| 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 | 79.7 | Confident | 94.3 | Very high | 136 Ų | 136 | 32.2 Ų | 32.2 | 67% | 0.67 | 16% | 0.161 | S | C | * | . | 0 | 125 | 0 | -174.1 | 163.1 | 99.6 | 0 | 0 | 107 | Q43 T50 L52 | M1-Q43 HydrophobicContact CE-CB 4.3Å; M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 3.86Å; M1-Q43 PolarHBondContact SD-NE2 3.15Å; M1-T50 HydrophobicContact CG-CG2 4.48Å; M1-T50 HydrophobicContact SD-CG2 3.98Å; M1-L52 HydrophobicContact CE-CB 3.55Å; M1-L52 HydrophobicContact CE-CD1 3.92Å; M1-L52 HydrophobicContact CE-CD2 4.43Å; M1-L52 HydrophobicContact CE-CG 4.17Å | |||
| 2 | T | 94.2 | Very high | 94 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 27% | 0.27 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132 | -177.7 | -48.6 | 0 | 0 | 0 | 0 | 109.5 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CE1 4.1Å; T2-Y4 HydrophobicContact CG2-CE2 3.88Å; T2-E49 PolarHBondContact OG1-OE1 3.45Å; T2-C51 CarbonylContact O-C 3.55Å; T2-C51 WeakPolarHBondContact O-CA 3.46Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; T2-L52 PolarHBondContact O-N 3.34Å |
| 3 | E | 97 | Very high | 93.7 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.9 | 173.9 | -175 | 175.8 | -151.5 | 0 | 0 | 109.6 | R41 L52 D54 R167 | E3-R41 IonicContact OE1-CZ 3Å; E3-R41 IonicContact OE1-NH2 3.27Å; E3-R41 PolarHBondContact OE1-NH2 3.41Å; E3-L52 WeakPolarHBondContact CA-O 3.45Å; E3-L52 HydrophobicContact CB-CB 4.33Å; E3-L52 HydrophobicContact CG-CB 4.26Å; E3-L52 HydrophobicContact CG-CD2 4.25Å; E3-L52 HydrophobicContact CG-CG 4.49Å; E3-D54 HydrophobicContact CG-CB 4.35Å; E3-R167 PolarHBondContact O-NH2 3.47Å |
| 4 | Y | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.7 | 175.7 | -63.9 | -73.2 | 0 | 0 | 0 | 109.7 | T2 L6 C51 L52 L53 D54 E76 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CE1 4.1Å; T2-Y4 HydrophobicContact CG2-CE2 3.88Å; Y4-L6 PolarHBondContact O-N 2.81Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.56Å; Y4-L52 PolarHBondContact N-O 2.95Å; Y4-L53 HydrophobicContact CD2-CD2 4.44Å; Y4-D54 PolarHBondContact O-N 2.92Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.43Å; Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.77Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.24Å; Y4-V160 HydrophobicContact CE2-CG1 3.55Å; Y4-V160 HydrophobicContact CG-CG1 4.21Å; Y4-V160 HydrophobicContact CG-CG2 4.28Å; Y4-I163 HydrophobicContact CD1-CB 4.32Å; Y4-I163 HydrophobicContact CD1-CD1 4.34Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.5Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.24Å; Y4-R164 PolarHBondContact OH-NE 3.43Å |
| 5 | K | 97.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 105.5 | 177.4 | -61.7 | 178.4 | 179.5 | -179.5 | 0 | 110.2 | D54 E76 G77 | K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 2.84Å; K5-D54 HydrophobicContact CG-CB 4.35Å; K5-E76 HydrophobicContact CB-CG 4.15Å; K5-E76 PolarHBondContact N-OE2 3.38Å; K5-E76 PolarHBondContact O-N 2.96Å; K5-G77 PolarHBondContact O-N 3.38Å |
| 6 | L | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.7 | -178 | -48.6 | -174.5 | 0 | 0 | 0 | 109.3 | Y4 L53 D54 I55 L56 F156 L159 V160 I163 | Y4-L6 PolarHBondContact O-N 2.81Å; L6-L53 HydrophobicContact CD1-CD1 4.47Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L6-D54 PolarHBondContact N-O 3.5Å; L6-I55 HydrophobicContact CB-CG1 4.4Å; L6-I55 HydrophobicContact CD1-CG1 4.42Å; L6-I55 WeakPolarHBondContact O-CA 3.34Å; L6-L56 PolarHBondContact O-N 3.33Å; L6-F156 HydrophobicContact CD1-CB 4.5Å; L6-F156 HydrophobicContact CD1-CD1 3.94Å; L6-L159 HydrophobicContact CB-CD2 4.25Å; L6-L159 HydrophobicContact CD1-CD2 4.45Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.4Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.41Å; L6-I163 HydrophobicContact CD2-CD1 3.41Å; L6-I163 VanDerWaalsContact CD2-CD1 3.41Å |
| 7 | V | 96.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.4 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.85Å; V7-L56 HydrophobicContact CG1-CD2 4.42Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V7-T58 HydrophobicContact CG1-CG2 3.89Å; V7-Y71 HydrophobicContact CG1-CD2 3.94Å; V7-Y71 HydrophobicContact CG1-CE2 4.44Å; V7-G77 PolarHBondContact N-O 3.45Å; V7-F78 HydrophobicContact CB-CD1 3.75Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.22Å; V7-F78 HydrophobicContact CG1-CE1 4.26Å; V7-F78 HydrophobicContact CG2-CD1 4.42Å; V7-F78 HydrophobicContact CG2-CE1 4.03Å; V7-F78 CarbonylContact O-C 3.34Å; V7-F78 WeakPolarHBondContact O-CA 3.35Å; V7-L79 PolarHBondContact O-N 3.15Å |
| 8 | V | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.1 | 176.5 | -166.6 | 0 | 0 | 0 | 0 | 108.7 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.19Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.9Å; V8-L56 PolarHBondContact N-O 3.42Å; V8-T58 PolarHBondContact O-OG1 3.35Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.36Å; V8-V81 HydrophobicContact CG1-CG2 3.59Å; V8-F156 HydrophobicContact CG2-CE1 4.05Å; V8-F156 HydrophobicContact CG2-CZ 4.35Å |
| 9 | V | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.5 | -179 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | V7 F78 L79 C80 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.85Å; V9-F78 HydrophobicContact CG1-CD1 4.46Å; V9-L79 WeakPolarHBondContact CG2-O 3.42Å; V9-L79 PolarHBondContact N-O 3.07Å; V9-L79 VanDerWaalsContact O-O 3.12Å; V9-C80 HydrophobicContact CG2-CB 4.48Å; V9-V81 PolarHBondContact O-N 3.17Å; V9-Y96 HydrophobicContact CB-CD1 4.15Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.44Å; V9-I100 HydrophobicContact CG2-CD1 4.06Å |
