| 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 | 43.3 | Very low | 77.8 | Confident | 232 Ų | 232 | 70.1 Ų | 70.1 | 100% | 1.143 | 36% | 0.357 | S | S | * | . | 0 | 118.8 | 0 | -93.1 | -172.9 | -89 | 0 | 0 | 104.9 | T3 | M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | D | 53.1 | Low | 79.5 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | trans | -66.9 | 113.3 | 178.2 | -59.1 | -33 | 0 | 0 | 0 | 108.1 | L90 | D2-L90 HydrophobicContact CB-CD1 3.99Å; D2-L90 HydrophobicContact CB-CD2 3.75Å; D2-L90 HydrophobicContact CB-CG 4.34Å | ||
| 3 | T | 60.3 | Low | 80.9 | Confident | 107 Ų | 107 | 59.3 Ų | 59.3 | 66% | 0.656 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -82 | 135.6 | 175.5 | 34.9 | 0 | 0 | 0 | 0 | 109.2 | M1 | M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 65.4 | Low | 82.1 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 52% | 0.518 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 140.5 | 173.6 | -70.8 | 167.4 | 0 | 0 | 0 | 110 | R6 Q88 | L4-R6 PolarHBondContact O-N 2.83Å; L4-Q88 HydrophobicContact CD2-CB 3.7Å; L4-Q88 HydrophobicContact CD2-CG 3.73Å |
| 5 | A | 69.1 | Low | 82.6 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 130.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V89 E91 R95 | A5-V89 HydrophobicContact CB-CB 4.26Å; A5-V89 HydrophobicContact CB-CG1 4.47Å; A5-V89 VanDerWaalsContact CB-O 3.31Å; A5-V89 WeakPolarHBondContact CB-O 3.43Å; A5-V89 PolarHBondContact N-O 2.78Å; A5-E91 WeakPolarHBondContact CA-O 3.47Å; A5-E91 HydrophobicContact CB-CB 3.96Å; A5-R95 HydrophobicContact CB-CB 4.46Å |
| 6 | R | 82.6 | Confident | 83.2 | Confident | 85 Ų | 85 | 49 Ų | 49 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 145.4 | 173.4 | -71.8 | 179.1 | 179.9 | 171.5 | -4.3 | 109.5 | L4 I94 R95 E198 D202 | L4-R6 PolarHBondContact O-N 2.83Å; R6-I94 HydrophobicContact CB-CG1 3.92Å; R6-I94 CarbonylContact O-C 3.56Å; R6-I94 VanDerWaalsContact O-CA 3.28Å; R6-I94 WeakPolarHBondContact O-CA 3.22Å; R6-R95 PolarHBondContact O-N 3.2Å; R6-E198 VanDerWaalsContact CD-OE2 3.32Å; R6-E198 WeakPolarHBondContact CD-OE2 3.31Å; R6-E198 IonicContact CZ-OE2 3.56Å; R6-E198 IonicContact NE-OE2 3.25Å; R6-E198 PolarHBondContact NE-OE2 3.31Å; R6-E198 IonicContact NH1-OE2 3.94Å; R6-D202 IonicContact NH2-OD2 3.23Å; R6-D202 PolarHBondContact NH2-OD2 3.33Å |
| 7 | Q | 91.9 | Very high | 83.6 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143 | -175.7 | -66 | 177 | 4.4 | 0 | 0 | 110.9 | W84 S85 R95 | Q7-W84 HydrophobicContact CB-CH2 4.1Å; Q7-W84 HydrophobicContact CB-CZ3 4.01Å; Q7-W84 HydrophobicContact CG-CH2 4.15Å; Q7-W84 HydrophobicContact CG-CZ3 4.05Å; Q7-S85 PolarHBondContact NE2-O 3.32Å; Q7-S85 VanDerWaalsContact OE1-CA 3.3Å; Q7-S85 PolarHBondContact OE1-O 3.19Å; Q7-S85 PolarHBondContact OE1-OG 2.9Å; Q7-R95 CarbonylContact C-O 3.5Å; Q7-R95 WeakPolarHBondContact CA-O 3.46Å |
| 8 | Y | 95.1 | Very high | 84.2 | Confident | 19 Ų | 19 | 45 Ų | 45 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 123 | 174.6 | -159.3 | -98.1 | 0 | 0 | 0 | 111 | I10 R95 I96 L97 D115 L116 K190 I191 A194 | Y8-I10 HydrophobicContact CD1-CD1 4.33Å; Y8-I10 HydrophobicContact CD1-CG1 3.82Å; Y8-I10 HydrophobicContact CE1-CD1 4.48Å; Y8-I10 HydrophobicContact CE1-CG1 3.94Å; Y8-R95 PolarHBondContact N-O 3.06Å; Y8-I96 CarbonylContact O-C 3.6Å; Y8-I96 VanDerWaalsContact O-CA 3.24Å; Y8-I96 WeakPolarHBondContact O-CA 3.46Å; Y8-L97 PolarHBondContact O-N 2.95Å; Y8-D115 WeakPolarHBondContact CA-OD2 3.44Å; Y8-D115 HydrophobicContact CD1-CB 4.44Å; Y8-D115 HydrophobicContact CD2-CB 3.81Å; Y8-D115 HydrophobicContact CE1-CB 4.17Å; Y8-D115 HydrophobicContact CE2-CB 3.49Å; Y8-D115 VanDerWaalsContact CE2-CB 3.49Å; Y8-D115 HydrophobicContact CG-CB 4.28Å; Y8-L116 HydrophobicContact CE1-CB 3.93Å; Y8-K190 WeakPolarHBondContact OH-CB 3.45Å; Y8-I191 HydrophobicContact CD1-CG1 3.93Å; Y8-I191 HydrophobicContact CE1-CG1 3.91Å; Y8-A194 HydrophobicContact CD2-CB 4.14Å; Y8-A194 HydrophobicContact CE2-CB 3.63Å |
| 9 | V | 97.5 | Very high | 84.7 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.5 | -176 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | M81 W84 L97 I99 M113 M114 D115 L116 | V9-M81 HydrophobicContact CG1-CE 3.82Å; V9-W84 HydrophobicContact CG2-CZ3 4.11Å; V9-L97 CarbonylContact C-O 3.58Å; V9-L97 WeakPolarHBondContact CA-O 3.18Å; V9-L97 HydrophobicContact CG1-CB 4.37Å; V9-L97 HydrophobicContact CG1-CD2 4.28Å; V9-L97 HydrophobicContact CG1-CG 4.47Å; V9-L97 HydrophobicContact CG2-CB 4.24Å; V9-I99 HydrophobicContact CG1-CG2 4.42Å; V9-M113 WeakPolarHBondContact CB-O 3.43Å; V9-M113 WeakPolarHBondContact CG1-O 3.44Å; V9-M113 WeakPolarHBondContact CG2-O 3.21Å; V9-M114 HydrophobicContact CG1-CG 4.17Å; V9-D115 PolarHBondContact N-OD2 2.75Å; V9-D115 PolarHBondContact O-N 2.95Å; V9-L116 PolarHBondContact O-N 2.71Å; V9-L116 VanDerWaalsContact O-N 3.1Å |
| 10 | I | 98.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.6 | 176.9 | -53.5 | 175 | 0 | 0 | 0 | 108.5 | Y8 I12 L31 I96 L97 I98 I99 L116 I118 V187 | Y8-I10 HydrophobicContact CD1-CD1 4.33Å; Y8-I10 HydrophobicContact CD1-CG1 3.82Å; Y8-I10 HydrophobicContact CE1-CD1 4.48Å; Y8-I10 HydrophobicContact CE1-CG1 3.94Å; I10-I12 HydrophobicContact CG2-CG1 4.04Å; I10-L31 HydrophobicContact CD1-CD1 4.39Å; I10-I96 HydrophobicContact CD1-CG2 3.83Å; I10-I96 HydrophobicContact CG1-CG2 4.19Å; I10-L97 PolarHBondContact N-O 3.37Å; I10-I98 HydrophobicContact CB-CG1 4.42Å; I10-I98 HydrophobicContact CD1-CG1 4.48Å; I10-I98 CarbonylContact O-C 3.56Å; I10-I98 WeakPolarHBondContact O-CA 3.35Å; I10-I99 PolarHBondContact O-N 3.3Å; I10-L116 CarbonylContact C-O 3.59Å; I10-L116 HydrophobicContact CG1-CB 4.38Å; I10-L116 HydrophobicContact CG2-CB 4.43Å; I10-L116 HydrophobicContact CG2-CD2 4.25Å; I10-L116 HydrophobicContact CG2-CG 4.37Å; I10-I118 HydrophobicContact CG2-CD1 4.29Å; I10-V187 HydrophobicContact CD1-CG1 3.74Å; I10-V187 HydrophobicContact CD1-CG2 4.38Å |
| 11 | G | 98.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I99 M105 L116 I118 | G11-I99 CarbonylContact C-O 3.56Å; G11-I99 WeakPolarHBondContact CA-O 3.48Å; G11-M105 VanDerWaalsContact O-CE 3.3Å; G11-M105 WeakPolarHBondContact O-CE 3.43Å; G11-L116 PolarHBondContact N-O 3.08Å; G11-I118 PolarHBondContact O-N 3.12Å |
| 12 | I | 98.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 95.2 | 173.5 | -54.3 | -177.4 | 0 | 0 | 0 | 109 | I10 K20 L27 I98 I99 E100 G101 I118 L120 | I10-I12 HydrophobicContact CG2-CG1 4.04Å; I12-K20 HydrophobicContact CG2-CB 4.37Å; I12-K20 HydrophobicContact CG2-CG 4.32Å; I12-L27 HydrophobicContact CD1-CD2 4.02Å; I12-I98 HydrophobicContact CD1-CG2 3.7Å; I12-I98 HydrophobicContact CG1-CG2 4.02Å; I12-I99 PolarHBondContact N-O 3.01Å; I12-E100 HydrophobicContact CB-CB 4.22Å; I12-E100 WeakPolarHBondContact O-CA 3.05Å; I12-E100 WeakPolarHBondContact O-CB 3.35Å; I12-G101 PolarHBondContact O-N 3.19Å; I12-I118 WeakPolarHBondContact CA-O 3.23Å; I12-I118 HydrophobicContact CG1-CB 4.38Å; I12-I118 HydrophobicContact CG2-CG2 4.37Å; I12-L120 HydrophobicContact CG2-CD1 4.29Å; I12-L120 HydrophobicContact CG2-CG 4.25Å |
| 13 | A | 98.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -179.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G101 I104 M105 I118 F119 L120 | A13-G101 WeakPolarHBondContact CA-O 3.36Å; A13-I104 HydrophobicContact CB-CD1 4.26Å; A13-I104 HydrophobicContact CB-CG1 3.85Å; A13-M105 HydrophobicContact CB-CB 4.13Å; A13-M105 HydrophobicContact CB-CE 3.77Å; A13-M105 HydrophobicContact CB-CG 3.61Å; A13-M105 HydrophobicContact CB-SD 3.61Å; A13-I118 PolarHBondContact N-O 3.03Å; A13-F119 HydrophobicContact CB-CD2 3.72Å; A13-F119 HydrophobicContact CB-CE2 4.07Å; A13-F119 WeakPolarHBondContact O-CA 3.36Å; A13-L120 PolarHBondContact O-N 3.26Å |
| 14 | G | 96.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.6 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K20 L120 | G14-K20 PolarHBondContact O-NZ 3.43Å; G14-L120 VanDerWaalsContact CA-O 3.23Å; G14-L120 WeakPolarHBondContact CA-O 3.27Å |
| 15 | A | 90.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -52 | 152.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N17 S18 K20 L120 I122 M127 Y153 | A15-N17 PolarHBondContact O-N 3.09Å; A15-S18 WeakPolarHBondContact O-CB 3.37Å; A15-S18 PolarHBondContact O-N 3.38Å; A15-S18 PolarHBondContact O-OG 3.27Å; A15-K20 PolarHBondContact O-NZ 3.42Å; A15-L120 PolarHBondContact N-O 2.96Å; A15-I122 HydrophobicContact CB-CG2 3.32Å; A15-M127 HydrophobicContact CB-CE 3.91Å; A15-M127 HydrophobicContact CB-SD 3.93Å; A15-Y153 HydrophobicContact CB-CD2 3.54Å; A15-Y153 HydrophobicContact CB-CE2 3.55Å; A15-Y153 HydrophobicContact CB-CG 4.11Å |
| 16 | S | 91.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 138.5 | 163.2 | -160.1 | 0 | 0 | 0 | 0 | 110.5 | S18 M127 R131 Y136 | S16-S18 PolarHBondContact O-N 3.19Å; S16-S18 VanDerWaalsContact O-N 3.13Å; S16-M127 VanDerWaalsContact CB-CE 3.42Å; S16-M127 WeakPolarHBondContact O-CE 3.45Å; S16-M127 WeakPolarHBondContact O-CG 3.37Å; S16-R131 PolarHBondContact OG-NH1 2.86Å; S16-Y136 PolarHBondContact OG-OH 3.22Å |
| 17 | N | 91.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 19.7 Ų | 19.7 | 13% | 0.128 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 18.7 | -177.9 | -59.1 | 71.7 | 0 | 0 | 0 | 116.5 | A15 G19 R130 R134 Y136 | A15-N17 PolarHBondContact O-N 3.09Å; N17-G19 VanDerWaalsContact C-N 3.28Å; N17-G19 PolarHBondContact O-N 3.31Å; N17-R130 HydrophobicContact CB-CB 3.76Å; N17-R130 PolarHBondContact ND2-O 2.77Å; N17-R130 WeakPolarHBondContact O-CD 3.48Å; N17-R130 PolarHBondContact O-NH1 3.43Å; N17-R134 WeakPolarHBondContact ND2-CB 3.23Å; N17-R134 WeakPolarHBondContact ND2-CD 3.42Å; N17-Y136 PolarHBondContact OD1-OH 3.05Å |
| 18 | S | 93.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -71.2 | -22.2 | 172.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | A15 S16 K20 R130 S172 | A15-S18 WeakPolarHBondContact O-CB 3.37Å; A15-S18 PolarHBondContact O-N 3.38Å; A15-S18 PolarHBondContact O-OG 3.27Å; S16-S18 PolarHBondContact O-N 3.19Å; S16-S18 VanDerWaalsContact O-N 3.13Å; S18-K20 WeakPolarHBondContact OG-CG 3.44Å; S18-R130 PolarHBondContact O-NH1 3.33Å; S18-S172 VanDerWaalsContact O-CB 3.24Å; S18-S172 WeakPolarHBondContact O-CB 3.46Å; S18-S172 PolarHBondContact O-OG 2.89Å |
| 19 | G | 93.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 22.3 Ų | 22.3 | 25% | 0.247 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 111.5 | 10.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N17 T21 T22 M23 | N17-G19 VanDerWaalsContact C-N 3.28Å; N17-G19 PolarHBondContact O-N 3.31Å; G19-T21 PolarHBondContact O-N 2.63Å; G19-T22 WeakPolarHBondContact O-CB 3.28Å; G19-T22 PolarHBondContact O-N 3.08Å; G19-T22 VanDerWaalsContact O-N 3.09Å; G19-M23 WeakPolarHBondContact O-CG 3.41Å; G19-M23 PolarHBondContact O-N 2.84Å |
| 20 | K | 97.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 25 Ų | 25 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -44.6 | -63.3 | 179.6 | -64.3 | -176.6 | -62.1 | -67.3 | 0 | 113.1 | I12 G14 A15 S18 T22 M23 T24 E100 G101 L120 | I12-K20 HydrophobicContact CG2-CB 4.37Å; I12-K20 HydrophobicContact CG2-CG 4.32Å; G14-K20 PolarHBondContact O-NZ 3.43Å; A15-K20 PolarHBondContact O-NZ 3.42Å; S18-K20 WeakPolarHBondContact OG-CG 3.44Å; K20-T22 PolarHBondContact O-N 3.06Å; K20-M23 CarbonylContact O-C 3.55Å; K20-M23 WeakPolarHBondContact O-CA 3.47Å; K20-M23 PolarHBondContact O-N 2.79Å; K20-T24 PolarHBondContact O-N 2.76Å; K20-T24 PolarHBondContact O-OG1 2.75Å; K20-T24 VanDerWaalsContact O-OG1 3.11Å; K20-E100 WeakPolarHBondContact CB-OE2 3.27Å; K20-G101 VanDerWaalsContact CE-C 3.48Å; K20-L120 HydrophobicContact CB-CD1 4.42Å; K20-L120 HydrophobicContact CG-CD1 3.9Å; K20-L120 HydrophobicContact CG-CG 4.36Å |
| 21 | T | 96 | Very high | 96.3 | Very high | 62 Ų | 62 | 25 Ų | 25 | 38% | 0.38 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -54.4 | -39.6 | -179.5 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | G19 T24 G25 E100 | G19-T21 PolarHBondContact O-N 2.63Å; T21-T24 PolarHBondContact O-N 3.36Å; T21-G25 PolarHBondContact O-N 2.91Å; T21-E100 PolarHBondContact OG1-OE1 3.42Å |
| 22 | T | 96 | Very high | 96.1 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 44% | 0.436 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.8 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | G19 K20 K26 I176 | G19-T22 WeakPolarHBondContact O-CB 3.28Å; G19-T22 PolarHBondContact O-N 3.08Å; G19-T22 VanDerWaalsContact O-N 3.09Å; K20-T22 PolarHBondContact O-N 3.06Å; T22-K26 HydrophobicContact CG2-CD 4.45Å; T22-K26 WeakPolarHBondContact O-CG 3.49Å; T22-K26 PolarHBondContact O-N 3.23Å; T22-K26 VanDerWaalsContact O-N 3.11Å; T22-I176 HydrophobicContact CG2-CD1 3.42Å; T22-I176 VanDerWaalsContact CG2-CD1 3.42Å; T22-I176 HydrophobicContact CG2-CG1 4.43Å |
| 23 | M | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 174.6 | -65.9 | -59.2 | 91.7 | 0 | 0 | 111.6 | G19 K20 K26 L27 L120 I176 L179 F180 I183 | G19-M23 WeakPolarHBondContact O-CG 3.41Å; G19-M23 PolarHBondContact O-N 2.84Å; K20-M23 CarbonylContact O-C 3.55Å; K20-M23 WeakPolarHBondContact O-CA 3.47Å; K20-M23 PolarHBondContact O-N 2.79Å; M23-K26 HydrophobicContact CE-CD 3.89Å; M23-L27 WeakPolarHBondContact O-CB 3.32Å; M23-L27 PolarHBondContact O-N 3.25Å; M23-L120 HydrophobicContact CG-CD1 4.17Å; M23-I176 HydrophobicContact CE-CD1 3.99Å; M23-I176 HydrophobicContact CE-CG1 3.36Å; M23-L179 HydrophobicContact CG-CD2 3.79Å; M23-L179 HydrophobicContact CG-CG 4.19Å; M23-L179 HydrophobicContact SD-CB 4.23Å; M23-L179 HydrophobicContact SD-CD2 3.77Å; M23-L179 HydrophobicContact SD-CG 3.75Å; M23-F180 HydrophobicContact CE-CB 4.28Å; M23-F180 HydrophobicContact SD-CB 3.97Å; M23-F180 HydrophobicContact SD-CD2 4.47Å; M23-I183 HydrophobicContact CB-CD1 4.02Å; M23-I183 HydrophobicContact CG-CD1 3.78Å; M23-I183 HydrophobicContact SD-CD1 4.02Å |
| 24 | T | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 174.4 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | K20 T21 L27 A28 C40 I98 E100 | K20-T24 PolarHBondContact O-N 2.76Å; K20-T24 PolarHBondContact O-OG1 2.75Å; K20-T24 VanDerWaalsContact O-OG1 3.11Å; T21-T24 PolarHBondContact O-N 3.36Å; T24-L27 PolarHBondContact O-N 2.83Å; T24-A28 VanDerWaalsContact O-CB 3.3Å; T24-A28 WeakPolarHBondContact O-CB 3.27Å; T24-A28 PolarHBondContact O-N 3.42Å; T24-C40 HydrophobicContact CG2-CB 4.21Å; T24-I98 HydrophobicContact CG2-CB 4.27Å; T24-I98 HydrophobicContact CG2-CG2 3.81Å; T24-E100 HydrophobicContact CG2-CG 4.29Å; T24-E100 WeakPolarHBondContact OG1-CB 3.35Å |
| 25 | G | 98.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | T21 L27 A28 E29 | T21-G25 PolarHBondContact O-N 2.91Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 2.92Å; G25-A28 PolarHBondContact O-N 2.91Å; G25-E29 WeakPolarHBondContact O-CG 3.37Å; G25-E29 PolarHBondContact O-N 3.34Å |
| 26 | K | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 178.3 | -69.5 | -177.1 | 123.6 | -174.9 | 0 | 112.6 | T22 M23 Y30 F180 | T22-K26 HydrophobicContact CG2-CD 4.45Å; T22-K26 WeakPolarHBondContact O-CG 3.49Å; T22-K26 PolarHBondContact O-N 3.23Å; T22-K26 VanDerWaalsContact O-N 3.11Å; M23-K26 HydrophobicContact CE-CD 3.89Å; K26-Y30 WeakPolarHBondContact O-CB 3.46Å; K26-Y30 PolarHBondContact O-N 3.48Å; K26-Y30 VanDerWaalsContact O-N 3.07Å; K26-F180 VanDerWaalsContact C-CE2 3.47Å; K26-F180 HydrophobicContact CB-CD2 3.61Å; K26-F180 HydrophobicContact CB-CE2 3.37Å; K26-F180 HydrophobicContact CB-CG 4.43Å; K26-F180 HydrophobicContact CB-CZ 4.01Å; K26-F180 HydrophobicContact CD-CD2 4.21Å; K26-F180 HydrophobicContact CD-CG 4.3Å |
| 27 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 179.4 | -178.9 | 63.9 | 0 | 0 | 0 | 110.9 | I12 M23 T24 G25 Y30 L31 I98 I183 V187 | I12-L27 HydrophobicContact CD1-CD2 4.02Å; M23-L27 WeakPolarHBondContact O-CB 3.32Å; M23-L27 PolarHBondContact O-N 3.25Å; T24-L27 PolarHBondContact O-N 2.83Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 2.92Å; L27-Y30 HydrophobicContact CD1-CD1 4.4Å; L27-Y30 PolarHBondContact O-N 3.39Å; L27-L31 HydrophobicContact CD1-CD1 4.05Å; L27-L31 HydrophobicContact CD1-CG 4.07Å; L27-L31 HydrophobicContact CD2-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 3.83Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.47Å; L27-I98 HydrophobicContact CB-CD1 4.5Å; L27-I98 HydrophobicContact CD2-CD1 4.06Å; L27-I98 HydrophobicContact CG-CD1 4.15Å; L27-I183 HydrophobicContact CD2-CG2 4.15Å; L27-V187 HydrophobicContact CD1-CB 4.25Å; L27-V187 HydrophobicContact CD1-CG1 4.16Å; L27-V187 HydrophobicContact CD1-CG2 4.22Å; L27-V187 HydrophobicContact CD2-CG2 3.86Å |
| 28 | A | 98.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T24 G25 Y30 L31 Q32 V38 I98 | T24-A28 VanDerWaalsContact O-CB 3.3Å; T24-A28 WeakPolarHBondContact O-CB 3.27Å; T24-A28 PolarHBondContact O-N 3.42Å; G25-A28 PolarHBondContact O-N 2.91Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 3.42Å; A28-L31 PolarHBondContact O-N 2.74Å; A28-Q32 WeakPolarHBondContact O-CB 3.31Å; A28-Q32 VanDerWaalsContact O-CG 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.34Å; A28-Q32 PolarHBondContact O-N 2.89Å; A28-V38 HydrophobicContact CB-CG1 3.93Å; A28-I98 HydrophobicContact CB-CD1 4.23Å |
| 29 | E | 98.2 | Very high | 96 | Very high | 137 Ų | 137 | 44.3 Ų | 44.3 | 64% | 0.64 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -56.6 | -46.5 | 176 | -73.3 | 173.6 | -174.3 | 0 | 0 | 111.6 | G25 S33 | G25-E29 WeakPolarHBondContact O-CG 3.37Å; G25-E29 PolarHBondContact O-N 3.34Å; E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.11Å |
