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | I91 M126 E150 T151 | I91-C124 HydrophobicContact CD1-CB 4.44Å; C124-M126 PolarHBondContact O-N 2.96Å; C124-E150 HydrophobicContact CB-CB 3.92Å; C124-T151 PolarHBondContact N-O 3.19Å; C124-T151 PolarHBondContact SG-O 2.94Å |
| 125 | D | 97.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.6 | 167.5 | 60.8 | -75 | 0 | 0 | 0 | 113.5 | K123 E127 S152 K154 A155 | K123-D125 WeakPolarHBondContact CA-OD1 3.33Å; K123-D125 PolarHBondContact O-N 2.96Å; K123-D125 VanDerWaalsContact O-N 3.09Å; D125-E127 PolarHBondContact O-N 3.01Å; D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 2.87Å; D125-S152 PolarHBondContact OD1-OG 2.69Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 3.53Å; D125-A155 HydrophobicContact CB-CB 4.18Å |
| 126 | M | 96.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 28% | 0.281 | 27% | 0.274 | S | S | . | . | trans | -99.5 | 47.6 | -177.3 | -58.4 | -178.3 | 61 | 0 | 0 | 112 | T92 K123 C124 D128 K129 R130 | T92-M126 HydrophobicContact CG2-CB 3.74Å; T92-M126 HydrophobicContact CG2-CE 4.33Å; T92-M126 HydrophobicContact CG2-SD 4.44Å; K123-M126 HydrophobicContact CB-CG 4.36Å; K123-M126 HydrophobicContact CB-SD 4.08Å; K123-M126 HydrophobicContact CD-SD 4.02Å; K123-M126 WeakPolarHBondContact O-CB 3.33Å; K123-M126 PolarHBondContact O-N 2.86Å; C124-M126 PolarHBondContact O-N 2.96Å; M126-D128 VanDerWaalsContact C-N 3.28Å; M126-D128 PolarHBondContact O-N 2.89Å; M126-K129 HydrophobicContact CE-CD 3.64Å; M126-K129 CarbonylContact O-C 3.6Å; M126-K129 PolarHBondContact O-N 3.15Å; M126-R130 PolarHBondContact O-N 3.44Å | ||
| 127 | E | 96.4 | Very high | 97.9 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -56.8 | -39.3 | -174.4 | -166.5 | 60.9 | -147.1 | 0 | 0 | 112.8 | D125 K129 R130 | D125-E127 PolarHBondContact O-N 3.01Å; E127-K129 PolarHBondContact O-N 3.16Å; E127-R130 WeakPolarHBondContact O-CB 3.22Å; E127-R130 PolarHBondContact O-N 2.84Å; E127-R130 WeakPolarHBondContact OE1-CD 3.37Å; E127-R130 IonicContact OE1-CZ 2.84Å; E127-R130 IonicContact OE1-NE 3.71Å; E127-R130 PolarHBondContact OE1-NE 2.89Å; E127-R130 IonicContact OE1-NH2 3.46Å; E127-R130 IonicContact OE2-CZ 3.5Å; E127-R130 VanDerWaalsContact OE2-CZ 3.26Å; E127-R130 IonicContact OE2-NE 3.72Å; E127-R130 PolarHBondContact OE2-NE 2.9Å; E127-R130 IonicContact OE2-NH2 3.91Å; E127-R130 PolarHBondContact OE2-NH2 2.77Å |
| 128 | D | 97.6 | Very high | 98 | Very high | 170 Ų | 170 | 53.8 Ų | 53.8 | 91% | 0.909 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -62 | -17.3 | 177.6 | -57.9 | -39.5 | 0 | 0 | 0 | 113.8 | M126 | M126-D128 VanDerWaalsContact C-N 3.28Å; M126-D128 PolarHBondContact O-N 2.89Å |
| 129 | K | 97.8 | Very high | 98 | Very high | 137 Ų | 137 | 58.4 Ų | 58.4 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -112.2 | 10.3 | 179.4 | -60.9 | -174.8 | -176.4 | 179.9 | 0 | 112.4 | T92 M126 E127 V131 | T92-K129 WeakPolarHBondContact CA-O 3.45Å; T92-K129 WeakPolarHBondContact CB-O 3.28Å; T92-K129 HydrophobicContact CG2-CB 3.87Å; M126-K129 HydrophobicContact CE-CD 3.64Å; M126-K129 CarbonylContact O-C 3.6Å; M126-K129 PolarHBondContact O-N 3.15Å; E127-K129 PolarHBondContact O-N 3.16Å; K129-V131 PolarHBondContact O-N 3.38Å |
| 130 | R | 98.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | trans | -62.3 | 127.3 | -179.6 | 179.8 | -179.7 | -69.3 | -87.8 | 8.5 | 110.4 | I91 M126 E127 V132 E150 | I91-R130 HydrophobicContact CD1-CB 4.25Å; I91-R130 HydrophobicContact CD1-CG 4.27Å; I91-R130 VanDerWaalsContact CD1-CZ 3.44Å; M126-R130 PolarHBondContact O-N 3.44Å; E127-R130 WeakPolarHBondContact O-CB 3.22Å; E127-R130 PolarHBondContact O-N 2.84Å; E127-R130 WeakPolarHBondContact OE1-CD 3.37Å; E127-R130 IonicContact OE1-CZ 2.84Å; E127-R130 IonicContact OE1-NE 3.71Å; E127-R130 PolarHBondContact OE1-NE 2.89Å; E127-R130 IonicContact OE1-NH2 3.46Å; E127-R130 IonicContact OE2-CZ 3.5Å; E127-R130 VanDerWaalsContact OE2-CZ 3.26Å; E127-R130 IonicContact OE2-NE 3.72Å; E127-R130 PolarHBondContact OE2-NE 2.9Å; E127-R130 IonicContact OE2-NH2 3.91Å; E127-R130 PolarHBondContact OE2-NH2 2.77Å; R130-V132 WeakPolarHBondContact CD-O 3.24Å; R130-V132 VanDerWaalsContact CG-O 3.28Å; R130-V132 WeakPolarHBondContact CG-O 3.28Å; R130-V132 PolarHBondContact NH1-O 3.32Å; R130-E150 IonicContact CZ-OE1 3.89Å; R130-E150 IonicContact CZ-OE2 2.69Å; R130-E150 IonicContact NH1-OE1 2.67Å; R130-E150 PolarHBondContact NH1-OE1 3.01Å; R130-E150 IonicContact NH1-OE2 2.77Å; R130-E150 IonicContact NH2-OE1 2.65Å; R130-E150 PolarHBondContact NH2-OE1 2.93Å; R130-E150 IonicContact NH2-OE2 3.97Å; R130-E150 PolarHBondContact NH2-OE2 2.85Å | ||
| 131 | V | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 60 Ų | 60 | 47% | 0.473 | 30% | 0.304 | S | S | . | . | trans | -118.5 | -15.9 | 170.9 | -55 | 0 | 0 | 0 | 0 | 112.2 | I91 T92 A94 K129 | I91-V131 PolarHBondContact O-N 3.14Å; T92-V131 WeakPolarHBondContact O-CG2 3.39Å; A94-V131 HydrophobicContact CB-CG2 4.01Å; K129-V131 PolarHBondContact O-N 3.38Å | ||