| 10 | G | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | 146.2 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | K16 V81 Y96 | G10-K16 PolarHBondContact O-NZ 3.01Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 3.05Å | ||
| 11 | A | 92.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -59 | 164.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | V14 K16 Y96 | A11-V14 HydrophobicContact CB-CG1 3.89Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.46Å; A11-K16 PolarHBondContact O-NZ 3.07Å; A11-Y96 WeakPolarHBondContact CA-OH 3.32Å; A11-Y96 PolarHBondContact N-OH 2.9Å |
| 12 | G | 90.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 19.4 Ų | 19.4 | 46% | 0.464 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 140.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | V14 | G12-V14 VanDerWaalsContact C-N 3.26Å; G12-V14 PolarHBondContact O-N 2.76Å |
| 13 | G | 90 | Very high | 94.6 | Very high | 61 Ų | 61 | 17.4 Ų | 17.4 | 63% | 0.629 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 3.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G15 K117 | G13-G15 PolarHBondContact O-N 3.29Å; G13-K117 WeakPolarHBondContact O-CE 3.47Å; G13-K117 PolarHBondContact O-NZ 2.96Å |
| 14 | V | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -72 | -16 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | A11 G12 K16 V81 A83 N116 | A11-V14 HydrophobicContact CB-CG1 3.89Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.46Å; G12-V14 VanDerWaalsContact C-N 3.26Å; G12-V14 PolarHBondContact O-N 2.76Å; V14-K16 HydrophobicContact CG2-CD 4.33Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.04Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; V14-A83 HydrophobicContact CB-CB 4.32Å; V14-A83 HydrophobicContact CG1-CB 4.42Å; V14-N116 PolarHBondContact O-ND2 2.95Å |
| 15 | G | 94.1 | Very high | 94 | Very high | 17 Ų | 17 | 21 Ų | 21 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 97.3 | 33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 3.29Å; G15-A18 PolarHBondContact O-N 2.83Å; G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 3.21Å |
| 16 | K | 94.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 21 Ų | 21 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.3 | -55.3 | 174.8 | -58.1 | -171.1 | -62.4 | -77.5 | 0 | 111.5 | V8 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81 | V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.19Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; G10-K16 PolarHBondContact O-NZ 3.01Å; A11-K16 PolarHBondContact O-NZ 3.07Å; V14-K16 HydrophobicContact CG2-CD 4.33Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.44Å; K16-L19 WeakPolarHBondContact O-CB 3.24Å; K16-L19 PolarHBondContact O-N 3.39Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-N 3.23Å; K16-T20 PolarHBondContact O-OG1 3.31Å; K16-D57 VanDerWaalsContact CB-OD1 3.31Å; K16-D57 WeakPolarHBondContact CB-OD1 3.35Å; K16-T58 WeakPolarHBondContact CE-O 3.28Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; K16-V81 HydrophobicContact CG-CB 4.3Å; K16-V81 HydrophobicContact CG-CG2 4.46Å |
| 17 | S | 92.4 | Very high | 93 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 177 | -37.3 | 0 | 0 | 0 | 0 | 112.2 | L19 T20 I21 Y32 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.16Å; S17-T20 PolarHBondContact O-N 3.16Å; S17-I21 WeakPolarHBondContact O-CB 3.2Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.21Å; S17-Y32 WeakPolarHBondContact CB-OH 3.37Å; S17-Y32 PolarHBondContact OG-OH 3.47Å; S17-Y32 VanDerWaalsContact OG-OH 3.06Å; S17-T35 PolarHBondContact OG-OG1 3.38Å; S17-D57 WeakPolarHBondContact CA-OD2 3.41Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD2 3.42Å |
| 18 | A | 94 | Very high | 92.2 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 2.83Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.44Å; A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 PolarHBondContact O-N 3.3Å; A18-F28 HydrophobicContact CB-CD2 4.49Å; A18-F28 HydrophobicContact CB-CE2 4.14Å; A18-A146 HydrophobicContact CB-CB 3.68Å |
| 19 | L | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 174.1 | -73.3 | 170.3 | 0 | 0 | 0 | 111.7 | G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156 | G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 3.21Å; K16-L19 WeakPolarHBondContact O-CB 3.24Å; K16-L19 PolarHBondContact O-N 3.39Å; K16-L19 VanDerWaalsContact O-N 3.16Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.16Å; L19-Q22 PolarHBondContact O-N 3.21Å; L19-L23 PolarHBondContact O-N 3.21Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L19-V114 HydrophobicContact CD1-CG1 4.06Å; L19-N116 HydrophobicContact CD1-CB 4.29Å; L19-A146 HydrophobicContact CD2-CB 3.92Å; L19-A146 HydrophobicContact CG-CB 4.17Å; L19-V152 HydrophobicContact CD2-CG1 4.32Å; L19-V152 HydrophobicContact CD2-CG2 3.84Å; L19-F156 HydrophobicContact CB-CE2 4.33Å; L19-F156 HydrophobicContact CB-CZ 4.45Å |
| 20 | T | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | K16 S17 Q22 L23 I24 Y40 I55 | K16-T20 PolarHBondContact O-N 3.23Å; K16-T20 PolarHBondContact O-OG1 3.31Å; S17-T20 PolarHBondContact O-N 3.16Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 2.82Å; T20-L23 WeakPolarHBondContact O-CB 3.4Å; T20-L23 PolarHBondContact O-N 2.84Å; T20-L23 VanDerWaalsContact O-N 3.13Å; T20-I24 HydrophobicContact CG2-CG1 4.28Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.5Å; T20-I24 PolarHBondContact O-N 2.83Å; T20-Y40 HydrophobicContact CG2-CD2 3.45Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y40 HydrophobicContact CG2-CE2 3.98Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.83Å |