| 30 | Y | 98 | Very high | 96.2 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 28% | 0.275 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 177.7 | 166.6 | -101.1 | 0 | 0 | 0 | 112.3 | K26 L27 A28 Q32 S33 I34 N188 | K26-Y30 WeakPolarHBondContact O-CB 3.46Å; K26-Y30 PolarHBondContact O-N 3.48Å; K26-Y30 VanDerWaalsContact O-N 3.07Å; L27-Y30 HydrophobicContact CD1-CD1 4.4Å; L27-Y30 PolarHBondContact O-N 3.39Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 3.42Å; Y30-Q32 VanDerWaalsContact C-N 3.33Å; Y30-Q32 PolarHBondContact O-N 3.02Å; Y30-S33 WeakPolarHBondContact O-CB 3.24Å; Y30-S33 PolarHBondContact O-N 3.27Å; Y30-S33 VanDerWaalsContact O-N 3.09Å; Y30-S33 PolarHBondContact O-OG 3.01Å; Y30-I34 HydrophobicContact CE1-CD1 3.87Å; Y30-I34 HydrophobicContact CE2-CG2 4.14Å; Y30-I34 PolarHBondContact O-N 3.37Å; Y30-N188 WeakPolarHBondContact CE1-OD1 3.3Å; Y30-N188 PolarHBondContact OH-ND2 2.69Å; Y30-N188 PolarHBondContact OH-OD1 3.49Å |
| 31 | L | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -179 | -73.4 | 173.8 | 0 | 0 | 0 | 111.8 | I10 L27 A28 S33 I34 G35 Y36 V38 I96 I98 V187 I191 | I10-L31 HydrophobicContact CD1-CD1 4.39Å; L27-L31 HydrophobicContact CD1-CD1 4.05Å; L27-L31 HydrophobicContact CD1-CG 4.07Å; L27-L31 HydrophobicContact CD2-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 3.83Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.47Å; A28-L31 PolarHBondContact O-N 2.74Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-I34 HydrophobicContact CD2-CD1 4.26Å; L31-I34 WeakPolarHBondContact O-CG1 3.26Å; L31-I34 PolarHBondContact O-N 2.88Å; L31-G35 PolarHBondContact O-N 3.39Å; L31-Y36 HydrophobicContact CB-CD2 4.27Å; L31-Y36 HydrophobicContact CD2-CD2 3.87Å; L31-Y36 HydrophobicContact CD2-CE2 4.2Å; L31-Y36 PolarHBondContact O-N 2.85Å; L31-Y36 VanDerWaalsContact O-N 3.08Å; L31-V38 HydrophobicContact CB-CG2 3.61Å; L31-V38 HydrophobicContact CD1-CG2 4.4Å; L31-I96 HydrophobicContact CD1-CD1 3.98Å; L31-I96 HydrophobicContact CD1-CG2 4.4Å; L31-I96 HydrophobicContact CD2-CD1 4.32Å; L31-I98 HydrophobicContact CD1-CD1 4.18Å; L31-V187 HydrophobicContact CD1-CG1 4.28Å; L31-V187 HydrophobicContact CD2-CG1 4.16Å; L31-I191 HydrophobicContact CD2-CD1 3.97Å |
| 32 | Q | 95.4 | Very high | 96.4 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 172.8 | -72 | 170.6 | -20 | 0 | 0 | 111.5 | A28 Y30 I34 G35 Y36 V38 | A28-Q32 WeakPolarHBondContact O-CB 3.31Å; A28-Q32 VanDerWaalsContact O-CG 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.34Å; A28-Q32 PolarHBondContact O-N 2.89Å; Y30-Q32 VanDerWaalsContact C-N 3.33Å; Y30-Q32 PolarHBondContact O-N 3.02Å; Q32-I34 PolarHBondContact O-N 3.31Å; Q32-G35 PolarHBondContact O-N 3.07Å; Q32-Y36 WeakPolarHBondContact CA-O 3.13Å; Q32-V38 HydrophobicContact CG-CB 3.86Å; Q32-V38 HydrophobicContact CG-CG2 3.76Å; Q32-V38 PolarHBondContact NE2-O 3.27Å |
| 33 | S | 96.2 | Very high | 96.5 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.4 | -22.7 | 179.2 | 80.1 | 0 | 0 | 0 | 0 | 114.1 | E29 Y30 L31 | E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.11Å; Y30-S33 WeakPolarHBondContact O-CB 3.24Å; Y30-S33 PolarHBondContact O-N 3.27Å; Y30-S33 VanDerWaalsContact O-N 3.09Å; Y30-S33 PolarHBondContact O-OG 3.01Å; L31-S33 VanDerWaalsContact C-N 3.33Å |
| 34 | I | 93.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 40% | 0.395 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10.5 | 176.8 | 65.7 | 172 | 0 | 0 | 0 | 113.2 | Y30 L31 Q32 Y36 | Y30-I34 HydrophobicContact CE1-CD1 3.87Å; Y30-I34 HydrophobicContact CE2-CG2 4.14Å; Y30-I34 PolarHBondContact O-N 3.37Å; L31-I34 HydrophobicContact CD2-CD1 4.26Å; L31-I34 WeakPolarHBondContact O-CG1 3.26Å; L31-I34 PolarHBondContact O-N 2.88Å; Q32-I34 PolarHBondContact O-N 3.31Å; I34-Y36 HydrophobicContact CD1-CD2 3.96Å; I34-Y36 HydrophobicContact CD1-CE2 3.68Å; I34-Y36 HydrophobicContact CG1-CD2 3.8Å; I34-Y36 HydrophobicContact CG1-CE2 3.96Å |
| 35 | G | 90.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 50 Ų | 50 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | -14.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L31 Q32 Q93 | L31-G35 PolarHBondContact O-N 3.39Å; Q32-G35 PolarHBondContact O-N 3.07Å; G35-Q93 PolarHBondContact O-OE1 3.4Å |
| 36 | Y | 92.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 51 Ų | 51 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | trans | -71.5 | 141.2 | -175 | -64.8 | -69.1 | 0 | 0 | 0 | 113 | L31 Q32 I34 V38 I94 I96 I191 | L31-Y36 HydrophobicContact CB-CD2 4.27Å; L31-Y36 HydrophobicContact CD2-CD2 3.87Å; L31-Y36 HydrophobicContact CD2-CE2 4.2Å; L31-Y36 PolarHBondContact O-N 2.85Å; L31-Y36 VanDerWaalsContact O-N 3.08Å; Q32-Y36 WeakPolarHBondContact CA-O 3.13Å; I34-Y36 HydrophobicContact CD1-CD2 3.96Å; I34-Y36 HydrophobicContact CD1-CE2 3.68Å; I34-Y36 HydrophobicContact CG1-CD2 3.8Å; I34-Y36 HydrophobicContact CG1-CE2 3.96Å; Y36-V38 PolarHBondContact O-N 3.38Å; Y36-I94 HydrophobicContact CD1-CB 4.01Å; Y36-I94 WeakPolarHBondContact CD1-O 3.45Å; Y36-I94 HydrophobicContact CE1-CB 3.95Å; Y36-I94 HydrophobicContact CE1-CD1 4.42Å; Y36-I94 HydrophobicContact CE1-CG1 4.5Å; Y36-I96 HydrophobicContact CD1-CD1 3.85Å; Y36-I96 HydrophobicContact CD1-CG1 4.4Å; Y36-I96 HydrophobicContact CD2-CD1 4.01Å; Y36-I96 HydrophobicContact CE1-CD1 4.46Å; Y36-I96 HydrophobicContact CG-CD1 3.6Å; Y36-I96 HydrophobicContact CG-CG1 4.44Å; Y36-I191 HydrophobicContact CE1-CG2 4.17Å; Y36-I191 VanDerWaalsContact OH-CG2 3.31Å; Y36-I191 WeakPolarHBondContact OH-CG2 3.24Å | ||
| 37 | N | 92.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 107.9 | 166.9 | -177.1 | -17.1 | 0 | 0 | 0 | 109.4 | E91 R95 I96 | N37-E91 WeakPolarHBondContact CB-OE2 3.41Å; N37-E91 PolarHBondContact ND2-OE1 3.24Å; N37-R95 HydrophobicContact CB-CG 4.11Å; N37-R95 CarbonylContact O-C 3.57Å; N37-R95 WeakPolarHBondContact O-CA 3.49Å; N37-I96 PolarHBondContact O-N 2.95Å |
| 38 | V | 95.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.9 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | A28 L31 Q32 Y36 I96 I98 | A28-V38 HydrophobicContact CB-CG1 3.93Å; L31-V38 HydrophobicContact CB-CG2 3.61Å; L31-V38 HydrophobicContact CD1-CG2 4.4Å; Q32-V38 HydrophobicContact CG-CB 3.86Å; Q32-V38 HydrophobicContact CG-CG2 3.76Å; Q32-V38 PolarHBondContact NE2-O 3.27Å; Y36-V38 PolarHBondContact O-N 3.38Å; V38-I96 CarbonylContact C-O 3.59Å; V38-I96 WeakPolarHBondContact CA-O 3.37Å; V38-I96 HydrophobicContact CG2-CB 4.32Å; V38-I98 HydrophobicContact CG1-CD1 3.71Å; V38-I98 HydrophobicContact CG1-CG1 3.95Å |
| 39 | T | 96.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.5 | 167.5 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | F80 W84 I96 L97 I98 | T39-F80 HydrophobicContact CG2-CE1 4.44Å; T39-F80 HydrophobicContact CG2-CZ 4.11Å; T39-W84 VanDerWaalsContact CB-NE1 3.31Å; T39-W84 PolarHBondContact OG1-NE1 2.83Å; T39-I96 PolarHBondContact N-O 2.87Å; T39-L97 HydrophobicContact CG2-CD1 3.97Å; T39-L97 CarbonylContact O-C 3.57Å; T39-L97 WeakPolarHBondContact O-CA 3.41Å; T39-I98 PolarHBondContact O-N 2.84Å |
| 40 | C | 98.4 | Very high | 96 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.6 | 173.8 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | T24 I98 | T24-C40 HydrophobicContact CG2-CB 4.21Å; C40-I98 CarbonylContact C-O 3.56Å; C40-I98 WeakPolarHBondContact CA-O 3.44Å |
| 41 | L | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.6 | 175.7 | -176.9 | 66.2 | 0 | 0 | 0 | 109.4 | Y46 I77 F80 M81 L97 I98 I99 E100 | L41-Y46 HydrophobicContact CD1-CE2 3.47Å; L41-Y46 VanDerWaalsContact CD1-CE2 3.47Å; L41-Y46 HydrophobicContact CG-CE2 4.4Å; L41-I77 HydrophobicContact CD2-CG2 4.04Å; L41-F80 HydrophobicContact CB-CE1 4.3Å; L41-F80 HydrophobicContact CD1-CD1 3.73Å; L41-F80 HydrophobicContact CD1-CD2 4.25Å; L41-F80 HydrophobicContact CD1-CE1 3.89Å; L41-F80 HydrophobicContact CD1-CE2 4.38Å; L41-F80 HydrophobicContact CD1-CG 3.92Å; L41-F80 HydrophobicContact CD1-CZ 4.22Å; L41-F80 HydrophobicContact CD2-CD1 3.62Å; L41-F80 HydrophobicContact CD2-CE1 4.14Å; L41-F80 HydrophobicContact CD2-CG 4.3Å; L41-F80 HydrophobicContact CG-CD1 4.19Å; L41-F80 HydrophobicContact CG-CE1 4.35Å; L41-M81 HydrophobicContact CD2-CG 3.81Å; L41-M81 HydrophobicContact CD2-SD 4.47Å; L41-L97 HydrophobicContact CB-CD1 4.14Å; L41-I98 PolarHBondContact N-O 2.93Å; L41-I99 HydrophobicContact CB-CB 4.33Å; L41-I99 HydrophobicContact CB-CG1 4.36Å; L41-I99 HydrophobicContact CD2-CD1 3.98Å; L41-I99 HydrophobicContact CD2-CG1 4.14Å; L41-I99 HydrophobicContact CG-CG1 4.35Å; L41-I99 CarbonylContact O-C 3.55Å; L41-I99 VanDerWaalsContact O-CA 3.31Å; L41-I99 WeakPolarHBondContact O-CA 3.48Å; L41-E100 PolarHBondContact O-N 3.42Å |
| 42 | Q | 98.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.7 | -178.6 | -51.1 | -167.8 | -100.6 | 0 | 0 | 110.2 | D44 D45 Y46 E100 | Q42-D44 PolarHBondContact O-N 3.48Å; Q42-D45 PolarHBondContact O-N 3.31Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.34Å; Q42-E100 HydrophobicContact CG-CG 4.3Å; Q42-E100 PolarHBondContact NE2-OE1 3.49Å |
| 43 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.7 | -33.3 | 177.1 | -171 | -154.5 | 78.2 | 0 | 0 | 112.1 | D45 Y46 Y47 V72 W74 I77 E100 I102 L103 I104 | M43-D45 PolarHBondContact O-N 3.18Å; M43-Y46 PolarHBondContact O-N 3.4Å; M43-Y47 HydrophobicContact CE-CE1 4.4Å; M43-Y47 HydrophobicContact CE-CE2 4.12Å; M43-Y47 WeakPolarHBondContact CE-OH 3.45Å; M43-V72 HydrophobicContact CE-CG2 4.29Å; M43-V72 HydrophobicContact CG-CG1 4.06Å; M43-V72 HydrophobicContact SD-CG2 4.41Å; M43-W74 HydrophobicContact CG-CH2 4.28Å; M43-W74 HydrophobicContact CG-CZ3 4.28Å; M43-W74 HydrophobicContact SD-CH2 3.91Å; M43-W74 HydrophobicContact SD-CZ3 4.44Å; M43-I77 HydrophobicContact CB-CD1 4.36Å; M43-I77 HydrophobicContact CG-CD1 3.89Å; M43-E100 VanDerWaalsContact CB-O 3.27Å; M43-E100 WeakPolarHBondContact CB-O 3.41Å; M43-E100 PolarHBondContact N-O 3.08Å; M43-I102 HydrophobicContact CE-CD1 4.41Å; M43-I102 HydrophobicContact CE-CG1 3.47Å; M43-I102 VanDerWaalsContact CE-CG1 3.47Å; M43-I102 HydrophobicContact SD-CG1 4.32Å; M43-L103 HydrophobicContact SD-CB 3.82Å; M43-L103 PolarHBondContact SD-N 3.02Å; M43-I104 HydrophobicContact CB-CG2 3.7Å; M43-I104 HydrophobicContact CG-CG2 3.77Å; M43-I104 HydrophobicContact SD-CG2 3.94Å |
| 44 | D | 96 | Very high | 96 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.9 | -22.9 | -178.9 | -72.5 | 13.2 | 0 | 0 | 0 | 112.2 | Q42 Y46 Y47 R134 | Q42-D44 PolarHBondContact O-N 3.48Å; D44-Y46 PolarHBondContact O-N 3.03Å; D44-Y47 HydrophobicContact CB-CD2 4.32Å; D44-Y47 HydrophobicContact CB-CE2 4.21Å; D44-Y47 WeakPolarHBondContact O-CD2 3.49Å; D44-R134 IonicContact OD2-NH2 3.2Å |
| 45 | D | 96.9 | Very high | 96.1 | Very high | 118 Ų | 118 | 59.7 Ų | 59.7 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -76 | -11.9 | 176 | -64.8 | -25.9 | 0 | 0 | 0 | 113.1 | Q42 M43 | Q42-D45 PolarHBondContact O-N 3.31Å; M43-D45 PolarHBondContact O-N 3.18Å |
| 46 | Y | 98 | Very high | 96.4 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -107.7 | 15.7 | -177.5 | -70.2 | -99.2 | 0 | 0 | 0 | 112.3 | L41 Q42 M43 D44 D73 I77 | L41-Y46 HydrophobicContact CD1-CE2 3.47Å; L41-Y46 VanDerWaalsContact CD1-CE2 3.47Å; L41-Y46 HydrophobicContact CG-CE2 4.4Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.34Å; M43-Y46 PolarHBondContact O-N 3.4Å; D44-Y46 PolarHBondContact O-N 3.03Å; Y46-D73 HydrophobicContact CD1-CB 4.4Å; Y46-D73 WeakPolarHBondContact O-CB 3.3Å; Y46-D73 PolarHBondContact O-N 3.43Å; Y46-I77 HydrophobicContact CD1-CG1 3.66Å; Y46-I77 HydrophobicContact CD2-CD1 4.31Å; Y46-I77 HydrophobicContact CD2-CG1 3.72Å; Y46-I77 HydrophobicContact CE1-CG1 4.14Å; Y46-I77 HydrophobicContact CE2-CG1 4.22Å; Y46-I77 HydrophobicContact CG-CD1 4.07Å; Y46-I77 HydrophobicContact CG-CG1 3.41Å; Y46-I77 VanDerWaalsContact CG-CG1 3.41Å |
| 47 | Y | 97.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 137 | 169.3 | -82.4 | -58.9 | 0 | 0 | 0 | 111.5 | M43 D44 F66 A71 V72 I102 | M43-Y47 HydrophobicContact CE-CE1 4.4Å; M43-Y47 HydrophobicContact CE-CE2 4.12Å; M43-Y47 WeakPolarHBondContact CE-OH 3.45Å; D44-Y47 HydrophobicContact CB-CD2 4.32Å; D44-Y47 HydrophobicContact CB-CE2 4.21Å; D44-Y47 WeakPolarHBondContact O-CD2 3.49Å; Y47-F66 AromaticContact CD1-CD1 3.87Å; Y47-F66 HydrophobicContact CD1-CD1 3.87Å; Y47-F66 HydrophobicContact CE1-CB 4.16Å; Y47-F66 HydrophobicContact CE1-CD1 4.27Å; Y47-F66 WeakPolarHBondContact CE1-O 3.17Å; Y47-F66 HydrophobicContact CG-CD1 4.19Å; Y47-F66 PolarHBondContact OH-O 3.33Å; Y47-A71 HydrophobicContact CD1-CB 4Å; Y47-A71 WeakPolarHBondContact CD1-O 3.43Å; Y47-A71 HydrophobicContact CE1-CB 4.01Å; Y47-V72 HydrophobicContact CD1-CG2 3.92Å; Y47-V72 HydrophobicContact CE1-CG2 3.63Å; Y47-I102 WeakPolarHBondContact OH-CD1 3.46Å |
| 48 | W | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 62 Ų | 62 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63 | 146.5 | 169.9 | -63.5 | 121.4 | 0 | 0 | 0 | 111 | D52 R54 H55 A71 V72 D73 | W48-D52 HydrophobicContact CB-CB 3.71Å; W48-D52 HydrophobicContact CG-CB 4.48Å; W48-R54 VanDerWaalsContact CE2-NH1 3.28Å; W48-R54 VanDerWaalsContact CE3-CZ 3.47Å; W48-R54 VanDerWaalsContact CH2-CZ 3.46Å; W48-H55 PolarHBondContact O-NE2 2.98Å; W48-A71 VanDerWaalsContact CD1-C 3.45Å; W48-A71 VanDerWaalsContact CD1-O 3.26Å; W48-A71 PolarHBondContact N-O 2.95Å; W48-V72 PolarHBondContact NE1-O 3.42Å; W48-D73 HydrophobicContact CD2-CB 4.25Å; W48-D73 HydrophobicContact CE3-CB 4.24Å; W48-D73 HydrophobicContact CH2-CB 3.32Å; W48-D73 VanDerWaalsContact CH2-OD1 3.32Å; W48-D73 WeakPolarHBondContact CH2-OD1 3.36Å; W48-D73 WeakPolarHBondContact CH2-OD2 3.42Å; W48-D73 HydrophobicContact CZ2-CB 3.28Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.38Å; W48-D73 HydrophobicContact CZ3-CB 3.82Å |
| 49 | P | 95.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 150.6 | 175.5 | -25.9 | 33.9 | 0 | 0 | 0 | 112.2 | N51 D52 H55 | P49-N51 PolarHBondContact O-N 3.27Å; P49-D52 VanDerWaalsContact O-CB 3.24Å; P49-D52 WeakPolarHBondContact O-CB 3.38Å; P49-D52 PolarHBondContact O-N 3.4Å; P49-H55 PolarHBondContact O-CD2 2.93Å; P49-H55 VanDerWaalsContact O-CD2 3.26Å; P49-H55 PolarHBondContact O-NE2 3.32Å |
| 50 | H | 94.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 72.6 Ų | 72.6 | 27% | 0.269 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -37.3 | -174.5 | -174.9 | -89.8 | 0 | 0 | 0 | 114.8 | R57 E63 P64 | H50-R57 PolarHBondContact O-NH2 3.49Å; H50-E63 IonicContact CE1-OE2 2.69Å; H50-E63 IonicContact NE2-OE2 3.56Å; H50-E63 PolarHBondContact NE2-OE2 2.9Å; H50-E63 VanDerWaalsContact NE2-OE2 3.16Å; H50-P64 WeakPolarHBondContact NE2-CD 3.29Å |
| 51 | N | 94.5 | Very high | 96.2 | Very high | 135 Ų | 135 | 72.2 Ų | 72.2 | 72% | 0.722 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.3 | -175.8 | -63.8 | -22.8 | 0 | 0 | 0 | 113.7 | P49 | P49-N51 PolarHBondContact O-N 3.27Š|
| 52 | D | 97.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 77 Ų | 77 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | trans | -62.3 | 140.7 | 177.6 | -161.8 | -69.8 | 0 | 0 | 0 | 111.2 | W48 P49 R54 H55 | W48-D52 HydrophobicContact CB-CB 3.71Å; W48-D52 HydrophobicContact CG-CB 4.48Å; P49-D52 VanDerWaalsContact O-CB 3.24Å; P49-D52 WeakPolarHBondContact O-CB 3.38Å; P49-D52 PolarHBondContact O-N 3.4Å; D52-R54 PolarHBondContact O-N 3.32Å; D52-R54 WeakPolarHBondContact OD1-CB 3.24Å; D52-R54 WeakPolarHBondContact OD1-CG 3.49Å; D52-R54 IonicContact OD1-CZ 3.58Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 IonicContact OD1-NE 3.62Å; D52-R54 PolarHBondContact OD1-NE 3.14Å; D52-R54 IonicContact OD1-NH2 3.55Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 3.51Å; D52-R54 IonicContact OD2-NH2 2.83Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; D52-H55 PolarHBondContact O-CD2 3.33Å; D52-H55 PolarHBondContact O-N 2.95Å | ||
| 53 | K | 96.9 | Very high | 95.7 | Very high | 200 Ų | 200 | 77.1 Ų | 77.1 | 87% | 0.87 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.4 | -178.1 | 66 | 179.9 | -179.3 | 179.8 | 0 | 113.7 | H55 | K53-H55 VanDerWaalsContact C-N 3.28Š|
| 54 | R | 97 | Very high | 95.6 | Very high | 107 Ų | 107 | 77.2 Ų | 77.2 | 40% | 0.404 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16 | 179.2 | -72.3 | 168.3 | -77.7 | -166.2 | 3.7 | 113.2 | W48 D52 I56 S70 | W48-R54 VanDerWaalsContact CE2-NH1 3.28Å; W48-R54 VanDerWaalsContact CE3-CZ 3.47Å; W48-R54 VanDerWaalsContact CH2-CZ 3.46Å; D52-R54 PolarHBondContact O-N 3.32Å; D52-R54 WeakPolarHBondContact OD1-CB 3.24Å; D52-R54 WeakPolarHBondContact OD1-CG 3.49Å; D52-R54 IonicContact OD1-CZ 3.58Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 IonicContact OD1-NE 3.62Å; D52-R54 PolarHBondContact OD1-NE 3.14Å; D52-R54 IonicContact OD1-NH2 3.55Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 3.51Å; D52-R54 IonicContact OD2-NH2 2.83Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; R54-I56 PolarHBondContact O-N 3.24Å; R54-S70 WeakPolarHBondContact O-CB 3.31Å; R54-S70 PolarHBondContact O-OG 3.43Å |
| 55 | H | 96.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 75.2 Ų | 75.2 | 6% | 0.06 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -65.6 | 130.1 | 177 | -74.7 | -53.5 | 0 | 0 | 0 | 111.6 | W48 P49 D52 K53 R57 P64 F66 | W48-H55 PolarHBondContact O-NE2 2.98Å; P49-H55 PolarHBondContact O-CD2 2.93Å; P49-H55 VanDerWaalsContact O-CD2 3.26Å; P49-H55 PolarHBondContact O-NE2 3.32Å; D52-H55 PolarHBondContact O-CD2 3.33Å; D52-H55 PolarHBondContact O-N 2.95Å; K53-H55 VanDerWaalsContact C-N 3.28Å; H55-R57 PolarHBondContact O-N 3.43Å; H55-P64 HydrophobicContact CB-CB 3.66Å; H55-F66 AromaticContact CE1-CD1 3.89Å; H55-F66 AromaticContact CE1-CE1 3.59Å; H55-F66 AromaticContact NE2-CE1 3.84Å |
| 56 | I | 96.6 | Very high | 95.5 | Very high | 101 Ų | 101 | 71.9 Ų | 71.9 | 52% | 0.518 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 120.6 | 161.9 | -64.5 | 169.2 | 0 | 0 | 0 | 106.6 | R54 N65 S70 | R54-I56 PolarHBondContact O-N 3.24Å; I56-N65 WeakPolarHBondContact O-CB 3.1Å; I56-N65 PolarHBondContact O-N 3.09Å; I56-S70 WeakPolarHBondContact CG1-OG 3.33Å |
| 57 | R | 95.9 | Very high | 95.4 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 145.4 | -178.7 | -66.9 | -179.1 | 177.8 | -79.4 | -12.5 | 111.6 | H50 H55 N62 E63 | H50-R57 PolarHBondContact O-NH2 3.49Å; H55-R57 PolarHBondContact O-N 3.43Å; R57-N62 WeakPolarHBondContact CD-O 3.35Å; R57-N62 WeakPolarHBondContact CD-OD1 3.29Å; R57-N62 PolarHBondContact NH1-O 3.34Å; R57-E63 CarbonylContact C-O 3.56Å; R57-E63 WeakPolarHBondContact CA-O 3.3Å |
