| 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 | 87.5 | Confident | 91.1 | Very high | 162 Ų | 162 | 65.5 Ų | 65.5 | 80% | 0.798 | 34% | 0.339 | S | S | * | . | 0 | 123.9 | 0 | -171.1 | 172.6 | -71.3 | 0 | 0 | 108.7 | K17 C18 N19 | M1-K17 HydrophobicContact CG-CB 4.46Å; M1-K17 HydrophobicContact SD-CB 4.41Å; M1-K17 HydrophobicContact SD-CD 4.43Å; M1-C18 CarbonylContact C-O 3.49Å; M1-C18 VanDerWaalsContact CA-O 3.27Å; M1-C18 WeakPolarHBondContact CA-O 3.47Å; M1-N19 WeakPolarHBondContact CA-OD1 3.36Å | |||
| 2 | I | 95.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.6 | -178.9 | 61.3 | 171.6 | 0 | 0 | 0 | 109.2 | V4 K17 C18 T20 I62 D64 | I2-V4 HydrophobicContact CD1-CG2 3.9Å; I2-V4 HydrophobicContact CG1-CG2 4.25Å; I2-K17 WeakPolarHBondContact O-CA 3.23Å; I2-C18 PolarHBondContact N-O 3.32Å; I2-C18 PolarHBondContact O-N 3.38Å; I2-T20 HydrophobicContact CD1-CG2 4.21Å; I2-T20 HydrophobicContact CG2-CG2 4.21Å; I2-I62 HydrophobicContact CD1-CG2 4.44Å; I2-D64 WeakPolarHBondContact CA-OD1 3.1Å; I2-D64 HydrophobicContact CB-CB 4.11Å; I2-D64 HydrophobicContact CG2-CB 4.04Å |
| 3 | E | 96.2 | Very high | 91.1 | Very high | 59 Ų | 59 | 74.3 Ų | 74.3 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.7 | 171.8 | -175 | 170.1 | 105.5 | 0 | 0 | 109.9 | R15 D64 G65 | E3-R15 HydrophobicContact CG-CB 4.25Å; E3-R15 WeakPolarHBondContact OE1-CD 2.97Å; E3-R15 IonicContact OE1-NH1 3.74Å; E3-D64 PolarHBondContact N-OD1 3.15Å; E3-G65 WeakPolarHBondContact O-CA 3.43Å; E3-G65 PolarHBondContact O-N 3.43Å |
| 4 | V | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.7 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | I2 V16 I62 L68 | I2-V4 HydrophobicContact CD1-CG2 3.9Å; I2-V4 HydrophobicContact CG1-CG2 4.25Å; V4-V16 PolarHBondContact N-O 3.4Å; V4-V16 PolarHBondContact O-N 2.89Å; V4-I62 HydrophobicContact CG1-CG2 4.45Å; V4-I62 HydrophobicContact CG2-CG2 3.75Å; V4-L68 HydrophobicContact CG1-CD1 3.6Å; V4-L68 HydrophobicContact CG1-CG 3.67Å |
| 5 | V | 95.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 76.1 Ų | 76.1 | 13% | 0.127 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.9 | 179 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | V14 R15 M66 N67 L68 | V5-V14 CarbonylContact C-O 3.52Å; V5-V14 WeakPolarHBondContact CA-O 3.25Å; V5-R15 HydrophobicContact CG1-CG 4.47Å; V5-R15 HydrophobicContact CG2-CG 4.22Å; V5-M66 PolarHBondContact N-O 3.26Å; V5-N67 WeakPolarHBondContact CB-ND2 3.32Å; V5-N67 VanDerWaalsContact CG1-ND2 3.31Å; V5-N67 WeakPolarHBondContact CG1-ND2 3.15Å; V5-N67 CarbonylContact O-C 3.57Å; V5-N67 VanDerWaalsContact O-CA 3.27Å; V5-N67 WeakPolarHBondContact O-CA 3.15Å; V5-N67 PolarHBondContact O-ND2 2.98Å; V5-L68 PolarHBondContact O-N 3.33Å |
| 6 | C | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.6 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | V14 I31 L68 L70 | C6-V14 HydrophobicContact CB-CB 4.48Å; C6-V14 PolarHBondContact N-O 3.32Å; C6-V14 PolarHBondContact O-N 2.93Å; C6-I31 HydrophobicContact CB-CD1 4.19Å; C6-I31 WeakPolarHBondContact SG-CD1 3.44Å; C6-L68 CarbonylContact C-O 3.58Å; C6-L68 WeakPolarHBondContact CA-O 3.45Å; C6-L70 HydrophobicContact CB-CB 4.36Å; C6-L70 HydrophobicContact CB-CD1 3.96Å |
| 7 | N | 94.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 75.5 Ų | 75.5 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.8 | -179.6 | -71.8 | -13.8 | 0 | 0 | 0 | 110.9 | K13 N67 L68 L70 | N7-K13 WeakPolarHBondContact OD1-CB 3.4Å; N7-K13 VanDerWaalsContact OD1-CD 3.23Å; N7-K13 WeakPolarHBondContact OD1-CD 3.37Å; N7-K13 WeakPolarHBondContact OD1-CG 3.28Å; N7-N67 VanDerWaalsContact CG-OD1 3.3Å; N7-N67 PolarHBondContact ND2-ND2 2.86Å; N7-N67 PolarHBondContact ND2-OD1 2.93Å; N7-N67 PolarHBondContact OD1-ND2 2.81Å; N7-L68 PolarHBondContact N-O 3.34Å; N7-L70 PolarHBondContact O-N 3.29Å |
| 8 | D | 89.3 | Confident | 92.1 | Very high | 20 Ų | 20 | 71.4 Ų | 71.4 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 152.4 | 168.8 | -174.6 | -1.4 | 0 | 0 | 0 | 110.6 | L10 G11 K12 L70 Y72 | D8-L10 PolarHBondContact O-N 3.42Å; D8-L10 PolarHBondContact OD1-N 3.09Å; D8-G11 PolarHBondContact O-N 3.4Å; D8-K12 HydrophobicContact CB-CB 4Å; D8-K12 WeakPolarHBondContact CB-O 3.47Å; D8-K12 PolarHBondContact N-O 3.11Å; D8-L70 HydrophobicContact CB-CD2 4.3Å; D8-Y72 WeakPolarHBondContact OD2-CE2 3.48Å; D8-Y72 PolarHBondContact OD2-OH 3.22Å |
| 9 | R | 84.1 | Confident | 92.3 | Very high | 189 Ų | 189 | 71.1 Ų | 71.1 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.8 | 174 | -70 | -169 | 168.2 | -165 | 1.4 | 113.4 | G11 Y71 | R9-G11 VanDerWaalsContact C-N 3.27Å; R9-Y71 HydrophobicContact CG-CE1 4.4Å; R9-Y71 VanDerWaalsContact NE-CZ 3.28Å; R9-Y71 PolarHBondContact NE-OH 3.44Å; R9-Y71 VanDerWaalsContact NE-OH 3.11Å; R9-Y71 PolarHBondContact NH2-OH 3.22Å |
| 10 | L | 85.8 | Confident | 92.4 | Very high | 156 Ų | 156 | 70.3 Ų | 70.3 | 82% | 0.817 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.9 | 175 | -57.5 | -179.4 | 0 | 0 | 0 | 113.5 | D8 | D8-L10 PolarHBondContact O-N 3.42Å; D8-L10 PolarHBondContact OD1-N 3.09Å |
| 11 | G | 83.4 | Confident | 92.6 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 87.5 | -0.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D8 R9 K13 | D8-G11 PolarHBondContact O-N 3.4Å; R9-G11 VanDerWaalsContact C-N 3.27Å; G11-K13 PolarHBondContact O-N 3.41Å |