| 132 | V | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -108 | 108.9 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | Y89 I91 F97 R130 K136 | Y89-V132 HydrophobicContact CE2-CB 4.06Å; Y89-V132 HydrophobicContact CE2-CG1 3.75Å; Y89-V132 HydrophobicContact CE2-CG2 4.4Å; I91-V132 PolarHBondContact O-N 3.45Å; F97-V132 HydrophobicContact CB-CG1 4.21Å; F97-V132 HydrophobicContact CB-CG2 3.83Å; F97-V132 HydrophobicContact CD1-CG1 4.1Å; F97-V132 HydrophobicContact CD2-CG1 3.75Å; F97-V132 HydrophobicContact CE1-CG1 4.43Å; F97-V132 HydrophobicContact CE2-CG1 4.1Å; F97-V132 HydrophobicContact CG-CG1 3.74Å; F97-V132 HydrophobicContact CG-CG2 4.25Å; F97-V132 HydrophobicContact CZ-CG1 4.42Å; R130-V132 WeakPolarHBondContact CD-O 3.24Å; R130-V132 VanDerWaalsContact CG-O 3.28Å; R130-V132 WeakPolarHBondContact CG-O 3.28Å; R130-V132 PolarHBondContact NH1-O 3.32Å; V132-K136 HydrophobicContact CG1-CB 4.34Å |
| 133 | P | 98.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 41% | 0.409 | 36% | 0.361 | S | S | . | . | trans | -61.6 | 140 | 173.6 | -22.8 | 33.6 | 0 | 0 | 0 | 111.1 | A135 K136 | P133-A135 PolarHBondContact O-N 3.09Å; P133-A135 VanDerWaalsContact O-N 3.14Å; P133-K136 WeakPolarHBondContact O-CB 3.41Å; P133-K136 PolarHBondContact O-N 2.83Å | ||
| 134 | K | 98.1 | Very high | 97.4 | Very high | 100 Ų | 100 | 75.2 Ų | 75.2 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -51.4 | -39.1 | 176.9 | -174.3 | 177.6 | 177.7 | -171 | 0 | 112.9 | K136 G137 E138 F148 E150 | K134-K136 PolarHBondContact O-N 2.77Å; K134-K136 VanDerWaalsContact O-N 3.17Å; K134-G137 PolarHBondContact O-N 2.84Å; K134-E138 VanDerWaalsContact CE-OE1 3.25Å; K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 HydrophobicContact CG-CG 4.38Å; K134-E138 IonicContact NZ-OE1 2.94Å; K134-E138 PolarHBondContact O-N 2.98Å; K134-F148 HydrophobicContact CG-CE1 3.88Å; K134-F148 HydrophobicContact CG-CZ 4.4Å; K134-E150 WeakPolarHBondContact CA-OE1 3.35Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.32Å; K134-E150 HydrophobicContact CG-CG 4.07Å |
| 135 | A | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 77.7 Ų | 77.7 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.6 | -30.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P133 Q139 | P133-A135 PolarHBondContact O-N 3.09Å; P133-A135 VanDerWaalsContact O-N 3.14Å; A135-Q139 VanDerWaalsContact O-CB 3.3Å; A135-Q139 WeakPolarHBondContact O-CB 3.46Å; A135-Q139 PolarHBondContact O-N 2.93Å |
| 136 | K | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 76.3 Ų | 76.3 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 175.4 | -71.3 | -164.7 | 173.9 | -176.4 | 0 | 111.8 | F97 V132 P133 K134 Q139 I140 | F97-K136 HydrophobicContact CE1-CB 3.92Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.4Å; F97-K136 HydrophobicContact CZ-CB 3.6Å; V132-K136 HydrophobicContact CG1-CB 4.34Å; P133-K136 WeakPolarHBondContact O-CB 3.41Å; P133-K136 PolarHBondContact O-N 2.83Å; K134-K136 PolarHBondContact O-N 2.77Å; K134-K136 VanDerWaalsContact O-N 3.17Å; K136-Q139 PolarHBondContact O-N 3.36Å; K136-I140 PolarHBondContact O-N 3.29Å |
| 137 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K134 Q139 A141 | K134-G137 PolarHBondContact O-N 2.84Å; G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 2.98Å; G137-A141 VanDerWaalsContact O-CB 3.28Å; G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 3.33Å |
| 138 | E | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 75.4 Ų | 75.4 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 174.8 | -65.7 | 174.3 | 169.8 | 0 | 0 | 112.5 | K134 R142 F148 | K134-E138 VanDerWaalsContact CE-OE1 3.25Å; K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 HydrophobicContact CG-CG 4.38Å; K134-E138 IonicContact NZ-OE1 2.94Å; K134-E138 PolarHBondContact O-N 2.98Å; E138-R142 WeakPolarHBondContact O-CG 3.5Å; E138-R142 PolarHBondContact O-N 2.97Å; E138-F148 HydrophobicContact CB-CD1 4.4Å; E138-F148 HydrophobicContact CG-CD1 3.6Å; E138-F148 HydrophobicContact CG-CE1 3.71Å |
| 139 | Q | 98.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -53.4 | 177.1 | 178.2 | 177.5 | -6.4 | 0 | 0 | 111.7 | A135 K136 G137 A141 R142 E143 | A135-Q139 VanDerWaalsContact O-CB 3.3Å; A135-Q139 WeakPolarHBondContact O-CB 3.46Å; A135-Q139 PolarHBondContact O-N 2.93Å; K136-Q139 PolarHBondContact O-N 3.36Å; G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 2.98Å; Q139-A141 PolarHBondContact O-N 3.48Å; Q139-R142 PolarHBondContact O-N 3.21Å; Q139-R142 VanDerWaalsContact O-N 3.13Å; Q139-E143 HydrophobicContact CG-CG 4.45Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.46Å; Q139-E143 PolarHBondContact NE2-OE1 2.85Å; Q139-E143 WeakPolarHBondContact O-CG 3.37Å; Q139-E143 PolarHBondContact O-N 3.37Å |
| 140 | I | 95.8 | Very high | 97.4 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -41.9 | 177.2 | -73.9 | -171.6 | 0 | 0 | 0 | 110.6 | F97 I100 L104 L119 K136 R142 E143 H144 | F97-I140 HydrophobicContact CE1-CD1 3.78Å; F97-I140 HydrophobicContact CE2-CD1 3.79Å; F97-I140 HydrophobicContact CZ-CD1 3.24Å; F97-I140 HydrophobicContact CZ-CG1 3.93Å; I100-I140 HydrophobicContact CG2-CG2 4.24Å; L104-I140 HydrophobicContact CD1-CG2 4.2Å; L119-I140 HydrophobicContact CD2-CB 4.42Å; L119-I140 HydrophobicContact CD2-CG2 4.1Å; K136-I140 PolarHBondContact O-N 3.29Å; I140-R142 VanDerWaalsContact C-N 3.34Å; I140-R142 PolarHBondContact O-N 3.02Å; I140-E143 PolarHBondContact O-N 3.33Å; I140-H144 PolarHBondContact O-CD2 3.09Å; I140-H144 PolarHBondContact O-N 3.3Å |