| 58 | D | 94.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -64 | 128 | 170.4 | -179.3 | -72.3 | 0 | 0 | 0 | 109.6 | I60 T61 N62 E63 K147 Y148 | D58-I60 PolarHBondContact O-N 2.98Å; D58-I60 WeakPolarHBondContact OD1-CA 3.47Å; D58-I60 WeakPolarHBondContact OD1-CB 3.22Å; D58-I60 PolarHBondContact OD1-N 3.12Å; D58-T61 VanDerWaalsContact CB-OG1 3.25Å; D58-T61 WeakPolarHBondContact CB-OG1 3.37Å; D58-T61 VanDerWaalsContact CG-OG1 3.23Å; D58-T61 PolarHBondContact OD1-N 3.42Å; D58-T61 PolarHBondContact OD1-OG1 3.39Å; D58-T61 VanDerWaalsContact OD1-OG1 3.14Å; D58-N62 WeakPolarHBondContact O-CA 3.38Å; D58-N62 PolarHBondContact O-N 2.95Å; D58-E63 PolarHBondContact N-O 3.23Å; D58-K147 IonicContact OD1-NZ 3.8Å; D58-K147 WeakPolarHBondContact OD2-CE 3.39Å; D58-K147 IonicContact OD2-NZ 2.64Å; D58-K147 PolarHBondContact OD2-NZ 2.76Å; D58-Y148 HydrophobicContact CB-CE2 4.19Å; D58-Y148 WeakPolarHBondContact CB-OH 3.14Å; D58-Y148 WeakPolarHBondContact OD2-CE2 3.36Å; D58-Y148 PolarHBondContact OD2-OH 2.83Å |
| 59 | P | 94.8 | Very high | 95.3 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 77% | 0.773 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15 | -173.8 | 27.5 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 60 | I | 92.9 | Very high | 95.4 | Very high | 147 Ų | 147 | 65.9 Ų | 65.9 | 75% | 0.754 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -48.1 | -178.2 | -61.1 | 172.1 | 0 | 0 | 0 | 110 | D58 | D58-I60 PolarHBondContact O-N 2.98Å; D58-I60 WeakPolarHBondContact OD1-CA 3.47Å; D58-I60 WeakPolarHBondContact OD1-CB 3.22Å; D58-I60 PolarHBondContact OD1-N 3.12Å |
| 61 | T | 92.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -16 | -174.7 | 59.7 | 0 | 0 | 0 | 0 | 113 | D58 E63 P141 | D58-T61 VanDerWaalsContact CB-OG1 3.25Å; D58-T61 WeakPolarHBondContact CB-OG1 3.37Å; D58-T61 VanDerWaalsContact CG-OG1 3.23Å; D58-T61 PolarHBondContact OD1-N 3.42Å; D58-T61 PolarHBondContact OD1-OG1 3.39Å; D58-T61 VanDerWaalsContact OD1-OG1 3.14Å; T61-E63 PolarHBondContact O-N 3.45Å; T61-E63 VanDerWaalsContact O-N 3.15Å; T61-P141 HydrophobicContact CG2-CB 4.27Å |
| 62 | N | 93.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | trans | 60 | 11.6 | -172 | -164.8 | 42.1 | 0 | 0 | 0 | 114.4 | R57 D58 | R57-N62 WeakPolarHBondContact CD-O 3.35Å; R57-N62 WeakPolarHBondContact CD-OD1 3.29Å; R57-N62 PolarHBondContact NH1-O 3.34Å; D58-N62 WeakPolarHBondContact O-CA 3.38Å; D58-N62 PolarHBondContact O-N 2.95Å | ||
| 63 | E | 93.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | -79.2 | 142.9 | 176.6 | -65.8 | -58.7 | 157.1 | 0 | 0 | 110.9 | H50 R57 D58 T61 P141 | H50-E63 IonicContact CE1-OE2 2.69Å; H50-E63 IonicContact NE2-OE2 3.56Å; H50-E63 PolarHBondContact NE2-OE2 2.9Å; H50-E63 VanDerWaalsContact NE2-OE2 3.16Å; R57-E63 CarbonylContact C-O 3.56Å; R57-E63 WeakPolarHBondContact CA-O 3.3Å; D58-E63 PolarHBondContact N-O 3.23Å; T61-E63 PolarHBondContact O-N 3.45Å; T61-E63 VanDerWaalsContact O-N 3.15Å; E63-P141 HydrophobicContact CB-CG 3.98Å; E63-P141 HydrophobicContact CG-CB 4.18Å; E63-P141 HydrophobicContact CG-CG 4.06Å | ||
| 64 | P | 95.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 140.3 | 177.6 | 30.7 | -33.6 | 0 | 0 | 0 | 111.4 | H50 H55 F66 | H50-P64 WeakPolarHBondContact NE2-CD 3.29Å; H55-P64 HydrophobicContact CB-CB 3.66Å; P64-F66 HydrophobicContact CB-CE2 4.28Å; P64-F66 HydrophobicContact CB-CZ 4.38Å; P64-F66 HydrophobicContact CG-CD2 4.18Å; P64-F66 HydrophobicContact CG-CE2 3.47Å; P64-F66 VanDerWaalsContact CG-CE2 3.47Å; P64-F66 HydrophobicContact CG-CZ 3.7Å; P64-F66 PolarHBondContact O-N 3.47Å |
| 65 | N | 95.5 | Very high | 95.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | trans | -83.7 | 100.5 | 169.1 | 176.9 | 16.2 | 0 | 0 | 0 | 110.1 | I56 D67 C68 Y144 Y148 | I56-N65 WeakPolarHBondContact O-CB 3.1Å; I56-N65 PolarHBondContact O-N 3.09Å; N65-D67 VanDerWaalsContact C-N 3.3Å; N65-D67 WeakPolarHBondContact OD1-CA 3.32Å; N65-D67 PolarHBondContact OD1-N 2.86Å; N65-C68 PolarHBondContact O-SG 3.18Å; N65-Y144 PolarHBondContact OD1-OH 3.42Å; N65-Y148 HydrophobicContact CB-CD1 4.2Å; N65-Y148 HydrophobicContact CB-CE1 4.32Å; N65-Y148 HydrophobicContact CB-CG 4.44Å; N65-Y148 VanDerWaalsContact ND2-CD1 3.26Å; N65-Y148 WeakPolarHBondContact ND2-CD1 3.5Å | ||
| 66 | F | 95.7 | Very high | 95.9 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76.5 | -13.5 | 174.9 | -69.6 | -75.9 | 0 | 0 | 0 | 113.8 | Y47 H55 P64 C68 A71 Y144 | Y47-F66 AromaticContact CD1-CD1 3.87Å; Y47-F66 HydrophobicContact CD1-CD1 3.87Å; Y47-F66 HydrophobicContact CE1-CB 4.16Å; Y47-F66 HydrophobicContact CE1-CD1 4.27Å; Y47-F66 WeakPolarHBondContact CE1-O 3.17Å; Y47-F66 HydrophobicContact CG-CD1 4.19Å; Y47-F66 PolarHBondContact OH-O 3.33Å; H55-F66 AromaticContact CE1-CD1 3.89Å; H55-F66 AromaticContact CE1-CE1 3.59Å; H55-F66 AromaticContact NE2-CE1 3.84Å; P64-F66 HydrophobicContact CB-CE2 4.28Å; P64-F66 HydrophobicContact CB-CZ 4.38Å; P64-F66 HydrophobicContact CG-CD2 4.18Å; P64-F66 HydrophobicContact CG-CE2 3.47Å; P64-F66 VanDerWaalsContact CG-CE2 3.47Å; P64-F66 HydrophobicContact CG-CZ 3.7Å; P64-F66 PolarHBondContact O-N 3.47Å; F66-C68 PolarHBondContact O-N 2.99Å; F66-A71 HydrophobicContact CD1-CB 4.47Å; F66-Y144 PolarHBondContact N-OH 2.74Å |
| 67 | D | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -93.3 | 45.1 | 177.8 | -61.5 | -114.1 | 0 | 0 | 0 | 109.8 | N65 I102 R131 Y144 T152 | N65-D67 VanDerWaalsContact C-N 3.3Å; N65-D67 WeakPolarHBondContact OD1-CA 3.32Å; N65-D67 PolarHBondContact OD1-N 2.86Å; D67-I102 HydrophobicContact CB-CD1 4.44Å; D67-R131 IonicContact OD1-NH1 3.5Å; D67-R131 PolarHBondContact OD1-NH1 3.43Å; D67-R131 IonicContact OD2-NH1 3.64Å; D67-R131 IonicContact OD2-NH2 2.71Å; D67-Y144 PolarHBondContact N-OH 2.96Å; D67-Y144 WeakPolarHBondContact OD2-CE1 3.43Å; D67-Y144 PolarHBondContact OD2-OH 2.9Å; D67-T152 HydrophobicContact CB-CG2 4.34Å; D67-T152 WeakPolarHBondContact O-CB 3.47Å; D67-T152 VanDerWaalsContact O-CG2 3.25Å; D67-T152 WeakPolarHBondContact O-CG2 3.38Å; D67-T152 PolarHBondContact O-OG1 3.28Å |
| 68 | C | 95.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -145.2 | 159.5 | 173.7 | 75 | 0 | 0 | 0 | 0 | 113.5 | N65 F66 S70 A71 | N65-C68 PolarHBondContact O-SG 3.18Å; F66-C68 PolarHBondContact O-N 2.99Å; C68-S70 VanDerWaalsContact C-N 3.3Å; C68-S70 PolarHBondContact O-N 2.98Å; C68-S70 PolarHBondContact SG-OG 3.41Å; C68-A71 WeakPolarHBondContact O-CB 3.4Å; C68-A71 PolarHBondContact O-N 3.41Å; C68-A71 VanDerWaalsContact O-N 3.16Å |
| 69 | E | 96.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -58.4 | -37.5 | -176.2 | -64.6 | -68.9 | 132.1 | 0 | 0 | 113.3 | A71 V72 W74 N106 K107 | E69-A71 PolarHBondContact O-N 2.92Å; E69-V72 PolarHBondContact O-N 3.08Å; E69-W74 PolarHBondContact O-NE1 3.38Å; E69-W74 WeakPolarHBondContact OE2-CZ2 3.22Å; E69-N106 WeakPolarHBondContact OE1-CB 3.45Å; E69-N106 PolarHBondContact OE1-ND2 3.49Å; E69-K107 WeakPolarHBondContact OE2-CD 3.45Å; E69-K107 WeakPolarHBondContact OE2-CE 3.35Å; E69-K107 IonicContact OE2-NZ 3.6Å; E69-K107 PolarHBondContact OE2-NZ 3.11Å |
| 70 | S | 96.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -71.6 | -13.4 | -176.8 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | R54 I56 C68 V72 | R54-S70 WeakPolarHBondContact O-CB 3.31Å; R54-S70 PolarHBondContact O-OG 3.43Å; I56-S70 WeakPolarHBondContact CG1-OG 3.33Å; C68-S70 VanDerWaalsContact C-N 3.3Å; C68-S70 PolarHBondContact O-N 2.98Å; C68-S70 PolarHBondContact SG-OG 3.41Å; S70-V72 VanDerWaalsContact C-N 3.3Å |
| 71 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -77.9 | -14.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y47 W48 F66 C68 E69 | Y47-A71 HydrophobicContact CD1-CB 4Å; Y47-A71 WeakPolarHBondContact CD1-O 3.43Å; Y47-A71 HydrophobicContact CE1-CB 4.01Å; W48-A71 VanDerWaalsContact CD1-C 3.45Å; W48-A71 VanDerWaalsContact CD1-O 3.26Å; W48-A71 PolarHBondContact N-O 2.95Å; F66-A71 HydrophobicContact CD1-CB 4.47Å; C68-A71 WeakPolarHBondContact O-CB 3.4Å; C68-A71 PolarHBondContact O-N 3.41Å; C68-A71 VanDerWaalsContact O-N 3.16Å; E69-A71 PolarHBondContact O-N 2.92Å |
| 72 | V | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -109.4 | 140.6 | -171.4 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | M43 Y47 W48 E69 S70 W74 I77 | M43-V72 HydrophobicContact CE-CG2 4.29Å; M43-V72 HydrophobicContact CG-CG1 4.06Å; M43-V72 HydrophobicContact SD-CG2 4.41Å; Y47-V72 HydrophobicContact CD1-CG2 3.92Å; Y47-V72 HydrophobicContact CE1-CG2 3.63Å; W48-V72 PolarHBondContact NE1-O 3.42Å; E69-V72 PolarHBondContact O-N 3.08Å; S70-V72 VanDerWaalsContact C-N 3.3Å; V72-W74 VanDerWaalsContact C-N 3.34Å; V72-W74 HydrophobicContact CB-CD2 4.11Å; V72-W74 HydrophobicContact CB-CH2 4.21Å; V72-W74 HydrophobicContact CB-CZ2 3.7Å; V72-W74 HydrophobicContact CG1-CD2 3.93Å; V72-W74 HydrophobicContact CG1-CE3 3.95Å; V72-W74 HydrophobicContact CG1-CH2 4.01Å; V72-W74 HydrophobicContact CG1-CZ2 3.99Å; V72-W74 HydrophobicContact CG1-CZ3 3.98Å; V72-W74 HydrophobicContact CG2-CH2 4.26Å; V72-W74 HydrophobicContact CG2-CZ2 3.87Å; V72-W74 PolarHBondContact O-N 3.44Å; V72-W74 VanDerWaalsContact O-N 3.12Å; V72-I77 HydrophobicContact CG1-CD1 3.84Å |
| 73 | D | 98.2 | Very high | 97 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.203 | 20% | 0.202 | C | C | . | . | trans | -77.8 | 78.6 | 167.3 | -173.4 | 8.7 | 0 | 0 | 0 | 111.6 | Y46 W48 E75 G76 I77 | Y46-D73 HydrophobicContact CD1-CB 4.4Å; Y46-D73 WeakPolarHBondContact O-CB 3.3Å; Y46-D73 PolarHBondContact O-N 3.43Å; W48-D73 HydrophobicContact CD2-CB 4.25Å; W48-D73 HydrophobicContact CE3-CB 4.24Å; W48-D73 HydrophobicContact CH2-CB 3.32Å; W48-D73 VanDerWaalsContact CH2-OD1 3.32Å; W48-D73 WeakPolarHBondContact CH2-OD1 3.36Å; W48-D73 WeakPolarHBondContact CH2-OD2 3.42Å; W48-D73 HydrophobicContact CZ2-CB 3.28Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.38Å; W48-D73 HydrophobicContact CZ3-CB 3.82Å; D73-E75 VanDerWaalsContact C-N 3.26Å; D73-E75 PolarHBondContact O-N 2.86Å; D73-E75 PolarHBondContact OD1-N 2.78Å; D73-G76 PolarHBondContact O-N 2.8Å; D73-G76 PolarHBondContact OD1-N 2.99Å; D73-I77 PolarHBondContact O-N 3.11Å | ||
| 74 | W | 98.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 37 Ų | 37 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -32.8 | 177.6 | -61 | 111 | 0 | 0 | 0 | 113.1 | M43 E69 V72 G76 I77 I78 L103 K107 L110 | M43-W74 HydrophobicContact CG-CH2 4.28Å; M43-W74 HydrophobicContact CG-CZ3 4.28Å; M43-W74 HydrophobicContact SD-CH2 3.91Å; M43-W74 HydrophobicContact SD-CZ3 4.44Å; E69-W74 PolarHBondContact O-NE1 3.38Å; E69-W74 WeakPolarHBondContact OE2-CZ2 3.22Å; V72-W74 VanDerWaalsContact C-N 3.34Å; V72-W74 HydrophobicContact CB-CD2 4.11Å; V72-W74 HydrophobicContact CB-CH2 4.21Å; V72-W74 HydrophobicContact CB-CZ2 3.7Å; V72-W74 HydrophobicContact CG1-CD2 3.93Å; V72-W74 HydrophobicContact CG1-CE3 3.95Å; V72-W74 HydrophobicContact CG1-CH2 4.01Å; V72-W74 HydrophobicContact CG1-CZ2 3.99Å; V72-W74 HydrophobicContact CG1-CZ3 3.98Å; V72-W74 HydrophobicContact CG2-CH2 4.26Å; V72-W74 HydrophobicContact CG2-CZ2 3.87Å; V72-W74 PolarHBondContact O-N 3.44Å; V72-W74 VanDerWaalsContact O-N 3.12Å; W74-G76 VanDerWaalsContact C-N 3.34Å; W74-I77 HydrophobicContact CE3-CD1 3.96Å; W74-I77 HydrophobicContact CZ3-CD1 3.98Å; W74-I77 PolarHBondContact O-N 2.93Å; W74-I78 WeakPolarHBondContact O-CB 3.38Å; W74-I78 WeakPolarHBondContact O-CD1 3.38Å; W74-I78 VanDerWaalsContact O-CG1 3.24Å; W74-I78 WeakPolarHBondContact O-CG1 3.43Å; W74-I78 PolarHBondContact O-N 3.23Å; W74-L103 HydrophobicContact CH2-CB 3.72Å; W74-L103 HydrophobicContact CZ2-CB 3.99Å; W74-K107 HydrophobicContact CD2-CD 4.44Å; W74-K107 VanDerWaalsContact CD2-CE 3.47Å; W74-K107 HydrophobicContact CD2-CG 4.04Å; W74-K107 VanDerWaalsContact CE2-CE 3.44Å; W74-K107 HydrophobicContact CE3-CG 4.01Å; W74-K107 HydrophobicContact CH2-CG 4.5Å; W74-K107 HydrophobicContact CZ3-CG 4.26Å; W74-K107 VanDerWaalsContact NE1-CE 3.35Å; W74-L110 HydrophobicContact CE3-CD1 3.82Å; W74-L110 HydrophobicContact CZ3-CD1 3.73Å |
| 75 | E | 97.6 | Very high | 96.9 | Very high | 152 Ų | 152 | 39.6 Ų | 39.6 | 71% | 0.71 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.8 | -41.8 | 178.4 | -173.1 | 178.6 | 176.6 | 0 | 0 | 110.3 | D73 I78 T79 | D73-E75 VanDerWaalsContact C-N 3.26Å; D73-E75 PolarHBondContact O-N 2.86Å; D73-E75 PolarHBondContact OD1-N 2.78Å; E75-I78 PolarHBondContact O-N 2.99Å; E75-T79 WeakPolarHBondContact O-CB 3.35Å; E75-T79 PolarHBondContact O-N 3.41Å; E75-T79 PolarHBondContact O-OG1 3.26Å |
| 76 | G | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | D73 W74 F80 | D73-G76 PolarHBondContact O-N 2.8Å; D73-G76 PolarHBondContact OD1-N 2.99Å; W74-G76 VanDerWaalsContact C-N 3.34Å; G76-F80 WeakPolarHBondContact O-CB 3.39Å; G76-F80 PolarHBondContact O-N 3.48Å |
| 77 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -51 | 177.7 | -66.8 | 178.1 | 0 | 0 | 0 | 110.9 | L41 M43 Y46 V72 D73 W74 T79 F80 M81 I99 L110 | L41-I77 HydrophobicContact CD2-CG2 4.04Å; M43-I77 HydrophobicContact CB-CD1 4.36Å; M43-I77 HydrophobicContact CG-CD1 3.89Å; Y46-I77 HydrophobicContact CD1-CG1 3.66Å; Y46-I77 HydrophobicContact CD2-CD1 4.31Å; Y46-I77 HydrophobicContact CD2-CG1 3.72Å; Y46-I77 HydrophobicContact CE1-CG1 4.14Å; Y46-I77 HydrophobicContact CE2-CG1 4.22Å; Y46-I77 HydrophobicContact CG-CD1 4.07Å; Y46-I77 HydrophobicContact CG-CG1 3.41Å; Y46-I77 VanDerWaalsContact CG-CG1 3.41Å; V72-I77 HydrophobicContact CG1-CD1 3.84Å; D73-I77 PolarHBondContact O-N 3.11Å; W74-I77 HydrophobicContact CE3-CD1 3.96Å; W74-I77 HydrophobicContact CZ3-CD1 3.98Å; W74-I77 PolarHBondContact O-N 2.93Å; I77-T79 VanDerWaalsContact C-N 3.32Å; I77-T79 PolarHBondContact O-N 3.46Å; I77-F80 WeakPolarHBondContact O-CB 3.39Å; I77-F80 PolarHBondContact O-N 2.97Å; I77-M81 HydrophobicContact CG2-SD 4.17Å; I77-M81 WeakPolarHBondContact O-CG 3.32Å; I77-M81 PolarHBondContact O-N 3.19Å; I77-I99 HydrophobicContact CG2-CD1 3.71Å; I77-L110 HydrophobicContact CG2-CD1 4.18Å; I77-L110 HydrophobicContact CG2-CD2 3.97Å |
| 78 | I | 98.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | -177.8 | -69.6 | 162 | 0 | 0 | 0 | 110.4 | W74 E75 M81 K82 E109 L110 | W74-I78 WeakPolarHBondContact O-CB 3.38Å; W74-I78 WeakPolarHBondContact O-CD1 3.38Å; W74-I78 VanDerWaalsContact O-CG1 3.24Å; W74-I78 WeakPolarHBondContact O-CG1 3.43Å; W74-I78 PolarHBondContact O-N 3.23Å; E75-I78 PolarHBondContact O-N 2.99Å; I78-M81 PolarHBondContact O-N 3.4Å; I78-K82 HydrophobicContact CG2-CD 3.94Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 HydrophobicContact CG2-CG 4.47Å; I78-K82 WeakPolarHBondContact O-CG 3.4Å; I78-K82 PolarHBondContact O-N 3.27Å; I78-E109 HydrophobicContact CD1-CG 4.45Å; I78-E109 WeakPolarHBondContact CD1-OE2 3.24Å; I78-L110 HydrophobicContact CG1-CD2 3.67Å; I78-L110 HydrophobicContact CG1-CG 4.47Å |
| 79 | T | 98.2 | Very high | 94.4 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | E75 I77 M81 K82 L83 | E75-T79 WeakPolarHBondContact O-CB 3.35Å; E75-T79 PolarHBondContact O-N 3.41Å; E75-T79 PolarHBondContact O-OG1 3.26Å; I77-T79 VanDerWaalsContact C-N 3.32Å; I77-T79 PolarHBondContact O-N 3.46Å; T79-M81 VanDerWaalsContact C-N 3.34Å; T79-M81 PolarHBondContact O-N 2.85Å; T79-K82 PolarHBondContact O-N 2.94Å; T79-L83 HydrophobicContact CG2-CD1 3.92Å; T79-L83 HydrophobicContact CG2-CG 4.38Å; T79-L83 WeakPolarHBondContact O-CB 3.37Å; T79-L83 WeakPolarHBondContact O-CG 3.33Å; T79-L83 PolarHBondContact O-N 2.99Å |
| 80 | F | 98.2 | Very high | 93 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | 175.8 | 179.3 | -79.9 | 0 | 0 | 0 | 111.3 | T39 L41 G76 I77 K82 L83 W84 L97 | T39-F80 HydrophobicContact CG2-CE1 4.44Å; T39-F80 HydrophobicContact CG2-CZ 4.11Å; L41-F80 HydrophobicContact CB-CE1 4.3Å; L41-F80 HydrophobicContact CD1-CD1 3.73Å; L41-F80 HydrophobicContact CD1-CD2 4.25Å; L41-F80 HydrophobicContact CD1-CE1 3.89Å; L41-F80 HydrophobicContact CD1-CE2 4.38Å; L41-F80 HydrophobicContact CD1-CG 3.92Å; L41-F80 HydrophobicContact CD1-CZ 4.22Å; L41-F80 HydrophobicContact CD2-CD1 3.62Å; L41-F80 HydrophobicContact CD2-CE1 4.14Å; L41-F80 HydrophobicContact CD2-CG 4.3Å; L41-F80 HydrophobicContact CG-CD1 4.19Å; L41-F80 HydrophobicContact CG-CE1 4.35Å; G76-F80 WeakPolarHBondContact O-CB 3.39Å; G76-F80 PolarHBondContact O-N 3.48Å; I77-F80 WeakPolarHBondContact O-CB 3.39Å; I77-F80 PolarHBondContact O-N 2.97Å; F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 2.88Å; F80-L83 PolarHBondContact O-N 3.18Å; F80-W84 HydrophobicContact CD1-CB 4.46Å; F80-W84 HydrophobicContact CE1-CB 4.24Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.49Å; F80-W84 PolarHBondContact O-N 3.2Å; F80-L97 HydrophobicContact CE1-CD1 4.16Å |
| 81 | M | 97.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | -177.6 | -67.9 | -176.9 | 69 | 0 | 0 | 112.3 | V9 L41 I77 I78 T79 W84 S85 L97 I99 L110 M113 | V9-M81 HydrophobicContact CG1-CE 3.82Å; L41-M81 HydrophobicContact CD2-CG 3.81Å; L41-M81 HydrophobicContact CD2-SD 4.47Å; I77-M81 HydrophobicContact CG2-SD 4.17Å; I77-M81 WeakPolarHBondContact O-CG 3.32Å; I77-M81 PolarHBondContact O-N 3.19Å; I78-M81 PolarHBondContact O-N 3.4Å; T79-M81 VanDerWaalsContact C-N 3.34Å; T79-M81 PolarHBondContact O-N 2.85Å; M81-W84 PolarHBondContact O-N 2.98Å; M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 2.84Å; M81-L97 HydrophobicContact CB-CD2 4.5Å; M81-L97 HydrophobicContact CE-CD2 4.08Å; M81-L97 HydrophobicContact CG-CD2 3.95Å; M81-I99 HydrophobicContact CE-CG2 4.46Å; M81-I99 HydrophobicContact SD-CD1 3.76Å; M81-L110 HydrophobicContact SD-CD2 3.67Å; M81-M113 HydrophobicContact CB-CE 3.39Å; M81-M113 HydrophobicContact CB-SD 4.4Å; M81-M113 HydrophobicContact CE-CB 3.73Å; M81-M113 HydrophobicContact CE-CE 4.18Å; M81-M113 HydrophobicContact CE-SD 4.32Å; M81-M113 HydrophobicContact CG-CE 4.49Å; M81-M113 HydrophobicContact SD-CE 4.44Å; M81-M113 HydrophobicContact SD-SD 4.41Å |