| 12 | K | 88.8 | Confident | 93 | Very high | 98 Ų | 98 | 67.6 Ų | 67.6 | 43% | 0.426 | 33% | 0.331 | S | S | . | . | trans | -69.6 | 125.6 | 172.4 | -173 | 176.8 | -178.1 | 176.8 | 0 | 109.6 | D8 V14 | D8-K12 HydrophobicContact CB-CB 4Å; D8-K12 WeakPolarHBondContact CB-O 3.47Å; D8-K12 PolarHBondContact N-O 3.11Å; K12-V14 HydrophobicContact CG-CG2 4.39Å | ||
| 13 | K | 92.7 | Very high | 93.1 | Very high | 147 Ų | 147 | 68.5 Ų | 68.5 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | 175.6 | -52.7 | -162.3 | 171 | 174.8 | 0 | 110 | N7 G11 | N7-K13 WeakPolarHBondContact OD1-CB 3.4Å; N7-K13 VanDerWaalsContact OD1-CD 3.23Å; N7-K13 WeakPolarHBondContact OD1-CD 3.37Å; N7-K13 WeakPolarHBondContact OD1-CG 3.28Å; G11-K13 PolarHBondContact O-N 3.41Å |
| 14 | V | 93.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.3 | 179.5 | -173.5 | 0 | 0 | 0 | 0 | 108 | V5 C6 K12 V16 Q34 T35 | V5-V14 CarbonylContact C-O 3.52Å; V5-V14 WeakPolarHBondContact CA-O 3.25Å; C6-V14 HydrophobicContact CB-CB 4.48Å; C6-V14 PolarHBondContact N-O 3.32Å; C6-V14 PolarHBondContact O-N 2.93Å; K12-V14 HydrophobicContact CG-CG2 4.39Å; V14-V16 HydrophobicContact CG1-CG2 3.81Å; V14-Q34 HydrophobicContact CG1-CB 4.29Å; V14-T35 HydrophobicContact CG1-CG2 4.35Å; V14-T35 HydrophobicContact CG2-CG2 3.6Å |
| 15 | R | 95 | Very high | 93.2 | Very high | 165 Ų | 165 | 65.9 Ų | 65.9 | 62% | 0.623 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.3 | 176.3 | -56.9 | -169 | -174 | -174.9 | 2 | 108.7 | E3 V5 Q34 | E3-R15 HydrophobicContact CG-CB 4.25Å; E3-R15 WeakPolarHBondContact OE1-CD 2.97Å; E3-R15 IonicContact OE1-NH1 3.74Å; V5-R15 HydrophobicContact CG1-CG 4.47Å; V5-R15 HydrophobicContact CG2-CG 4.22Å; R15-Q34 PolarHBondContact O-NE2 2.85Å; R15-Q34 PolarHBondContact O-OE1 3.02Å |
| 16 | V | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.3 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | V4 V14 L27 L30 I31 | V4-V16 PolarHBondContact N-O 3.4Å; V4-V16 PolarHBondContact O-N 2.89Å; V14-V16 HydrophobicContact CG1-CG2 3.81Å; V16-L27 HydrophobicContact CB-CD1 4.08Å; V16-L27 HydrophobicContact CG1-CD1 3.84Å; V16-L30 HydrophobicContact CG1-CB 3.62Å; V16-L30 HydrophobicContact CG1-CD1 3.94Å; V16-L30 HydrophobicContact CG1-CG 4.41Å; V16-I31 HydrophobicContact CG2-CG1 3.73Å |
| 17 | K | 95.6 | Very high | 93.3 | Very high | 140 Ų | 140 | 67.6 Ų | 67.6 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.4 | 169.8 | -66.9 | -175.3 | 178.9 | -177.4 | 0 | 109.1 | M1 I2 | M1-K17 HydrophobicContact CG-CB 4.46Å; M1-K17 HydrophobicContact SD-CB 4.41Å; M1-K17 HydrophobicContact SD-CD 4.43Å; I2-K17 WeakPolarHBondContact O-CA 3.23Å |
| 18 | C | 94.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 172.2 | -178.4 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | M1 I2 L27 L30 L57 | M1-C18 CarbonylContact C-O 3.49Å; M1-C18 VanDerWaalsContact CA-O 3.27Å; M1-C18 WeakPolarHBondContact CA-O 3.47Å; I2-C18 PolarHBondContact N-O 3.32Å; I2-C18 PolarHBondContact O-N 3.38Å; C18-L27 HydrophobicContact CB-CD1 4.37Å; C18-L30 HydrophobicContact CB-CD1 4.22Å; C18-L57 HydrophobicContact CB-CD1 3.94Å; C18-L57 WeakPolarHBondContact SG-CD1 3.23Å |
| 19 | N | 95.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 70.4 Ų | 70.4 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | trans | -105.2 | 151.4 | 173.4 | -62.4 | -53.9 | 0 | 0 | 0 | 110.3 | M1 D21 D22 L57 | M1-N19 WeakPolarHBondContact CA-OD1 3.36Å; N19-D21 PolarHBondContact O-N 2.85Å; N19-D21 VanDerWaalsContact O-N 3.16Å; N19-D22 PolarHBondContact N-OD2 3.24Å; N19-D22 VanDerWaalsContact O-CB 3.31Å; N19-D22 WeakPolarHBondContact O-CB 3.48Å; N19-D22 PolarHBondContact O-N 3.18Å; N19-L57 WeakPolarHBondContact O-CD1 3.36Å | ||
| 20 | T | 94.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.3 | 178.1 | 44.8 | 0 | 0 | 0 | 0 | 112.8 | I2 D22 L57 G58 | I2-T20 HydrophobicContact CD1-CG2 4.21Å; I2-T20 HydrophobicContact CG2-CG2 4.21Å; T20-D22 VanDerWaalsContact C-N 3.31Å; T20-L57 PolarHBondContact O-N 2.71Å; T20-G58 PolarHBondContact O-N 2.85Å |
| 21 | D | 95.8 | Very high | 94.6 | Very high | 135 Ų | 135 | 57.2 Ų | 57.2 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.2 | -177.5 | -48.6 | -20.8 | 0 | 0 | 0 | 111.9 | N19 | N19-D21 PolarHBondContact O-N 2.85Å; N19-D21 VanDerWaalsContact O-N 3.16Å |
| 22 | D | 96.1 | Very high | 95.1 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -66 | 147.3 | 175.2 | -65.9 | -25.3 | 0 | 0 | 0 | 109.8 | N19 T20 D26 S56 L57 | N19-D22 PolarHBondContact N-OD2 3.24Å; N19-D22 VanDerWaalsContact O-CB 3.31Å; N19-D22 WeakPolarHBondContact O-CB 3.48Å; N19-D22 PolarHBondContact O-N 3.18Å; T20-D22 VanDerWaalsContact C-N 3.31Å; D22-D26 HydrophobicContact CB-CB 4.44Å; D22-S56 CarbonylContact O-C 3.54Å; D22-S56 WeakPolarHBondContact O-CA 3.35Å; D22-L57 HydrophobicContact CB-CD1 4.29Å; D22-L57 WeakPolarHBondContact O-CG 3.35Å; D22-L57 PolarHBondContact O-N 3.47Å |
| 23 | T | 97.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 24% | 0.239 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 159.4 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | G25 D26 L27 D53 V55 | T23-G25 PolarHBondContact O-N 2.66Å; T23-G25 PolarHBondContact OG1-N 3.28Å; T23-D26 PolarHBondContact O-N 2.88Å; T23-D26 VanDerWaalsContact OG1-CG 3.26Å; T23-D26 PolarHBondContact OG1-N 2.98Å; T23-D26 PolarHBondContact OG1-OD2 3.03Å; T23-L27 PolarHBondContact O-N 3.48Å; T23-D53 VanDerWaalsContact CB-O 3.28Å; T23-D53 WeakPolarHBondContact CB-O 3.48Å; T23-D53 PolarHBondContact OG1-O 3.04Å; T23-V55 WeakPolarHBondContact CA-O 3.42Å |