| 141 | A | 96.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G137 Q139 G145 I146 F148 | G137-A141 VanDerWaalsContact O-CB 3.28Å; G137-A141 WeakPolarHBondContact O-CB 3.24Å; G137-A141 PolarHBondContact O-N 3.33Å; Q139-A141 PolarHBondContact O-N 3.48Å; A141-G145 PolarHBondContact O-N 2.89Å; A141-I146 HydrophobicContact CB-CG1 4.17Å; A141-I146 WeakPolarHBondContact CB-O 3.48Å; A141-I146 PolarHBondContact O-N 2.66Å; A141-F148 HydrophobicContact CB-CB 3.53Å; A141-F148 HydrophobicContact CB-CG 4.39Å |
| 142 | R | 97.4 | Very high | 97.3 | Very high | 165 Ų | 165 | 57.2 Ų | 57.2 | 62% | 0.623 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 173.6 | -74.3 | -173 | -60.4 | -93.9 | 0.4 | 112.3 | E138 Q139 I140 H144 G145 | E138-R142 WeakPolarHBondContact O-CG 3.5Å; E138-R142 PolarHBondContact O-N 2.97Å; Q139-R142 PolarHBondContact O-N 3.21Å; Q139-R142 VanDerWaalsContact O-N 3.13Å; I140-R142 VanDerWaalsContact C-N 3.34Å; I140-R142 PolarHBondContact O-N 3.02Å; R142-H144 VanDerWaalsContact C-N 3.27Å; R142-H144 PolarHBondContact O-N 3.31Å; R142-G145 PolarHBondContact O-N 2.96Å |
| 143 | E | 96.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 57.1 Ų | 57.1 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | -179.2 | -73.4 | 169.3 | -176.9 | 0 | 0 | 112.2 | Q139 I140 | Q139-E143 HydrophobicContact CG-CG 4.45Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.46Å; Q139-E143 PolarHBondContact NE2-OE1 2.85Å; Q139-E143 WeakPolarHBondContact O-CG 3.37Å; Q139-E143 PolarHBondContact O-N 3.37Å; I140-E143 PolarHBondContact O-N 3.33Å |
| 144 | H | 94.1 | Very high | 97 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -0.3 | 178.7 | -71.3 | -87.4 | 0 | 0 | 0 | 114.1 | I140 R142 I146 | I140-H144 PolarHBondContact O-CD2 3.09Å; I140-H144 PolarHBondContact O-N 3.3Å; R142-H144 VanDerWaalsContact C-N 3.27Å; R142-H144 PolarHBondContact O-N 3.31Å; H144-I146 VanDerWaalsContact C-N 3.28Å; H144-I146 HydrophobicContact CB-CD1 4.37Å; H144-I146 HydrophobicContact CB-CG1 4.23Å; H144-I146 HydrophobicContact CB-CG2 4.28Å; H144-I146 PolarHBondContact O-N 3.18Å |
| 145 | G | 94.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 30.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A141 R142 | A141-G145 PolarHBondContact O-N 2.89Å; R142-G145 PolarHBondContact O-N 2.96Å |
| 146 | I | 95.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | trans | -109.8 | 159.5 | -178 | 64.6 | 176.4 | 0 | 0 | 0 | 111.3 | L104 R117 L119 A141 H144 | L104-I146 HydrophobicContact CD2-CD1 4.13Å; R117-I146 HydrophobicContact CB-CB 4.27Å; R117-I146 HydrophobicContact CB-CG2 3.58Å; L119-I146 HydrophobicContact CB-CD1 3.94Å; A141-I146 HydrophobicContact CB-CG1 4.17Å; A141-I146 WeakPolarHBondContact CB-O 3.48Å; A141-I146 PolarHBondContact O-N 2.66Å; H144-I146 VanDerWaalsContact C-N 3.28Å; H144-I146 HydrophobicContact CB-CD1 4.37Å; H144-I146 HydrophobicContact CB-CG1 4.23Å; H144-I146 HydrophobicContact CB-CG2 4.28Å; H144-I146 PolarHBondContact O-N 3.18Å | ||
| 147 | R | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 153.7 | 174.9 | -64.2 | -150.5 | -164.5 | -99.8 | 1.8 | 111.9 | M118 L119 T165 D169 | M118-R147 HydrophobicContact CE-CB 3.96Å; M118-R147 HydrophobicContact CG-CB 4.22Å; L119-R147 PolarHBondContact N-O 2.81Å; R147-T165 VanDerWaalsContact CD-CG2 3.47Å; R147-D169 IonicContact CZ-OD1 3.01Å; R147-D169 IonicContact CZ-OD2 3.9Å; R147-D169 IonicContact NE-OD1 3.83Å; R147-D169 IonicContact NE-OD2 2.75Å; R147-D169 PolarHBondContact NE-OD2 3.2Å; R147-D169 IonicContact NH2-OD1 3.57Å; R147-D169 PolarHBondContact NH2-OD1 3.09Å; R147-D169 IonicContact NH2-OD2 2.73Å |
| 148 | F | 98.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.3 | 176.1 | 173.2 | -113.1 | 0 | 0 | 0 | 112.6 | Y89 L119 K134 E138 A141 E150 | Y89-F148 AromaticContact CE1-CE2 3.97Å; Y89-F148 HydrophobicContact CE1-CE2 3.97Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.21Å; L119-F148 HydrophobicContact CB-CD2 4.05Å; L119-F148 HydrophobicContact CD2-CD2 3.87Å; L119-F148 HydrophobicContact CD2-CE2 4.33Å; L119-F148 HydrophobicContact CG-CD2 3.86Å; L119-F148 HydrophobicContact CG-CE2 4.35Å; L119-F148 VanDerWaalsContact O-CA 3.31Å; L119-F148 WeakPolarHBondContact O-CA 3.46Å; L119-F148 WeakPolarHBondContact O-CD2 3.4Å; K134-F148 HydrophobicContact CG-CE1 3.88Å; K134-F148 HydrophobicContact CG-CZ 4.4Å; E138-F148 HydrophobicContact CB-CD1 4.4Å; E138-F148 HydrophobicContact CG-CD1 3.6Å; E138-F148 HydrophobicContact CG-CE1 3.71Å; A141-F148 HydrophobicContact CB-CB 3.53Å; A141-F148 HydrophobicContact CB-CG 4.39Å; F148-E150 HydrophobicContact CE1-CG 4.01Å; F148-E150 HydrophobicContact CE2-CG 4.45Å; F148-E150 HydrophobicContact CZ-CG 3.57Å |
| 149 | F | 98.6 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.8 | 167.1 | -69.8 | -74.6 | 0 | 0 | 0 | 110.4 | M118 L119 L120 G121 T151 K161 A162 T165 | M118-F149 HydrophobicContact CE-CD2 4.17Å; M118-F149 HydrophobicContact CE-CE2 3.87Å; M118-F149 HydrophobicContact SD-CD2 3.73Å; M118-F149 HydrophobicContact SD-CE2 4.05Å; L119-F149 PolarHBondContact O-N 2.98Å; L119-F149 VanDerWaalsContact O-N 3.07Å; L120-F149 CarbonylContact C-O 3.6Å; L120-F149 VanDerWaalsContact CA-O 3.31Å; L120-F149 WeakPolarHBondContact CA-O 3.49Å; L120-F149 HydrophobicContact CD2-CB 3.99Å; G121-F149 PolarHBondContact N-O 3.31Å; F149-T151 HydrophobicContact CB-CG2 4.18Å; F149-K161 HydrophobicContact CE1-CD 3.87Å; F149-K161 HydrophobicContact CE1-CG 4.19Å; F149-K161 HydrophobicContact CZ-CD 4.31Å; F149-K161 HydrophobicContact CZ-CG 4.17Å; F149-A162 HydrophobicContact CD2-CB 4.06Å; F149-T165 HydrophobicContact CE2-CG2 4.2Å; F149-T165 HydrophobicContact CZ-CG2 4.4Å |