| 21 | I | 93 | Very high | 88.8 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 178.4 | -66.4 | 166.7 | 0 | 0 | 0 | 110.6 | S17 L23 I24 Q25 V29 Y32 | S17-I21 WeakPolarHBondContact O-CB 3.2Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.21Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 2.93Å; I21-I24 PolarHBondContact O-N 3.03Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I21-Q25 HydrophobicContact CG2-CB 4.34Å; I21-Q25 HydrophobicContact CG2-CG 4.43Å; I21-Q25 WeakPolarHBondContact O-CB 3.41Å; I21-Q25 PolarHBondContact O-N 3.17Å; I21-V29 HydrophobicContact CG2-CG2 4.48Å; I21-Y32 HydrophobicContact CD1-CE2 4.04Å |
| 22 | Q | 95.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 177 | -175 | 65.5 | -75 | 0 | 0 | 111.5 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 PolarHBondContact O-N 3.3Å; L19-Q22 PolarHBondContact O-N 3.21Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 2.82Å; Q22-N26 VanDerWaalsContact O-CA 3.32Å; Q22-N26 WeakPolarHBondContact O-CA 3.38Å; Q22-N26 PolarHBondContact O-N 2.75Å; Q22-H27 WeakPolarHBondContact CA-O 3.39Å; Q22-H27 PolarHBondContact OE1-O 3.16Å; Q22-A146 WeakPolarHBondContact CG-O 3.38Å; Q22-A146 PolarHBondContact NE2-O 3.4Å; Q22-R149 HydrophobicContact CG-CB 4.06Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; Q22-V152 HydrophobicContact CB-CG1 4.44Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.11Å |
| 23 | L | 95.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 172.6 | -178.9 | 72.6 | 0 | 0 | 0 | 111.7 | L19 T20 I21 K42 L53 I55 V152 E153 F156 | L19-L23 PolarHBondContact O-N 3.21Å; T20-L23 WeakPolarHBondContact O-CB 3.4Å; T20-L23 PolarHBondContact O-N 2.84Å; T20-L23 VanDerWaalsContact O-N 3.13Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 2.93Å; L23-K42 HydrophobicContact CG-CD 4.49Å; L23-K42 PolarHBondContact O-NZ 2.94Å; L23-L53 HydrophobicContact CD2-CD1 4.16Å; L23-I55 HydrophobicContact CD2-CD1 3.48Å; L23-I55 VanDerWaalsContact CD2-CD1 3.48Å; L23-V152 HydrophobicContact CB-CG1 4.09Å; L23-E153 HydrophobicContact CD1-CG 3.79Å; L23-F156 HydrophobicContact CB-CD2 4.39Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD1-CD2 4.35Å; L23-F156 HydrophobicContact CD2-CB 4.08Å; L23-F156 HydrophobicContact CD2-CD1 3.83Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.13Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.2Å; L23-F156 HydrophobicContact CG-CD2 4.35Å |
| 24 | I | 92.9 | Very high | 85 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.5 | -49.2 | -171.5 | -60.2 | -66.8 | 0 | 0 | 0 | 111.8 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.28Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.5Å; T20-I24 PolarHBondContact O-N 2.83Å; I21-I24 PolarHBondContact O-N 3.03Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I24-Y40 HydrophobicContact CG1-CD1 4.28Å; I24-Y40 HydrophobicContact CG1-CG 4.24Å; I24-K42 HydrophobicContact CD1-CB 3.51Å; I24-K42 HydrophobicContact CD1-CD 4.22Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.19Å |
| 25 | Q | 89.1 | Confident | 83.5 | Confident | 114 Ų | 114 | 56.8 Ų | 56.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -106.5 | -7.3 | -167.1 | -59.4 | -177.7 | -3.6 | 0 | 0 | 113.4 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.34Å; I21-Q25 HydrophobicContact CG2-CG 4.43Å; I21-Q25 WeakPolarHBondContact O-CB 3.41Å; I21-Q25 PolarHBondContact O-N 3.17Å; Q25-H27 HydrophobicContact CB-CB 4.19Å; Q25-H27 PolarHBondContact O-N 3.4Å |
| 26 | N | 89.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 52.1 | 35.7 | -170.9 | -56.1 | -55.1 | 0 | 0 | 0 | 112.4 | Q22 R149 | Q22-N26 VanDerWaalsContact O-CA 3.32Å; Q22-N26 WeakPolarHBondContact O-CA 3.38Å; Q22-N26 PolarHBondContact O-N 2.75Å; N26-R149 PolarHBondContact OD1-NH1 3.32Å; N26-R149 PolarHBondContact OD1-NH2 2.98Å |
| 27 | H | 84.4 | Confident | 81 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | trans | -131.9 | 146 | -177.8 | -173.2 | 54.3 | 0 | 0 | 0 | 110 | Q22 Q25 | Q22-H27 WeakPolarHBondContact CA-O 3.39Å; Q22-H27 PolarHBondContact OE1-O 3.16Å; Q25-H27 HydrophobicContact CB-CB 4.19Å; Q25-H27 PolarHBondContact O-N 3.4Å | ||
| 28 | F | 81.2 | Confident | 80.5 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | trans | -115.6 | 126.6 | 173.5 | 179.3 | -105.5 | 0 | 0 | 0 | 108.7 | A18 D30 A146 K147 | A18-F28 HydrophobicContact CB-CD2 4.49Å; A18-F28 HydrophobicContact CB-CE2 4.14Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.45Å; F28-A146 HydrophobicContact CD2-CB 4.34Å; F28-A146 HydrophobicContact CE2-CB 4.29Å; F28-K147 HydrophobicContact CD1-CB 4.43Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.4Å; F28-K147 HydrophobicContact CE1-CB 4.13Å; F28-K147 HydrophobicContact CE1-CD 4.36Å; F28-K147 HydrophobicContact CE1-CG 3.88Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CZ-CB 4Å; F28-K147 HydrophobicContact CZ-CG 4.24Å | ||
| 29 | V | 75.2 | Confident | 80.2 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | trans | -105.7 | 116.9 | 179.9 | -169.8 | 0 | 0 | 0 | 0 | 108 | I21 E31 | I21-V29 HydrophobicContact CG2-CG2 4.48Å; V29-E31 WeakPolarHBondContact CG1-O 3.46Å | ||
| 30 | D | 69.8 | Low | 80 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -72.5 | -35.2 | -179.4 | -90.5 | -50.3 | 0 | 0 | 0 | 112.5 | F28 | F28-D30 WeakPolarHBondContact CE1-OD1 3.45Š|
| 31 | E | 66.6 | Low | 80.1 | Confident | 176 Ų | 176 | 81.5 Ų | 81.5 | 82% | 0.822 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -98.1 | 118.6 | 177 | -70 | -177.1 | -179.6 | 0 | 0 | 110.4 | V29 | V29-E31 WeakPolarHBondContact CG1-O 3.46Š|