| 24 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57 | -34.8 | 170 | -68.5 | -74.6 | 0 | 0 | 0 | 111.4 | D26 L27 K28 L44 F51 K52 V55 L57 Y60 I62 | I24-D26 VanDerWaalsContact C-N 3.31Å; I24-D26 PolarHBondContact O-N 2.69Å; I24-L27 PolarHBondContact O-N 3.38Å; I24-K28 HydrophobicContact CG2-CD 4.46Å; I24-K28 WeakPolarHBondContact O-CG 3.41Å; I24-K28 PolarHBondContact O-N 3.24Å; I24-L44 HydrophobicContact CG2-CD1 4.42Å; I24-F51 HydrophobicContact CB-CB 4.41Å; I24-F51 HydrophobicContact CD1-CB 3.67Å; I24-F51 HydrophobicContact CD1-CD1 4.24Å; I24-F51 HydrophobicContact CD1-CD2 4.39Å; I24-F51 HydrophobicContact CD1-CG 3.86Å; I24-F51 HydrophobicContact CG1-CB 3.86Å; I24-F51 HydrophobicContact CG1-CG 4.49Å; I24-F51 HydrophobicContact CG2-CB 3.79Å; I24-K52 WeakPolarHBondContact CB-O 3.26Å; I24-V55 PolarHBondContact N-O 2.78Å; I24-L57 HydrophobicContact CD1-CD2 3.56Å; I24-L57 HydrophobicContact CG1-CD2 4.39Å; I24-Y60 HydrophobicContact CD1-CD2 4.13Å; I24-Y60 HydrophobicContact CD1-CE2 4.5Å; I24-Y60 HydrophobicContact CG1-CD2 3.8Å; I24-Y60 HydrophobicContact CG1-CE2 3.85Å; I24-I62 HydrophobicContact CD1-CD1 3.85Å |
| 25 | G | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T23 K28 K29 D53 | T23-G25 PolarHBondContact O-N 2.66Å; T23-G25 PolarHBondContact OG1-N 3.28Å; G25-K28 PolarHBondContact O-N 3.09Å; G25-K29 WeakPolarHBondContact O-CG 3.26Å; G25-K29 PolarHBondContact O-N 2.96Å; G25-K29 VanDerWaalsContact O-N 3.11Å; G25-D53 PolarHBondContact N-O 3.01Å |
| 26 | D | 96.6 | Very high | 95 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 176.8 | -60.1 | -43.8 | 0 | 0 | 0 | 111.7 | D22 T23 I24 K28 K29 L30 | D22-D26 HydrophobicContact CB-CB 4.44Å; T23-D26 PolarHBondContact O-N 2.88Å; T23-D26 VanDerWaalsContact OG1-CG 3.26Å; T23-D26 PolarHBondContact OG1-N 2.98Å; T23-D26 PolarHBondContact OG1-OD2 3.03Å; I24-D26 VanDerWaalsContact C-N 3.31Å; I24-D26 PolarHBondContact O-N 2.69Å; D26-K28 VanDerWaalsContact C-N 3.3Å; D26-K28 PolarHBondContact O-N 3.17Å; D26-K29 WeakPolarHBondContact O-CB 3.44Å; D26-K29 PolarHBondContact O-N 2.96Å; D26-K29 VanDerWaalsContact O-N 3.09Å; D26-K29 IonicContact OD1-NZ 2.81Å; D26-K29 PolarHBondContact OD1-NZ 2.98Å; D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.36Å |
| 27 | L | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 171.2 | -179.2 | 60.9 | 0 | 0 | 0 | 111.4 | V16 C18 T23 I24 K29 L30 I31 L44 L57 L68 | V16-L27 HydrophobicContact CB-CD1 4.08Å; V16-L27 HydrophobicContact CG1-CD1 3.84Å; C18-L27 HydrophobicContact CB-CD1 4.37Å; T23-L27 PolarHBondContact O-N 3.48Å; I24-L27 PolarHBondContact O-N 3.38Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.36Å; L27-L30 PolarHBondContact O-N 3.45Å; L27-I31 HydrophobicContact CD1-CD1 4.33Å; L27-I31 HydrophobicContact CD1-CG1 4.45Å; L27-I31 HydrophobicContact CG-CD1 4Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.06Å; L27-I31 PolarHBondContact O-N 3.45Å; L27-L44 HydrophobicContact CD2-CD1 3.69Å; L27-L44 HydrophobicContact CG-CD1 4.01Å; L27-L57 HydrophobicContact CB-CD2 4.36Å; L27-L57 HydrophobicContact CD2-CD1 4.46Å; L27-L57 HydrophobicContact CD2-CD2 3.64Å; L27-L68 HydrophobicContact CD2-CD1 3.85Å |
| 28 | K | 96.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.3 | -74.2 | 177.1 | -179.9 | -175.4 | 0 | 112.6 | I24 G25 D26 I31 A32 W39 I42 L44 D53 | I24-K28 HydrophobicContact CG2-CD 4.46Å; I24-K28 WeakPolarHBondContact O-CG 3.41Å; I24-K28 PolarHBondContact O-N 3.24Å; G25-K28 PolarHBondContact O-N 3.09Å; D26-K28 VanDerWaalsContact C-N 3.3Å; D26-K28 PolarHBondContact O-N 3.17Å; K28-I31 PolarHBondContact O-N 3.38Å; K28-A32 VanDerWaalsContact O-CB 3.25Å; K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.19Å; K28-W39 HydrophobicContact CB-CB 4.3Å; K28-I42 WeakPolarHBondContact CD-O 3.09Å; K28-I42 WeakPolarHBondContact CE-O 3.31Å; K28-I42 HydrophobicContact CG-CB 4.33Å; K28-I42 HydrophobicContact CG-CG2 4.1Å; K28-I42 PolarHBondContact NZ-O 3.16Å; K28-I42 VanDerWaalsContact NZ-O 3.09Å; K28-L44 HydrophobicContact CG-CD1 4.03Å; K28-L44 HydrophobicContact CG-CG 4.24Å; K28-D53 VanDerWaalsContact CE-OD1 3.26Å; K28-D53 WeakPolarHBondContact CE-OD1 3.42Å; K28-D53 IonicContact NZ-OD1 2.66Å; K28-D53 PolarHBondContact NZ-OD1 3.49Å; K28-D53 IonicContact NZ-OD2 3.97Å |
| 29 | K | 95.9 | Very high | 94.6 | Very high | 101 Ų | 101 | 58.9 Ų | 58.9 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.8 | -67.2 | 169.1 | -159.6 | 157.2 | 0 | 111.8 | G25 D26 L27 A32 A33 W39 | G25-K29 WeakPolarHBondContact O-CG 3.26Å; G25-K29 PolarHBondContact O-N 2.96Å; G25-K29 VanDerWaalsContact O-N 3.11Å; D26-K29 WeakPolarHBondContact O-CB 3.44Å; D26-K29 PolarHBondContact O-N 2.96Å; D26-K29 VanDerWaalsContact O-N 3.09Å; D26-K29 IonicContact OD1-NZ 2.81Å; D26-K29 PolarHBondContact OD1-NZ 2.98Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.36Å; K29-A32 WeakPolarHBondContact O-CB 3.48Å; K29-A32 PolarHBondContact O-N 2.92Å; K29-A33 PolarHBondContact O-N 2.87Å; K29-W39 HydrophobicContact CG-CB 4.2Å; K29-W39 HydrophobicContact CG-CG 4.14Å |