| 150 | E | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 57 Ų | 57 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.6 | 156.9 | -69.2 | -161.5 | 153.5 | 0 | 0 | 109.4 | G121 C124 R130 K134 F148 N158 | G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.23Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; C124-E150 HydrophobicContact CB-CB 3.92Å; R130-E150 IonicContact CZ-OE1 3.89Å; R130-E150 IonicContact CZ-OE2 2.69Å; R130-E150 IonicContact NH1-OE1 2.67Å; R130-E150 PolarHBondContact NH1-OE1 3.01Å; R130-E150 IonicContact NH1-OE2 2.77Å; R130-E150 IonicContact NH2-OE1 2.65Å; R130-E150 PolarHBondContact NH2-OE1 2.93Å; R130-E150 IonicContact NH2-OE2 3.97Å; R130-E150 PolarHBondContact NH2-OE2 2.85Å; K134-E150 WeakPolarHBondContact CA-OE1 3.35Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.32Å; K134-E150 HydrophobicContact CG-CG 4.07Å; F148-E150 HydrophobicContact CE1-CG 4.01Å; F148-E150 HydrophobicContact CE2-CG 4.45Å; F148-E150 HydrophobicContact CZ-CG 3.57Å; E150-N158 WeakPolarHBondContact O-CB 3.39Å; E150-N158 PolarHBondContact O-ND2 2.93Å |
| 151 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.8 | -175 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | L120 G121 N122 K123 C124 F149 I157 N158 I159 A162 | L120-T151 HydrophobicContact CD2-CG2 3.99Å; G121-T151 PolarHBondContact O-N 2.67Å; N122-T151 CarbonylContact C-O 3.58Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.22Å; N122-T151 PolarHBondContact OD1-O 2.88Å; N122-T151 PolarHBondContact OD1-OG1 2.89Å; K123-T151 PolarHBondContact N-O 3.29Å; C124-T151 PolarHBondContact N-O 3.19Å; C124-T151 PolarHBondContact SG-O 2.94Å; F149-T151 HydrophobicContact CB-CG2 4.18Å; T151-I157 VanDerWaalsContact CA-O 3.27Å; T151-I157 WeakPolarHBondContact CA-O 3.46Å; T151-N158 HydrophobicContact CG2-CB 4.04Å; T151-I159 HydrophobicContact CG2-CD1 4.45Å; T151-A162 HydrophobicContact CG2-CB 4.49Å |
| 152 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 111.3 | 166.2 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | D125 K154 A155 N156 I157 | D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 2.87Å; D125-S152 PolarHBondContact OD1-OG 2.69Å; S152-K154 PolarHBondContact O-N 2.78Å; S152-K154 PolarHBondContact OG-N 3.45Å; S152-A155 WeakPolarHBondContact OG-CB 3.24Å; S152-A155 PolarHBondContact OG-N 2.89Å; S152-N156 CarbonylContact O-C 3.56Å; S152-N156 WeakPolarHBondContact O-CA 3.39Å; S152-N156 PolarHBondContact O-N 2.55Å; S152-I157 PolarHBondContact N-O 2.88Å; S152-I157 PolarHBondContact O-N 2.89Å |
| 153 | A | 95.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C24 V25 R28 F34 N122 I159 | C24-A153 HydrophobicContact CB-CB 3.63Å; V25-A153 HydrophobicContact CG2-CB 4.12Å; R28-A153 HydrophobicContact CB-CB 4.39Å; R28-A153 PolarHBondContact NE-O 3.29Å; F34-A153 HydrophobicContact CD2-CB 4.06Å; F34-A153 WeakPolarHBondContact CD2-O 3.15Å; F34-A153 HydrophobicContact CE2-CB 4.05Å; N122-A153 PolarHBondContact OD1-N 3.34Å; A153-I159 HydrophobicContact CB-CD1 4.38Å |
| 154 | K | 94.6 | Very high | 97 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -53.6 | -179.5 | -173.8 | -168.4 | -178 | -173.9 | 0 | 111.4 | R28 F34 D125 S152 N156 | R28-K154 PolarHBondContact NH2-O 3.22Å; F34-K154 HydrophobicContact CD1-CB 4.46Å; F34-K154 HydrophobicContact CD1-CG 4.24Å; F34-K154 HydrophobicContact CD2-CB 4.44Å; F34-K154 HydrophobicContact CE1-CB 4.02Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 4Å; F34-K154 HydrophobicContact CZ-CB 3.78Å; F34-K154 HydrophobicContact CZ-CG 4.06Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 3.53Å; S152-K154 PolarHBondContact O-N 2.78Å; S152-K154 PolarHBondContact OG-N 3.45Å; K154-N156 VanDerWaalsContact C-N 3.33Å |
| 155 | A | 95.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D125 S152 I157 | D125-A155 HydrophobicContact CB-CB 4.18Å; S152-A155 WeakPolarHBondContact OG-CB 3.24Å; S152-A155 PolarHBondContact OG-N 2.89Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 HydrophobicContact CB-CD1 3.78Å; A155-I157 HydrophobicContact CB-CG1 3.86Å; A155-I157 PolarHBondContact O-N 3.27Å |
| 156 | N | 95.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.7 | -175.9 | -162.7 | 21 | 0 | 0 | 0 | 113.9 | R28 S152 K154 | R28-N156 WeakPolarHBondContact CD-OD1 3.47Å; R28-N156 HydrophobicContact CG-CB 4.35Å; R28-N156 WeakPolarHBondContact CG-OD1 3.22Å; S152-N156 CarbonylContact O-C 3.56Å; S152-N156 WeakPolarHBondContact O-CA 3.39Å; S152-N156 PolarHBondContact O-N 2.55Å; K154-N156 VanDerWaalsContact C-N 3.33Å |
| 157 | I | 98.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -89.2 | 124.7 | -179 | -60.2 | 171.4 | 0 | 0 | 0 | 109.2 | T151 S152 A155 I159 | T151-I157 VanDerWaalsContact CA-O 3.27Å; T151-I157 WeakPolarHBondContact CA-O 3.46Å; S152-I157 PolarHBondContact N-O 2.88Å; S152-I157 PolarHBondContact O-N 2.89Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 HydrophobicContact CB-CD1 3.78Å; A155-I157 HydrophobicContact CB-CG1 3.86Å; A155-I157 PolarHBondContact O-N 3.27Å; I157-I159 PolarHBondContact O-N 3.18Å |