| 32 | Y | 63.4 | Low | 80.1 | Confident | 98 Ų | 98 | 83 Ų | 83 | 38% | 0.384 | 41% | 0.413 | S | S | . | . | trans | -125.1 | 123.8 | -175.8 | -165.5 | -101.5 | 0 | 0 | 0 | 111.7 | S17 I21 T35 | S17-Y32 WeakPolarHBondContact CB-OH 3.37Å; S17-Y32 PolarHBondContact OG-OH 3.47Å; S17-Y32 VanDerWaalsContact OG-OH 3.06Å; I21-Y32 HydrophobicContact CD1-CE2 4.04Å; Y32-T35 VanDerWaalsContact CE1-OG1 3.24Å; Y32-T35 WeakPolarHBondContact CE1-OG1 3.33Å; Y32-T35 WeakPolarHBondContact OH-CB 3.4Å; Y32-T35 WeakPolarHBondContact OH-CG2 3.5Å; Y32-T35 PolarHBondContact OH-OG1 3.23Å | ||
| 33 | D | 64.1 | Low | 80.2 | Confident | 139 Ų | 139 | 88.4 Ų | 88.4 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 124.3 | 168 | -166 | 2.5 | 0 | 0 | 0 | 108.4 | T35 | D33-T35 PolarHBondContact O-N 2.98Š|
| 34 | P | 66 | Low | 80.3 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -46.5 | 124.6 | -179.6 | -30.9 | 36 | 0 | 0 | 0 | 113.5 | ||
| 35 | T | 62.8 | Low | 80.5 | Confident | 20 Ų | 20 | 91.3 Ų | 91.3 | 12% | 0.123 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143 | 179.9 | -22.6 | 0 | 0 | 0 | 0 | 110.7 | S17 Y32 D33 A59 | S17-T35 PolarHBondContact OG-OG1 3.38Å; Y32-T35 VanDerWaalsContact CE1-OG1 3.24Å; Y32-T35 WeakPolarHBondContact CE1-OG1 3.33Å; Y32-T35 WeakPolarHBondContact OH-CB 3.4Å; Y32-T35 WeakPolarHBondContact OH-CG2 3.5Å; Y32-T35 PolarHBondContact OH-OG1 3.23Å; D33-T35 PolarHBondContact O-N 2.98Å; T35-A59 WeakPolarHBondContact O-CB 3.49Å |
| 36 | I | 68.3 | Low | 80.9 | Confident | 154 Ų | 154 | 85.9 Ų | 85.9 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -89.8 | -68.4 | 162.6 | -59.4 | 176.2 | 0 | 0 | 0 | 108.5 | A59 | I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 3.39Å; I36-A59 VanDerWaalsContact O-N 3.16Å |
| 37 | E | 67.8 | Low | 81.3 | Confident | 86 Ų | 86 | 87 Ų | 87 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 131.5 | 172.8 | -176.7 | 178.5 | 104.7 | 0 | 0 | 107.6 | L56 | E37-L56 HydrophobicContact CG-CD1 3.7Å; E37-L56 HydrophobicContact CG-CG 4.31Å |
| 38 | D | 82.4 | Confident | 81.8 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.6 | 177.7 | -78.8 | -41.7 | 0 | 0 | 0 | 111.2 | Y40 D57 | D38-Y40 HydrophobicContact CB-CD2 4.23Å; D38-Y40 HydrophobicContact CB-CE2 3.37Å; D38-Y40 PolarHBondContact OD2-OH 3.42Å; D38-D57 PolarHBondContact N-O 3.01Å; D38-D57 VanDerWaalsContact N-O 3.15Å; D38-D57 PolarHBondContact O-N 2.92Å |
| 39 | S | 87.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 86.4 Ų | 86.4 | 51% | 0.51 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.4 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | D54 I55 | S39-D54 PolarHBondContact OG-OD1 3.22Å; S39-D54 VanDerWaalsContact OG-OD1 3.11Å; S39-I55 CarbonylContact C-O 3.47Å; S39-I55 WeakPolarHBondContact CA-O 3.3Å |
| 40 | Y | 92.6 | Very high | 83.6 | Confident | 43 Ų | 43 | 86.4 Ų | 86.4 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.8 | 179.9 | -61.3 | -91.8 | 0 | 0 | 0 | 110.6 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.45Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y40 HydrophobicContact CG2-CE2 3.98Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; I24-Y40 HydrophobicContact CG1-CD1 4.28Å; I24-Y40 HydrophobicContact CG1-CG 4.24Å; D38-Y40 HydrophobicContact CB-CD2 4.23Å; D38-Y40 HydrophobicContact CB-CE2 3.37Å; D38-Y40 PolarHBondContact OD2-OH 3.42Å; Y40-I55 PolarHBondContact N-O 3.29Å; Y40-I55 PolarHBondContact O-N 3.47Å; Y40-D57 HydrophobicContact CE2-CB 4.16Å |
| 41 | R | 94.9 | Very high | 84.9 | Confident | 152 Ų | 152 | 80.1 Ų | 80.1 | 57% | 0.574 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.7 | 178.2 | -68.5 | -179.7 | 173.9 | -156.7 | -14.2 | 111.6 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-CZ 3Å; E3-R41 IonicContact OE1-NH2 3.27Å; E3-R41 PolarHBondContact OE1-NH2 3.41Å; R41-L52 HydrophobicContact CB-CD1 4.32Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.48Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 IonicContact CZ-OD2 3.55Å; R41-D54 IonicContact NE-OD1 3.93Å; R41-D54 PolarHBondContact NE-OD1 2.96Å; R41-D54 IonicContact NE-OD2 2.79Å; R41-D54 IonicContact NH2-OD2 2.66Å; R41-D54 PolarHBondContact NH2-OD2 3.24Å |
| 42 | K | 94.7 | Very high | 86.4 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 127.8 | 175.4 | -170.9 | -177.3 | -173.3 | -179.8 | 0 | 111.4 | L23 I24 V44 L53 | L23-K42 HydrophobicContact CG-CD 4.49Å; L23-K42 PolarHBondContact O-NZ 2.94Å; I24-K42 HydrophobicContact CD1-CB 3.51Å; I24-K42 HydrophobicContact CD1-CD 4.22Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.78Å; K42-V44 HydrophobicContact CG-CG1 3.82Å; K42-L53 PolarHBondContact N-O 3.46Å; K42-L53 PolarHBondContact O-N 3Å |
| 43 | Q | 97.1 | Very high | 88 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.1 | 168.7 | -173.3 | 176.4 | 1.5 | 0 | 0 | 109.3 | M1 T50 C51 | M1-Q43 HydrophobicContact CE-CB 4.3Å; M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 3.86Å; M1-Q43 PolarHBondContact SD-NE2 3.15Å; Q43-T50 HydrophobicContact CG-CG2 3.93Å; Q43-C51 WeakPolarHBondContact CA-O 3.14Å |
| 44 | V | 96.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.3 | -178.6 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | K42 I46 T50 C51 L53 Y157 | K42-V44 HydrophobicContact CD-CG1 3.78Å; K42-V44 HydrophobicContact CG-CG1 3.82Å; V44-I46 HydrophobicContact CG2-CD1 3.74Å; V44-I46 HydrophobicContact CG2-CG1 3.79Å; V44-T50 WeakPolarHBondContact O-CA 3.47Å; V44-C51 PolarHBondContact N-O 2.93Å; V44-C51 PolarHBondContact O-N 2.76Å; V44-L53 HydrophobicContact CG1-CD1 4.34Å; V44-L53 HydrophobicContact CG2-CD1 3.86Å; V44-L53 HydrophobicContact CG2-CD2 4.05Å; V44-L53 HydrophobicContact CG2-CG 3.72Å; V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.22Å |