| 30 | L | 95.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.5 | -68 | 172.6 | 0 | 0 | 0 | 111.6 | V16 C18 D26 L27 A32 A33 Q34 | V16-L30 HydrophobicContact CG1-CB 3.62Å; V16-L30 HydrophobicContact CG1-CD1 3.94Å; V16-L30 HydrophobicContact CG1-CG 4.41Å; C18-L30 HydrophobicContact CB-CD1 4.22Å; D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.36Å; L27-L30 PolarHBondContact O-N 3.45Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A33 PolarHBondContact O-N 2.79Å; L30-Q34 PolarHBondContact O-N 3.35Å |
| 31 | I | 94.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 174.4 | -64 | 164.1 | 0 | 0 | 0 | 110.4 | C6 V16 L27 K28 A33 Q34 T35 I42 L44 L70 | C6-I31 HydrophobicContact CB-CD1 4.19Å; C6-I31 WeakPolarHBondContact SG-CD1 3.44Å; V16-I31 HydrophobicContact CG2-CG1 3.73Å; L27-I31 HydrophobicContact CD1-CD1 4.33Å; L27-I31 HydrophobicContact CD1-CG1 4.45Å; L27-I31 HydrophobicContact CG-CD1 4Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.06Å; L27-I31 PolarHBondContact O-N 3.45Å; K28-I31 PolarHBondContact O-N 3.38Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 2.88Å; I31-Q34 PolarHBondContact O-N 3.47Å; I31-T35 HydrophobicContact CG2-CG2 3.92Å; I31-T35 WeakPolarHBondContact O-CB 3.28Å; I31-T35 WeakPolarHBondContact O-CG2 3.35Å; I31-T35 PolarHBondContact O-N 3.01Å; I31-T35 PolarHBondContact O-OG1 3.29Å; I31-I42 HydrophobicContact CB-CD1 4.16Å; I31-I42 HydrophobicContact CG2-CD1 3.82Å; I31-L44 HydrophobicContact CD1-CD1 3.99Å; I31-L44 HydrophobicContact CD1-CD2 3.85Å; I31-L44 HydrophobicContact CD1-CG 4.43Å; I31-L70 HydrophobicContact CD1-CD1 4.46Å; I31-L70 HydrophobicContact CG2-CD1 3.55Å |
| 32 | A | 94.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K28 K29 L30 Q34 T35 G36 T37 W39 I42 | K28-A32 VanDerWaalsContact O-CB 3.25Å; K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.19Å; K29-A32 WeakPolarHBondContact O-CB 3.48Å; K29-A32 PolarHBondContact O-N 2.92Å; L30-A32 VanDerWaalsContact C-N 3.34Å; A32-Q34 VanDerWaalsContact C-N 3.3Å; A32-Q34 PolarHBondContact O-N 3.26Å; A32-T35 PolarHBondContact O-N 2.91Å; A32-G36 WeakPolarHBondContact O-CA 3.22Å; A32-G36 PolarHBondContact O-N 3.05Å; A32-T37 VanDerWaalsContact CA-O 3.23Å; A32-T37 WeakPolarHBondContact CA-O 3.48Å; A32-T37 WeakPolarHBondContact CB-O 3.45Å; A32-W39 HydrophobicContact CB-CB 3.91Å; A32-I42 HydrophobicContact CB-CD1 3.98Å |
| 33 | A | 93.9 | Very high | 94.4 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K29 L30 I31 | K29-A33 PolarHBondContact O-N 2.87Å; L30-A33 PolarHBondContact O-N 2.79Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 2.88Å |
| 34 | Q | 92 | Very high | 94.3 | Very high | 115 Ų | 115 | 53.3 Ų | 53.3 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -83 | -33.5 | 178.2 | -64.8 | -172.8 | 22.8 | 0 | 0 | 113.6 | V14 R15 L30 I31 A32 | V14-Q34 HydrophobicContact CG1-CB 4.29Å; R15-Q34 PolarHBondContact O-NE2 2.85Å; R15-Q34 PolarHBondContact O-OE1 3.02Å; L30-Q34 PolarHBondContact O-N 3.35Å; I31-Q34 PolarHBondContact O-N 3.47Å; A32-Q34 VanDerWaalsContact C-N 3.3Å; A32-Q34 PolarHBondContact O-N 3.26Å |
| 35 | T | 90 | Very high | 94.2 | Very high | 21 Ų | 21 | 55.8 Ų | 55.8 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -94.5 | -18.4 | -172.3 | 57.4 | 0 | 0 | 0 | 0 | 114 | V14 I31 A32 T37 | V14-T35 HydrophobicContact CG1-CG2 4.35Å; V14-T35 HydrophobicContact CG2-CG2 3.6Å; I31-T35 HydrophobicContact CG2-CG2 3.92Å; I31-T35 WeakPolarHBondContact O-CB 3.28Å; I31-T35 WeakPolarHBondContact O-CG2 3.35Å; I31-T35 PolarHBondContact O-N 3.01Å; I31-T35 PolarHBondContact O-OG1 3.29Å; A32-T35 PolarHBondContact O-N 2.91Å; T35-T37 PolarHBondContact O-N 3.19Å |
| 36 | G | 90.3 | Very high | 94 | Very high | 75 Ų | 75 | 59 Ų | 59 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | trans | 78.4 | 2.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A32 | A32-G36 WeakPolarHBondContact O-CA 3.22Å; A32-G36 PolarHBondContact O-N 3.05Å | ||
| 37 | T | 90 | Very high | 93.7 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -88.7 | 143.4 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | A32 T35 W39 K41 I42 Y72 | A32-T37 VanDerWaalsContact CA-O 3.23Å; A32-T37 WeakPolarHBondContact CA-O 3.48Å; A32-T37 WeakPolarHBondContact CB-O 3.45Å; T35-T37 PolarHBondContact O-N 3.19Å; T37-W39 PolarHBondContact O-N 2.77Å; T37-K41 HydrophobicContact CG2-CB 4.17Å; T37-I42 HydrophobicContact CG2-CG1 4.25Å; T37-Y72 HydrophobicContact CG2-CD1 3.83Å; T37-Y72 HydrophobicContact CG2-CE1 4.03Å |
| 38 | R | 94.1 | Very high | 93.5 | Very high | 189 Ų | 189 | 76.7 Ų | 76.7 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | trans | -64.6 | 134.1 | 175.2 | -60.3 | -173.8 | 175.9 | 179.5 | -1.1 | 110.9 | N40 K41 | R38-N40 WeakPolarHBondContact CB-OD1 3.45Å; R38-N40 PolarHBondContact O-N 2.88Å; R38-N40 VanDerWaalsContact O-N 3.15Å; R38-K41 WeakPolarHBondContact O-CB 3.32Å; R38-K41 PolarHBondContact O-N 3.14Å | ||
| 39 | W | 94 | Very high | 93.3 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -57.2 | -32.9 | -176.1 | 70.5 | -90.8 | 0 | 0 | 0 | 113.7 | K28 K29 A32 T37 K41 I42 | K28-W39 HydrophobicContact CB-CB 4.3Å; K29-W39 HydrophobicContact CG-CB 4.2Å; K29-W39 HydrophobicContact CG-CG 4.14Å; A32-W39 HydrophobicContact CB-CB 3.91Å; T37-W39 PolarHBondContact O-N 2.77Å; W39-K41 PolarHBondContact O-N 3.11Å; W39-I42 WeakPolarHBondContact O-CB 3.36Å; W39-I42 PolarHBondContact O-N 2.78Å |