| 82 | K | 96.6 | Very high | 90.1 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 174.6 | -73.5 | 174.5 | -178.7 | 165.5 | 0 | 111.3 | I78 T79 F80 W84 S85 E86 E109 M113 | I78-K82 HydrophobicContact CG2-CD 3.94Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 HydrophobicContact CG2-CG 4.47Å; I78-K82 WeakPolarHBondContact O-CG 3.4Å; I78-K82 PolarHBondContact O-N 3.27Å; T79-K82 PolarHBondContact O-N 2.94Å; F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 2.88Å; K82-W84 VanDerWaalsContact C-N 3.32Å; K82-W84 PolarHBondContact O-N 2.73Å; K82-S85 PolarHBondContact O-N 3.39Å; K82-S85 VanDerWaalsContact O-N 3.12Å; K82-E86 WeakPolarHBondContact O-CG 3.37Å; K82-E86 PolarHBondContact O-N 3.46Å; K82-E109 IonicContact NZ-OE1 3.14Å; K82-E109 PolarHBondContact NZ-OE1 2.78Å; K82-M113 HydrophobicContact CG-CE 4.07Å |
| 83 | L | 96.1 | Very high | 88.9 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 176.8 | -69.8 | 174.4 | 0 | 0 | 0 | 112.4 | T79 F80 S85 E86 S87 | T79-L83 HydrophobicContact CG2-CD1 3.92Å; T79-L83 HydrophobicContact CG2-CG 4.38Å; T79-L83 WeakPolarHBondContact O-CB 3.37Å; T79-L83 WeakPolarHBondContact O-CG 3.33Å; T79-L83 PolarHBondContact O-N 2.99Å; F80-L83 PolarHBondContact O-N 3.18Å; L83-S85 VanDerWaalsContact C-N 3.33Å; L83-E86 PolarHBondContact O-N 3.46Å; L83-S87 PolarHBondContact O-N 3.36Å |
| 84 | W | 95.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.5 | 179.6 | 98.1 | 0 | 0 | 0 | 111.3 | Q7 V9 T39 F80 M81 K82 S87 R95 L97 | Q7-W84 HydrophobicContact CB-CH2 4.1Å; Q7-W84 HydrophobicContact CB-CZ3 4.01Å; Q7-W84 HydrophobicContact CG-CH2 4.15Å; Q7-W84 HydrophobicContact CG-CZ3 4.05Å; V9-W84 HydrophobicContact CG2-CZ3 4.11Å; T39-W84 VanDerWaalsContact CB-NE1 3.31Å; T39-W84 PolarHBondContact OG1-NE1 2.83Å; F80-W84 HydrophobicContact CD1-CB 4.46Å; F80-W84 HydrophobicContact CE1-CB 4.24Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.49Å; F80-W84 PolarHBondContact O-N 3.2Å; M81-W84 PolarHBondContact O-N 2.98Å; K82-W84 VanDerWaalsContact C-N 3.32Å; K82-W84 PolarHBondContact O-N 2.73Å; W84-S87 PolarHBondContact O-OG 3.42Å; W84-R95 VanDerWaalsContact CD1-CZ 3.43Å; W84-R95 VanDerWaalsContact CD1-NH1 3.32Å; W84-R95 VanDerWaalsContact CE2-CZ 3.42Å; W84-R95 HydrophobicContact CH2-CG 4.43Å; W84-R95 HydrophobicContact CZ2-CB 4.32Å; W84-R95 HydrophobicContact CZ2-CG 3.74Å; W84-R95 VanDerWaalsContact NE1-NH1 3.15Å; W84-R95 VanDerWaalsContact NE1-NH2 3.11Å; W84-R95 PolarHBondContact O-NH1 3.48Å; W84-L97 HydrophobicContact CD2-CB 4.01Å; W84-L97 HydrophobicContact CD2-CD2 4.11Å; W84-L97 HydrophobicContact CD2-CG 4.45Å; W84-L97 HydrophobicContact CE3-CB 4.1Å; W84-L97 HydrophobicContact CE3-CD2 4.13Å; W84-L97 HydrophobicContact CG-CD2 4.41Å; W84-L97 HydrophobicContact CH2-CB 3.69Å; W84-L97 HydrophobicContact CZ2-CB 3.55Å; W84-L97 HydrophobicContact CZ3-CB 3.95Å |
| 85 | S | 92.7 | Very high | 88 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.5 | -36 | 178 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | Q7 M81 K82 L83 S87 | Q7-S85 PolarHBondContact NE2-O 3.32Å; Q7-S85 VanDerWaalsContact OE1-CA 3.3Å; Q7-S85 PolarHBondContact OE1-O 3.19Å; Q7-S85 PolarHBondContact OE1-OG 2.9Å; M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 2.84Å; K82-S85 PolarHBondContact O-N 3.39Å; K82-S85 VanDerWaalsContact O-N 3.12Å; L83-S85 VanDerWaalsContact C-N 3.33Å; S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 3.34Å |
| 86 | E | 90.9 | Very high | 87.9 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 66% | 0.659 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78.1 | -17 | 178.7 | -70.3 | 170.7 | -177.6 | 0 | 0 | 113.3 | K82 L83 Q88 | K82-E86 WeakPolarHBondContact O-CG 3.37Å; K82-E86 PolarHBondContact O-N 3.46Å; L83-E86 PolarHBondContact O-N 3.46Å; E86-Q88 PolarHBondContact O-N 3.37Å; E86-Q88 VanDerWaalsContact O-N 3.08Å |
| 87 | S | 87.7 | Confident | 87.9 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -63 | 114.1 | 178.9 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | L83 W84 S85 V89 R95 | L83-S87 PolarHBondContact O-N 3.36Å; W84-S87 PolarHBondContact O-OG 3.42Å; S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 3.34Å; S87-V89 PolarHBondContact O-N 2.96Å; S87-R95 PolarHBondContact OG-NH1 3.22Å |
| 88 | Q | 73.5 | Confident | 87.9 | Confident | 159 Ų | 159 | 62.5 Ų | 62.5 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | trans | -74.3 | 96.7 | 178.9 | -65 | -170.5 | 5.2 | 0 | 0 | 109.6 | L4 E86 | L4-Q88 HydrophobicContact CD2-CB 3.7Å; L4-Q88 HydrophobicContact CD2-CG 3.73Å; E86-Q88 PolarHBondContact O-N 3.37Å; E86-Q88 VanDerWaalsContact O-N 3.08Å | ||
| 89 | V | 76.9 | Confident | 87.9 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | trans | -98.8 | 119.9 | 170.4 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | A5 S87 E91 | A5-V89 HydrophobicContact CB-CB 4.26Å; A5-V89 HydrophobicContact CB-CG1 4.47Å; A5-V89 VanDerWaalsContact CB-O 3.31Å; A5-V89 WeakPolarHBondContact CB-O 3.43Å; A5-V89 PolarHBondContact N-O 2.78Å; S87-V89 PolarHBondContact O-N 2.96Å; V89-E91 HydrophobicContact CG1-CB 4.24Å; V89-E91 HydrophobicContact CG1-CG 3.77Å; V89-E91 PolarHBondContact O-N 2.73Å | ||
| 90 | L | 68.5 | Low | 87.9 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 55% | 0.55 | 29% | 0.288 | S | S | . | . | trans | -85.2 | 94.3 | 170.7 | -60.7 | -178.4 | 0 | 0 | 0 | 107.5 | D2 | D2-L90 HydrophobicContact CB-CD1 3.99Å; D2-L90 HydrophobicContact CB-CD2 3.75Å; D2-L90 HydrophobicContact CB-CG 4.34Å | ||
| 91 | E | 67.4 | Low | 87.9 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | trans | -138.1 | 143.7 | 171.9 | -81.3 | 179.8 | -149.2 | 0 | 0 | 109.2 | A5 N37 V89 Q93 | A5-E91 WeakPolarHBondContact CA-O 3.47Å; A5-E91 HydrophobicContact CB-CB 3.96Å; N37-E91 WeakPolarHBondContact CB-OE2 3.41Å; N37-E91 PolarHBondContact ND2-OE1 3.24Å; V89-E91 HydrophobicContact CG1-CB 4.24Å; V89-E91 HydrophobicContact CG1-CG 3.77Å; V89-E91 PolarHBondContact O-N 2.73Å; E91-Q93 PolarHBondContact O-N 2.86Å | ||
| 92 | E | 65.5 | Low | 87.9 | Confident | 203 Ų | 203 | 55.8 Ų | 55.8 | 95% | 0.949 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -70.1 | -11.8 | 170.3 | -65.3 | -175.9 | 164.3 | 0 | 0 | 112.2 | ||
| 93 | Q | 72.1 | Confident | 88 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -105 | 157.6 | -171.7 | -57.9 | -163.6 | 35.4 | 0 | 0 | 112.5 | G35 E91 R95 | G35-Q93 PolarHBondContact O-OE1 3.4Å; E91-Q93 PolarHBondContact O-N 2.86Å; Q93-R95 PolarHBondContact O-N 3.46Å |
| 94 | I | 84.8 | Confident | 88.1 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | trans | -65.7 | 131.4 | 172 | -63.7 | 175.7 | 0 | 0 | 0 | 109 | R6 Y36 I96 I191 N195 | R6-I94 HydrophobicContact CB-CG1 3.92Å; R6-I94 CarbonylContact O-C 3.56Å; R6-I94 VanDerWaalsContact O-CA 3.28Å; R6-I94 WeakPolarHBondContact O-CA 3.22Å; Y36-I94 HydrophobicContact CD1-CB 4.01Å; Y36-I94 WeakPolarHBondContact CD1-O 3.45Å; Y36-I94 HydrophobicContact CE1-CB 3.95Å; Y36-I94 HydrophobicContact CE1-CD1 4.42Å; Y36-I94 HydrophobicContact CE1-CG1 4.5Å; I94-I96 HydrophobicContact CG2-CG1 3.86Å; I94-I191 HydrophobicContact CD1-CG2 3.93Å; I94-N195 VanDerWaalsContact CD1-CG 3.48Å; I94-N195 WeakPolarHBondContact CD1-ND2 3.43Å; I94-N195 VanDerWaalsContact CD1-OD1 3.26Å; I94-N195 WeakPolarHBondContact CD1-OD1 3.25Å | ||
| 95 | R | 92.6 | Very high | 88.2 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.3 | 164.6 | -162.8 | -174.1 | 175.6 | -140.6 | 6 | 110.2 | A5 R6 Q7 Y8 N37 W84 S87 Q93 | A5-R95 HydrophobicContact CB-CB 4.46Å; R6-R95 PolarHBondContact O-N 3.2Å; Q7-R95 CarbonylContact C-O 3.5Å; Q7-R95 WeakPolarHBondContact CA-O 3.46Å; Y8-R95 PolarHBondContact N-O 3.06Å; N37-R95 HydrophobicContact CB-CG 4.11Å; N37-R95 CarbonylContact O-C 3.57Å; N37-R95 WeakPolarHBondContact O-CA 3.49Å; W84-R95 VanDerWaalsContact CD1-CZ 3.43Å; W84-R95 VanDerWaalsContact CD1-NH1 3.32Å; W84-R95 VanDerWaalsContact CE2-CZ 3.42Å; W84-R95 HydrophobicContact CH2-CG 4.43Å; W84-R95 HydrophobicContact CZ2-CB 4.32Å; W84-R95 HydrophobicContact CZ2-CG 3.74Å; W84-R95 VanDerWaalsContact NE1-NH1 3.15Å; W84-R95 VanDerWaalsContact NE1-NH2 3.11Å; W84-R95 PolarHBondContact O-NH1 3.48Å; S87-R95 PolarHBondContact OG-NH1 3.22Å; Q93-R95 PolarHBondContact O-N 3.46Å |
| 96 | I | 95.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.9 | -174.3 | -58.5 | 177.9 | 0 | 0 | 0 | 110.3 | Y8 I10 L31 Y36 N37 V38 T39 I94 I98 I191 | Y8-I96 CarbonylContact O-C 3.6Å; Y8-I96 VanDerWaalsContact O-CA 3.24Å; Y8-I96 WeakPolarHBondContact O-CA 3.46Å; I10-I96 HydrophobicContact CD1-CG2 3.83Å; I10-I96 HydrophobicContact CG1-CG2 4.19Å; L31-I96 HydrophobicContact CD1-CD1 3.98Å; L31-I96 HydrophobicContact CD1-CG2 4.4Å; L31-I96 HydrophobicContact CD2-CD1 4.32Å; Y36-I96 HydrophobicContact CD1-CD1 3.85Å; Y36-I96 HydrophobicContact CD1-CG1 4.4Å; Y36-I96 HydrophobicContact CD2-CD1 4.01Å; Y36-I96 HydrophobicContact CE1-CD1 4.46Å; Y36-I96 HydrophobicContact CG-CD1 3.6Å; Y36-I96 HydrophobicContact CG-CG1 4.44Å; N37-I96 PolarHBondContact O-N 2.95Å; V38-I96 CarbonylContact C-O 3.59Å; V38-I96 WeakPolarHBondContact CA-O 3.37Å; V38-I96 HydrophobicContact CG2-CB 4.32Å; T39-I96 PolarHBondContact N-O 2.87Å; I94-I96 HydrophobicContact CG2-CG1 3.86Å; I96-I98 HydrophobicContact CG2-CG1 4.04Å; I96-I191 HydrophobicContact CD1-CD1 3.63Å |
| 97 | L | 97.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.1 | 165.3 | 179.5 | 62 | 0 | 0 | 0 | 109.1 | Y8 V9 I10 T39 L41 F80 M81 W84 | Y8-L97 PolarHBondContact O-N 2.95Å; V9-L97 CarbonylContact C-O 3.58Å; V9-L97 WeakPolarHBondContact CA-O 3.18Å; V9-L97 HydrophobicContact CG1-CB 4.37Å; V9-L97 HydrophobicContact CG1-CD2 4.28Å; V9-L97 HydrophobicContact CG1-CG 4.47Å; V9-L97 HydrophobicContact CG2-CB 4.24Å; I10-L97 PolarHBondContact N-O 3.37Å; T39-L97 HydrophobicContact CG2-CD1 3.97Å; T39-L97 CarbonylContact O-C 3.57Å; T39-L97 WeakPolarHBondContact O-CA 3.41Å; L41-L97 HydrophobicContact CB-CD1 4.14Å; F80-L97 HydrophobicContact CE1-CD1 4.16Å; M81-L97 HydrophobicContact CB-CD2 4.5Å; M81-L97 HydrophobicContact CE-CD2 4.08Å; M81-L97 HydrophobicContact CG-CD2 3.95Å; W84-L97 HydrophobicContact CD2-CB 4.01Å; W84-L97 HydrophobicContact CD2-CD2 4.11Å; W84-L97 HydrophobicContact CD2-CG 4.45Å; W84-L97 HydrophobicContact CE3-CB 4.1Å; W84-L97 HydrophobicContact CE3-CD2 4.13Å; W84-L97 HydrophobicContact CG-CD2 4.41Å; W84-L97 HydrophobicContact CH2-CB 3.69Å; W84-L97 HydrophobicContact CZ2-CB 3.55Å; W84-L97 HydrophobicContact CZ3-CB 3.95Å |
| 98 | I | 98.7 | Very high | 89 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.2 | 169.3 | -48.8 | 176.3 | 0 | 0 | 0 | 108.2 | I10 I12 T24 L27 A28 L31 V38 T39 C40 L41 I96 | I10-I98 HydrophobicContact CB-CG1 4.42Å; I10-I98 HydrophobicContact CD1-CG1 4.48Å; I10-I98 CarbonylContact O-C 3.56Å; I10-I98 WeakPolarHBondContact O-CA 3.35Å; I12-I98 HydrophobicContact CD1-CG2 3.7Å; I12-I98 HydrophobicContact CG1-CG2 4.02Å; T24-I98 HydrophobicContact CG2-CB 4.27Å; T24-I98 HydrophobicContact CG2-CG2 3.81Å; L27-I98 HydrophobicContact CB-CD1 4.5Å; L27-I98 HydrophobicContact CD2-CD1 4.06Å; L27-I98 HydrophobicContact CG-CD1 4.15Å; A28-I98 HydrophobicContact CB-CD1 4.23Å; L31-I98 HydrophobicContact CD1-CD1 4.18Å; V38-I98 HydrophobicContact CG1-CD1 3.71Å; V38-I98 HydrophobicContact CG1-CG1 3.95Å; T39-I98 PolarHBondContact O-N 2.84Å; C40-I98 CarbonylContact C-O 3.56Å; C40-I98 WeakPolarHBondContact CA-O 3.44Å; L41-I98 PolarHBondContact N-O 2.93Å; I96-I98 HydrophobicContact CG2-CG1 4.04Å |
| 99 | I | 98.7 | Very high | 90 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132 | 170.8 | -177.7 | 177.6 | 0 | 0 | 0 | 109.7 | V9 I10 G11 I12 L41 I77 M81 I104 M114 | V9-I99 HydrophobicContact CG1-CG2 4.42Å; I10-I99 PolarHBondContact O-N 3.3Å; G11-I99 CarbonylContact C-O 3.56Å; G11-I99 WeakPolarHBondContact CA-O 3.48Å; I12-I99 PolarHBondContact N-O 3.01Å; L41-I99 HydrophobicContact CB-CB 4.33Å; L41-I99 HydrophobicContact CB-CG1 4.36Å; L41-I99 HydrophobicContact CD2-CD1 3.98Å; L41-I99 HydrophobicContact CD2-CG1 4.14Å; L41-I99 HydrophobicContact CG-CG1 4.35Å; L41-I99 CarbonylContact O-C 3.55Å; L41-I99 VanDerWaalsContact O-CA 3.31Å; L41-I99 WeakPolarHBondContact O-CA 3.48Å; I77-I99 HydrophobicContact CG2-CD1 3.71Å; M81-I99 HydrophobicContact CE-CG2 4.46Å; M81-I99 HydrophobicContact SD-CD1 3.76Å; I99-I104 HydrophobicContact CD1-CB 4.35Å; I99-I104 HydrophobicContact CD1-CG2 3.98Å; I99-I104 HydrophobicContact CG1-CD1 4.12Å; I99-I104 HydrophobicContact CG1-CG2 4.14Å; I99-I104 HydrophobicContact CG2-CD1 4.23Å; I99-I104 WeakPolarHBondContact O-CD1 3.48Å; I99-M114 HydrophobicContact CG2-CE 3.78Å; I99-M114 HydrophobicContact CG2-CG 4.39Å |
| 100 | E | 98.6 | Very high | 91 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.1 | 178.1 | 74 | 92.9 | 174.2 | 0 | 0 | 112.7 | I12 K20 T21 T24 L41 Q42 M43 | I12-E100 HydrophobicContact CB-CB 4.22Å; I12-E100 WeakPolarHBondContact O-CA 3.05Å; I12-E100 WeakPolarHBondContact O-CB 3.35Å; K20-E100 WeakPolarHBondContact CB-OE2 3.27Å; T21-E100 PolarHBondContact OG1-OE1 3.42Å; T24-E100 HydrophobicContact CG2-CG 4.29Å; T24-E100 WeakPolarHBondContact OG1-CB 3.35Å; L41-E100 PolarHBondContact O-N 3.42Å; Q42-E100 HydrophobicContact CG-CG 4.3Å; Q42-E100 PolarHBondContact NE2-OE1 3.49Å; M43-E100 VanDerWaalsContact CB-O 3.27Å; M43-E100 WeakPolarHBondContact CB-O 3.41Å; M43-E100 PolarHBondContact N-O 3.08Å |
| 101 | G | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | 162.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I12 A13 K20 L103 | I12-G101 PolarHBondContact O-N 3.19Å; A13-G101 WeakPolarHBondContact CA-O 3.36Å; K20-G101 VanDerWaalsContact CE-C 3.48Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 2.95Å |
| 102 | I | 97.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -72.7 | -23.7 | -178 | 53.2 | 154.5 | 0 | 0 | 0 | 113.3 | M43 Y47 D67 | M43-I102 HydrophobicContact CE-CD1 4.41Å; M43-I102 HydrophobicContact CE-CG1 3.47Å; M43-I102 VanDerWaalsContact CE-CG1 3.47Å; M43-I102 HydrophobicContact SD-CG1 4.32Å; Y47-I102 WeakPolarHBondContact OH-CD1 3.46Å; D67-I102 HydrophobicContact CB-CD1 4.44Å |
| 103 | L | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -123.7 | -1.6 | -172.4 | -63.7 | 172.5 | 0 | 0 | 0 | 114 | M43 W74 G101 M105 N106 T152 | M43-L103 HydrophobicContact SD-CB 3.82Å; M43-L103 PolarHBondContact SD-N 3.02Å; W74-L103 HydrophobicContact CH2-CB 3.72Å; W74-L103 HydrophobicContact CZ2-CB 3.99Å; G101-L103 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 2.95Å; L103-M105 PolarHBondContact O-N 3.42Å; L103-N106 WeakPolarHBondContact CD2-ND2 3.09Å; L103-N106 WeakPolarHBondContact O-CB 3.22Å; L103-N106 PolarHBondContact O-N 3.43Å; L103-T152 HydrophobicContact CD2-CG2 3.5Å; L103-T152 VanDerWaalsContact CD2-CG2 3.5Å |
| 104 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27 | -173.1 | 59.9 | 169.7 | 0 | 0 | 0 | 113.5 | A13 M43 I99 L110 M114 | A13-I104 HydrophobicContact CB-CD1 4.26Å; A13-I104 HydrophobicContact CB-CG1 3.85Å; M43-I104 HydrophobicContact CB-CG2 3.7Å; M43-I104 HydrophobicContact CG-CG2 3.77Å; M43-I104 HydrophobicContact SD-CG2 3.94Å; I99-I104 HydrophobicContact CD1-CB 4.35Å; I99-I104 HydrophobicContact CD1-CG2 3.98Å; I99-I104 HydrophobicContact CG1-CD1 4.12Å; I99-I104 HydrophobicContact CG1-CG2 4.14Å; I99-I104 HydrophobicContact CG2-CD1 4.23Å; I99-I104 WeakPolarHBondContact O-CD1 3.48Å; I104-L110 HydrophobicContact CB-CD1 4.34Å; I104-L110 WeakPolarHBondContact O-CB 3.38Å; I104-M114 HydrophobicContact CB-CE 4.23Å; I104-M114 HydrophobicContact CD1-CE 4.11Å; I104-M114 HydrophobicContact CG1-CE 4.31Å |
| 105 | M | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.6 | 178 | -70.7 | -173.3 | -172.4 | 0 | 0 | 113.7 | G11 A13 L103 K107 R111 M114 R117 I118 F119 L160 | G11-M105 VanDerWaalsContact O-CE 3.3Å; G11-M105 WeakPolarHBondContact O-CE 3.43Å; A13-M105 HydrophobicContact CB-CB 4.13Å; A13-M105 HydrophobicContact CB-CE 3.77Å; A13-M105 HydrophobicContact CB-CG 3.61Å; A13-M105 HydrophobicContact CB-SD 3.61Å; L103-M105 PolarHBondContact O-N 3.42Å; M105-K107 VanDerWaalsContact C-N 3.3Å; M105-R111 HydrophobicContact CB-CG 4.24Å; M105-R111 HydrophobicContact CG-CG 4.43Å; M105-R111 WeakPolarHBondContact O-CD 3.43Å; M105-R111 WeakPolarHBondContact O-CG 3.3Å; M105-R111 PolarHBondContact O-NH1 2.87Å; M105-M114 HydrophobicContact CG-SD 4.41Å; M105-R117 HydrophobicContact CE-CB 3.56Å; M105-R117 HydrophobicContact CE-CG 4.22Å; M105-R117 HydrophobicContact SD-CB 4.2Å; M105-I118 WeakPolarHBondContact CE-O 3.33Å; M105-F119 HydrophobicContact SD-CD2 4.11Å; M105-L160 HydrophobicContact CB-CD1 4.37Å; M105-L160 HydrophobicContact CB-CD2 3.65Å; M105-L160 HydrophobicContact SD-CD1 4.39Å; M105-L160 HydrophobicContact SD-CD2 4.39Å |
| 106 | N | 96.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.144 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.3 | 172.5 | -69.8 | -8.9 | 0 | 0 | 0 | 111.5 | E69 L103 M108 R111 T156 I159 | E69-N106 WeakPolarHBondContact OE1-CB 3.45Å; E69-N106 PolarHBondContact OE1-ND2 3.49Å; L103-N106 WeakPolarHBondContact CD2-ND2 3.09Å; L103-N106 WeakPolarHBondContact O-CB 3.22Å; L103-N106 PolarHBondContact O-N 3.43Å; N106-M108 PolarHBondContact O-N 3.48Å; N106-R111 PolarHBondContact O-NH1 3.25Å; N106-T156 PolarHBondContact ND2-OG1 3.42Å; N106-T156 VanDerWaalsContact OD1-CG2 3.26Å; N106-T156 WeakPolarHBondContact OD1-CG2 3.37Å; N106-T156 PolarHBondContact OD1-OG1 3.24Å; N106-I159 HydrophobicContact CB-CD1 4.5Å |
| 107 | K | 95.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 27% | 0.265 | 15% | 0.145 | S | C | . | . | trans | -80.8 | 116.5 | 176.4 | -63.3 | -54.9 | -160.3 | -152.2 | 0 | 111 | E69 W74 M105 E109 L110 R111 | E69-K107 WeakPolarHBondContact OE2-CD 3.45Å; E69-K107 WeakPolarHBondContact OE2-CE 3.35Å; E69-K107 IonicContact OE2-NZ 3.6Å; E69-K107 PolarHBondContact OE2-NZ 3.11Å; W74-K107 HydrophobicContact CD2-CD 4.44Å; W74-K107 VanDerWaalsContact CD2-CE 3.47Å; W74-K107 HydrophobicContact CD2-CG 4.04Å; W74-K107 VanDerWaalsContact CE2-CE 3.44Å; W74-K107 HydrophobicContact CE3-CG 4.01Å; W74-K107 HydrophobicContact CH2-CG 4.5Å; W74-K107 HydrophobicContact CZ3-CG 4.26Å; W74-K107 VanDerWaalsContact NE1-CE 3.35Å; M105-K107 VanDerWaalsContact C-N 3.3Å; K107-E109 VanDerWaalsContact C-N 3.27Å; K107-E109 PolarHBondContact O-N 3.05Å; K107-L110 HydrophobicContact CB-CB 4Å; K107-L110 HydrophobicContact CB-CD1 4.07Å; K107-L110 HydrophobicContact CB-CG 3.87Å; K107-L110 HydrophobicContact CG-CD1 4.24Å; K107-L110 HydrophobicContact CG-CG 4.45Å; K107-L110 PolarHBondContact O-N 2.81Å; K107-R111 WeakPolarHBondContact O-CG 3.41Å; K107-R111 PolarHBondContact O-N 2.78Å | ||