| 158 | N | 98 | Very high | 97.4 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 56.9 | 10.9 | 175.2 | -66.4 | -38.9 | 0 | 0 | 0 | 116.2 | E150 T151 A162 | E150-N158 WeakPolarHBondContact O-CB 3.39Å; E150-N158 PolarHBondContact O-ND2 2.93Å; T151-N158 HydrophobicContact CG2-CB 4.04Å; N158-A162 VanDerWaalsContact O-CB 3.3Å; N158-A162 WeakPolarHBondContact O-CB 3.5Å; N158-A162 PolarHBondContact O-N 3.01Å |
| 159 | I | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -61.1 | -177.3 | -60.9 | -67.1 | 0 | 0 | 0 | 110.5 | V25 R28 F29 T151 A153 I157 K161 A162 F163 | V25-I159 HydrophobicContact CB-CD1 4.33Å; V25-I159 HydrophobicContact CG1-CD1 4.07Å; V25-I159 HydrophobicContact CG2-CD1 3.95Å; R28-I159 HydrophobicContact CB-CG2 4.26Å; R28-I159 HydrophobicContact CG-CB 4.22Å; R28-I159 HydrophobicContact CG-CG1 3.9Å; R28-I159 HydrophobicContact CG-CG2 4Å; F29-I159 HydrophobicContact CB-CG2 3.76Å; T151-I159 HydrophobicContact CG2-CD1 4.45Å; A153-I159 HydrophobicContact CB-CD1 4.38Å; I157-I159 PolarHBondContact O-N 3.18Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.28Å; I159-A162 PolarHBondContact O-N 3.33Å; I159-F163 HydrophobicContact CG2-CD2 4.37Å; I159-F163 HydrophobicContact CG2-CE2 4.29Å; I159-F163 WeakPolarHBondContact O-CD2 3.42Å; I159-F163 PolarHBondContact O-N 3.4Å |
| 160 | E | 96.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 37 Ų | 37 | 51% | 0.514 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 179.2 | 179.6 | 166.4 | -138.4 | 0 | 0 | 111.9 | F29 A162 F163 L164 | F29-E160 HydrophobicContact CE2-CG 4.44Å; E160-A162 VanDerWaalsContact C-N 3.29Å; E160-A162 PolarHBondContact O-N 2.98Å; E160-F163 PolarHBondContact O-N 3.11Å; E160-L164 HydrophobicContact CG-CD1 3.63Å; E160-L164 HydrophobicContact CG-CG 3.95Å; E160-L164 WeakPolarHBondContact O-CG 3.44Å; E160-L164 PolarHBondContact O-N 3.13Å |
| 161 | K | 97.6 | Very high | 97 | Very high | 117 Ų | 117 | 36.3 Ų | 36.3 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.7 | -44.1 | 177.7 | -173.5 | 176.6 | -177.2 | 177.7 | 0 | 112.1 | F149 I159 T165 | F149-K161 HydrophobicContact CE1-CD 3.87Å; F149-K161 HydrophobicContact CE1-CG 4.19Å; F149-K161 HydrophobicContact CZ-CD 4.31Å; F149-K161 HydrophobicContact CZ-CG 4.17Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.28Å; K161-T165 VanDerWaalsContact O-CB 3.23Å; K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 2.94Å; K161-T165 PolarHBondContact O-OG1 3.26Å |
| 162 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M86 M118 L120 F149 T151 N158 I159 E160 T165 L166 | M86-A162 HydrophobicContact CE-CB 3.67Å; M118-A162 WeakPolarHBondContact CE-O 3.19Å; M118-A162 HydrophobicContact SD-CB 3.91Å; L120-A162 HydrophobicContact CD2-CB 3.83Å; F149-A162 HydrophobicContact CD2-CB 4.06Å; T151-A162 HydrophobicContact CG2-CB 4.49Å; N158-A162 VanDerWaalsContact O-CB 3.3Å; N158-A162 WeakPolarHBondContact O-CB 3.5Å; N158-A162 PolarHBondContact O-N 3.01Å; I159-A162 PolarHBondContact O-N 3.33Å; E160-A162 VanDerWaalsContact C-N 3.29Å; E160-A162 PolarHBondContact O-N 2.98Å; A162-T165 PolarHBondContact O-N 3.34Å; A162-L166 PolarHBondContact O-N 3.03Å; A162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | F | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 179.1 | -78.8 | -81.8 | 0 | 0 | 0 | 112.7 | L12 L14 V25 F29 I62 M86 I159 E160 L166 A167 | L12-F163 HydrophobicContact CD1-CD1 4.05Å; L14-F163 HydrophobicContact CD1-CZ 4.42Å; L14-F163 HydrophobicContact CD2-CZ 4.36Å; V25-F163 HydrophobicContact CG1-CE2 3.71Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å; F29-F163 HydrophobicContact CB-CD2 3.69Å; F29-F163 HydrophobicContact CB-CE2 3.51Å; F29-F163 HydrophobicContact CB-CG 4.5Å; F29-F163 HydrophobicContact CB-CZ 4.2Å; F29-F163 HydrophobicContact CD1-CB 4.37Å; F29-F163 AromaticContact CD1-CD1 3.95Å; F29-F163 HydrophobicContact CD1-CD1 3.95Å; F29-F163 AromaticContact CD1-CD2 3.84Å; F29-F163 HydrophobicContact CD1-CD2 3.84Å; F29-F163 HydrophobicContact CD1-CE1 4.17Å; F29-F163 HydrophobicContact CD1-CE2 4.06Å; F29-F163 AromaticContact CD1-CG 3.79Å; F29-F163 HydrophobicContact CD1-CG 3.79Å; F29-F163 HydrophobicContact CD1-CZ 4.23Å; F29-F163 HydrophobicContact CD2-CB 3.95Å; F29-F163 AromaticContact CD2-CD2 3.59Å; F29-F163 HydrophobicContact CD2-CD2 3.59Å; F29-F163 HydrophobicContact CD2-CE2 4.32Å; F29-F163 AromaticContact CD2-CG 3.89Å; F29-F163 HydrophobicContact CD2-CG 3.89Å; F29-F163 HydrophobicContact CE1-CB 4.05Å; F29-F163 AromaticContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD2 4.36Å; F29-F163 AromaticContact CE1-CG 3.88Å; F29-F163 HydrophobicContact CE1-CG 3.88Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.16Å; F29-F163 AromaticContact CE2-CG 3.99Å; F29-F163 HydrophobicContact CE2-CG 3.99Å; F29-F163 HydrophobicContact CG-CB 4.32Å; F29-F163 HydrophobicContact CG-CD1 4.37Å; F29-F163 AromaticContact CG-CD2 3.4Å; F29-F163 HydrophobicContact CG-CD2 3.4Å; F29-F163 VanDerWaalsContact CG-CD2 3.4Å; F29-F163 AromaticContact CG-CE2 3.71Å; F29-F163 HydrophobicContact CG-CE2 3.71Å; F29-F163 AromaticContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CG 3.79Å; F29-F163 HydrophobicContact CG-CZ 4.32Å; F29-F163 HydrophobicContact CZ-CB 3.64Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.98Å; F29-F163 