| 40 | N | 93.9 | Very high | 93.3 | Very high | 100 Ų | 100 | 79.2 Ų | 79.2 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -69.9 | -16.5 | 179.6 | 71.5 | -61 | 0 | 0 | 0 | 113.6 | R38 | R38-N40 WeakPolarHBondContact CB-OD1 3.45Å; R38-N40 PolarHBondContact O-N 2.88Å; R38-N40 VanDerWaalsContact O-N 3.15Å |
| 41 | K | 94.7 | Very high | 93.3 | Very high | 100 Ų | 100 | 76.5 Ų | 76.5 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -88.3 | -15.7 | 172.3 | -66.6 | -158.5 | 166.3 | -158.2 | 0 | 112.5 | T37 R38 W39 Y72 Q73 | T37-K41 HydrophobicContact CG2-CB 4.17Å; R38-K41 WeakPolarHBondContact O-CB 3.32Å; R38-K41 PolarHBondContact O-N 3.14Å; W39-K41 PolarHBondContact O-N 3.11Å; K41-Y72 CarbonylContact O-C 3.54Å; K41-Y72 VanDerWaalsContact O-CA 3.28Å; K41-Y72 WeakPolarHBondContact O-CA 3.33Å; K41-Q73 WeakPolarHBondContact CA-O 3.18Å; K41-Q73 WeakPolarHBondContact CB-O 3.42Å; K41-Q73 VanDerWaalsContact CD-O 3.32Å; K41-Q73 WeakPolarHBondContact CD-O 3.44Å; K41-Q73 WeakPolarHBondContact CG-O 3.31Å; K41-Q73 PolarHBondContact O-N 3.04Å |
| 42 | I | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.7 | -176.6 | -59.4 | 175.3 | 0 | 0 | 0 | 108.6 | K28 I31 A32 T37 W39 L44 L70 | K28-I42 WeakPolarHBondContact CD-O 3.09Å; K28-I42 WeakPolarHBondContact CE-O 3.31Å; K28-I42 HydrophobicContact CG-CB 4.33Å; K28-I42 HydrophobicContact CG-CG2 4.1Å; K28-I42 PolarHBondContact NZ-O 3.16Å; K28-I42 VanDerWaalsContact NZ-O 3.09Å; I31-I42 HydrophobicContact CB-CD1 4.16Å; I31-I42 HydrophobicContact CG2-CD1 3.82Å; A32-I42 HydrophobicContact CB-CD1 3.98Å; T37-I42 HydrophobicContact CG2-CG1 4.25Å; W39-I42 WeakPolarHBondContact O-CB 3.36Å; W39-I42 PolarHBondContact O-N 2.78Å; I42-L44 HydrophobicContact CG2-CD2 4.22Å; I42-L44 HydrophobicContact CG2-CG 4.34Å; I42-L70 HydrophobicContact CG2-CD1 4.35Å; I42-L70 HydrophobicContact CG2-CG 4.21Å |
| 43 | V | 95.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 84.8 Ų | 84.8 | 11% | 0.109 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.4 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | K45 I50 Y71 Q73 | V43-K45 HydrophobicContact CG1-CD 4.47Å; V43-K45 HydrophobicContact CG1-CG 4.06Å; V43-I50 HydrophobicContact CG1-CG2 3.87Å; V43-Y71 PolarHBondContact N-O 3.29Å; V43-Y71 PolarHBondContact O-N 2.8Å; V43-Q73 HydrophobicContact CG2-CB 4.11Å |
| 44 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.8 | 175.5 | -64.7 | 178 | 0 | 0 | 0 | 109.4 | I24 L27 K28 I31 I42 F51 L68 E69 L70 | I24-L44 HydrophobicContact CG2-CD1 4.42Å; L27-L44 HydrophobicContact CD2-CD1 3.69Å; L27-L44 HydrophobicContact CG-CD1 4.01Å; K28-L44 HydrophobicContact CG-CD1 4.03Å; K28-L44 HydrophobicContact CG-CG 4.24Å; I31-L44 HydrophobicContact CD1-CD1 3.99Å; I31-L44 HydrophobicContact CD1-CD2 3.85Å; I31-L44 HydrophobicContact CD1-CG 4.43Å; I42-L44 HydrophobicContact CG2-CD2 4.22Å; I42-L44 HydrophobicContact CG2-CG 4.34Å; L44-F51 HydrophobicContact CB-CD2 3.84Å; L44-F51 WeakPolarHBondContact O-CD2 3.39Å; L44-F51 PolarHBondContact O-N 3.39Å; L44-F51 VanDerWaalsContact O-N 3.14Å; L44-L68 HydrophobicContact CD1-CD1 4.36Å; L44-E69 WeakPolarHBondContact CA-O 3.44Å; L44-L70 HydrophobicContact CD2-CB 4.37Å; L44-L70 HydrophobicContact CD2-CG 4.39Å |
| 45 | K | 94.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 159.4 | 178.4 | -55.8 | -170 | -177 | -175.9 | 0 | 111.6 | V43 T49 I50 E69 Y71 | V43-K45 HydrophobicContact CG1-CD 4.47Å; V43-K45 HydrophobicContact CG1-CG 4.06Å; K45-T49 WeakPolarHBondContact CA-O 3.5Å; K45-T49 WeakPolarHBondContact CB-O 3.43Å; K45-I50 HydrophobicContact CD-CD1 4.46Å; K45-I50 HydrophobicContact CD-CG1 3.95Å; K45-I50 HydrophobicContact CG-CG1 4.11Å; K45-E69 HydrophobicContact CB-CB 4.37Å; K45-E69 PolarHBondContact N-O 3.45Å; K45-E69 WeakPolarHBondContact O-CB 3.48Å; K45-E69 PolarHBondContact O-N 3.21Å; K45-Y71 HydrophobicContact CB-CD2 4.25Å; K45-Y71 HydrophobicContact CB-CE2 3.94Å; K45-Y71 HydrophobicContact CD-CD2 3.91Å; K45-Y71 HydrophobicContact CD-CE2 3.76Å; K45-Y71 HydrophobicContact CG-CD2 3.92Å; K45-Y71 HydrophobicContact CG-CE2 3.98Å |
| 46 | K | 93.2 | Very high | 94.2 | Very high | 73 Ų | 73 | 83.3 Ų | 83.3 | 32% | 0.317 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 113.7 | 163.5 | -168 | -167.7 | -168.8 | 175.5 | 0 | 106.8 | Y48 T49 F51 M66 | K46-Y48 PolarHBondContact O-N 2.95Å; K46-T49 PolarHBondContact N-O 2.61Å; K46-T49 WeakPolarHBondContact O-CB 3.44Å; K46-T49 PolarHBondContact O-N 2.91Å; K46-F51 HydrophobicContact CB-CE2 3.86Å; K46-F51 HydrophobicContact CB-CZ 3.63Å; K46-M66 HydrophobicContact CD-CE 3.46Å; K46-M66 VanDerWaalsContact CD-CE 3.46Å; K46-M66 VanDerWaalsContact CE-CE 3.42Å; K46-M66 HydrophobicContact CG-CE 4.49Å; K46-M66 PolarHBondContact NZ-SD 2.91Å |
| 47 | W | 90.1 | Very high | 94.4 | Very high | 200 Ų | 200 | 79.7 Ų | 79.7 | 76% | 0.758 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -121.1 | -173.3 | -50.7 | 105.2 | 0 | 0 | 0 | 111.6 | E69 | W47-E69 PolarHBondContact N-OE1 2.9Š|
| 48 | Y | 90.1 | Very high | 94.7 | Very high | 226 Ų | 226 | 79.5 Ų | 79.5 | 89% | 0.886 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.5 | 179.2 | -55.1 | -74.3 | 0 | 0 | 0 | 113.5 | K46 | K46-Y48 PolarHBondContact O-N 2.95Š|
| 49 | T | 93.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.1 | -175.1 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | K45 K46 | K45-T49 WeakPolarHBondContact CA-O 3.5Å; K45-T49 WeakPolarHBondContact CB-O 3.43Å; K46-T49 PolarHBondContact N-O 2.61Å; K46-T49 WeakPolarHBondContact O-CB 3.44Å; K46-T49 PolarHBondContact O-N 2.91Å |