| 108 | M | 95.6 | Very high | 97.5 | Very high | 122 Ų | 122 | 29.7 Ų | 29.7 | 60% | 0.601 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -59.3 | -39.6 | 173.8 | -173.5 | 177.3 | 71.9 | 0 | 0 | 112 | N106 L110 R111 N112 | N106-M108 PolarHBondContact O-N 3.48Å; M108-L110 PolarHBondContact O-N 2.83Å; M108-R111 PolarHBondContact O-N 2.78Å; M108-N112 PolarHBondContact O-N 2.97Å; M108-N112 PolarHBondContact O-ND2 3.13Å; M108-N112 PolarHBondContact O-OD1 3.23Å |
| 109 | E | 96.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 29.7 Ų | 29.7 | 42% | 0.421 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.7 | -48 | 176.6 | -173.8 | 174 | -177.7 | 0 | 0 | 111.5 | I78 K82 K107 R111 N112 M113 | I78-E109 HydrophobicContact CD1-CG 4.45Å; I78-E109 WeakPolarHBondContact CD1-OE2 3.24Å; K82-E109 IonicContact NZ-OE1 3.14Å; K82-E109 PolarHBondContact NZ-OE1 2.78Å; K107-E109 VanDerWaalsContact C-N 3.27Å; K107-E109 PolarHBondContact O-N 3.05Å; E109-R111 PolarHBondContact O-N 3.1Å; E109-N112 PolarHBondContact O-N 2.96Å; E109-M113 WeakPolarHBondContact O-CG 3.4Å; E109-M113 PolarHBondContact O-N 2.89Å |
| 110 | L | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 176.9 | -66.4 | -175.4 | 0 | 0 | 0 | 112.3 | W74 I77 I78 M81 I104 K107 M108 N112 M113 M114 | W74-L110 HydrophobicContact CE3-CD1 3.82Å; W74-L110 HydrophobicContact CZ3-CD1 3.73Å; I77-L110 HydrophobicContact CG2-CD1 4.18Å; I77-L110 HydrophobicContact CG2-CD2 3.97Å; I78-L110 HydrophobicContact CG1-CD2 3.67Å; I78-L110 HydrophobicContact CG1-CG 4.47Å; M81-L110 HydrophobicContact SD-CD2 3.67Å; I104-L110 HydrophobicContact CB-CD1 4.34Å; I104-L110 WeakPolarHBondContact O-CB 3.38Å; K107-L110 HydrophobicContact CB-CB 4Å; K107-L110 HydrophobicContact CB-CD1 4.07Å; K107-L110 HydrophobicContact CB-CG 3.87Å; K107-L110 HydrophobicContact CG-CD1 4.24Å; K107-L110 HydrophobicContact CG-CG 4.45Å; K107-L110 PolarHBondContact O-N 2.81Å; M108-L110 PolarHBondContact O-N 2.83Å; L110-N112 PolarHBondContact O-N 3.04Å; L110-M113 HydrophobicContact CD2-SD 4.36Å; L110-M113 PolarHBondContact O-N 2.78Å; L110-M114 HydrophobicContact CB-CE 3.86Å; L110-M114 WeakPolarHBondContact O-CG 3.48Å; L110-M114 PolarHBondContact O-N 3.36Å |
| 111 | R | 97.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 175.7 | -69.5 | -163.5 | -53.6 | -80.1 | 1.1 | 111.7 | M105 N106 K107 M108 E109 M113 M114 R117 D165 | M105-R111 HydrophobicContact CB-CG 4.24Å; M105-R111 HydrophobicContact CG-CG 4.43Å; M105-R111 WeakPolarHBondContact O-CD 3.43Å; M105-R111 WeakPolarHBondContact O-CG 3.3Å; M105-R111 PolarHBondContact O-NH1 2.87Å; N106-R111 PolarHBondContact O-NH1 3.25Å; K107-R111 WeakPolarHBondContact O-CG 3.41Å; K107-R111 PolarHBondContact O-N 2.78Å; M108-R111 PolarHBondContact O-N 2.78Å; E109-R111 PolarHBondContact O-N 3.1Å; R111-M113 PolarHBondContact O-N 3.15Å; R111-M114 PolarHBondContact O-N 2.99Å; R111-M114 VanDerWaalsContact O-N 3.15Å; R111-R117 VanDerWaalsContact O-CZ 3.27Å; R111-R117 PolarHBondContact O-NE 2.89Å; R111-R117 PolarHBondContact O-NH2 3.26Å; R111-D165 VanDerWaalsContact CD-OD2 3.31Å; R111-D165 WeakPolarHBondContact CD-OD2 3.24Å; R111-D165 IonicContact CZ-OD2 3.62Å; R111-D165 IonicContact NE-OD2 2.69Å; R111-D165 PolarHBondContact NE-OD2 3.42Å; R111-D165 IonicContact NH2-OD2 3.7Å |
| 112 | N | 96.7 | Very high | 97.2 | Very high | 108 Ų | 108 | 34.2 Ų | 34.2 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -68.5 | -21.7 | 178.1 | -68.2 | -12.7 | 0 | 0 | 0 | 113 | M108 E109 L110 | M108-N112 PolarHBondContact O-N 2.97Å; M108-N112 PolarHBondContact O-ND2 3.13Å; M108-N112 PolarHBondContact O-OD1 3.23Å; E109-N112 PolarHBondContact O-N 2.96Å; L110-N112 PolarHBondContact O-N 3.04Å |
| 113 | M | 96.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 36 Ų | 36 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.1 | 174.5 | -60.3 | 175 | 77.9 | 0 | 0 | 113.2 | V9 M81 K82 E109 L110 R111 | V9-M113 WeakPolarHBondContact CB-O 3.43Å; V9-M113 WeakPolarHBondContact CG1-O 3.44Å; V9-M113 WeakPolarHBondContact CG2-O 3.21Å; M81-M113 HydrophobicContact CB-CE 3.39Å; M81-M113 HydrophobicContact CB-SD 4.4Å; M81-M113 HydrophobicContact CE-CB 3.73Å; M81-M113 HydrophobicContact CE-CE 4.18Å; M81-M113 HydrophobicContact CE-SD 4.32Å; M81-M113 HydrophobicContact CG-CE 4.49Å; M81-M113 HydrophobicContact SD-CE 4.44Å; M81-M113 HydrophobicContact SD-SD 4.41Å; K82-M113 HydrophobicContact CG-CE 4.07Å; E109-M113 WeakPolarHBondContact O-CG 3.4Å; E109-M113 PolarHBondContact O-N 2.89Å; L110-M113 HydrophobicContact CD2-SD 4.36Å; L110-M113 PolarHBondContact O-N 2.78Å; R111-M113 PolarHBondContact O-N 3.15Å |
| 114 | M | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | trans | -101.2 | 130.6 | -179.5 | -63.3 | 161.9 | -166 | 0 | 0 | 111.1 | V9 I99 I104 M105 L110 R111 R117 | V9-M114 HydrophobicContact CG1-CG 4.17Å; I99-M114 HydrophobicContact CG2-CE 3.78Å; I99-M114 HydrophobicContact CG2-CG 4.39Å; I104-M114 HydrophobicContact CB-CE 4.23Å; I104-M114 HydrophobicContact CD1-CE 4.11Å; I104-M114 HydrophobicContact CG1-CE 4.31Å; M105-M114 HydrophobicContact CG-SD 4.41Å; L110-M114 HydrophobicContact CB-CE 3.86Å; L110-M114 WeakPolarHBondContact O-CG 3.48Å; L110-M114 PolarHBondContact O-N 3.36Å; R111-M114 PolarHBondContact O-N 2.99Å; R111-M114 VanDerWaalsContact O-N 3.15Å; M114-R117 HydrophobicContact CB-CG 3.94Å; M114-R117 PolarHBondContact O-NH2 3.27Å; M114-R117 HydrophobicContact SD-CG 4.17Å | ||
| 115 | D | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -82.1 | -36.8 | 172.8 | -59 | -66.3 | 0 | 0 | 0 | 111.8 | Y8 V9 | Y8-D115 WeakPolarHBondContact CA-OD2 3.44Å; Y8-D115 HydrophobicContact CD1-CB 4.44Å; Y8-D115 HydrophobicContact CD2-CB 3.81Å; Y8-D115 HydrophobicContact CE1-CB 4.17Å; Y8-D115 HydrophobicContact CE2-CB 3.49Å; Y8-D115 VanDerWaalsContact CE2-CB 3.49Å; Y8-D115 HydrophobicContact CG-CB 4.28Å; V9-D115 PolarHBondContact N-OD2 2.75Å; V9-D115 PolarHBondContact O-N 2.95Å |
| 116 | L | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.8 | 177 | 178.9 | 56.4 | 0 | 0 | 0 | 110.6 | Y8 V9 I10 G11 I118 Y168 V187 K190 | Y8-L116 HydrophobicContact CE1-CB 3.93Å; V9-L116 PolarHBondContact O-N 2.71Å; V9-L116 VanDerWaalsContact O-N 3.1Å; I10-L116 CarbonylContact C-O 3.59Å; I10-L116 HydrophobicContact CG1-CB 4.38Å; I10-L116 HydrophobicContact CG2-CB 4.43Å; I10-L116 HydrophobicContact CG2-CD2 4.25Å; I10-L116 HydrophobicContact CG2-CG 4.37Å; G11-L116 PolarHBondContact N-O 3.08Å; L116-I118 HydrophobicContact CD1-CG1 4.39Å; L116-I118 HydrophobicContact CD2-CD1 4.02Å; L116-I118 HydrophobicContact CD2-CG1 4.31Å; L116-I118 HydrophobicContact CG-CD1 4.3Å; L116-I118 HydrophobicContact CG-CG1 4.06Å; L116-Y168 HydrophobicContact CD1-CD2 3.5Å; L116-Y168 VanDerWaalsContact CD1-CD2 3.5Å; L116-Y168 HydrophobicContact CD1-CE2 3.74Å; L116-Y168 HydrophobicContact CD1-CG 4.35Å; L116-V187 HydrophobicContact CD2-CB 4.48Å; L116-V187 HydrophobicContact CD2-CG2 3.86Å; L116-K190 HydrophobicContact CD1-CG 4Å; L116-K190 HydrophobicContact CD2-CB 4.2Å; L116-K190 HydrophobicContact CD2-CG 4.31Å |
| 117 | R | 98.3 | Very high | 96.8 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 108.2 | 179.5 | -59.9 | 177.3 | -158.9 | 87.8 | 4.9 | 109.5 | M105 R111 M114 I167 Y168 | M105-R117 HydrophobicContact CE-CB 3.56Å; M105-R117 HydrophobicContact CE-CG 4.22Å; M105-R117 HydrophobicContact SD-CB 4.2Å; R111-R117 VanDerWaalsContact O-CZ 3.27Å; R111-R117 PolarHBondContact O-NE 2.89Å; R111-R117 PolarHBondContact O-NH2 3.26Å; M114-R117 HydrophobicContact CB-CG 3.94Å; M114-R117 PolarHBondContact O-NH2 3.27Å; M114-R117 HydrophobicContact SD-CG 4.17Å; R117-I167 HydrophobicContact CB-CG1 4.1Å; R117-I167 CarbonylContact O-C 3.59Å; R117-I167 WeakPolarHBondContact O-CA 3.27Å; R117-Y168 PolarHBondContact O-N 3.25Å |
| 118 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133 | 176.7 | -67 | 178.2 | 0 | 0 | 0 | 109.3 | I10 G11 I12 A13 M105 L116 L120 Y168 F170 I183 V187 | I10-I118 HydrophobicContact CG2-CD1 4.29Å; G11-I118 PolarHBondContact O-N 3.12Å; I12-I118 WeakPolarHBondContact CA-O 3.23Å; I12-I118 HydrophobicContact CG1-CB 4.38Å; I12-I118 HydrophobicContact CG2-CG2 4.37Å; A13-I118 PolarHBondContact N-O 3.03Å; M105-I118 WeakPolarHBondContact CE-O 3.33Å; L116-I118 HydrophobicContact CD1-CG1 4.39Å; L116-I118 HydrophobicContact CD2-CD1 4.02Å; L116-I118 HydrophobicContact CD2-CG1 4.31Å; L116-I118 HydrophobicContact CG-CD1 4.3Å; L116-I118 HydrophobicContact CG-CG1 4.06Å; I118-L120 HydrophobicContact CG2-CD2 3.93Å; I118-Y168 CarbonylContact C-O 3.59Å; I118-Y168 WeakPolarHBondContact CA-O 3.19Å; I118-F170 HydrophobicContact CD1-CE2 4.44Å; I118-F170 HydrophobicContact CG1-CE2 4.18Å; I118-F170 HydrophobicContact CG2-CD2 3.69Å; I118-F170 HydrophobicContact CG2-CE2 3.86Å; I118-I183 HydrophobicContact CD1-CG2 4.08Å; I118-V187 HydrophobicContact CD1-CG2 3.8Å |
| 119 | F | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.3 | 177.9 | -165.1 | -82.2 | 0 | 0 | 0 | 112.1 | A13 M105 K121 Y153 T156 L157 L160 I167 Y168 Y169 F170 | A13-F119 HydrophobicContact CB-CD2 3.72Å; A13-F119 HydrophobicContact CB-CE2 4.07Å; A13-F119 WeakPolarHBondContact O-CA 3.36Å; M105-F119 HydrophobicContact SD-CD2 4.11Å; F119-K121 HydrophobicContact CD1-CG 4.05Å; F119-K121 HydrophobicContact CE1-CG 4.27Å; F119-K121 PolarHBondContact O-N 3.39Å; F119-Y153 HydrophobicContact CE1-CD2 4.45Å; F119-Y153 AromaticContact CE1-CE2 3.66Å; F119-Y153 HydrophobicContact CE1-CE2 3.66Å; F119-Y153 HydrophobicContact CZ-CD2 4.2Å; F119-Y153 AromaticContact CZ-CE2 3.86Å; F119-Y153 HydrophobicContact CZ-CE2 3.86Å; F119-T156 HydrophobicContact CE2-CG2 3.57Å; F119-T156 HydrophobicContact CZ-CG2 3.89Å; F119-L157 HydrophobicContact CD1-CD2 4.09Å; F119-L157 HydrophobicContact CE1-CD2 3.43Å; F119-L157 VanDerWaalsContact CE1-CD2 3.43Å; F119-L157 HydrophobicContact CE1-CG 4.31Å; F119-L157 HydrophobicContact CZ-CD2 3.89Å; F119-L157 HydrophobicContact CZ-CG 4.45Å; F119-L160 HydrophobicContact CD2-CD1 3.33Å; F119-L160 HydrophobicContact CE2-CD1 3.42Å; F119-L160 VanDerWaalsContact CE2-CD1 3.42Å; F119-L160 HydrophobicContact CG-CD1 4.11Å; F119-L160 HydrophobicContact CZ-CD1 4.22Å; F119-I167 HydrophobicContact CB-CG2 3.65Å; F119-Y168 PolarHBondContact N-O 2.75Å; F119-Y169 HydrophobicContact CB-CD1 3.74Å; F119-Y169 HydrophobicContact CB-CE1 3.84Å; F119-Y169 AromaticContact CD1-CD1 3.85Å; F119-Y169 HydrophobicContact CD1-CD1 3.85Å; F119-Y169 AromaticContact CD1-CE1 3.92Å; F119-Y169 HydrophobicContact CD1-CE1 3.92Å; F119-Y169 HydrophobicContact CG-CD1 4.1Å; F119-Y169 AromaticContact CG-CE1 3.98Å; F119-Y169 HydrophobicContact CG-CE1 3.98Å; F119-Y169 WeakPolarHBondContact O-CA 3.45Å; F119-F170 PolarHBondContact O-N 3.14Å |
| 120 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.1 | -178.9 | -57.3 | -165.4 | 0 | 0 | 0 | 111.1 | I12 A13 G14 A15 K20 M23 I118 F170 S172 L179 I183 | I12-L120 HydrophobicContact CG2-CD1 4.29Å; I12-L120 HydrophobicContact CG2-CG 4.25Å; A13-L120 PolarHBondContact O-N 3.26Å; G14-L120 VanDerWaalsContact CA-O 3.23Å; G14-L120 WeakPolarHBondContact CA-O 3.27Å; A15-L120 PolarHBondContact N-O 2.96Å; K20-L120 HydrophobicContact CB-CD1 4.42Å; K20-L120 HydrophobicContact CG-CD1 3.9Å; K20-L120 HydrophobicContact CG-CG 4.36Å; M23-L120 HydrophobicContact CG-CD1 4.17Å; I118-L120 HydrophobicContact CG2-CD2 3.93Å; L120-F170 HydrophobicContact CD2-CB 4Å; L120-S172 WeakPolarHBondContact CB-OG 3.25Å; L120-L179 HydrophobicContact CD1-CD2 4.46Å; L120-L179 HydrophobicContact CD2-CD1 4.25Å; L120-I183 HydrophobicContact CD2-CD1 3.78Å |
| 121 | K | 97 | Very high | 96.4 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 38% | 0.378 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.4 | 176 | -75.5 | -172.2 | 156.1 | 178.7 | 0 | 111.4 | F119 L157 Y169 F170 S172 | F119-K121 HydrophobicContact CD1-CG 4.05Å; F119-K121 HydrophobicContact CE1-CG 4.27Å; F119-K121 PolarHBondContact O-N 3.39Å; K121-L157 VanDerWaalsContact CE-CD2 3.46Å; K121-L157 HydrophobicContact CG-CD2 4.49Å; K121-Y169 HydrophobicContact CD-CD1 3.96Å; K121-Y169 HydrophobicContact CD-CG 4.47Å; K121-Y169 HydrophobicContact CG-CD1 4.09Å; K121-F170 PolarHBondContact N-O 2.76Å; K121-S172 WeakPolarHBondContact O-CB 3.45Å; K121-S172 PolarHBondContact O-N 3.25Å; K121-S172 PolarHBondContact O-OG 3.4Å |
| 122 | I | 95.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | -147.4 | 152.7 | 176.9 | -167 | 170.4 | 0 | 0 | 0 | 109.4 | A15 N126 M127 Y153 N173 | A15-I122 HydrophobicContact CB-CG2 3.32Å; I122-N126 HydrophobicContact CD1-CB 3.99Å; I122-N126 HydrophobicContact CG1-CB 3.86Å; I122-M127 HydrophobicContact CD1-CB 4.29Å; I122-M127 HydrophobicContact CG1-CB 4.49Å; I122-M127 HydrophobicContact CG2-CB 3.85Å; I122-M127 HydrophobicContact CG2-CG 4.11Å; I122-M127 HydrophobicContact CG2-SD 4.36Å; I122-Y153 PolarHBondContact N-OH 3.45Å; I122-N173 WeakPolarHBondContact CG1-OD1 3.25Å | ||
| 123 | T | 96.3 | Very high | 95.9 | Very high | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | trans | -73.6 | 158.9 | 172.5 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | E125 N126 M127 | T123-E125 VanDerWaalsContact C-N 3.32Å; T123-E125 PolarHBondContact O-N 3.36Å; T123-N126 PolarHBondContact O-N 3.28Å; T123-N126 WeakPolarHBondContact OG1-CB 3.44Å; T123-N126 PolarHBondContact OG1-N 3.33Å; T123-N126 PolarHBondContact OG1-ND2 3.23Å; T123-M127 VanDerWaalsContact O-CB 3.27Å; T123-M127 WeakPolarHBondContact O-CB 3.2Å; T123-M127 PolarHBondContact O-N 3.49Å | ||
| 124 | Y | 96.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 30% | 0.302 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.3 | -49.2 | 176.2 | 176.4 | -91.1 | 0 | 0 | 0 | 111.5 | M127 L128 F145 W150 | Y124-M127 PolarHBondContact O-N 3.24Å; Y124-L128 HydrophobicContact CE1-CD2 3.93Å; Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.21Å; Y124-L128 PolarHBondContact O-N 3.02Å; Y124-F145 AromaticContact CD2-CE1 3.9Å; Y124-F145 HydrophobicContact CD2-CE1 3.9Å; Y124-F145 HydrophobicContact CE2-CD1 4.15Å; Y124-F145 AromaticContact CE2-CE1 3.49Å; Y124-F145 HydrophobicContact CE2-CE1 3.49Å; Y124-F145 VanDerWaalsContact CE2-CE1 3.49Å; Y124-F145 HydrophobicContact CE2-CZ 4.5Å; Y124-F145 AromaticContact CZ-CE1 3.84Å; Y124-W150 HydrophobicContact CD2-CB 4.44Å; Y124-W150 AromaticContact CD2-CD1 3.81Å; Y124-W150 AromaticContact CD2-CD2 3.49Å; Y124-W150 HydrophobicContact CD2-CD2 3.49Å; Y124-W150 VanDerWaalsContact CD2-CD2 3.49Å; Y124-W150 AromaticContact CD2-CE2 3.53Å; Y124-W150 AromaticContact CD2-CE3 3.96Å; Y124-W150 HydrophobicContact CD2-CE3 3.96Å; Y124-W150 AromaticContact CD2-CG 3.68Å; Y124-W150 HydrophobicContact CD2-CG 3.68Å; Y124-W150 HydrophobicContact CD2-CH2 4.46Å; Y124-W150 HydrophobicContact CD2-CZ2 4.05Å; Y124-W150 HydrophobicContact CD2-CZ3 4.42Å; Y124-W150 AromaticContact CD2-NE1 3.7Å; Y124-W150 HydrophobicContact CE2-CB 4.31Å; Y124-W150 AromaticContact CE2-CD1 3.97Å; Y124-W150 HydrophobicContact CE2-CD2 4.2Å; Y124-W150 AromaticContact CE2-CG 3.9Å; Y124-W150 HydrophobicContact CE2-CG 3.9Å; Y124-W150 HydrophobicContact CG-CD2 4.46Å; Y124-W150 HydrophobicContact CG-CZ2 4.42Å |
| 125 | E | 96 | Very high | 95 | Very high | 124 Ų | 124 | 65.8 Ų | 65.8 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | -174.5 | -64.2 | 69.3 | -150 | 0 | 0 | 110.8 | T123 L128 Q129 | T123-E125 VanDerWaalsContact C-N 3.32Å; T123-E125 PolarHBondContact O-N 3.36Å; E125-L128 PolarHBondContact O-N 3.05Å; E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 2.9Å |
| 126 | N | 95.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | -179.3 | -74.1 | -20.1 | 0 | 0 | 0 | 111.4 | I122 T123 Q129 R130 N173 | I122-N126 HydrophobicContact CD1-CB 3.99Å; I122-N126 HydrophobicContact CG1-CB 3.86Å; T123-N126 PolarHBondContact O-N 3.28Å; T123-N126 WeakPolarHBondContact OG1-CB 3.44Å; T123-N126 PolarHBondContact OG1-N 3.33Å; T123-N126 PolarHBondContact OG1-ND2 3.23Å; N126-Q129 PolarHBondContact O-N 2.83Å; N126-R130 WeakPolarHBondContact O-CB 3.47Å; N126-R130 WeakPolarHBondContact O-CG 3.35Å; N126-R130 PolarHBondContact O-N 3.2Å; N126-N173 PolarHBondContact ND2-OD1 2.94Å |
| 127 | M | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 174.5 | -168.1 | -174 | 179 | 0 | 0 | 111.4 | A15 S16 I122 T123 Y124 Q129 R130 R131 F145 V149 W150 | A15-M127 HydrophobicContact CB-CE 3.91Å; A15-M127 HydrophobicContact CB-SD 3.93Å; S16-M127 VanDerWaalsContact CB-CE 3.42Å; S16-M127 WeakPolarHBondContact O-CE 3.45Å; S16-M127 WeakPolarHBondContact O-CG 3.37Å; I122-M127 HydrophobicContact CD1-CB 4.29Å; I122-M127 HydrophobicContact CG1-CB 4.49Å; I122-M127 HydrophobicContact CG2-CB 3.85Å; I122-M127 HydrophobicContact CG2-CG 4.11Å; I122-M127 HydrophobicContact CG2-SD 4.36Å; T123-M127 VanDerWaalsContact O-CB 3.27Å; T123-M127 WeakPolarHBondContact O-CB 3.2Å; T123-M127 PolarHBondContact O-N 3.49Å; Y124-M127 PolarHBondContact O-N 3.24Å; M127-Q129 PolarHBondContact O-N 3.11Å; M127-R130 PolarHBondContact O-N 3.38Å; M127-R131 VanDerWaalsContact O-CB 3.27Å; M127-R131 WeakPolarHBondContact O-CB 3.24Å; M127-R131 PolarHBondContact O-N 3.03Å; M127-F145 HydrophobicContact CB-CE2 4.36Å; M127-F145 HydrophobicContact CB-CZ 4.04Å; M127-F145 HydrophobicContact CE-CE2 3.91Å; M127-F145 HydrophobicContact CG-CE2 3.75Å; M127-F145 HydrophobicContact CG-CZ 3.89Å; M127-F145 HydrophobicContact SD-CE2 3.7Å; M127-F145 HydrophobicContact SD-CZ 3.75Å; M127-V149 HydrophobicContact CE-CG1 3.32Å; M127-W150 HydrophobicContact SD-CE3 3.57Å; M127-W150 VanDerWaalsContact SD-CE3 3.57Å; M127-W150 HydrophobicContact SD-CZ3 3.78Å |