| 45 | V | 97.4 | Very high | 91 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 53% | 0.527 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.7 | 171.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | E49 | V45-E49 WeakPolarHBondContact CA-O 3.41Å |
| 46 | I | 97.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.2 | -179.8 | -58.2 | 172.2 | 0 | 0 | 0 | 108.3 | V44 G48 E49 L53 Y157 V160 R164 | V44-I46 HydrophobicContact CG2-CD1 3.74Å; V44-I46 HydrophobicContact CG2-CG1 3.79Å; I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 3.35Å; I46-E49 PolarHBondContact N-O 2.91Å; I46-E49 PolarHBondContact O-N 2.97Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; I46-Y157 HydrophobicContact CD1-CD1 3.38Å; I46-Y157 HydrophobicContact CD1-CE1 3.81Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.22Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.37Å; I46-Y157 HydrophobicContact CG1-CG 3.89Å; I46-Y157 HydrophobicContact CG2-CG 4.36Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.74Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; I46-R164 PolarHBondContact O-NH1 3.37Å; I46-R164 PolarHBondContact O-NH2 3.47Å |
| 47 | D | 96.3 | Very high | 93.5 | Very high | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.2 | -177.8 | -48.5 | -37.4 | 0 | 0 | 0 | 112.8 | E49 R161 R164 | D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 2.82Å; D47-R161 IonicContact OD1-CZ 3.46Å; D47-R161 IonicContact OD1-NE 3.29Å; D47-R161 PolarHBondContact OD1-NE 3.08Å; D47-R161 IonicContact OD1-NH2 2.76Å; D47-R161 PolarHBondContact OD1-NH2 3.29Å; D47-R161 WeakPolarHBondContact OD2-CG 3.39Å; D47-R161 IonicContact OD2-CZ 3.7Å; D47-R161 IonicContact OD2-NE 2.83Å; D47-R161 PolarHBondContact OD2-NE 2.69Å; D47-R161 IonicContact OD2-NH2 3.72Å; D47-R164 IonicContact OD2-NH1 3.4Å; D47-R164 PolarHBondContact OD2-NH1 3.39Å |
| 48 | G | 95.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 48 Ų | 48 | 74% | 0.742 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -5.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I46 | I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 3.35Å |
| 49 | E | 96.1 | Very high | 93.9 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.3 | 175.8 | -173.7 | -166.3 | 170.7 | 0 | 0 | 111 | T2 V45 I46 D47 R164 | T2-E49 PolarHBondContact OG1-OE1 3.45Å; V45-E49 WeakPolarHBondContact CA-O 3.41Å; I46-E49 PolarHBondContact N-O 2.91Å; I46-E49 PolarHBondContact O-N 2.97Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 2.82Å; E49-R164 IonicContact OE2-CZ 3.28Å; E49-R164 VanDerWaalsContact OE2-CZ 3.28Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.01Å; E49-R164 IonicContact OE2-NH2 2.75Å; E49-R164 PolarHBondContact OE2-NH2 2.97Å |
| 50 | T | 97.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.2 | 173.8 | -54.4 | 0 | 0 | 0 | 0 | 111 | M1 Q43 V44 | M1-T50 HydrophobicContact CG-CG2 4.48Å; M1-T50 HydrophobicContact SD-CG2 3.98Å; Q43-T50 HydrophobicContact CG-CG2 3.93Å; V44-T50 WeakPolarHBondContact O-CA 3.47Å |
| 51 | C | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 161.2 | 179.6 | 62 | 0 | 0 | 0 | 0 | 112.8 | T2 Y4 Q43 V44 | T2-C51 CarbonylContact O-C 3.55Å; T2-C51 WeakPolarHBondContact O-CA 3.46Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.56Å; Q43-C51 WeakPolarHBondContact CA-O 3.14Å; V44-C51 PolarHBondContact N-O 2.93Å; V44-C51 PolarHBondContact O-N 2.76Å |
| 52 | L | 97.9 | Very high | 89.4 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.6 | 169.9 | -168.1 | 59.6 | 0 | 0 | 0 | 109.3 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact CE-CB 3.55Å; M1-L52 HydrophobicContact CE-CD1 3.92Å; M1-L52 HydrophobicContact CE-CD2 4.43Å; M1-L52 HydrophobicContact CE-CG 4.17Å; T2-L52 PolarHBondContact O-N 3.34Å; E3-L52 WeakPolarHBondContact CA-O 3.45Å; E3-L52 HydrophobicContact CB-CB 4.33Å; E3-L52 HydrophobicContact CG-CB 4.26Å; E3-L52 HydrophobicContact CG-CD2 4.25Å; E3-L52 HydrophobicContact CG-CG 4.49Å; Y4-L52 PolarHBondContact N-O 2.95Å; R41-L52 HydrophobicContact CB-CD1 4.32Å |
| 53 | L | 98 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.5 | 164.7 | -50.5 | -174.8 | 0 | 0 | 0 | 107.9 | Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160 | Y4-L53 HydrophobicContact CD2-CD2 4.44Å; L6-L53 HydrophobicContact CD1-CD1 4.47Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L23-L53 HydrophobicContact CD2-CD1 4.16Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.48Å; K42-L53 PolarHBondContact N-O 3.46Å; K42-L53 PolarHBondContact O-N 3Å; V44-L53 HydrophobicContact CG1-CD1 4.34Å; V44-L53 HydrophobicContact CG2-CD1 3.86Å; V44-L53 HydrophobicContact CG2-CD2 4.05Å; V44-L53 HydrophobicContact CG2-CG 3.72Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; L53-I55 HydrophobicContact CB-CD1 4.13Å; L53-I55 HydrophobicContact CB-CG1 3.96Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-Y157 HydrophobicContact CD1-CE1 4.4Å; L53-V160 HydrophobicContact CD2-CG2 3.66Å |
| 54 | D | 97.1 | Very high | 85.7 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 100.7 | 168.2 | -168.5 | 3 | 0 | 0 | 0 | 107.3 | E3 Y4 K5 L6 S39 R41 | E3-D54 HydrophobicContact CG-CB 4.35Å; Y4-D54 PolarHBondContact O-N 2.92Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 2.84Å; K5-D54 HydrophobicContact CG-CB 4.35Å; L6-D54 PolarHBondContact N-O 3.5Å; S39-D54 PolarHBondContact OG-OD1 3.22Å; S39-D54 VanDerWaalsContact OG-OD1 3.11Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 IonicContact CZ-OD2 3.55Å; R41-D54 IonicContact NE-OD1 3.93Å; R41-D54 PolarHBondContact NE-OD1 2.96Å; R41-D54 IonicContact NE-OD2 2.79Å; R41-D54 IonicContact NH2-OD2 2.66Å; R41-D54 PolarHBondContact NH2-OD2 3.24Å |