HydrophobicContact CZ-CG 3.98Å; I62-F163 HydrophobicContact CD1-CD1 4.08Å; I62-F163 HydrophobicContact CD1-CE1 3.77Å; I62-F163 HydrophobicContact CG1-CE1 4.43Å; I62-F163 HydrophobicContact CG2-CE1 4.14Å; M86-F163 HydrophobicContact CE-CD1 4.32Å; M86-F163 HydrophobicContact CE-CD2 4.43Å; M86-F163 HydrophobicContact CE-CE1 4.46Å; M86-F163 HydrophobicContact CE-CG 4.3Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CE1 3.48Å; M86-F163 WeakPolarHBondContact SD-CE1 3.38Å; M86-F163 HydrophobicContact SD-CE2 4.4Å; M86-F163 HydrophobicContact SD-CG 4.26Å; M86-F163 HydrophobicContact SD-CZ 3.86Å; I159-F163 HydrophobicContact CG2-CD2 4.37Å; I159-F163 HydrophobicContact CG2-CE2 4.29Å; I159-F163 WeakPolarHBondContact O-CD2 3.42Å; I159-F163 PolarHBondContact O-N 3.4Å; E160-F163 PolarHBondContact O-N 3.11Å; F163-L166 PolarHBondContact O-N 3.02Å; F163-A167 WeakPolarHBondContact O-CB 3.23Å; F163-A167 PolarHBondContact O-N 3.04Å |
| 164 | L | 97.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 179.7 | -64.8 | -175.3 | 0 | 0 | 0 | 111.9 | V51 L53 E160 A167 E168 | V51-L164 HydrophobicContact CB-CD2 3.99Å; V51-L164 HydrophobicContact CG1-CD2 3.94Å; V51-L164 HydrophobicContact CG2-CD2 4.17Å; L53-L164 HydrophobicContact CD1-CD2 4.24Å; L53-L164 HydrophobicContact CD2-CB 4.42Å; L53-L164 HydrophobicContact CD2-CD2 4.17Å; L53-L164 HydrophobicContact CG-CD2 4.35Å; E160-L164 HydrophobicContact CG-CD1 3.63Å; E160-L164 HydrophobicContact CG-CG 3.95Å; E160-L164 WeakPolarHBondContact O-CG 3.44Å; E160-L164 PolarHBondContact O-N 3.13Å; L164-A167 PolarHBondContact O-N 3.32Å; L164-E168 WeakPolarHBondContact O-CB 3.49Å; L164-E168 PolarHBondContact O-N 3.11Å |
| 165 | T | 98 | Very high | 94.8 | Very high | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | M118 R147 F149 K161 A162 E168 D169 | M118-T165 HydrophobicContact CE-CG2 4Å; R147-T165 VanDerWaalsContact CD-CG2 3.47Å; F149-T165 HydrophobicContact CE2-CG2 4.2Å; F149-T165 HydrophobicContact CZ-CG2 4.4Å; K161-T165 VanDerWaalsContact O-CB 3.23Å; K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 2.94Å; K161-T165 PolarHBondContact O-OG1 3.26Å; A162-T165 PolarHBondContact O-N 3.34Å; T165-E168 PolarHBondContact O-N 3.34Å; T165-D169 PolarHBondContact O-N 3.3Å |
| 166 | L | 98 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.9 | -178.1 | 62.6 | 0 | 0 | 0 | 111.5 | L12 M86 E116 M118 A162 F163 E168 D169 I170 | L12-L166 HydrophobicContact CD2-CD2 4.08Å; L12-L166 HydrophobicContact CD2-CG 4.47Å; M86-L166 HydrophobicContact CG-CD2 3.39Å; M86-L166 HydrophobicContact SD-CD2 4.06Å; E116-L166 HydrophobicContact CB-CD1 3.53Å; M118-L166 HydrophobicContact CB-CD1 4.39Å; M118-L166 HydrophobicContact CE-CB 3.83Å; M118-L166 HydrophobicContact SD-CB 4.47Å; A162-L166 PolarHBondContact O-N 3.03Å; A162-L166 VanDerWaalsContact O-N 3.08Å; F163-L166 PolarHBondContact O-N 3.02Å; L166-E168 VanDerWaalsContact C-N 3.29Å; L166-E168 PolarHBondContact O-N 3.28Å; L166-D169 PolarHBondContact O-N 3.36Å; L166-I170 HydrophobicContact CG-CD1 4.17Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 3.28Å |
| 167 | A | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F10 L53 L60 F163 L164 L171 | F10-A167 HydrophobicContact CD2-CB 4.28Å; F10-A167 WeakPolarHBondContact CE2-O 3.26Å; L53-A167 HydrophobicContact CD1-CB 3.51Å; L60-A167 HydrophobicContact CD2-CB 4.09Å; F163-A167 WeakPolarHBondContact O-CB 3.23Å; F163-A167 PolarHBondContact O-N 3.04Å; L164-A167 PolarHBondContact O-N 3.32Å; A167-L171 WeakPolarHBondContact O-CB 3.04Å; A167-L171 PolarHBondContact O-N 2.69Å |
| 168 | E | 96.6 | Very high | 88.9 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 174.7 | -165.8 | -173.4 | -176.4 | 0 | 0 | 112 | Q54 L164 T165 L166 I170 L171 R172 | Q54-E168 PolarHBondContact NE2-OE1 3.01Å; L164-E168 WeakPolarHBondContact O-CB 3.49Å; L164-E168 PolarHBondContact O-N 3.11Å; T165-E168 PolarHBondContact O-N 3.34Å; L166-E168 VanDerWaalsContact C-N 3.29Å; L166-E168 PolarHBondContact O-N 3.28Å; E168-I170 VanDerWaalsContact C-N 3.34Å; E168-I170 PolarHBondContact O-N 3.12Å; E168-L171 WeakPolarHBondContact O-CB 3.4Å; E168-L171 PolarHBondContact O-N 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.14Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.26Å; E168-R172 IonicContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 3.71Å; E168-R172 PolarHBondContact OE1-NH2 3.4Å; E168-R172 IonicContact OE2-CZ 3.62Å; E168-R172 IonicContact OE2-NH2 3.88Å; E168-R172 PolarHBondContact OE2-NH2 3.12Å |
| 169 | D | 96 | Very high | 86.6 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 176.4 | -67.4 | -27.7 | 0 | 0 | 0 | 111.1 | E116 R147 T165 L166 L171 R172 K173 | E116-D169 HydrophobicContact CG-CB 4.1Å; R147-D169 IonicContact CZ-OD1 3.01Å; R147-D169 IonicContact CZ-OD2 3.9Å; R147-D169 IonicContact NE-OD1 3.83Å; R147-D169 IonicContact NE-OD2 2.75Å; R147-D169 PolarHBondContact NE-OD2 3.2Å; R147-D169 IonicContact NH2-OD1 3.57Å; R147-D169 PolarHBondContact NH2-OD1 3.09Å; R147-D169 IonicContact NH2-OD2 2.73Å; T165-D169 PolarHBondContact O-N 3.3Å; L166-D169 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact C-N 3.33Å; D169-L171 PolarHBondContact O-N 3.07Å; D169-R172 PolarHBondContact O-N 2.84Å; D169-R172 IonicContact OD1-CZ 2.77Å; D169-R172 IonicContact OD1-NH1 3.96Å; D169-R172 PolarHBondContact OD1-NH1 3.05Å; D169-K173 PolarHBondContact O-N 2.97Å |