| 128 | L | 95.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 73.6 Ų | 73.6 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 178.5 | 178.6 | 59.3 | 0 | 0 | 0 | 111.2 | Y124 E125 R131 K132 F145 | Y124-L128 HydrophobicContact CE1-CD2 3.93Å; Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.21Å; Y124-L128 PolarHBondContact O-N 3.02Å; E125-L128 PolarHBondContact O-N 3.05Å; L128-R131 PolarHBondContact O-N 3.32Å; L128-K132 HydrophobicContact CD1-CD 4.37Å; L128-K132 HydrophobicContact CD1-CG 4.34Å; L128-K132 HydrophobicContact CG-CD 4.35Å; L128-K132 WeakPolarHBondContact O-CB 3.44Å; L128-K132 VanDerWaalsContact O-CG 3.28Å; L128-K132 WeakPolarHBondContact O-CG 3.35Å; L128-K132 PolarHBondContact O-N 3.24Å; L128-F145 HydrophobicContact CB-CD1 4.36Å; L128-F145 HydrophobicContact CB-CE1 3.83Å; L128-F145 HydrophobicContact CB-CZ 3.99Å; L128-F145 HydrophobicContact CD1-CB 4.28Å; L128-F145 HydrophobicContact CD1-CD1 3.63Å; L128-F145 HydrophobicContact CD1-CD2 4.47Å; L128-F145 HydrophobicContact CD1-CE1 3.99Å; L128-F145 HydrophobicContact CD1-CG 3.86Å; L128-F145 HydrophobicContact CG-CD1 4.45Å; L128-F145 HydrophobicContact CG-CE1 4.38Å |
| 129 | Q | 94.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 78.4 Ų | 78.4 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.2 | -49.3 | 178 | -176 | -178.2 | -4.9 | 0 | 0 | 111.5 | E125 N126 M127 R131 K132 L133 | E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 2.9Å; N126-Q129 PolarHBondContact O-N 2.83Å; M127-Q129 PolarHBondContact O-N 3.11Å; Q129-R131 VanDerWaalsContact C-N 3.3Å; Q129-R131 PolarHBondContact O-N 2.99Å; Q129-K132 PolarHBondContact O-N 3.33Å; Q129-L133 WeakPolarHBondContact O-CG 3.4Å; Q129-L133 PolarHBondContact O-N 2.86Å |
| 130 | R | 94 | Very high | 91.7 | Very high | 80 Ų | 80 | 81.1 Ų | 81.1 | 30% | 0.302 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 179.5 | -68.5 | 175.6 | -171.6 | -172.5 | 3.5 | 111.9 | N17 S18 N126 M127 L133 R134 S172 | N17-R130 HydrophobicContact CB-CB 3.76Å; N17-R130 PolarHBondContact ND2-O 2.77Å; N17-R130 WeakPolarHBondContact O-CD 3.48Å; N17-R130 PolarHBondContact O-NH1 3.43Å; S18-R130 PolarHBondContact O-NH1 3.33Å; N126-R130 WeakPolarHBondContact O-CB 3.47Å; N126-R130 WeakPolarHBondContact O-CG 3.35Å; N126-R130 PolarHBondContact O-N 3.2Å; M127-R130 PolarHBondContact O-N 3.38Å; R130-L133 PolarHBondContact O-N 3.47Å; R130-R134 PolarHBondContact O-N 3.19Å; R130-S172 PolarHBondContact NH1-O 3.37Å; R130-S172 PolarHBondContact NH2-O 3.23Å |
| 131 | R | 93.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 82.2 Ų | 82.2 | 5% | 0.053 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 178.5 | -166.9 | 169.7 | 179.2 | 126.3 | -2.4 | 112.2 | S16 D67 M127 L128 Q129 L133 R134 Y136 D140 Y144 V149 | S16-R131 PolarHBondContact OG-NH1 2.86Å; D67-R131 IonicContact OD1-NH1 3.5Å; D67-R131 PolarHBondContact OD1-NH1 3.43Å; D67-R131 IonicContact OD2-NH1 3.64Å; D67-R131 IonicContact OD2-NH2 2.71Å; M127-R131 VanDerWaalsContact O-CB 3.27Å; M127-R131 WeakPolarHBondContact O-CB 3.24Å; M127-R131 PolarHBondContact O-N 3.03Å; L128-R131 PolarHBondContact O-N 3.32Å; Q129-R131 VanDerWaalsContact C-N 3.3Å; Q129-R131 PolarHBondContact O-N 2.99Å; R131-L133 PolarHBondContact O-N 3.13Å; R131-R134 PolarHBondContact O-N 3.23Å; R131-Y136 HydrophobicContact CG-CE2 3.78Å; R131-Y136 WeakPolarHBondContact CG-OH 3.21Å; R131-Y136 PolarHBondContact NE-OH 2.81Å; R131-D140 IonicContact CZ-OD1 3.44Å; R131-D140 IonicContact CZ-OD2 3.9Å; R131-D140 IonicContact NE-OD1 3.16Å; R131-D140 IonicContact NE-OD2 2.75Å; R131-D140 PolarHBondContact NE-OD2 2.83Å; R131-D140 IonicContact NH2-OD1 3.96Å; R131-D140 PolarHBondContact NH2-OD1 3Å; R131-D140 IonicContact NH2-OD2 3.52Å; R131-Y144 VanDerWaalsContact NH2-CE1 3.35Å; R131-V149 VanDerWaalsContact NH1-CG1 3.28Å; R131-V149 VanDerWaalsContact NH1-CG2 3.35Å |
| 132 | K | 90.6 | Very high | 90.9 | Very high | 162 Ų | 162 | 83.8 Ų | 83.8 | 70% | 0.704 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.5 | -30.1 | 173.1 | -77 | 175.9 | 178.8 | 179.9 | 0 | 113.3 | L128 Q129 | L128-K132 HydrophobicContact CD1-CD 4.37Å; L128-K132 HydrophobicContact CD1-CG 4.34Å; L128-K132 HydrophobicContact CG-CD 4.35Å; L128-K132 WeakPolarHBondContact O-CB 3.44Å; L128-K132 VanDerWaalsContact O-CG 3.28Å; L128-K132 WeakPolarHBondContact O-CG 3.35Å; L128-K132 PolarHBondContact O-N 3.24Å; Q129-K132 PolarHBondContact O-N 3.33Å |
| 133 | L | 91.1 | Very high | 90.7 | Very high | 138 Ų | 138 | 88.9 Ų | 88.9 | 72% | 0.723 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -85 | -15.7 | 178.5 | -64.8 | 173.4 | 0 | 0 | 0 | 113.4 | Q129 R130 R131 | Q129-L133 WeakPolarHBondContact O-CG 3.4Å; Q129-L133 PolarHBondContact O-N 2.86Å; R130-L133 PolarHBondContact O-N 3.47Å; R131-L133 PolarHBondContact O-N 3.13Å |
| 134 | R | 88.9 | Confident | 90.6 | Very high | 99 Ų | 99 | 86.8 Ų | 86.8 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | trans | -82 | 131.8 | -178.9 | -173.7 | 165 | -178.1 | -172 | 2.7 | 110.1 | N17 D44 R130 R131 Y136 | N17-R134 WeakPolarHBondContact ND2-CB 3.23Å; N17-R134 WeakPolarHBondContact ND2-CD 3.42Å; D44-R134 IonicContact OD2-NH2 3.2Å; R130-R134 PolarHBondContact O-N 3.19Å; R131-R134 PolarHBondContact O-N 3.23Å; R134-Y136 HydrophobicContact CB-CD2 4.45Å; R134-Y136 HydrophobicContact CB-CE2 3.92Å; R134-Y136 HydrophobicContact CG-CD2 4.29Å; R134-Y136 HydrophobicContact CG-CE1 4.33Å; R134-Y136 HydrophobicContact CG-CE2 3.94Å | ||
| 135 | K | 87.4 | Confident | 90.6 | Very high | 201 Ų | 201 | 83.8 Ų | 83.8 | 87% | 0.874 | 42% | 0.418 | S | S | * | . | trans | -90.2 | 106.7 | 170.5 | -65.9 | -175.4 | 180 | -178.7 | 0 | 108.9 | ||||
| 136 | Y | 82.8 | Confident | 90.6 | Very high | 60 Ų | 60 | 79.9 Ų | 79.9 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | trans | -85.7 | 155.9 | 169.2 | -64.8 | -85.4 | 0 | 0 | 0 | 110.1 | S16 N17 R131 R134 T138 | S16-Y136 PolarHBondContact OG-OH 3.22Å; N17-Y136 PolarHBondContact OD1-OH 3.05Å; R131-Y136 HydrophobicContact CG-CE2 3.78Å; R131-Y136 WeakPolarHBondContact CG-OH 3.21Å; R131-Y136 PolarHBondContact NE-OH 2.81Å; R134-Y136 HydrophobicContact CB-CD2 4.45Å; R134-Y136 HydrophobicContact CB-CE2 3.92Å; R134-Y136 HydrophobicContact CG-CD2 4.29Å; R134-Y136 HydrophobicContact CG-CE1 4.33Å; R134-Y136 HydrophobicContact CG-CE2 3.94Å; Y136-T138 VanDerWaalsContact C-N 3.29Å; Y136-T138 WeakPolarHBondContact CB-O 3.37Å; Y136-T138 PolarHBondContact O-N 2.83Å | ||
| 137 | N | 81.8 | Confident | 90.6 | Very high | 175 Ų | 175 | 81 Ų | 81 | 94% | 0.936 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -60.6 | -42.4 | 173.9 | -71.3 | -14.9 | 0 | 0 | 0 | 111.1 | ||
| 138 | T | 79.6 | Confident | 90.6 | Very high | 55 Ų | 55 | 82.5 Ų | 82.5 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -105.9 | 115.9 | 167.4 | -54.5 | 0 | 0 | 0 | 0 | 108 | Y136 | Y136-T138 VanDerWaalsContact C-N 3.29Å; Y136-T138 WeakPolarHBondContact CB-O 3.37Å; Y136-T138 PolarHBondContact O-N 2.83Å |
| 139 | P | 86 | Confident | 90.7 | Very high | 102 Ų | 102 | 80.8 Ų | 80.8 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 143.7 | 176 | -23.3 | 33.5 | 0 | 0 | 0 | 111.7 | P141 | P139-P141 WeakPolarHBondContact O-CD 3.33Š|
| 140 | D | 89.8 | Confident | 90.9 | Very high | 57 Ų | 57 | 77.4 Ų | 77.4 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 124.3 | 173 | -82.9 | -5.8 | 0 | 0 | 0 | 109.6 | R131 Y144 | R131-D140 IonicContact CZ-OD1 3.44Å; R131-D140 IonicContact CZ-OD2 3.9Å; R131-D140 IonicContact NE-OD1 3.16Å; R131-D140 IonicContact NE-OD2 2.75Å; R131-D140 PolarHBondContact NE-OD2 2.83Å; R131-D140 IonicContact NH2-OD1 3.96Å; R131-D140 PolarHBondContact NH2-OD1 3Å; R131-D140 IonicContact NH2-OD2 3.52Å; D140-Y144 HydrophobicContact CB-CD1 4.29Å; D140-Y144 HydrophobicContact CB-CG 4.46Å; D140-Y144 WeakPolarHBondContact OD1-CD1 3.48Å |
| 141 | P | 89.5 | Confident | 91 | Very high | 24 Ų | 24 | 75.3 Ų | 75.3 | 16% | 0.156 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 163.8 | 172.5 | 23.6 | -29.7 | 0 | 0 | 0 | 110.9 | T61 E63 P139 N143 Y144 | T61-P141 HydrophobicContact CG2-CB 4.27Å; E63-P141 HydrophobicContact CB-CG 3.98Å; E63-P141 HydrophobicContact CG-CB 4.18Å; E63-P141 HydrophobicContact CG-CG 4.06Å; P139-P141 WeakPolarHBondContact O-CD 3.33Å; P141-N143 PolarHBondContact O-N 3.47Å; P141-Y144 HydrophobicContact CG-CD2 3.72Å; P141-Y144 HydrophobicContact CG-CG 4.11Å; P141-Y144 WeakPolarHBondContact O-CB 3.41Å; P141-Y144 PolarHBondContact O-N 3.43Å |
| 142 | P | 89.1 | Confident | 91.2 | Very high | 119 Ų | 119 | 75 Ų | 75 | 77% | 0.773 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 131.9 | 178.5 | -27.9 | 35.4 | 0 | 0 | 0 | 112 | Y144 | P142-Y144 PolarHBondContact O-N 3.44Š|
| 143 | N | 91.5 | Very high | 91.6 | Very high | 116 Ų | 116 | 68 Ų | 68 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 6.9 | 178.9 | -157.3 | 35.8 | 0 | 0 | 0 | 116.3 | P141 F145 A146 K147 | P141-N143 PolarHBondContact O-N 3.47Å; N143-F145 VanDerWaalsContact C-N 3.27Å; N143-F145 PolarHBondContact O-N 3.28Å; N143-A146 PolarHBondContact O-N 3.16Å; N143-A146 WeakPolarHBondContact OD1-CB 3.13Å; N143-K147 VanDerWaalsContact O-CB 3.24Å; N143-K147 WeakPolarHBondContact O-CB 3.32Å; N143-K147 PolarHBondContact O-N 2.99Å |
| 144 | Y | 94.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.4 | -40.8 | -178.3 | -173.6 | -96.7 | 0 | 0 | 0 | 113.1 | N65 F66 D67 R131 D140 P141 P142 K147 Y148 V149 | N65-Y144 PolarHBondContact OD1-OH 3.42Å; F66-Y144 PolarHBondContact N-OH 2.74Å; D67-Y144 PolarHBondContact N-OH 2.96Å; D67-Y144 WeakPolarHBondContact OD2-CE1 3.43Å; D67-Y144 PolarHBondContact OD2-OH 2.9Å; R131-Y144 VanDerWaalsContact NH2-CE1 3.35Å; D140-Y144 HydrophobicContact CB-CD1 4.29Å; D140-Y144 HydrophobicContact CB-CG 4.46Å; D140-Y144 WeakPolarHBondContact OD1-CD1 3.48Å; P141-Y144 HydrophobicContact CG-CD2 3.72Å; P141-Y144 HydrophobicContact CG-CG 4.11Å; P141-Y144 WeakPolarHBondContact O-CB 3.41Å; P141-Y144 PolarHBondContact O-N 3.43Å; P142-Y144 PolarHBondContact O-N 3.44Å; Y144-K147 PolarHBondContact O-N 2.96Å; Y144-Y148 AromaticContact CD2-CD2 3.5Å; Y144-Y148 HydrophobicContact CD2-CD2 3.5Å; Y144-Y148 HydrophobicContact CD2-CE2 4.19Å; Y144-Y148 HydrophobicContact CD2-CG 4.39Å; Y144-Y148 AromaticContact CE2-CD2 3.64Å; Y144-Y148 HydrophobicContact CE2-CD2 3.64Å; Y144-Y148 HydrophobicContact CE2-CE2 4.38Å; Y144-Y148 HydrophobicContact CE2-CG 4.19Å; Y144-Y148 HydrophobicContact CG-CD2 4.25Å; Y144-Y148 PolarHBondContact O-N 3.48Å; Y144-V149 HydrophobicContact CD1-CG2 3.5Å; Y144-V149 HydrophobicContact CE1-CG2 3.43Å; Y144-V149 VanDerWaalsContact CE1-CG2 3.43Å; Y144-V149 PolarHBondContact O-N 3.12Å |
| 145 | F | 95.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -59.3 | -53.4 | 179.1 | -177.4 | -99.3 | 0 | 0 | 0 | 113.2 | Y124 M127 L128 N143 K147 V149 W150 | Y124-F145 AromaticContact CD2-CE1 3.9Å; Y124-F145 HydrophobicContact CD2-CE1 3.9Å; Y124-F145 HydrophobicContact CE2-CD1 4.15Å; Y124-F145 AromaticContact CE2-CE1 3.49Å; Y124-F145 HydrophobicContact CE2-CE1 3.49Å; Y124-F145 VanDerWaalsContact CE2-CE1 3.49Å; Y124-F145 HydrophobicContact CE2-CZ 4.5Å; Y124-F145 AromaticContact CZ-CE1 3.84Å; M127-F145 HydrophobicContact CB-CE2 4.36Å; M127-F145 HydrophobicContact CB-CZ 4.04Å; M127-F145 HydrophobicContact CE-CE2 3.91Å; M127-F145 HydrophobicContact CG-CE2 3.75Å; M127-F145 HydrophobicContact CG-CZ 3.89Å; M127-F145 HydrophobicContact SD-CE2 3.7Å; M127-F145 HydrophobicContact SD-CZ 3.75Å; L128-F145 HydrophobicContact CB-CD1 4.36Å; L128-F145 HydrophobicContact CB-CE1 3.83Å; L128-F145 HydrophobicContact CB-CZ 3.99Å; L128-F145 HydrophobicContact CD1-CB 4.28Å; L128-F145 HydrophobicContact CD1-CD1 3.63Å; L128-F145 HydrophobicContact CD1-CD2 4.47Å; L128-F145 HydrophobicContact CD1-CE1 3.99Å; L128-F145 HydrophobicContact CD1-CG 3.86Å; L128-F145 HydrophobicContact CG-CD1 4.45Å; L128-F145 HydrophobicContact CG-CE1 4.38Å; N143-F145 VanDerWaalsContact C-N 3.27Å; N143-F145 PolarHBondContact O-N 3.28Å; F145-K147 VanDerWaalsContact C-N 3.29Å; F145-K147 PolarHBondContact O-N 2.85Å; F145-V149 HydrophobicContact CD2-CB 3.66Å; F145-V149 HydrophobicContact CD2-CG1 3.63Å; F145-V149 HydrophobicContact CD2-CG2 4.18Å; F145-V149 HydrophobicContact CE2-CB 4.19Å; F145-V149 HydrophobicContact CE2-CG1 3.73Å; F145-V149 HydrophobicContact CG-CB 4.33Å; F145-V149 WeakPolarHBondContact O-CB 3.18Å; F145-V149 PolarHBondContact O-N 2.83Å; F145-W150 HydrophobicContact CD1-CB 4.4Å; F145-W150 HydrophobicContact CE1-CB 4Å; F145-W150 HydrophobicContact CZ-CB 4.19Å; F145-W150 HydrophobicContact CZ-CE3 4.17Å; F145-W150 PolarHBondContact O-N 3.48Å |
| 146 | A | 95.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -72.9 | -26.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N143 P151 | N143-A146 PolarHBondContact O-N 3.16Å; N143-A146 WeakPolarHBondContact OD1-CB 3.13Å; A146-P151 VanDerWaalsContact O-CD 3.31Å; A146-P151 WeakPolarHBondContact O-CD 3.31Å; A146-P151 VanDerWaalsContact O-CG 3.24Å; A146-P151 WeakPolarHBondContact O-CG 3.42Å |
| 147 | K | 96.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 55 Ų | 55 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -81.6 | -39.2 | -179 | -168.5 | 171.8 | -178.3 | -177.5 | 0 | 113.6 | D58 N143 Y144 F145 | D58-K147 IonicContact OD1-NZ 3.8Å; D58-K147 WeakPolarHBondContact OD2-CE 3.39Å; D58-K147 IonicContact OD2-NZ 2.64Å; D58-K147 PolarHBondContact OD2-NZ 2.76Å; N143-K147 VanDerWaalsContact O-CB 3.24Å; N143-K147 WeakPolarHBondContact O-CB 3.32Å; N143-K147 PolarHBondContact O-N 2.99Å; Y144-K147 PolarHBondContact O-N 2.96Å; F145-K147 VanDerWaalsContact C-N 3.29Å; F145-K147 PolarHBondContact O-N 2.85Å |
| 148 | Y | 96.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -124 | -54.3 | -170.6 | -62.5 | -66.2 | 0 | 0 | 0 | 113 | D58 N65 Y144 T152 | D58-Y148 HydrophobicContact CB-CE2 4.19Å; D58-Y148 WeakPolarHBondContact CB-OH 3.14Å; D58-Y148 WeakPolarHBondContact OD2-CE2 3.36Å; D58-Y148 PolarHBondContact OD2-OH 2.83Å; N65-Y148 HydrophobicContact CB-CD1 4.2Å; N65-Y148 HydrophobicContact CB-CE1 4.32Å; N65-Y148 HydrophobicContact CB-CG 4.44Å; N65-Y148 VanDerWaalsContact ND2-CD1 3.26Å; N65-Y148 WeakPolarHBondContact ND2-CD1 3.5Å; Y144-Y148 AromaticContact CD2-CD2 3.5Å; Y144-Y148 HydrophobicContact CD2-CD2 3.5Å; Y144-Y148 HydrophobicContact CD2-CE2 4.19Å; Y144-Y148 HydrophobicContact CD2-CG 4.39Å; Y144-Y148 AromaticContact CE2-CD2 3.64Å; Y144-Y148 HydrophobicContact CE2-CD2 3.64Å; Y144-Y148 HydrophobicContact CE2-CE2 4.38Å; Y144-Y148 HydrophobicContact CE2-CG 4.19Å; Y144-Y148 HydrophobicContact CG-CD2 4.25Å; Y144-Y148 PolarHBondContact O-N 3.48Å; Y148-T152 VanDerWaalsContact O-CB 3.23Å; Y148-T152 WeakPolarHBondContact O-CB 3.46Å; Y148-T152 PolarHBondContact O-N 2.98Å; Y148-T152 PolarHBondContact O-OG1 3.46Å |
| 149 | V | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -62.6 | -56.6 | -170.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | M127 R131 Y144 F145 T152 Y153 | M127-V149 HydrophobicContact CE-CG1 3.32Å; R131-V149 VanDerWaalsContact NH1-CG1 3.28Å; R131-V149 VanDerWaalsContact NH1-CG2 3.35Å; Y144-V149 HydrophobicContact CD1-CG2 3.5Å; Y144-V149 HydrophobicContact CE1-CG2 3.43Å; Y144-V149 VanDerWaalsContact CE1-CG2 3.43Å; Y144-V149 PolarHBondContact O-N 3.12Å; F145-V149 HydrophobicContact CD2-CB 3.66Å; F145-V149 HydrophobicContact CD2-CG1 3.63Å; F145-V149 HydrophobicContact CD2-CG2 4.18Å; F145-V149 HydrophobicContact CE2-CB 4.19Å; F145-V149 HydrophobicContact CE2-CG1 3.73Å; F145-V149 HydrophobicContact CG-CB 4.33Å; F145-V149 WeakPolarHBondContact O-CB 3.18Å; F145-V149 PolarHBondContact O-N 2.83Å; V149-T152 PolarHBondContact O-N 2.89Å; V149-Y153 PolarHBondContact O-N 2.75Å; V149-Y153 VanDerWaalsContact O-N 3.09Å |
| 150 | W | 97.7 | Very high | 95.3 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | -177.9 | -177 | -108.2 | 0 | 0 | 0 | 112.2 | Y124 M127 F145 T152 Y153 L154 | Y124-W150 HydrophobicContact CD2-CB 4.44Å; Y124-W150 AromaticContact CD2-CD1 3.81Å; Y124-W150 AromaticContact CD2-CD2 3.49Å; Y124-W150 HydrophobicContact CD2-CD2 3.49Å; Y124-W150 VanDerWaalsContact CD2-CD2 3.49Å; Y124-W150 AromaticContact CD2-CE2 3.53Å; Y124-W150 AromaticContact CD2-CE3 3.96Å; Y124-W150 HydrophobicContact CD2-CE3 3.96Å; Y124-W150 AromaticContact CD2-CG 3.68Å; Y124-W150 HydrophobicContact CD2-CG 3.68Å; Y124-W150 HydrophobicContact CD2-CH2 4.46Å; Y124-W150 HydrophobicContact CD2-CZ2 4.05Å; Y124-W150 HydrophobicContact CD2-CZ3 4.42Å; Y124-W150 AromaticContact CD2-NE1 3.7Å; Y124-W150 HydrophobicContact CE2-CB 4.31Å; Y124-W150 AromaticContact CE2-CD1 3.97Å; Y124-W150 HydrophobicContact CE2-CD2 4.2Å; Y124-W150 AromaticContact CE2-CG 3.9Å; Y124-W150 HydrophobicContact CE2-CG 3.9Å; Y124-W150 HydrophobicContact CG-CD2 4.46Å; Y124-W150 HydrophobicContact CG-CZ2 4.42Å; M127-W150 HydrophobicContact SD-CE3 3.57Å; M127-W150 VanDerWaalsContact SD-CE3 3.57Å; M127-W150 HydrophobicContact SD-CZ3 3.78Å; F145-W150 HydrophobicContact CD1-CB 4.4Å; F145-W150 HydrophobicContact CE1-CB 4Å; F145-W150 HydrophobicContact CZ-CB 4.19Å; F145-W150 HydrophobicContact CZ-CE3 4.17Å; F145-W150 PolarHBondContact O-N 3.48Å; W150-T152 VanDerWaalsContact C-N 3.3Å; W150-T152 PolarHBondContact O-N 3.38Å; W150-Y153 HydrophobicContact CD2-CD1 4.37Å; W150-Y153 AromaticContact CE3-CD1 3.77Å; W150-Y153 HydrophobicContact CE3-CD1 3.77Å; W150-Y153 HydrophobicContact CE3-CE1 4.4Å; W150-Y153 AromaticContact CH2-CD1 3.86Å; W150-Y153 HydrophobicContact CH2-CD1 3.86Å; W150-Y153 AromaticContact CH2-CE1 3.72Å; W150-Y153 HydrophobicContact CH2-CE1 3.72Å; W150-Y153 HydrophobicContact CZ2-CD1 4.44Å; W150-Y153 AromaticContact CZ3-CD1 3.48Å; W150-Y153 HydrophobicContact CZ3-CD1 3.48Å; W150-Y153 VanDerWaalsContact CZ3-CD1 3.48Å; W150-Y153 AromaticContact CZ3-CE1 3.65Å; W150-Y153 HydrophobicContact CZ3-CE1 3.65Å; W150-Y153 WeakPolarHBondContact O-CB 3.35Å; W150-Y153 PolarHBondContact O-N 2.88Å; W150-L154 HydrophobicContact CZ2-CD2 3.94Å; W150-L154 HydrophobicContact CZ2-CG 4.49Å; W150-L154 PolarHBondContact O-N 2.7Å |