| 50 | I | 95.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 48% | 0.482 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.7 | 170.3 | -51.9 | -175.9 | 0 | 0 | 0 | 108.2 | V43 K45 | V43-I50 HydrophobicContact CG1-CG2 3.87Å; K45-I50 HydrophobicContact CD-CD1 4.46Å; K45-I50 HydrophobicContact CD-CG1 3.95Å; K45-I50 HydrophobicContact CG-CG1 4.11Å |
| 51 | F | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 136.2 | -178.9 | -62.1 | -66.4 | 0 | 0 | 0 | 111.6 | I24 L44 K46 Y60 I62 L68 | I24-F51 HydrophobicContact CB-CB 4.41Å; I24-F51 HydrophobicContact CD1-CB 3.67Å; I24-F51 HydrophobicContact CD1-CD1 4.24Å; I24-F51 HydrophobicContact CD1-CD2 4.39Å; I24-F51 HydrophobicContact CD1-CG 3.86Å; I24-F51 HydrophobicContact CG1-CB 3.86Å; I24-F51 HydrophobicContact CG1-CG 4.49Å; I24-F51 HydrophobicContact CG2-CB 3.79Å; L44-F51 HydrophobicContact CB-CD2 3.84Å; L44-F51 WeakPolarHBondContact O-CD2 3.39Å; L44-F51 PolarHBondContact O-N 3.39Å; L44-F51 VanDerWaalsContact O-N 3.14Å; K46-F51 HydrophobicContact CB-CE2 3.86Å; K46-F51 HydrophobicContact CB-CZ 3.63Å; F51-Y60 HydrophobicContact CB-CE2 4.06Å; F51-Y60 AromaticContact CD1-CD1 3.72Å; F51-Y60 HydrophobicContact CD1-CD1 3.72Å; F51-Y60 AromaticContact CD1-CD2 3.57Å; F51-Y60 HydrophobicContact CD1-CD2 3.57Å; F51-Y60 AromaticContact CD1-CE1 3.89Å; F51-Y60 HydrophobicContact CD1-CE1 3.89Å; F51-Y60 AromaticContact CD1-CE2 3.69Å; F51-Y60 HydrophobicContact CD1-CE2 3.69Å; F51-Y60 AromaticContact CD1-CG 3.58Å; F51-Y60 HydrophobicContact CD1-CG 3.58Å; F51-Y60 AromaticContact CD1-CZ 3.89Å; F51-Y60 AromaticContact CE1-CD1 3.9Å; F51-Y60 HydrophobicContact CE1-CD1 3.9Å; F51-Y60 HydrophobicContact CE1-CD2 4.24Å; F51-Y60 HydrophobicContact CE1-CE1 4.43Å; F51-Y60 AromaticContact CE1-CG 3.81Å; F51-Y60 HydrophobicContact CE1-CG 3.81Å; F51-Y60 HydrophobicContact CG-CD2 4.44Å; F51-Y60 HydrophobicContact CG-CE2 4.35Å; F51-I62 HydrophobicContact CE1-CD1 4.18Å; F51-I62 HydrophobicContact CZ-CD1 4.24Å; F51-L68 HydrophobicContact CE2-CD1 4.5Å; F51-L68 HydrophobicContact CE2-CD2 3.79Å; F51-L68 HydrophobicContact CZ-CD2 4.03Å |
| 52 | K | 96.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 70.8 Ų | 70.8 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 139.4 | 179.2 | -62.9 | -180 | -178.5 | 177.7 | 0 | 110.7 | I24 H54 V55 Y60 | I24-K52 WeakPolarHBondContact CB-O 3.26Å; K52-H54 VanDerWaalsContact C-N 3.29Å; K52-H54 PolarHBondContact O-N 3.49Å; K52-V55 HydrophobicContact CB-CG2 4.14Å; K52-V55 PolarHBondContact O-N 3.4Å; K52-Y60 WeakPolarHBondContact CB-OH 3.38Å; K52-Y60 PolarHBondContact N-OH 3Å |
| 53 | D | 96.5 | Very high | 94.9 | Very high | 61 Ų | 61 | 76.5 Ų | 76.5 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.5 | -169.3 | -64.9 | -16.7 | 0 | 0 | 0 | 115 | T23 G25 K28 | T23-D53 VanDerWaalsContact CB-O 3.28Å; T23-D53 WeakPolarHBondContact CB-O 3.48Å; T23-D53 PolarHBondContact OG1-O 3.04Å; G25-D53 PolarHBondContact N-O 3.01Å; K28-D53 VanDerWaalsContact CE-OD1 3.26Å; K28-D53 WeakPolarHBondContact CE-OD1 3.42Å; K28-D53 IonicContact NZ-OD1 2.66Å; K28-D53 PolarHBondContact NZ-OD1 3.49Å; K28-D53 IonicContact NZ-OD2 3.97Å |
| 54 | H | 95.1 | Very high | 94.9 | Very high | 144 Ų | 144 | 80.9 Ų | 80.9 | 67% | 0.667 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2.4 | -174.8 | 58 | -91.9 | 0 | 0 | 0 | 114.2 | K52 | K52-H54 VanDerWaalsContact C-N 3.29Å; K52-H54 PolarHBondContact O-N 3.49Å |
| 55 | V | 96.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 83.3 Ų | 83.3 | 17% | 0.17 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -95.3 | 142.2 | -179.9 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | T23 I24 K52 D59 Y60 | T23-V55 WeakPolarHBondContact CA-O 3.42Å; I24-V55 PolarHBondContact N-O 2.78Å; K52-V55 HydrophobicContact CB-CG2 4.14Å; K52-V55 PolarHBondContact O-N 3.4Å; V55-D59 HydrophobicContact CG1-CB 3.58Å; V55-Y60 HydrophobicContact CB-CD2 3.98Å; V55-Y60 HydrophobicContact CB-CE2 3.4Å; V55-Y60 HydrophobicContact CG1-CD2 3.55Å; V55-Y60 HydrophobicContact CG1-CE1 4.38Å; V55-Y60 HydrophobicContact CG1-CE2 3.38Å; V55-Y60 HydrophobicContact CG1-CG 4.16Å; V55-Y60 HydrophobicContact CG2-CE2 4.17Å |
| 56 | S | 97.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 160.5 | -179.1 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | D22 G58 D59 Y60 | D22-S56 CarbonylContact O-C 3.54Å; D22-S56 WeakPolarHBondContact O-CA 3.35Å; S56-G58 VanDerWaalsContact C-N 3.26Å; S56-G58 PolarHBondContact O-N 2.84Å; S56-D59 WeakPolarHBondContact CB-OD2 3.42Å; S56-D59 PolarHBondContact N-OD2 3.02Å; S56-D59 PolarHBondContact O-N 3.43Å; S56-D59 WeakPolarHBondContact OG-CB 3.48Å; S56-D59 PolarHBondContact OG-N 2.83Å; S56-D59 PolarHBondContact OG-OD2 3.18Å; S56-Y60 PolarHBondContact O-N 2.85Å |
| 57 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -37.5 | 172.5 | -65.2 | 176.9 | 0 | 0 | 0 | 111.2 | C18 N19 T20 D22 I24 L27 Y60 E61 I62 | C18-L57 HydrophobicContact CB-CD1 3.94Å; C18-L57 WeakPolarHBondContact SG-CD1 3.23Å; N19-L57 WeakPolarHBondContact O-CD1 3.36Å; T20-L57 PolarHBondContact O-N 2.71Å; D22-L57 HydrophobicContact CB-CD1 4.29Å; D22-L57 WeakPolarHBondContact O-CG 3.35Å; D22-L57 PolarHBondContact O-N 3.47Å; I24-L57 HydrophobicContact CD1-CD2 3.56Å; I24-L57 HydrophobicContact CG1-CD2 4.39Å; L27-L57 HydrophobicContact CB-CD2 4.36Å; L27-L57 HydrophobicContact CD2-CD1 4.46Å; L27-L57 HydrophobicContact CD2-CD2 3.64Å; L57-Y60 PolarHBondContact O-N 2.82Å; L57-E61 PolarHBondContact O-N 3.4Å; L57-I62 HydrophobicContact CB-CB 4.2Å; L57-I62 HydrophobicContact CD2-CB 4.43Å; L57-I62 HydrophobicContact CD2-CD1 3.51Å; L57-I62 HydrophobicContact CD2-CG2 4.45Å; L57-I62 WeakPolarHBondContact O-CB 3.27Å; L57-I62 PolarHBondContact O-N 2.77Å |