| 55 | I | 96.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.9 | -168.3 | -53.1 | 176.2 | 0 | 0 | 0 | 108.6 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.4Å; L6-I55 HydrophobicContact CD1-CG1 4.42Å; L6-I55 WeakPolarHBondContact O-CA 3.34Å; V8-I55 HydrophobicContact CG2-CG2 3.9Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.83Å; L23-I55 HydrophobicContact CD2-CD1 3.48Å; L23-I55 VanDerWaalsContact CD2-CD1 3.48Å; I24-I55 HydrophobicContact CD1-CD1 4.19Å; S39-I55 CarbonylContact C-O 3.47Å; S39-I55 WeakPolarHBondContact CA-O 3.3Å; Y40-I55 PolarHBondContact N-O 3.29Å; Y40-I55 PolarHBondContact O-N 3.47Å; L53-I55 HydrophobicContact CB-CD1 4.13Å; L53-I55 HydrophobicContact CB-CG1 3.96Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; I55-F156 HydrophobicContact CD1-CD1 3.98Å; I55-F156 HydrophobicContact CD1-CE1 3.86Å; I55-F156 HydrophobicContact CG2-CE1 4Å |
| 56 | L | 93.8 | Very high | 82.5 | Confident | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 116.6 | 170.4 | -169.1 | 73.5 | 0 | 0 | 0 | 110.2 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 3.33Å; V7-L56 HydrophobicContact CG1-CD2 4.42Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V8-L56 PolarHBondContact N-O 3.42Å; E37-L56 HydrophobicContact CG-CD1 3.7Å; E37-L56 HydrophobicContact CG-CG 4.31Å; L56-T58 HydrophobicContact CD2-CG2 4.28Å; L56-T58 HydrophobicContact CG-CG2 4.43Å; L56-Y71 HydrophobicContact CD2-CD1 3.92Å; L56-Y71 HydrophobicContact CD2-CD2 4.41Å; L56-Y71 HydrophobicContact CD2-CG 3.63Å |
| 57 | D | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.9 | 169.2 | -174 | 37.1 | 0 | 0 | 0 | 109.8 | K16 S17 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.31Å; K16-D57 WeakPolarHBondContact CB-OD1 3.35Å; S17-D57 WeakPolarHBondContact CA-OD2 3.41Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD2 3.42Å; D38-D57 PolarHBondContact N-O 3.01Å; D38-D57 VanDerWaalsContact N-O 3.15Å; D38-D57 PolarHBondContact O-N 2.92Å; Y40-D57 HydrophobicContact CE2-CB 4.16Å |
| 58 | T | 83.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 142.5 | -172.9 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | V7 V8 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.89Å; V8-T58 PolarHBondContact O-OG1 3.35Å; K16-T58 WeakPolarHBondContact CE-O 3.28Å; L56-T58 HydrophobicContact CD2-CG2 4.28Å; L56-T58 HydrophobicContact CG-CG2 4.43Å; T58-G60 PolarHBondContact O-N 3.05Å; T58-Y71 HydrophobicContact CG2-CD1 4.4Å; T58-Y71 HydrophobicContact CG2-CD2 4.23Å; T58-Y71 HydrophobicContact CG2-CE1 4.01Å; T58-Y71 HydrophobicContact CG2-CE2 3.9Å; T58-Y71 HydrophobicContact CG2-CG 4.5Å |
| 59 | A | 75.5 | Confident | 79.1 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | trans | -55.9 | 134.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T35 I36 Q61 | T35-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 3.39Å; I36-A59 VanDerWaalsContact O-N 3.16Å; A59-Q61 PolarHBondContact O-N 2.89Å | ||
| 60 | G | 62.3 | Low | 78.5 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -75.2 | 7.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K16 T58 | K16-G60 VanDerWaalsContact NZ-CA 3.32Å; T58-G60 PolarHBondContact O-N 3.05Å |
| 61 | Q | 60.2 | Low | 77.8 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | trans | -95.8 | 140.4 | -177.1 | -71.8 | -176.6 | -12.3 | 0 | 0 | 111.3 | A59 E63 R68 | A59-Q61 PolarHBondContact O-N 2.89Å; Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 PolarHBondContact O-N 3.41Å; Q61-R68 PolarHBondContact O-NH2 2.97Å | ||
| 62 | E | 57.9 | Low | 77.3 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | trans | -85 | 6.5 | -167.2 | -65.4 | -174 | 153.6 | 0 | 0 | 115.2 | Y64 | E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 PolarHBondContact O-N 3.28Å | ||
| 63 | E | 54.7 | Low | 76.9 | Confident | 143 Ų | 143 | 63.6 Ų | 63.6 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -80.2 | -9.8 | -154.9 | -66 | 170.2 | -169.2 | 0 | 0 | 114.5 | Q61 | Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 PolarHBondContact O-N 3.41Å |
| 64 | Y | 59.4 | Low | 76.5 | Confident | 175 Ų | 175 | 67.2 Ų | 67.2 | 69% | 0.686 | 34% | 0.341 | S | S | * | . | trans | -139.6 | 98.1 | 177.8 | -67.6 | -80.3 | 0 | 0 | 0 | 114.5 | E62 A66 | E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 PolarHBondContact O-N 3.28Å; Y64-A66 PolarHBondContact O-N 3.07Å | ||
| 65 | S | 63.1 | Low | 76.4 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.1 | -32.4 | -178.3 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | R68 D69 | S65-R68 WeakPolarHBondContact O-CB 3.35Å; S65-R68 PolarHBondContact O-N 2.96Å; S65-D69 PolarHBondContact O-N 3.06Å |
| 66 | A | 63 | Low | 76.5 | Confident | 79 Ų | 79 | 69 Ų | 69 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.7 | -40.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y64 R68 D69 | Y64-A66 PolarHBondContact O-N 3.07Å; A66-R68 VanDerWaalsContact C-N 3.26Å; A66-R68 PolarHBondContact O-N 3.31Å; A66-D69 PolarHBondContact O-N 2.73Å |
| 67 | M | 65.8 | Low | 76.7 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 59% | 0.586 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.1 | -32.7 | 175.7 | -63.3 | -175.4 | 102.2 | 0 | 0 | 110.8 | D69 Q70 Y71 | M67-D69 PolarHBondContact O-N 3.2Å; M67-Q70 WeakPolarHBondContact O-CB 3.23Å; M67-Q70 PolarHBondContact O-N 3.32Å; M67-Y71 VanDerWaalsContact O-CD1 3.27Å; M67-Y71 WeakPolarHBondContact O-CD1 3.36Å; M67-Y71 PolarHBondContact O-N 3.07Å |