| 151 | P | 97.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 174.2 | -28.4 | 38.2 | 0 | 0 | 0 | 114 | A146 L154 R155 | A146-P151 VanDerWaalsContact O-CD 3.31Å; A146-P151 WeakPolarHBondContact O-CD 3.31Å; A146-P151 VanDerWaalsContact O-CG 3.24Å; A146-P151 WeakPolarHBondContact O-CG 3.42Å; P151-L154 PolarHBondContact O-N 2.94Å; P151-R155 WeakPolarHBondContact O-CG 3.49Å; P151-R155 PolarHBondContact O-N 3.48Å |
| 152 | T | 97.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.5 | -74 | 0 | 0 | 0 | 0 | 112.2 | D67 L103 Y148 V149 W150 R155 T156 | D67-T152 HydrophobicContact CB-CG2 4.34Å; D67-T152 WeakPolarHBondContact O-CB 3.47Å; D67-T152 VanDerWaalsContact O-CG2 3.25Å; D67-T152 WeakPolarHBondContact O-CG2 3.38Å; D67-T152 PolarHBondContact O-OG1 3.28Å; L103-T152 HydrophobicContact CD2-CG2 3.5Å; L103-T152 VanDerWaalsContact CD2-CG2 3.5Å; Y148-T152 VanDerWaalsContact O-CB 3.23Å; Y148-T152 WeakPolarHBondContact O-CB 3.46Å; Y148-T152 PolarHBondContact O-N 2.98Å; Y148-T152 PolarHBondContact O-OG1 3.46Å; V149-T152 PolarHBondContact O-N 2.89Å; W150-T152 VanDerWaalsContact C-N 3.3Å; W150-T152 PolarHBondContact O-N 3.38Å; T152-R155 PolarHBondContact O-N 3.05Å; T152-R155 PolarHBondContact OG1-NH2 3.23Å; T152-T156 WeakPolarHBondContact O-CB 2.98Å; T152-T156 PolarHBondContact O-N 3.16Å; T152-T156 PolarHBondContact O-OG1 2.75Å |
| 153 | Y | 97.8 | Very high | 96 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.8 | 169 | -112.4 | 0 | 0 | 0 | 112 | A15 F119 I122 V149 W150 T156 L157 | A15-Y153 HydrophobicContact CB-CD2 3.54Å; A15-Y153 HydrophobicContact CB-CE2 3.55Å; A15-Y153 HydrophobicContact CB-CG 4.11Å; F119-Y153 HydrophobicContact CE1-CD2 4.45Å; F119-Y153 AromaticContact CE1-CE2 3.66Å; F119-Y153 HydrophobicContact CE1-CE2 3.66Å; F119-Y153 HydrophobicContact CZ-CD2 4.2Å; F119-Y153 AromaticContact CZ-CE2 3.86Å; F119-Y153 HydrophobicContact CZ-CE2 3.86Å; I122-Y153 PolarHBondContact N-OH 3.45Å; V149-Y153 PolarHBondContact O-N 2.75Å; V149-Y153 VanDerWaalsContact O-N 3.09Å; W150-Y153 HydrophobicContact CD2-CD1 4.37Å; W150-Y153 AromaticContact CE3-CD1 3.77Å; W150-Y153 HydrophobicContact CE3-CD1 3.77Å; W150-Y153 HydrophobicContact CE3-CE1 4.4Å; W150-Y153 AromaticContact CH2-CD1 3.86Å; W150-Y153 HydrophobicContact CH2-CD1 3.86Å; W150-Y153 AromaticContact CH2-CE1 3.72Å; W150-Y153 HydrophobicContact CH2-CE1 3.72Å; W150-Y153 HydrophobicContact CZ2-CD1 4.44Å; W150-Y153 AromaticContact CZ3-CD1 3.48Å; W150-Y153 HydrophobicContact CZ3-CD1 3.48Å; W150-Y153 VanDerWaalsContact CZ3-CD1 3.48Å; W150-Y153 AromaticContact CZ3-CE1 3.65Å; W150-Y153 HydrophobicContact CZ3-CE1 3.65Å; W150-Y153 WeakPolarHBondContact O-CB 3.35Å; W150-Y153 PolarHBondContact O-N 2.88Å; Y153-T156 WeakPolarHBondContact O-CB 3.28Å; Y153-T156 PolarHBondContact O-N 3.02Å; Y153-L157 HydrophobicContact CD1-CD1 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.74Å; Y153-L157 HydrophobicContact CE2-CD1 4.16Å; Y153-L157 HydrophobicContact CE2-CD2 4.47Å; Y153-L157 HydrophobicContact CE2-CG 4.21Å; Y153-L157 PolarHBondContact O-N 2.97Å |
| 154 | L | 97.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.7 | -65.4 | -177.7 | 0 | 0 | 0 | 111.9 | W150 P151 T156 L157 D158 | W150-L154 HydrophobicContact CZ2-CD2 3.94Å; W150-L154 HydrophobicContact CZ2-CG 4.49Å; W150-L154 PolarHBondContact O-N 2.7Å; P151-L154 PolarHBondContact O-N 2.94Å; L154-T156 PolarHBondContact O-N 3.41Å; L154-L157 WeakPolarHBondContact O-CB 3.39Å; L154-L157 PolarHBondContact O-N 2.69Å; L154-D158 PolarHBondContact O-N 3.44Å |
| 155 | R | 97.1 | Very high | 95.6 | Very high | 123 Ų | 123 | 62 Ų | 62 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.4 | -38.4 | 174.9 | -77.4 | -170.6 | -64.9 | -95.6 | 0.9 | 112.7 | P151 T152 D158 I159 | P151-R155 WeakPolarHBondContact O-CG 3.49Å; P151-R155 PolarHBondContact O-N 3.48Å; T152-R155 PolarHBondContact O-N 3.05Å; T152-R155 PolarHBondContact OG1-NH2 3.23Å; R155-D158 PolarHBondContact O-N 3.39Å; R155-I159 WeakPolarHBondContact O-CD1 3.19Å; R155-I159 VanDerWaalsContact O-CG1 3.24Å; R155-I159 WeakPolarHBondContact O-CG1 3.45Å; R155-I159 PolarHBondContact O-N 2.93Å |
| 156 | T | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | N106 F119 T152 Y153 L154 D158 I159 L160 | N106-T156 PolarHBondContact ND2-OG1 3.42Å; N106-T156 VanDerWaalsContact OD1-CG2 3.26Å; N106-T156 WeakPolarHBondContact OD1-CG2 3.37Å; N106-T156 PolarHBondContact OD1-OG1 3.24Å; F119-T156 HydrophobicContact CE2-CG2 3.57Å; F119-T156 HydrophobicContact CZ-CG2 3.89Å; T152-T156 WeakPolarHBondContact O-CB 2.98Å; T152-T156 PolarHBondContact O-N 3.16Å; T152-T156 PolarHBondContact O-OG1 2.75Å; Y153-T156 WeakPolarHBondContact O-CB 3.28Å; Y153-T156 PolarHBondContact O-N 3.02Å; L154-T156 PolarHBondContact O-N 3.41Å; T156-D158 PolarHBondContact O-N 3.41Å; T156-I159 PolarHBondContact O-N 3.33Å; T156-L160 HydrophobicContact CG2-CD1 3.98Å; T156-L160 HydrophobicContact CG2-CG 4.47Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 3.45Å |
| 157 | L | 96.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 174.5 | -70.2 | 175 | 0 | 0 | 0 | 112.1 | F119 K121 Y153 L154 I159 L160 E161 Y169 | F119-L157 HydrophobicContact CD1-CD2 4.09Å; F119-L157 HydrophobicContact CE1-CD2 3.43Å; F119-L157 VanDerWaalsContact CE1-CD2 3.43Å; F119-L157 HydrophobicContact CE1-CG 4.31Å; F119-L157 HydrophobicContact CZ-CD2 3.89Å; F119-L157 HydrophobicContact CZ-CG 4.45Å; K121-L157 VanDerWaalsContact CE-CD2 3.46Å; K121-L157 HydrophobicContact CG-CD2 4.49Å; Y153-L157 HydrophobicContact CD1-CD1 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.74Å; Y153-L157 HydrophobicContact CE2-CD1 4.16Å; Y153-L157 HydrophobicContact CE2-CD2 4.47Å; Y153-L157 HydrophobicContact CE2-CG 4.21Å; Y153-L157 PolarHBondContact O-N 2.97Å; L154-L157 WeakPolarHBondContact O-CB 3.39Å; L154-L157 PolarHBondContact O-N 2.69Å; L157-I159 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 3.38Å; L157-E161 PolarHBondContact O-N 3.48Å; L157-Y169 HydrophobicContact CD2-CE1 4.34Å |
| 158 | D | 96.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 63.5 Ų | 63.5 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 178.5 | -63.3 | -23 | 0 | 0 | 0 | 111.8 | L154 R155 T156 L160 E161 Y162 | L154-D158 PolarHBondContact O-N 3.44Å; R155-D158 PolarHBondContact O-N 3.39Å; T156-D158 PolarHBondContact O-N 3.41Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.38Å; D158-E161 PolarHBondContact O-N 2.9Å; D158-Y162 WeakPolarHBondContact O-CB 3.27Å; D158-Y162 PolarHBondContact O-N 3.47Å |
| 159 | I | 95.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 66.5 Ų | 66.5 | 35% | 0.354 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 176 | -71.9 | 163.7 | 0 | 0 | 0 | 110.5 | N106 R155 T156 L157 Y162 S163 | N106-I159 HydrophobicContact CB-CD1 4.5Å; R155-I159 WeakPolarHBondContact O-CD1 3.19Å; R155-I159 VanDerWaalsContact O-CG1 3.24Å; R155-I159 WeakPolarHBondContact O-CG1 3.45Å; R155-I159 PolarHBondContact O-N 2.93Å; T156-I159 PolarHBondContact O-N 3.33Å; L157-I159 PolarHBondContact O-N 3.48Å; I159-Y162 PolarHBondContact O-N 3.33Å; I159-S163 WeakPolarHBondContact O-CB 3.35Å; I159-S163 PolarHBondContact O-N 2.76Å |
| 160 | L | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -38.3 | -176.8 | -66.4 | 174.8 | 0 | 0 | 0 | 112 | M105 F119 T156 L157 D158 Y162 S163 I167 | M105-L160 HydrophobicContact CB-CD1 4.37Å; M105-L160 HydrophobicContact CB-CD2 3.65Å; M105-L160 HydrophobicContact SD-CD1 4.39Å; M105-L160 HydrophobicContact SD-CD2 4.39Å; F119-L160 HydrophobicContact CD2-CD1 3.33Å; F119-L160 HydrophobicContact CE2-CD1 3.42Å; F119-L160 VanDerWaalsContact CE2-CD1 3.42Å; F119-L160 HydrophobicContact CG-CD1 4.11Å; F119-L160 HydrophobicContact CZ-CD1 4.22Å; T156-L160 HydrophobicContact CG2-CD1 3.98Å; T156-L160 HydrophobicContact CG2-CG 4.47Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.38Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.38Å; L160-Y162 VanDerWaalsContact C-N 3.35Å; L160-S163 PolarHBondContact O-N 3.48Å; L160-S163 PolarHBondContact O-OG 2.84Å; L160-I167 HydrophobicContact CB-CD1 3.63Å; L160-I167 HydrophobicContact CD1-CD1 4.14Å; L160-I167 HydrophobicContact CD2-CD1 3.47Å; L160-I167 VanDerWaalsContact CD2-CD1 3.47Å; L160-I167 HydrophobicContact CG-CD1 3.89Å |
| 161 | E | 94.6 | Very high | 95.7 | Very high | 152 Ų | 152 | 68.1 Ų | 68.1 | 71% | 0.71 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 172.6 | -175 | 169.4 | -170 | 0 | 0 | 111.6 | L157 D158 S163 | L157-E161 PolarHBondContact O-N 3.48Å; D158-E161 PolarHBondContact O-N 2.9Å; E161-S163 PolarHBondContact O-N 2.63Å |
| 162 | Y | 94.1 | Very high | 95.6 | Very high | 207 Ų | 207 | 66.5 Ų | 66.5 | 81% | 0.812 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.9 | -33.7 | 177.9 | -171.5 | -95.7 | 0 | 0 | 0 | 113.3 | D158 I159 L160 K164 | D158-Y162 WeakPolarHBondContact O-CB 3.27Å; D158-Y162 PolarHBondContact O-N 3.47Å; I159-Y162 PolarHBondContact O-N 3.33Å; L160-Y162 VanDerWaalsContact C-N 3.35Å; Y162-K164 PolarHBondContact O-N 2.97Å |
| 163 | S | 92.7 | Very high | 95.4 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -27.7 | -176.6 | 73.5 | 0 | 0 | 0 | 0 | 114 | I159 L160 E161 D165 | I159-S163 WeakPolarHBondContact O-CB 3.35Å; I159-S163 PolarHBondContact O-N 2.76Å; L160-S163 PolarHBondContact O-N 3.48Å; L160-S163 PolarHBondContact O-OG 2.84Å; E161-S163 PolarHBondContact O-N 2.63Å; S163-D165 PolarHBondContact O-N 3.39Å; S163-D165 VanDerWaalsContact O-N 3.15Å; S163-D165 PolarHBondContact OG-N 2.97Å; S163-D165 PolarHBondContact OG-OD2 2.89Å |
| 164 | K | 86.6 | Confident | 94.8 | Very high | 194 Ų | 194 | 71.7 Ų | 71.7 | 84% | 0.843 | 34% | 0.341 | S | S | * | . | trans | 56 | 17 | -169.9 | -56.2 | -177.8 | 179.8 | 179.8 | 0 | 114.4 | Y162 | Y162-K164 PolarHBondContact O-N 2.97Š| ||
| 165 | D | 91.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | trans | -65.9 | 147.7 | 173.1 | -71.1 | -35.5 | 0 | 0 | 0 | 110.4 | R111 S163 I167 | R111-D165 VanDerWaalsContact CD-OD2 3.31Å; R111-D165 WeakPolarHBondContact CD-OD2 3.24Å; R111-D165 IonicContact CZ-OD2 3.62Å; R111-D165 IonicContact NE-OD2 2.69Å; R111-D165 PolarHBondContact NE-OD2 3.42Å; R111-D165 IonicContact NH2-OD2 3.7Å; S163-D165 PolarHBondContact O-N 3.39Å; S163-D165 VanDerWaalsContact O-N 3.15Å; S163-D165 PolarHBondContact OG-N 2.97Å; S163-D165 PolarHBondContact OG-OD2 2.89Å; D165-I167 HydrophobicContact CB-CD1 4.3Å; D165-I167 HydrophobicContact CB-CG1 4.23Å; D165-I167 PolarHBondContact O-N 3.04Å; D165-I167 VanDerWaalsContact O-N 3.12Å | ||
| 166 | S | 95.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 68.4 Ų | 68.4 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -70.7 | 109.6 | 171.3 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 167 | I | 96.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 75.5 Ų | 75.5 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | trans | -127.5 | 130.6 | -179.5 | -59.9 | 165.2 | 0 | 0 | 0 | 108.8 | R117 F119 L160 D165 Y169 | R117-I167 HydrophobicContact CB-CG1 4.1Å; R117-I167 CarbonylContact O-C 3.59Å; R117-I167 WeakPolarHBondContact O-CA 3.27Å; F119-I167 HydrophobicContact CB-CG2 3.65Å; L160-I167 HydrophobicContact CB-CD1 3.63Å; L160-I167 HydrophobicContact CD1-CD1 4.14Å; L160-I167 HydrophobicContact CD2-CD1 3.47Å; L160-I167 VanDerWaalsContact CD2-CD1 3.47Å; L160-I167 HydrophobicContact CG-CD1 3.89Å; D165-I167 HydrophobicContact CB-CD1 4.3Å; D165-I167 HydrophobicContact CB-CG1 4.23Å; D165-I167 PolarHBondContact O-N 3.04Å; D165-I167 VanDerWaalsContact O-N 3.12Å; I167-Y169 HydrophobicContact CB-CE2 3.88Å; I167-Y169 HydrophobicContact CG2-CD1 4.38Å; I167-Y169 HydrophobicContact CG2-CD2 4.3Å; I167-Y169 HydrophobicContact CG2-CE1 3.93Å; I167-Y169 HydrophobicContact CG2-CE2 3.83Å; I167-Y169 WeakPolarHBondContact O-CD2 3.5Å | ||
| 168 | Y | 97.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 77.2 Ų | 77.2 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.8 | 177.8 | -66.3 | -96 | 0 | 0 | 0 | 109.4 | L116 R117 I118 F119 K190 | L116-Y168 HydrophobicContact CD1-CD2 3.5Å; L116-Y168 VanDerWaalsContact CD1-CD2 3.5Å; L116-Y168 HydrophobicContact CD1-CE2 3.74Å; L116-Y168 HydrophobicContact CD1-CG 4.35Å; R117-Y168 PolarHBondContact O-N 3.25Å; I118-Y168 CarbonylContact C-O 3.59Å; I118-Y168 WeakPolarHBondContact CA-O 3.19Å; F119-Y168 PolarHBondContact N-O 2.75Å; Y168-K190 WeakPolarHBondContact OH-CE 3.36Å; Y168-K190 PolarHBondContact OH-NZ 3.34Å; Y168-K190 VanDerWaalsContact OH-NZ 3.13Å |
| 169 | Y | 97 | Very high | 94.1 | Very high | 93 Ų | 93 | 72.7 Ų | 72.7 | 37% | 0.365 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.8 | -178 | -63 | -86.8 | 0 | 0 | 0 | 111 | F119 K121 L157 I167 | F119-Y169 HydrophobicContact CB-CD1 3.74Å; F119-Y169 HydrophobicContact CB-CE1 3.84Å; F119-Y169 AromaticContact CD1-CD1 3.85Å; F119-Y169 HydrophobicContact CD1-CD1 3.85Å; F119-Y169 AromaticContact CD1-CE1 3.92Å; F119-Y169 HydrophobicContact CD1-CE1 3.92Å; F119-Y169 HydrophobicContact CG-CD1 4.1Å; F119-Y169 AromaticContact CG-CE1 3.98Å; F119-Y169 HydrophobicContact CG-CE1 3.98Å; F119-Y169 WeakPolarHBondContact O-CA 3.45Å; K121-Y169 HydrophobicContact CD-CD1 3.96Å; K121-Y169 HydrophobicContact CD-CG 4.47Å; K121-Y169 HydrophobicContact CG-CD1 4.09Å; L157-Y169 HydrophobicContact CD2-CE1 4.34Å; I167-Y169 HydrophobicContact CB-CE2 3.88Å; I167-Y169 HydrophobicContact CG2-CD1 4.38Å; I167-Y169 HydrophobicContact CG2-CD2 4.3Å; I167-Y169 HydrophobicContact CG2-CE1 3.93Å; I167-Y169 HydrophobicContact CG2-CE2 3.83Å; I167-Y169 WeakPolarHBondContact O-CD2 3.5Å |
| 170 | F | 97.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 71.6 Ų | 71.6 | 11% | 0.114 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.6 | 176.3 | -63.4 | -93 | 0 | 0 | 0 | 111.4 | I118 F119 L120 K121 L179 E182 I183 C186 | I118-F170 HydrophobicContact CD1-CE2 4.44Å; I118-F170 HydrophobicContact CG1-CE2 4.18Å; I118-F170 HydrophobicContact CG2-CD2 3.69Å; I118-F170 HydrophobicContact CG2-CE2 3.86Å; F119-F170 PolarHBondContact O-N 3.14Å; L120-F170 HydrophobicContact CD2-CB 4Å; K121-F170 PolarHBondContact N-O 2.76Å; F170-L179 HydrophobicContact CB-CD1 3.61Å; F170-L179 HydrophobicContact CG-CD1 4.47Å; F170-E182 HydrophobicContact CD1-CB 3.71Å; F170-E182 HydrophobicContact CE1-CB 3.74Å; F170-I183 HydrophobicContact CD1-CG1 4.15Å; F170-I183 HydrophobicContact CD2-CG1 4.14Å; F170-I183 HydrophobicContact CE1-CG1 4.36Å; F170-I183 HydrophobicContact CE2-CG1 4.33Å; F170-I183 HydrophobicContact CG-CG1 4.03Å; F170-I183 HydrophobicContact CZ-CG1 4.44Å; F170-C186 HydrophobicContact CE1-CB 4.37Å; F170-C186 HydrophobicContact CZ-CB 3.62Å |
| 171 | D | 96.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 78.5 Ų | 78.5 | 32% | 0.316 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 111.3 | -179.3 | -170.7 | -5.3 | 0 | 0 | 0 | 111.4 | N173 | D171-N173 PolarHBondContact O-N 3.2Å; D171-N173 WeakPolarHBondContact OD1-CB 3.18Å; D171-N173 PolarHBondContact OD1-N 3.09Å; D171-N173 PolarHBondContact OD1-ND2 3.42Å |
| 172 | S | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 0 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | S18 L120 K121 R130 | S18-S172 VanDerWaalsContact O-CB 3.24Å; S18-S172 WeakPolarHBondContact O-CB 3.46Å; S18-S172 PolarHBondContact O-OG 2.89Å; L120-S172 WeakPolarHBondContact CB-OG 3.25Å; K121-S172 WeakPolarHBondContact O-CB 3.45Å; K121-S172 PolarHBondContact O-N 3.25Å; K121-S172 PolarHBondContact O-OG 3.4Å; R130-S172 PolarHBondContact NH1-O 3.37Å; R130-S172 PolarHBondContact NH2-O 3.23Å |
| 173 | N | 94.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 64.7 Ų | 64.7 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23 | 179.2 | -58.7 | -55.2 | 0 | 0 | 0 | 112.7 | I122 N126 D171 G175 | I122-N173 WeakPolarHBondContact CG1-OD1 3.25Å; N126-N173 PolarHBondContact ND2-OD1 2.94Å; D171-N173 PolarHBondContact O-N 3.2Å; D171-N173 WeakPolarHBondContact OD1-CB 3.18Å; D171-N173 PolarHBondContact OD1-N 3.09Å; D171-N173 PolarHBondContact OD1-ND2 3.42Å; N173-G175 PolarHBondContact O-N 2.86Å; N173-G175 VanDerWaalsContact O-N 3.11Å |
| 174 | N | 85.5 | Confident | 94.8 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -84.8 | 21 | -168.9 | -64.9 | -25.3 | 0 | 0 | 0 | 115.4 | T178 | N174-T178 HydrophobicContact CB-CG2 4.2Å; N174-T178 VanDerWaalsContact O-CB 3.27Å; N174-T178 WeakPolarHBondContact O-CB 3.44Å; N174-T178 PolarHBondContact O-OG1 3.43Å |
| 175 | G | 90.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | trans | 80.5 | 159 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N173 E177 L179 | N173-G175 PolarHBondContact O-N 2.86Å; N173-G175 VanDerWaalsContact O-N 3.11Å; G175-E177 PolarHBondContact O-N 3.32Å; G175-L179 WeakPolarHBondContact O-CB 3.5Å; G175-L179 PolarHBondContact O-N 2.96Å | ||
| 176 | I | 92.2 | Very high | 95.6 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.3 | -31.3 | -168.3 | -160.6 | 164.6 | 0 | 0 | 0 | 113.7 | T22 M23 F180 | T22-I176 HydrophobicContact CG2-CD1 3.42Å; T22-I176 VanDerWaalsContact CG2-CD1 3.42Å; T22-I176 HydrophobicContact CG2-CG1 4.43Å; M23-I176 HydrophobicContact CE-CD1 3.99Å; M23-I176 HydrophobicContact CE-CG1 3.36Å; I176-F180 VanDerWaalsContact O-CB 3.24Å; I176-F180 WeakPolarHBondContact O-CB 3.49Å; I176-F180 PolarHBondContact O-N 3.42Å |
| 177 | E | 95.3 | Very high | 95.8 | Very high | 153 Ų | 153 | 55.2 Ų | 55.2 | 72% | 0.715 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.6 | -46.8 | -178.1 | -65.7 | -177.9 | 173.9 | 0 | 0 | 111.6 | G175 L179 F180 K181 | G175-E177 PolarHBondContact O-N 3.32Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.15Å; E177-F180 PolarHBondContact O-N 2.83Å; E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 PolarHBondContact O-N 3.04Å |