| 58 | G | 95.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 72.4 Ų | 72.4 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T20 S56 Y60 E61 | T20-G58 PolarHBondContact O-N 2.85Å; S56-G58 VanDerWaalsContact C-N 3.26Å; S56-G58 PolarHBondContact O-N 2.84Å; G58-Y60 PolarHBondContact O-N 3.46Å; G58-E61 WeakPolarHBondContact O-CA 3.07Å; G58-E61 PolarHBondContact O-N 2.9Å |
| 59 | D | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 64.4 Ų | 64.4 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.2 | 177.1 | -65.5 | -42.7 | 0 | 0 | 0 | 112.5 | V55 S56 E61 | V55-D59 HydrophobicContact CG1-CB 3.58Å; S56-D59 WeakPolarHBondContact CB-OD2 3.42Å; S56-D59 PolarHBondContact N-OD2 3.02Å; S56-D59 PolarHBondContact O-N 3.43Å; S56-D59 WeakPolarHBondContact OG-CB 3.48Å; S56-D59 PolarHBondContact OG-N 2.83Å; S56-D59 PolarHBondContact OG-OD2 3.18Å; D59-E61 VanDerWaalsContact C-N 3.32Å |
| 60 | Y | 95.9 | Very high | 95.3 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.3 | 173.4 | -80.9 | -54.5 | 0 | 0 | 0 | 114 | I24 F51 K52 V55 S56 L57 G58 I62 | I24-Y60 HydrophobicContact CD1-CD2 4.13Å; I24-Y60 HydrophobicContact CD1-CE2 4.5Å; I24-Y60 HydrophobicContact CG1-CD2 3.8Å; I24-Y60 HydrophobicContact CG1-CE2 3.85Å; F51-Y60 HydrophobicContact CB-CE2 4.06Å; F51-Y60 AromaticContact CD1-CD1 3.72Å; F51-Y60 HydrophobicContact CD1-CD1 3.72Å; F51-Y60 AromaticContact CD1-CD2 3.57Å; F51-Y60 HydrophobicContact CD1-CD2 3.57Å; F51-Y60 AromaticContact CD1-CE1 3.89Å; F51-Y60 HydrophobicContact CD1-CE1 3.89Å; F51-Y60 AromaticContact CD1-CE2 3.69Å; F51-Y60 HydrophobicContact CD1-CE2 3.69Å; F51-Y60 AromaticContact CD1-CG 3.58Å; F51-Y60 HydrophobicContact CD1-CG 3.58Å; F51-Y60 AromaticContact CD1-CZ 3.89Å; F51-Y60 AromaticContact CE1-CD1 3.9Å; F51-Y60 HydrophobicContact CE1-CD1 3.9Å; F51-Y60 HydrophobicContact CE1-CD2 4.24Å; F51-Y60 HydrophobicContact CE1-CE1 4.43Å; F51-Y60 AromaticContact CE1-CG 3.81Å; F51-Y60 HydrophobicContact CE1-CG 3.81Å; F51-Y60 HydrophobicContact CG-CD2 4.44Å; F51-Y60 HydrophobicContact CG-CE2 4.35Å; K52-Y60 WeakPolarHBondContact CB-OH 3.38Å; K52-Y60 PolarHBondContact N-OH 3Å; V55-Y60 HydrophobicContact CB-CD2 3.98Å; V55-Y60 HydrophobicContact CB-CE2 3.4Å; V55-Y60 HydrophobicContact CG1-CD2 3.55Å; V55-Y60 HydrophobicContact CG1-CE1 4.38Å; V55-Y60 HydrophobicContact CG1-CE2 3.38Å; V55-Y60 HydrophobicContact CG1-CG 4.16Å; V55-Y60 HydrophobicContact CG2-CE2 4.17Å; S56-Y60 PolarHBondContact O-N 2.85Å; L57-Y60 PolarHBondContact O-N 2.82Å; G58-Y60 PolarHBondContact O-N 3.46Å; Y60-I62 PolarHBondContact O-N 2.81Å |
| 61 | E | 94.9 | Very high | 95.2 | Very high | 141 Ų | 141 | 58.4 Ų | 58.4 | 66% | 0.659 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 40.2 | -177.6 | -56.5 | -178.4 | 166.5 | 0 | 0 | 112.2 | L57 G58 D59 H63 | L57-E61 PolarHBondContact O-N 3.4Å; G58-E61 WeakPolarHBondContact O-CA 3.07Å; G58-E61 PolarHBondContact O-N 2.9Å; D59-E61 VanDerWaalsContact C-N 3.32Å; E61-H63 PolarHBondContact O-CD2 3.23Å; E61-H63 PolarHBondContact O-N 3.36Å; E61-H63 PolarHBondContact O-NE2 2.65Å |
| 62 | I | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -83.6 | 114.6 | 175.8 | -61.8 | 171.8 | 0 | 0 | 0 | 108.5 | I2 V4 I24 F51 L57 Y60 M66 L68 | I2-I62 HydrophobicContact CD1-CG2 4.44Å; V4-I62 HydrophobicContact CG1-CG2 4.45Å; V4-I62 HydrophobicContact CG2-CG2 3.75Å; I24-I62 HydrophobicContact CD1-CD1 3.85Å; F51-I62 HydrophobicContact CE1-CD1 4.18Å; F51-I62 HydrophobicContact CZ-CD1 4.24Å; L57-I62 HydrophobicContact CB-CB 4.2Å; L57-I62 HydrophobicContact CD2-CB 4.43Å; L57-I62 HydrophobicContact CD2-CD1 3.51Å; L57-I62 HydrophobicContact CD2-CG2 4.45Å; L57-I62 WeakPolarHBondContact O-CB 3.27Å; L57-I62 PolarHBondContact O-N 2.77Å; Y60-I62 PolarHBondContact O-N 2.81Å; I62-M66 HydrophobicContact CG1-CE 3.95Å; I62-L68 HydrophobicContact CD1-CD1 4.28Å; I62-L68 HydrophobicContact CD1-CD2 4.41Å | ||
| 63 | H | 94.1 | Very high | 94.4 | Very high | 120 Ų | 120 | 65.2 Ų | 65.2 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | trans | -106.5 | 169.4 | -177.6 | -58.2 | -61.3 | 0 | 0 | 0 | 112.7 | E61 M66 | E61-H63 PolarHBondContact O-CD2 3.23Å; E61-H63 PolarHBondContact O-N 3.36Å; E61-H63 PolarHBondContact O-NE2 2.65Å; H63-M66 WeakPolarHBondContact O-CB 3.27Å; H63-M66 PolarHBondContact O-N 2.78Å | ||
| 64 | D | 95.5 | Very high | 94.3 | Very high | 111 Ų | 111 | 65.4 Ų | 65.4 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 135.6 | 175.5 | -169.2 | 54 | 0 | 0 | 0 | 112.3 | I2 E3 M66 | I2-D64 WeakPolarHBondContact CA-OD1 3.1Å; I2-D64 HydrophobicContact CB-CB 4.11Å; I2-D64 HydrophobicContact CG2-CB 4.04Å; E3-D64 PolarHBondContact N-OD1 3.15Å; D64-M66 PolarHBondContact O-N 2.74Å |
| 65 | G | 93 | Very high | 94.2 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | E3 | E3-G65 WeakPolarHBondContact O-CA 3.43Å; E3-G65 PolarHBondContact O-N 3.43Å |