| 68 | R | 72 | Confident | 77.1 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 6% | 0.064 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.1 | 179.3 | 174.4 | -60 | -171.4 | 3.1 | 113.7 | Q61 S65 A66 Q70 Y71 M72 | Q61-R68 PolarHBondContact O-NH2 2.97Å; S65-R68 WeakPolarHBondContact O-CB 3.35Å; S65-R68 PolarHBondContact O-N 2.96Å; A66-R68 VanDerWaalsContact C-N 3.26Å; A66-R68 PolarHBondContact O-N 3.31Å; R68-Q70 PolarHBondContact O-N 2.99Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.21Å; R68-Y71 HydrophobicContact CB-CE2 4.43Å; R68-Y71 HydrophobicContact CG-CE2 3.92Å; R68-Y71 VanDerWaalsContact CG-OH 3.24Å; R68-Y71 WeakPolarHBondContact CG-OH 3.41Å; R68-Y71 VanDerWaalsContact O-CD2 3.29Å; R68-Y71 WeakPolarHBondContact O-CD2 3.26Å; R68-Y71 WeakPolarHBondContact O-CE2 3.23Å; R68-M72 HydrophobicContact CG-CE 3.62Å; R68-M72 HydrophobicContact CG-SD 4.05Å; R68-M72 WeakPolarHBondContact O-CG 3.38Å; R68-M72 PolarHBondContact O-N 2.88Å |
| 69 | D | 80.9 | Confident | 77.8 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -26.9 | 179 | -73.7 | 0.3 | 0 | 0 | 0 | 112.1 | S65 A66 M67 R73 Q99 V103 | S65-D69 PolarHBondContact O-N 3.06Å; A66-D69 PolarHBondContact O-N 2.73Å; M67-D69 PolarHBondContact O-N 3.2Å; D69-R73 VanDerWaalsContact O-CB 3.27Å; D69-R73 WeakPolarHBondContact O-CB 3.03Å; D69-R73 PolarHBondContact O-N 2.9Å; D69-Q99 PolarHBondContact OD1-NE2 3Å; D69-V103 HydrophobicContact CB-CG2 4.25Å; D69-V103 WeakPolarHBondContact O-CG1 3.42Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.32Å |
| 70 | Q | 82.1 | Confident | 78.9 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.6 | -51.3 | 179.2 | -177.8 | 176 | -29.1 | 0 | 0 | 112 | M67 R68 R73 T74 | M67-Q70 WeakPolarHBondContact O-CB 3.23Å; M67-Q70 PolarHBondContact O-N 3.32Å; R68-Q70 PolarHBondContact O-N 2.99Å; Q70-R73 WeakPolarHBondContact O-CB 3.45Å; Q70-R73 PolarHBondContact O-N 3.47Å; Q70-T74 PolarHBondContact O-N 2.85Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.65Å |
| 71 | Y | 82.3 | Confident | 80.6 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.9 | -31.9 | 179.5 | 55.5 | -115.1 | 0 | 0 | 0 | 113.1 | V7 L56 T58 M67 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.94Å; V7-Y71 HydrophobicContact CG1-CE2 4.44Å; L56-Y71 HydrophobicContact CD2-CD1 3.92Å; L56-Y71 HydrophobicContact CD2-CD2 4.41Å; L56-Y71 HydrophobicContact CD2-CG 3.63Å; T58-Y71 HydrophobicContact CG2-CD1 4.4Å; T58-Y71 HydrophobicContact CG2-CD2 4.23Å; T58-Y71 HydrophobicContact CG2-CE1 4.01Å; T58-Y71 HydrophobicContact CG2-CE2 3.9Å; T58-Y71 HydrophobicContact CG2-CG 4.5Å; M67-Y71 VanDerWaalsContact O-CD1 3.27Å; M67-Y71 WeakPolarHBondContact O-CD1 3.36Å; M67-Y71 PolarHBondContact O-N 3.07Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.21Å; R68-Y71 HydrophobicContact CB-CE2 4.43Å; R68-Y71 HydrophobicContact CG-CE2 3.92Å; R68-Y71 VanDerWaalsContact CG-OH 3.24Å; R68-Y71 WeakPolarHBondContact CG-OH 3.41Å; R68-Y71 VanDerWaalsContact O-CD2 3.29Å; R68-Y71 WeakPolarHBondContact O-CD2 3.26Å; R68-Y71 WeakPolarHBondContact O-CE2 3.23Å; Y71-R73 PolarHBondContact O-N 3.49Å; Y71-T74 PolarHBondContact O-N 2.63Å; Y71-T74 PolarHBondContact O-OG1 2.64Å; Y71-G75 PolarHBondContact O-N 3.07Å |
| 72 | M | 86.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 172.6 | -71.5 | -178.7 | 179 | 0 | 0 | 111 | R68 F78 Q99 I100 V103 K104 | R68-M72 HydrophobicContact CG-CE 3.62Å; R68-M72 HydrophobicContact CG-SD 4.05Å; R68-M72 WeakPolarHBondContact O-CG 3.38Å; R68-M72 PolarHBondContact O-N 2.88Å; M72-F78 HydrophobicContact CB-CE1 4.42Å; M72-F78 HydrophobicContact CG-CE1 4.24Å; M72-F78 WeakPolarHBondContact O-CZ 3.47Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 3.91Å; M72-Q99 HydrophobicContact SD-CB 4.27Å; M72-Q99 HydrophobicContact SD-CG 3.61Å; M72-I100 HydrophobicContact CE-CG1 4.24Å; M72-I100 HydrophobicContact CG-CG1 4.43Å; M72-I100 HydrophobicContact SD-CG1 4.27Å; M72-V103 HydrophobicContact CB-CB 3.93Å; M72-V103 HydrophobicContact CB-CG1 3.67Å; M72-V103 HydrophobicContact CB-CG2 4.24Å; M72-V103 HydrophobicContact SD-CG2 4.09Å; M72-K104 WeakPolarHBondContact O-CD 3.44Å; M72-K104 WeakPolarHBondContact O-CE 3.45Å; M72-K104 PolarHBondContact O-NZ 3.08Å |
| 73 | R | 90.6 | Very high | 84.3 | Confident | 163 Ų | 163 | 54 Ų | 54 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.6 | -38.2 | 175.9 | -164.6 | 179.1 | -56.9 | -93.3 | -3.8 | 112.3 | D69 Q70 Y71 V103 K104 | D69-R73 VanDerWaalsContact O-CB 3.27Å; D69-R73 WeakPolarHBondContact O-CB 3.03Å; D69-R73 PolarHBondContact O-N 2.9Å; Q70-R73 WeakPolarHBondContact O-CB 3.45Å; Q70-R73 PolarHBondContact O-N 3.47Å; Y71-R73 PolarHBondContact O-N 3.49Å; R73-V103 HydrophobicContact CB-CG1 4.09Å; R73-K104 PolarHBondContact O-NZ 3.48Å |
| 74 | T | 90.3 | Very high | 86.4 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 47% | 0.466 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -87.6 | -25.9 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 2.85Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.65Å; Y71-T74 PolarHBondContact O-N 2.63Å; Y71-T74 PolarHBondContact O-OG1 2.64Å |
| 75 | G | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -68 | 133.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y71 K104 | Y71-G75 PolarHBondContact O-N 3.07Å; G75-K104 WeakPolarHBondContact O-CE 3.26Å; G75-K104 PolarHBondContact O-NZ 3.06Å | ||