| 178 | T | 96.2 | Very high | 95.7 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.4 | -51.3 | 173.9 | -48.5 | 0 | 0 | 0 | 0 | 110.2 | N174 F180 K181 E182 | N174-T178 HydrophobicContact CB-CG2 4.2Å; N174-T178 VanDerWaalsContact O-CB 3.27Å; N174-T178 WeakPolarHBondContact O-CB 3.44Å; N174-T178 PolarHBondContact O-OG1 3.43Å; T178-F180 VanDerWaalsContact C-N 3.33Å; T178-F180 PolarHBondContact O-N 3.29Å; T178-K181 PolarHBondContact O-N 2.7Å; T178-E182 WeakPolarHBondContact O-CG 3.48Å; T178-E182 PolarHBondContact O-N 3.18Å |
| 179 | L | 96.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 179.5 | -177.6 | 63.1 | 0 | 0 | 0 | 111.8 | M23 L120 F170 G175 E177 K181 E182 I183 | M23-L179 HydrophobicContact CG-CD2 3.79Å; M23-L179 HydrophobicContact CG-CG 4.19Å; M23-L179 HydrophobicContact SD-CB 4.23Å; M23-L179 HydrophobicContact SD-CD2 3.77Å; M23-L179 HydrophobicContact SD-CG 3.75Å; L120-L179 HydrophobicContact CD1-CD2 4.46Å; L120-L179 HydrophobicContact CD2-CD1 4.25Å; F170-L179 HydrophobicContact CB-CD1 3.61Å; F170-L179 HydrophobicContact CG-CD1 4.47Å; G175-L179 WeakPolarHBondContact O-CB 3.5Å; G175-L179 PolarHBondContact O-N 2.96Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.15Å; L179-K181 PolarHBondContact O-N 3.47Å; L179-E182 PolarHBondContact O-N 2.84Å; L179-I183 HydrophobicContact CD1-CD1 3.93Å; L179-I183 HydrophobicContact CD1-CG1 4.38Å; L179-I183 HydrophobicContact CG-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CB 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.39Å; L179-I183 PolarHBondContact O-N 2.87Å |
| 180 | F | 97.7 | Very high | 95.6 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 20% | 0.202 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 179.3 | 177.6 | -114 | 0 | 0 | 0 | 112.2 | M23 K26 I176 E177 T178 I183 C184 | M23-F180 HydrophobicContact CE-CB 4.28Å; M23-F180 HydrophobicContact SD-CB 3.97Å; M23-F180 HydrophobicContact SD-CD2 4.47Å; K26-F180 VanDerWaalsContact C-CE2 3.47Å; K26-F180 HydrophobicContact CB-CD2 3.61Å; K26-F180 HydrophobicContact CB-CE2 3.37Å; K26-F180 HydrophobicContact CB-CG 4.43Å; K26-F180 HydrophobicContact CB-CZ 4.01Å; K26-F180 HydrophobicContact CD-CD2 4.21Å; K26-F180 HydrophobicContact CD-CG 4.3Å; I176-F180 VanDerWaalsContact O-CB 3.24Å; I176-F180 WeakPolarHBondContact O-CB 3.49Å; I176-F180 PolarHBondContact O-N 3.42Å; E177-F180 PolarHBondContact O-N 2.83Å; T178-F180 VanDerWaalsContact C-N 3.33Å; T178-F180 PolarHBondContact O-N 3.29Å; F180-I183 PolarHBondContact O-N 2.65Å; F180-C184 WeakPolarHBondContact CE2-SG 3.37Å; F180-C184 WeakPolarHBondContact CZ-SG 3.46Å; F180-C184 WeakPolarHBondContact O-CB 3.15Å; F180-C184 PolarHBondContact O-N 2.77Å; F180-C184 PolarHBondContact O-SG 3.37Å |
| 181 | K | 97.3 | Very high | 95.3 | Very high | 149 Ų | 149 | 54 Ų | 54 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 178.4 | -176.4 | -178.5 | 176.9 | -176.8 | 0 | 111.6 | E177 T178 L179 C184 Q185 | E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 PolarHBondContact O-N 3.04Å; T178-K181 PolarHBondContact O-N 2.7Å; L179-K181 PolarHBondContact O-N 3.47Å; K181-C184 PolarHBondContact O-N 3.22Å; K181-Q185 WeakPolarHBondContact O-CB 3.26Å; K181-Q185 PolarHBondContact O-N 3.36Å |
| 182 | E | 97.5 | Very high | 95.1 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 179.2 | -69.9 | 175.2 | 169 | 0 | 0 | 111.8 | F170 T178 L179 Q185 C186 | F170-E182 HydrophobicContact CD1-CB 3.71Å; F170-E182 HydrophobicContact CE1-CB 3.74Å; T178-E182 WeakPolarHBondContact O-CG 3.48Å; T178-E182 PolarHBondContact O-N 3.18Å; L179-E182 PolarHBondContact O-N 2.84Å; E182-Q185 PolarHBondContact O-N 3.48Å; E182-C186 PolarHBondContact O-N 3.44Å |
| 183 | I | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.4 | -70.8 | 170.2 | 0 | 0 | 0 | 110.6 | M23 L27 I118 L120 F170 L179 F180 Q185 C186 V187 | M23-I183 HydrophobicContact CB-CD1 4.02Å; M23-I183 HydrophobicContact CG-CD1 3.78Å; M23-I183 HydrophobicContact SD-CD1 4.02Å; L27-I183 HydrophobicContact CD2-CG2 4.15Å; I118-I183 HydrophobicContact CD1-CG2 4.08Å; L120-I183 HydrophobicContact CD2-CD1 3.78Å; F170-I183 HydrophobicContact CD1-CG1 4.15Å; F170-I183 HydrophobicContact CD2-CG1 4.14Å; F170-I183 HydrophobicContact CE1-CG1 4.36Å; F170-I183 HydrophobicContact CE2-CG1 4.33Å; F170-I183 HydrophobicContact CG-CG1 4.03Å; F170-I183 HydrophobicContact CZ-CG1 4.44Å; L179-I183 HydrophobicContact CD1-CD1 3.93Å; L179-I183 HydrophobicContact CD1-CG1 4.38Å; L179-I183 HydrophobicContact CG-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CB 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.39Å; L179-I183 PolarHBondContact O-N 2.87Å; F180-I183 PolarHBondContact O-N 2.65Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 3.42Å; I183-C186 PolarHBondContact O-N 2.69Å; I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CB 3.14Å; I183-V187 VanDerWaalsContact O-CG2 3.25Å; I183-V187 WeakPolarHBondContact O-CG2 3.47Å; I183-V187 PolarHBondContact O-N 3.15Å |
| 184 | C | 97.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 178.8 | -73.5 | 0 | 0 | 0 | 0 | 112 | F180 K181 C186 V187 N188 | F180-C184 WeakPolarHBondContact CE2-SG 3.37Å; F180-C184 WeakPolarHBondContact CZ-SG 3.46Å; F180-C184 WeakPolarHBondContact O-CB 3.15Å; F180-C184 PolarHBondContact O-N 2.77Å; F180-C184 PolarHBondContact O-SG 3.37Å; K181-C184 PolarHBondContact O-N 3.22Å; C184-C186 PolarHBondContact O-N 3.47Å; C184-V187 PolarHBondContact O-N 3.17Å; C184-N188 WeakPolarHBondContact O-CB 3.21Å; C184-N188 VanDerWaalsContact O-CG 3.27Å; C184-N188 PolarHBondContact O-N 3.4Å; C184-N188 PolarHBondContact O-ND2 3.42Å; C184-N188 VanDerWaalsContact O-ND2 3.08Å |
| 185 | Q | 97.6 | Very high | 94 | Very high | 127 Ų | 127 | 57.7 Ų | 57.7 | 59% | 0.593 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.7 | -47.6 | 177 | -177.5 | 176.3 | -10.6 | 0 | 0 | 111.1 | K181 E182 I183 E189 | K181-Q185 WeakPolarHBondContact O-CB 3.26Å; K181-Q185 PolarHBondContact O-N 3.36Å; E182-Q185 PolarHBondContact O-N 3.48Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 3.42Å; Q185-E189 WeakPolarHBondContact O-CB 3.48Å; Q185-E189 PolarHBondContact O-N 3.19Å; Q185-E189 VanDerWaalsContact O-N 3.11Å |
| 186 | C | 97.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 8% | 0.081 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | F170 E182 I183 C184 N188 E189 K190 | F170-C186 HydrophobicContact CE1-CB 4.37Å; F170-C186 HydrophobicContact CZ-CB 3.62Å; E182-C186 PolarHBondContact O-N 3.44Å; I183-C186 PolarHBondContact O-N 2.69Å; C184-C186 PolarHBondContact O-N 3.47Å; C186-N188 PolarHBondContact O-N 3.29Å; C186-E189 PolarHBondContact O-N 3.47Å; C186-K190 WeakPolarHBondContact O-CG 3.24Å; C186-K190 PolarHBondContact O-N 3.22Å |
| 187 | V | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | -178 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | I10 L27 L31 L116 I118 I183 C184 E189 K190 I191 | I10-V187 HydrophobicContact CD1-CG1 3.74Å; I10-V187 HydrophobicContact CD1-CG2 4.38Å; L27-V187 HydrophobicContact CD1-CB 4.25Å; L27-V187 HydrophobicContact CD1-CG1 4.16Å; L27-V187 HydrophobicContact CD1-CG2 4.22Å; L27-V187 HydrophobicContact CD2-CG2 3.86Å; L31-V187 HydrophobicContact CD1-CG1 4.28Å; L31-V187 HydrophobicContact CD2-CG1 4.16Å; L116-V187 HydrophobicContact CD2-CB 4.48Å; L116-V187 HydrophobicContact CD2-CG2 3.86Å; I118-V187 HydrophobicContact CD1-CG2 3.8Å; I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CB 3.14Å; I183-V187 VanDerWaalsContact O-CG2 3.25Å; I183-V187 WeakPolarHBondContact O-CG2 3.47Å; I183-V187 PolarHBondContact O-N 3.15Å; C184-V187 PolarHBondContact O-N 3.17Å; V187-E189 VanDerWaalsContact C-N 3.33Å; V187-E189 PolarHBondContact O-N 3.23Å; V187-K190 PolarHBondContact O-N 2.98Å; V187-I191 HydrophobicContact CG1-CD1 3.52Å; V187-I191 HydrophobicContact CG1-CG1 4.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.31Å; V187-I191 PolarHBondContact O-N 3.03Å |
| 188 | N | 95.9 | Very high | 90.9 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 177.1 | -74.5 | -37.7 | 0 | 0 | 0 | 111.7 | Y30 C184 C186 K190 Y192 | Y30-N188 WeakPolarHBondContact CE1-OD1 3.3Å; Y30-N188 PolarHBondContact OH-ND2 2.69Å; Y30-N188 PolarHBondContact OH-OD1 3.49Å; C184-N188 WeakPolarHBondContact O-CB 3.21Å; C184-N188 VanDerWaalsContact O-CG 3.27Å; C184-N188 PolarHBondContact O-N 3.4Å; C184-N188 PolarHBondContact O-ND2 3.42Å; C184-N188 VanDerWaalsContact O-ND2 3.08Å; C186-N188 PolarHBondContact O-N 3.29Å; N188-K190 VanDerWaalsContact C-N 3.35Å; N188-K190 PolarHBondContact O-N 2.86Å; N188-Y192 VanDerWaalsContact O-CB 3.29Å; N188-Y192 WeakPolarHBondContact O-CB 3.37Å; N188-Y192 PolarHBondContact O-N 3.06Å |
| 189 | E | 96 | Very high | 89.4 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.9 | -171.3 | -159.7 | 128.6 | 0 | 0 | 111.4 | Q185 C186 V187 Y192 L193 | Q185-E189 WeakPolarHBondContact O-CB 3.48Å; Q185-E189 PolarHBondContact O-N 3.19Å; Q185-E189 VanDerWaalsContact O-N 3.11Å; C186-E189 PolarHBondContact O-N 3.47Å; V187-E189 VanDerWaalsContact C-N 3.33Å; V187-E189 PolarHBondContact O-N 3.23Å; E189-Y192 PolarHBondContact O-N 3.2Å; E189-L193 HydrophobicContact CG-CD1 4.15Å; E189-L193 WeakPolarHBondContact O-CB 3.49Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.3Å; E189-L193 PolarHBondContact O-N 2.92Å |
| 190 | K | 95.1 | Very high | 87.6 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 15% | 0.148 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74 | -37.5 | -176.7 | -59.9 | -45.9 | 171.4 | -170 | 0 | 113.5 | Y8 L116 Y168 C186 V187 N188 Y192 L193 A194 | Y8-K190 WeakPolarHBondContact OH-CB 3.45Å; L116-K190 HydrophobicContact CD1-CG 4Å; L116-K190 HydrophobicContact CD2-CB 4.2Å; L116-K190 HydrophobicContact CD2-CG 4.31Å; Y168-K190 WeakPolarHBondContact OH-CE 3.36Å; Y168-K190 PolarHBondContact OH-NZ 3.34Å; Y168-K190 VanDerWaalsContact OH-NZ 3.13Å; C186-K190 WeakPolarHBondContact O-CG 3.24Å; C186-K190 PolarHBondContact O-N 3.22Å; V187-K190 PolarHBondContact O-N 2.98Å; N188-K190 VanDerWaalsContact C-N 3.35Å; N188-K190 PolarHBondContact O-N 2.86Å; K190-Y192 VanDerWaalsContact C-N 3.33Å; K190-L193 HydrophobicContact CD-CD1 4.33Å; K190-L193 PolarHBondContact O-N 3.39Å; K190-A194 WeakPolarHBondContact O-CB 3.39Å; K190-A194 PolarHBondContact O-N 2.94Å |
| 191 | I | 92.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 172.5 | -67.3 | 169.2 | 0 | 0 | 0 | 110.2 | Y8 L31 Y36 I94 I96 V187 A194 N195 | Y8-I191 HydrophobicContact CD1-CG1 3.93Å; Y8-I191 HydrophobicContact CE1-CG1 3.91Å; L31-I191 HydrophobicContact CD2-CD1 3.97Å; Y36-I191 HydrophobicContact CE1-CG2 4.17Å; Y36-I191 VanDerWaalsContact OH-CG2 3.31Å; Y36-I191 WeakPolarHBondContact OH-CG2 3.24Å; I94-I191 HydrophobicContact CD1-CG2 3.93Å; I96-I191 HydrophobicContact CD1-CD1 3.63Å; V187-I191 HydrophobicContact CG1-CD1 3.52Å; V187-I191 HydrophobicContact CG1-CG1 4.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.31Å; V187-I191 PolarHBondContact O-N 3.03Å; I191-A194 PolarHBondContact O-N 2.96Å; I191-N195 PolarHBondContact O-N 3.43Å; I191-N195 VanDerWaalsContact O-N 3.08Å; I191-N195 PolarHBondContact O-ND2 3.04Å |
| 192 | Y | 90.6 | Very high | 83.7 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 55% | 0.553 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.5 | -50.5 | 176.4 | 179 | -93.5 | 0 | 0 | 0 | 111.8 | N188 E189 K190 A194 N195 E196 | N188-Y192 VanDerWaalsContact O-CB 3.29Å; N188-Y192 WeakPolarHBondContact O-CB 3.37Å; N188-Y192 PolarHBondContact O-N 3.06Å; E189-Y192 PolarHBondContact O-N 3.2Å; K190-Y192 VanDerWaalsContact C-N 3.33Å; Y192-A194 VanDerWaalsContact C-N 3.31Å; Y192-A194 PolarHBondContact O-N 3.36Å; Y192-N195 WeakPolarHBondContact O-CB 3.39Å; Y192-N195 PolarHBondContact O-N 3.48Å; Y192-E196 HydrophobicContact CD1-CG 4.13Å; Y192-E196 HydrophobicContact CE1-CG 3.61Å; Y192-E196 HydrophobicContact CE2-CG 4.1Å; Y192-E196 WeakPolarHBondContact O-CG 3.4Å; Y192-E196 PolarHBondContact O-N 3.26Å |
| 193 | L | 88.3 | Confident | 81.8 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 179.7 | -71.9 | 172 | 0 | 0 | 0 | 113 | E189 K190 R197 | E189-L193 HydrophobicContact CG-CD1 4.15Å; E189-L193 WeakPolarHBondContact O-CB 3.49Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.3Å; E189-L193 PolarHBondContact O-N 2.92Å; K190-L193 HydrophobicContact CD-CD1 4.33Å; K190-L193 PolarHBondContact O-N 3.39Å; L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.98Å |
| 194 | A | 84.5 | Confident | 79.3 | Confident | 31 Ų | 31 | 83.5 Ų | 83.5 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y8 K190 I191 Y192 | Y8-A194 HydrophobicContact CD2-CB 4.14Å; Y8-A194 HydrophobicContact CE2-CB 3.63Å; K190-A194 WeakPolarHBondContact O-CB 3.39Å; K190-A194 PolarHBondContact O-N 2.94Å; I191-A194 PolarHBondContact O-N 2.96Å; Y192-A194 VanDerWaalsContact C-N 3.31Å; Y192-A194 PolarHBondContact O-N 3.36Å |
| 195 | N | 81.2 | Confident | 76.8 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 16% | 0.16 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.9 | -91.7 | -41.7 | 0 | 0 | 0 | 113.9 | I94 I191 Y192 K199 | I94-N195 VanDerWaalsContact CD1-CG 3.48Å; I94-N195 WeakPolarHBondContact CD1-ND2 3.43Å; I94-N195 VanDerWaalsContact CD1-OD1 3.26Å; I94-N195 WeakPolarHBondContact CD1-OD1 3.25Å; I191-N195 PolarHBondContact O-N 3.43Å; I191-N195 VanDerWaalsContact O-N 3.08Å; I191-N195 PolarHBondContact O-ND2 3.04Å; Y192-N195 WeakPolarHBondContact O-CB 3.39Å; Y192-N195 PolarHBondContact O-N 3.48Å; N195-K199 WeakPolarHBondContact O-CG 3.49Å; N195-K199 PolarHBondContact O-N 3.05Å |
| 196 | E | 79 | Confident | 74.5 | Confident | 52 Ų | 52 | 96 Ų | 96 | 24% | 0.243 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | -177.1 | -68.8 | -62.5 | 110.7 | 0 | 0 | 112.5 | Y192 E198 K199 H200 | Y192-E196 HydrophobicContact CD1-CG 4.13Å; Y192-E196 HydrophobicContact CE1-CG 3.61Å; Y192-E196 HydrophobicContact CE2-CG 4.1Å; Y192-E196 WeakPolarHBondContact O-CG 3.4Å; Y192-E196 PolarHBondContact O-N 3.26Å; E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.91Å; E196-K199 PolarHBondContact O-N 3.21Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 2.93Å; E196-H200 PolarHBondContact O-N 3.46Å |
| 197 | R | 69 | Low | 73.3 | Confident | 193 Ų | 193 | 100.3 Ų | 100.3 | 73% | 0.728 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61 | -35.3 | 177.7 | -78.4 | 178.4 | -179.9 | -173.7 | 0.1 | 112.7 | L193 F201 | L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.98Å; R197-F201 PolarHBondContact O-N 2.97Å |
| 198 | E | 63.3 | Low | 72 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.9 | -38 | -179.4 | -74.1 | -173.1 | 166.4 | 0 | 0 | 113 | R6 E196 H200 F201 D202 | R6-E198 VanDerWaalsContact CD-OE2 3.32Å; R6-E198 WeakPolarHBondContact CD-OE2 3.31Å; R6-E198 IonicContact CZ-OE2 3.56Å; R6-E198 IonicContact NE-OE2 3.25Å; R6-E198 PolarHBondContact NE-OE2 3.31Å; R6-E198 IonicContact NH1-OE2 3.94Å; E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.91Å; E198-H200 PolarHBondContact O-N 2.64Å; E198-F201 WeakPolarHBondContact O-CA 3.5Å; E198-F201 WeakPolarHBondContact O-CB 3.24Å; E198-F201 PolarHBondContact O-N 2.96Å; E198-D202 PolarHBondContact O-N 2.84Å |
| 199 | K | 64.4 | Low | 70.7 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.1 | -42.5 | 174.9 | -72.7 | 176.5 | -171.5 | 166.6 | 0 | 111.7 | N195 E196 F201 D202 E203 | N195-K199 WeakPolarHBondContact O-CG 3.49Å; N195-K199 PolarHBondContact O-N 3.05Å; E196-K199 PolarHBondContact O-N 3.21Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 2.93Å; K199-F201 VanDerWaalsContact C-N 3.29Å; K199-F201 PolarHBondContact O-N 3.48Å; K199-D202 PolarHBondContact O-N 2.82Å; K199-E203 WeakPolarHBondContact O-CG 3.37Å; K199-E203 PolarHBondContact O-N 3.22Å |
| 200 | H | 59.4 | Low | 69.2 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.4 | -24.2 | 176.3 | -79.1 | -45.6 | 0 | 0 | 0 | 114.1 | E196 E198 E203 F204 | E196-H200 PolarHBondContact O-N 3.46Å; E198-H200 PolarHBondContact O-N 2.64Å; H200-E203 IonicContact CE1-OE2 3.9Å; H200-E203 IonicContact ND1-OE2 2.83Å; H200-E203 PolarHBondContact ND1-OE2 3.43Å; H200-E203 VanDerWaalsContact ND1-OE2 3.14Å; H200-F204 WeakPolarHBondContact O-CD2 3.45Å |
| 201 | F | 56.5 | Low | 67.6 | Low | 171 Ų | 171 | 114 Ų | 114 | 75% | 0.75 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.3 | -36.9 | 175.2 | -119.7 | -88.2 | 0 | 0 | 0 | 111.8 | R197 E198 K199 E203 F204 | R197-F201 PolarHBondContact O-N 2.97Å; E198-F201 WeakPolarHBondContact O-CA 3.5Å; E198-F201 WeakPolarHBondContact O-CB 3.24Å; E198-F201 PolarHBondContact O-N 2.96Å; K199-F201 VanDerWaalsContact C-N 3.29Å; K199-F201 PolarHBondContact O-N 3.48Å; F201-E203 PolarHBondContact O-N 3.37Å; F201-F204 PolarHBondContact O-N 3.01Å |
| 202 | D | 57.3 | Low | 65.9 | Low | 122 Ų | 122 | 121.5 Ų | 121.5 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.3 | -19.4 | 176.6 | -70 | -33.4 | 0 | 0 | 0 | 112.9 | R6 E198 K199 | R6-D202 IonicContact NH2-OD2 3.23Å; R6-D202 PolarHBondContact NH2-OD2 3.33Å; E198-D202 PolarHBondContact O-N 2.84Å; K199-D202 PolarHBondContact O-N 2.82Å |
| 203 | E | 57.5 | Low | 64.2 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -11.5 | 177.6 | -76.6 | 175.2 | 170.3 | 0 | 0 | 114.3 | K199 H200 F201 | K199-E203 WeakPolarHBondContact O-CG 3.37Å; K199-E203 PolarHBondContact O-N 3.22Å; H200-E203 IonicContact CE1-OE2 3.9Å; H200-E203 IonicContact ND1-OE2 2.83Å; H200-E203 PolarHBondContact ND1-OE2 3.43Å; H200-E203 VanDerWaalsContact ND1-OE2 3.14Å; F201-E203 PolarHBondContact O-N 3.37Å |
| 204 | F | 44.4 | Very low | 62.3 | Low | 164 Ų | 164 | 124.1 Ų | 124.1 | 72% | 0.719 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -81.4 | 123.7 | 172.7 | -83 | -86.2 | 0 | 0 | 0 | 110.2 | H200 F201 K206 | H200-F204 WeakPolarHBondContact O-CD2 3.45Å; F201-F204 PolarHBondContact O-N 3.01Å; F204-K206 PolarHBondContact O-N 3.24Å |
| 205 | P | 44.9 | Very low | 60.5 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | trans | -62.4 | 128.6 | 176.4 | 13.2 | -12.1 | 0 | 0 | 0 | 109.8 | ||||
| 206 | K | 48.6 | Very low | 58.6 | Low | 280 Ų | 280 | 141.1 Ų | 141.1 | 100% | 1.217 | 65% | 0.651 | S | S | * | * | trans | -59.8 | 0 | 172.6 | -75.2 | -176.3 | 177.8 | 177.2 | 0 | 112.3 | F204 | F204-K206 PolarHBondContact O-N 3.24Š|
Retrieved 206 of 206 residues in 266.1 ms
(Link to these results)