| 66 | M | 95 | Very high | 94.1 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 14% | 0.138 | 33% | 0.328 | C | S | . | . | trans | -67.5 | 144.4 | -177.9 | -172.4 | 158.3 | 127.6 | 0 | 0 | 112.2 | V5 K46 I62 H63 D64 L68 | V5-M66 PolarHBondContact N-O 3.26Å; K46-M66 HydrophobicContact CD-CE 3.46Å; K46-M66 VanDerWaalsContact CD-CE 3.46Å; K46-M66 VanDerWaalsContact CE-CE 3.42Å; K46-M66 HydrophobicContact CG-CE 4.49Å; K46-M66 PolarHBondContact NZ-SD 2.91Å; I62-M66 HydrophobicContact CG1-CE 3.95Å; H63-M66 WeakPolarHBondContact O-CB 3.27Å; H63-M66 PolarHBondContact O-N 2.78Å; D64-M66 PolarHBondContact O-N 2.74Å; M66-L68 HydrophobicContact CE-CD2 3.59Å | ||
| 67 | N | 93.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.9 | 177.9 | -155 | -91.3 | 0 | 0 | 0 | 111.7 | V5 N7 | V5-N67 WeakPolarHBondContact CB-ND2 3.32Å; V5-N67 VanDerWaalsContact CG1-ND2 3.31Å; V5-N67 WeakPolarHBondContact CG1-ND2 3.15Å; V5-N67 CarbonylContact O-C 3.57Å; V5-N67 VanDerWaalsContact O-CA 3.27Å; V5-N67 WeakPolarHBondContact O-CA 3.15Å; V5-N67 PolarHBondContact O-ND2 2.98Å; N7-N67 VanDerWaalsContact CG-OD1 3.3Å; N7-N67 PolarHBondContact ND2-ND2 2.86Å; N7-N67 PolarHBondContact ND2-OD1 2.93Å; N7-N67 PolarHBondContact OD1-ND2 2.81Å |
| 68 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.5 | 174.5 | -55.4 | -175.4 | 0 | 0 | 0 | 110 | V4 V5 C6 N7 L27 L44 F51 I62 M66 | V4-L68 HydrophobicContact CG1-CD1 3.6Å; V4-L68 HydrophobicContact CG1-CG 3.67Å; V5-L68 PolarHBondContact O-N 3.33Å; C6-L68 CarbonylContact C-O 3.58Å; C6-L68 WeakPolarHBondContact CA-O 3.45Å; N7-L68 PolarHBondContact N-O 3.34Å; L27-L68 HydrophobicContact CD2-CD1 3.85Å; L44-L68 HydrophobicContact CD1-CD1 4.36Å; F51-L68 HydrophobicContact CE2-CD1 4.5Å; F51-L68 HydrophobicContact CE2-CD2 3.79Å; F51-L68 HydrophobicContact CZ-CD2 4.03Å; I62-L68 HydrophobicContact CD1-CD1 4.28Å; I62-L68 HydrophobicContact CD1-CD2 4.41Å; M66-L68 HydrophobicContact CE-CD2 3.59Å |
| 69 | E | 95 | Very high | 93.7 | Very high | 57 Ų | 57 | 72 Ų | 72 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130 | 173.1 | -57.6 | 170.6 | -148.8 | 0 | 0 | 109.7 | L44 K45 W47 Y71 | L44-E69 WeakPolarHBondContact CA-O 3.44Å; K45-E69 HydrophobicContact CB-CB 4.37Å; K45-E69 PolarHBondContact N-O 3.45Å; K45-E69 WeakPolarHBondContact O-CB 3.48Å; K45-E69 PolarHBondContact O-N 3.21Å; W47-E69 PolarHBondContact N-OE1 2.9Å; E69-Y71 HydrophobicContact CB-CD2 4.24Å; E69-Y71 HydrophobicContact CB-CE2 3.53Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.41Å; E69-Y71 PolarHBondContact OE2-OH 2.95Å |
| 70 | L | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.5 | 179.5 | -172.4 | 154.6 | 0 | 0 | 0 | 109.6 | C6 N7 D8 I31 I42 L44 Y72 | C6-L70 HydrophobicContact CB-CB 4.36Å; C6-L70 HydrophobicContact CB-CD1 3.96Å; N7-L70 PolarHBondContact O-N 3.29Å; D8-L70 HydrophobicContact CB-CD2 4.3Å; I31-L70 HydrophobicContact CD1-CD1 4.46Å; I31-L70 HydrophobicContact CG2-CD1 3.55Å; I42-L70 HydrophobicContact CG2-CD1 4.35Å; I42-L70 HydrophobicContact CG2-CG 4.21Å; L44-L70 HydrophobicContact CD2-CB 4.37Å; L44-L70 HydrophobicContact CD2-CG 4.39Å; L70-Y72 HydrophobicContact CD2-CD1 4.08Å; L70-Y72 HydrophobicContact CD2-CE1 3.42Å; L70-Y72 VanDerWaalsContact CD2-CE1 3.42Å; L70-Y72 HydrophobicContact CD2-CE2 3.91Å; L70-Y72 WeakPolarHBondContact CD2-OH 3.39Å |
| 71 | Y | 92.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.5 | 177.3 | -67.6 | -103.8 | 0 | 0 | 0 | 110 | R9 V43 K45 E69 | R9-Y71 HydrophobicContact CG-CE1 4.4Å; R9-Y71 VanDerWaalsContact NE-CZ 3.28Å; R9-Y71 PolarHBondContact NE-OH 3.44Å; R9-Y71 VanDerWaalsContact NE-OH 3.11Å; R9-Y71 PolarHBondContact NH2-OH 3.22Å; V43-Y71 PolarHBondContact N-O 3.29Å; V43-Y71 PolarHBondContact O-N 2.8Å; K45-Y71 HydrophobicContact CB-CD2 4.25Å; K45-Y71 HydrophobicContact CB-CE2 3.94Å; K45-Y71 HydrophobicContact CD-CD2 3.91Å; K45-Y71 HydrophobicContact CD-CE2 3.76Å; K45-Y71 HydrophobicContact CG-CD2 3.92Å; K45-Y71 HydrophobicContact CG-CE2 3.98Å; E69-Y71 HydrophobicContact CB-CD2 4.24Å; E69-Y71 HydrophobicContact CB-CE2 3.53Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.41Å; E69-Y71 PolarHBondContact OE2-OH 2.95Å |
| 72 | Y | 90.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 63.4 Ų | 63.4 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.5 | 168.8 | -48.1 | -75.4 | 0 | 0 | 0 | 110.1 | D8 T37 K41 L70 | D8-Y72 WeakPolarHBondContact OD2-CE2 3.48Å; D8-Y72 PolarHBondContact OD2-OH 3.22Å; T37-Y72 HydrophobicContact CG2-CD1 3.83Å; T37-Y72 HydrophobicContact CG2-CE1 4.03Å; K41-Y72 CarbonylContact O-C 3.54Å; K41-Y72 VanDerWaalsContact O-CA 3.28Å; K41-Y72 WeakPolarHBondContact O-CA 3.33Å; L70-Y72 HydrophobicContact CD2-CD1 4.08Å; L70-Y72 HydrophobicContact CD2-CE1 3.42Å; L70-Y72 VanDerWaalsContact CD2-CE1 3.42Å; L70-Y72 HydrophobicContact CD2-CE2 3.91Å; L70-Y72 WeakPolarHBondContact CD2-OH 3.39Å |
| 73 | Q | 84.8 | Confident | 93.1 | Very high | 191 Ų | 191 | 69.1 Ų | 69.1 | 89% | 0.893 | 35% | 0.351 | S | S | * | . | trans | -117.5 | 0 | 169.6 | -170.4 | 172.8 | -16.9 | 0 | 0 | 110.5 | K41 V43 | K41-Q73 WeakPolarHBondContact CA-O 3.18Å; K41-Q73 WeakPolarHBondContact CB-O 3.42Å; K41-Q73 VanDerWaalsContact CD-O 3.32Å; K41-Q73 WeakPolarHBondContact CD-O 3.44Å; K41-Q73 WeakPolarHBondContact CG-O 3.31Å; K41-Q73 PolarHBondContact O-N 3.04Å; V43-Q73 HydrophobicContact CG2-CB 4.11Å |
Retrieved 73 of 73 residues in 16.9 ms
(Link to these results)