| 170 | I | 96.6 | Very high | 83.9 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 174 | -63.9 | 166.3 | 0 | 0 | 0 | 110.9 | F10 L12 M83 E116 L166 E168 R172 K173 T174 | F10-I170 HydrophobicContact CD1-CG2 3.89Å; F10-I170 HydrophobicContact CD2-CB 4.18Å; F10-I170 HydrophobicContact CD2-CD1 4.44Å; F10-I170 HydrophobicContact CD2-CG2 3.89Å; F10-I170 HydrophobicContact CE1-CG2 3.85Å; F10-I170 HydrophobicContact CE2-CB 4.06Å; F10-I170 HydrophobicContact CE2-CG2 3.84Å; F10-I170 HydrophobicContact CG-CG2 3.94Å; F10-I170 HydrophobicContact CZ-CB 4.43Å; F10-I170 HydrophobicContact CZ-CG2 3.83Å; L12-I170 HydrophobicContact CD2-CD1 3.43Å; L12-I170 VanDerWaalsContact CD2-CD1 3.43Å; M83-I170 HydrophobicContact CB-CD1 4.13Å; M83-I170 HydrophobicContact CB-CG1 4.49Å; M83-I170 HydrophobicContact CB-CG2 3.92Å; M83-I170 HydrophobicContact CE-CG2 3.59Å; M83-I170 HydrophobicContact SD-CG2 4.48Å; E116-I170 HydrophobicContact CB-CG1 3.78Å; E116-I170 HydrophobicContact CG-CB 4.47Å; E116-I170 HydrophobicContact CG-CG1 3.66Å; L166-I170 HydrophobicContact CG-CD1 4.17Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 3.28Å; E168-I170 VanDerWaalsContact C-N 3.34Å; E168-I170 PolarHBondContact O-N 3.12Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.06Å; I170-K173 PolarHBondContact O-N 3.24Å; I170-T174 PolarHBondContact O-N 2.96Å; I170-T174 PolarHBondContact O-OG1 3.37Å |
| 171 | L | 94.9 | Very high | 81.3 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 179.6 | 179.3 | 63.7 | 0 | 0 | 0 | 111.6 | L8 F10 Q54 K56 I58 A167 E168 D169 K173 T174 | L8-L171 HydrophobicContact CD1-CD1 3.31Å; F10-L171 HydrophobicContact CE2-CB 4.17Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.16Å; Q54-L171 HydrophobicContact CB-CD2 4.11Å; Q54-L171 HydrophobicContact CG-CD2 4.12Å; K56-L171 HydrophobicContact CD-CD1 4.22Å; I58-L171 HydrophobicContact CD1-CD1 4.25Å; I58-L171 HydrophobicContact CD1-CD2 4.13Å; A167-L171 WeakPolarHBondContact O-CB 3.04Å; A167-L171 PolarHBondContact O-N 2.69Å; E168-L171 WeakPolarHBondContact O-CB 3.4Å; E168-L171 PolarHBondContact O-N 3.49Å; D169-L171 VanDerWaalsContact C-N 3.33Å; D169-L171 PolarHBondContact O-N 3.07Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.17Å; L171-T174 PolarHBondContact O-N 2.85Å |
| 172 | R | 92.9 | Very high | 78.7 | Confident | 138 Ų | 138 | 72.9 Ų | 72.9 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -34.6 | 177.4 | -70.5 | -175.6 | -162.1 | 120.9 | 3.2 | 112.6 | E168 D169 I170 | E168-R172 WeakPolarHBondContact O-CG 3.14Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.26Å; E168-R172 IonicContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 3.71Å; E168-R172 PolarHBondContact OE1-NH2 3.4Å; E168-R172 IonicContact OE2-CZ 3.62Å; E168-R172 IonicContact OE2-NH2 3.88Å; E168-R172 PolarHBondContact OE2-NH2 3.12Å; D169-R172 PolarHBondContact O-N 2.84Å; D169-R172 IonicContact OD1-CZ 2.77Å; D169-R172 IonicContact OD1-NH1 3.96Å; D169-R172 PolarHBondContact OD1-NH1 3.05Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.06Å |
| 173 | K | 89.8 | Confident | 76 | Confident | 118 Ų | 118 | 80 Ų | 80 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -80.9 | -19.9 | 175.1 | -73.4 | -170.3 | 177.1 | 156.6 | 0 | 113.7 | E116 D169 I170 L171 P175 | E116-K173 HydrophobicContact CG-CD 4.43Å; E116-K173 WeakPolarHBondContact OE1-CD 3.37Å; E116-K173 WeakPolarHBondContact OE1-CE 3.2Å; E116-K173 IonicContact OE1-NZ 2.75Å; E116-K173 PolarHBondContact OE1-NZ 2.96Å; E116-K173 IonicContact OE2-NZ 3.51Å; E116-K173 PolarHBondContact OE2-NZ 3.4Å; D169-K173 PolarHBondContact O-N 2.97Å; I170-K173 PolarHBondContact O-N 3.24Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.17Å; K173-P175 VanDerWaalsContact O-CD 3.24Å; K173-P175 WeakPolarHBondContact O-CD 3.4Å |
| 174 | T | 85 | Confident | 73.5 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -76.8 | 114.8 | -178.1 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | I170 L171 V176 | I170-T174 PolarHBondContact O-N 2.96Å; I170-T174 PolarHBondContact O-OG1 3.37Å; L171-T174 PolarHBondContact O-N 2.85Å; T174-V176 PolarHBondContact O-N 3.2Å |
| 175 | P | 72.9 | Confident | 71 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 72% | 0.721 | 48% | 0.478 | S | S | * | . | trans | -62 | 116.3 | 175.4 | 23.7 | -30.6 | 0 | 0 | 0 | 108.7 | K173 K177 | K173-P175 VanDerWaalsContact O-CD 3.24Å; K173-P175 WeakPolarHBondContact O-CD 3.4Å; P175-K177 VanDerWaalsContact C-N 3.35Å; P175-K177 PolarHBondContact O-N 3.01Å | ||
| 176 | V | 64.1 | Low | 68.6 | Low | 86 Ų | 86 | 96.1 Ų | 96.1 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | trans | -70.1 | 97.7 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 106.4 | T174 E178 | T174-V176 PolarHBondContact O-N 3.2Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.79Å | ||
| 177 | K | 54.6 | Low | 65.9 | Low | 196 Ų | 196 | 101.3 Ų | 101.3 | 85% | 0.852 | 54% | 0.54 | S | S | * | . | trans | -65.1 | 101.6 | 156.8 | -73.2 | -171.6 | 178.5 | -175.4 | 0 | 105.3 | P175 | P175-K177 VanDerWaalsContact C-N 3.35Å; P175-K177 PolarHBondContact O-N 3.01Å | ||
| 178 | E | 47.8 | Very low | 63.2 | Low | 160 Ų | 160 | 106.2 Ų | 106.2 | 75% | 0.748 | 58% | 0.575 | S | S | * | * | trans | -52.3 | 134.7 | 163.2 | -66 | -159 | 161.7 | 0 | 0 | 106.9 | V176 N180 | V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.79Å; E178-N180 PolarHBondContact O-N 2.62Å | ||
| 179 | P | 49.5 | Very low | 60.4 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | trans | -58.1 | 114.1 | 171 | 24.4 | -29.2 | 0 | 0 | 0 | 105.9 | S181 | P179-S181 PolarHBondContact O-N 3.2Š| ||
| 180 | N | 39.6 | Very low | 57.4 | Low | 148 Ų | 148 | 111 Ų | 111 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | trans | -43.9 | 113.1 | 168.1 | -104.4 | 1.8 | 0 | 0 | 0 | 106.3 | E178 E182 | E178-N180 PolarHBondContact O-N 2.62Å; N180-E182 PolarHBondContact O-N 3.27Å | ||
| 181 | S | 42 | Very low | 54.3 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -61.4 | 87.3 | 155.5 | 48.6 | 0 | 0 | 0 | 0 | 105 | P179 N183 | P179-S181 PolarHBondContact O-N 3.2Å; S181-N183 PolarHBondContact O-N 3.15Å | ||
| 182 | E | 43 | Very low | 51.6 | Low | 168 Ų | 168 | 120 Ų | 120 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -52.9 | 114.7 | 164.8 | -72.8 | -177.2 | 164.5 | 0 | 0 | 105.7 | N180 V184 | N180-E182 PolarHBondContact O-N 3.27Å; E182-V184 PolarHBondContact O-N 3.3Å | ||
| 183 | N | 41.7 | Very low | 48.8 | Very low | 149 Ų | 149 | 120 Ų | 120 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -47 | 115.7 | 174.1 | -80.3 | -46.4 | 0 | 0 | 0 | 108.1 | S181 D185 | S181-N183 PolarHBondContact O-N 3.15Å; N183-D185 VanDerWaalsContact C-N 3.27Å; N183-D185 PolarHBondContact O-N 3.23Å | ||
| 184 | V | 45.2 | Very low | 46.2 | Very low | 121 Ų | 121 | 118 Ų | 118 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 92.7 | 164.9 | -168.8 | 0 | 0 | 0 | 0 | 105.5 | E182 I186 | E182-V184 PolarHBondContact O-N 3.3Å; V184-I186 HydrophobicContact CB-CG1 4.43Å; V184-I186 HydrophobicContact CG1-CD1 4.08Å; V184-I186 HydrophobicContact CG1-CG1 3.51Å; V184-I186 PolarHBondContact O-N 3.11Å | ||
| 185 | D | 45.9 | Very low | 43.6 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -67.6 | 89.7 | 162.7 | -101.6 | -35.8 | 0 | 0 | 0 | 107.7 | N183 S187 | N183-D185 VanDerWaalsContact C-N 3.27Å; N183-D185 PolarHBondContact O-N 3.23Å; D185-S187 VanDerWaalsContact C-N 3.33Å; D185-S187 PolarHBondContact O-N 3.07Å | ||
| 186 | I | 46.9 | Very low | 41.9 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -81.8 | 87.1 | 162.4 | -57.3 | -179.3 | 0 | 0 | 0 | 106.6 | V184 | V184-I186 HydrophobicContact CB-CG1 4.43Å; V184-I186 HydrophobicContact CG1-CD1 4.08Å; V184-I186 HydrophobicContact CG1-CG1 3.51Å; V184-I186 PolarHBondContact O-N 3.11Å | ||
| 187 | S | 41.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -109.2 | 74.7 | 153 | 70.1 | 0 | 0 | 0 | 0 | 108.5 | D185 | D185-S187 VanDerWaalsContact C-N 3.33Å; D185-S187 PolarHBondContact O-N 3.07Å | ||
| 188 | S | 40 | Very low | 39.7 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -64 | 125.7 | 163.8 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 189 | G | 38.6 | Very low | 39.1 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -83.7 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 190 | G | 32.2 | Very low | 38.7 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 162 | 129.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 191 | G | 31.8 | Very low | 38.8 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | cis | -178.6 | 153.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 192 | V | 38.3 | Very low | 38.6 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | 46.9 | 118.6 | 149.1 | -153 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 193 | T | 34.7 | Very low | 38.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | 166.5 | 140.3 | 113.8 | 37 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 194 | G | 34 | Very low | 38.2 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -92.9 | 175.8 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 195 | W | 30.2 | Very low | 37.8 | Very low | 257 Ų | 257 | 133.1 Ų | 133.1 | 97% | 0.973 | 84% | 0.836 | S | S | * | * | trans | -165 | 139 | 140.4 | -136.2 | -36.6 | 0 | 0 | 0 | 110.5 | ||||
| 196 | K | 37 | Very low | 37.3 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | trans | -56.1 | 145.7 | 165.5 | -66.4 | 174.6 | 172.2 | 177.7 | 0 | 111.6 | ||||
| 197 | S | 35.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 85% | 0.849 | S | S | * | * | 151.5 | 131.4 | 106.7 | 64.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 198 | K | 37.5 | Very low | 36.3 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | 52.5 | 130.8 | 138 | -92.9 | -172.4 | 171.1 | 178.5 | 0 | 123.1 | ||||
| 199 | C | 36.1 | Very low | 36 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 76% | 0.764 | 87% | 0.865 | S | S | * | * | 91.2 | 146.2 | 127.5 | -74.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 200 | C | 39.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 140 Ų | 140 | 80% | 0.797 | 86% | 0.864 | S | S | * | * | trans | -65.4 | 161.7 | -167.8 | -44.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 201 | S | 41.4 | Very low | 36.1 | Very low | 199 Ų | 199 | 145 Ų | 145 | 100% | 1.392 | 86% | 0.863 | S | S | * | * | -151.9 | 0 | 122.1 | -70.8 | 0 | 0 | 0 | 0 | 109 |
Retrieved 201 of 201 residues in 46.8 ms
(Link to these results)