| 76 | E | 97.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -90.4 | -25.1 | -177.4 | -63.5 | -176 | 105.3 | 0 | 0 | 113.1 | Y4 K5 I163 R167 | Y4-E76 WeakPolarHBondContact CA-OE2 3.43Å; K5-E76 HydrophobicContact CB-CG 4.15Å; K5-E76 PolarHBondContact N-OE2 3.38Å; K5-E76 PolarHBondContact O-N 2.96Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.3Å; E76-R167 IonicContact OE1-CZ 3.89Å; E76-R167 IonicContact OE1-NE 2.63Å; E76-R167 IonicContact OE1-NH2 3.07Å; E76-R167 PolarHBondContact OE1-NH2 3.36Å; E76-R167 IonicContact OE2-NH2 3.47Å; E76-R167 PolarHBondContact OE2-NH2 3.18Å |
| 77 | G | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K5 V7 P110 | K5-G77 PolarHBondContact O-N 3.38Å; V7-G77 PolarHBondContact N-O 3.45Å; G77-P110 VanDerWaalsContact CA-O 3.24Å; G77-P110 WeakPolarHBondContact CA-O 3.49Å |
| 78 | F | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.7 | -170.6 | -58.4 | -94.4 | 0 | 0 | 0 | 112.1 | V7 V9 M72 I100 V109 P110 M111 V112 | V7-F78 HydrophobicContact CB-CD1 3.75Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.22Å; V7-F78 HydrophobicContact CG1-CE1 4.26Å; V7-F78 HydrophobicContact CG2-CD1 4.42Å; V7-F78 HydrophobicContact CG2-CE1 4.03Å; V7-F78 CarbonylContact O-C 3.34Å; V7-F78 WeakPolarHBondContact O-CA 3.35Å; V9-F78 HydrophobicContact CG1-CD1 4.46Å; M72-F78 HydrophobicContact CB-CE1 4.42Å; M72-F78 HydrophobicContact CG-CE1 4.24Å; M72-F78 WeakPolarHBondContact O-CZ 3.47Å; F78-I100 HydrophobicContact CB-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.85Å; F78-I100 HydrophobicContact CD1-CG2 4.31Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.62Å; F78-I100 HydrophobicContact CE1-CD1 4.4Å; F78-I100 HydrophobicContact CE1-CG1 4.1Å; F78-I100 HydrophobicContact CE1-CG2 4.25Å; F78-I100 HydrophobicContact CE2-CG2 3.56Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.11Å; F78-I100 HydrophobicContact CG-CG2 4.03Å; F78-I100 HydrophobicContact CZ-CG2 3.9Å; F78-V109 HydrophobicContact CD2-CG1 3.69Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; F78-P110 PolarHBondContact N-O 3.38Å; F78-M111 HydrophobicContact CB-CG 4.18Å; F78-M111 CarbonylContact O-C 3.6Å; F78-M111 WeakPolarHBondContact O-CA 2.93Å; F78-V112 PolarHBondContact O-N 2.98Å |
| 79 | L | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.5 | 162.8 | -68.2 | -174.9 | 0 | 0 | 0 | 108.4 | V7 V8 V9 V81 V112 V114 F156 L159 | V7-L79 PolarHBondContact O-N 3.15Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.36Å; V9-L79 WeakPolarHBondContact CG2-O 3.42Å; V9-L79 PolarHBondContact N-O 3.07Å; V9-L79 VanDerWaalsContact O-O 3.12Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; L79-V112 HydrophobicContact CD2-CB 3.8Å; L79-V112 HydrophobicContact CD2-CG1 4.3Å; L79-V112 HydrophobicContact CD2-CG2 4.5Å; L79-V114 HydrophobicContact CB-CG2 4.44Å; L79-V114 HydrophobicContact CD2-CG2 3.94Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.12Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 3.99Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.65Å; L79-L159 HydrophobicContact CD2-CB 4Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.44Å; L79-L159 HydrophobicContact CG-CD2 3.78Å |
| 80 | C | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 100.9 | 174.7 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | V9 I93 V112 L113 V114 | V9-C80 HydrophobicContact CG2-CB 4.48Å; C80-I93 HydrophobicContact CB-CD1 4.01Å; C80-I93 HydrophobicContact CB-CG2 4.42Å; C80-V112 PolarHBondContact N-O 2.75Å; C80-L113 HydrophobicContact CB-CD1 4.42Å; C80-V114 PolarHBondContact O-N 3.2Å |
| 81 | V | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.9 | -170.3 | -169.4 | 0 | 0 | 0 | 0 | 111 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.59Å; V9-V81 PolarHBondContact O-N 3.17Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.04Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; K16-V81 HydrophobicContact CG-CB 4.3Å; K16-V81 HydrophobicContact CG-CG2 4.46Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.47Å; V81-V114 HydrophobicContact CG1-CG1 4.36Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.98Å |
| 82 | F | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 167.4 | 164.5 | 72.7 | -82.5 | 0 | 0 | 0 | 109.7 | I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 F141 | F82-I84 HydrophobicContact CE2-CG2 4.17Å; F82-S89 WeakPolarHBondContact CB-O 3.21Å; F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.77Å; F82-F90 HydrophobicContact CD2-CD2 3.77Å; F82-F90 HydrophobicContact CD2-CG 4.21Å; F82-F90 AromaticContact CE1-CD2 3.79Å; F82-F90 HydrophobicContact CE1-CD2 3.79Å; F82-F90 HydrophobicContact CE1-CE2 4.13Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.43Å; F82-F90 HydrophobicContact CE2-CG 4.34Å; F82-F90 HydrophobicContact CG-CB 4.11Å; F82-F90 AromaticContact CG-CD2 3.87Å; F82-F90 HydrophobicContact CG-CD2 3.87Å; F82-F90 AromaticContact CZ-CD2 3.7Å; F82-F90 HydrophobicContact CZ-CD2 3.7Å; F82-F90 HydrophobicContact CZ-CE2 4.06Å; F82-I93 HydrophobicContact CB-CD1 4.05Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CD1 4.39Å; F82-I93 HydrophobicContact CD1-CG1 4.29Å; F82-L113 HydrophobicContact CD1-CD1 3.88Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.97Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.96Å; F82-V114 WeakPolarHBondContact CD1-O 3.28Å; F82-V114 PolarHBondContact N-O 3.01Å; F82-G115 VanDerWaalsContact CE1-CA 3.48Å; F82-G115 VanDerWaalsContact CZ-CA 3.5Å; F82-N116 PolarHBondContact O-N 3.49Å; F82-V125 HydrophobicContact CE2-CB 4.08Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.4Å; F82-V125 HydrophobicContact CZ-CG1 4.34Å; F82-A130 HydrophobicContact CE1-CB 4.31Å; F82-A130 HydrophobicContact CZ-CB 3.75Å; F82-F141 AromaticContact CE1-CE2 3.91Å; F82-F141 HydrophobicContact CE1-CE2 3.91Å; F82-F141 AromaticContact CZ-CE2 3.98Å; F82-F141 HydrophobicContact CZ-CE2 3.98Å; F82-F141 HydrophobicContact CZ-CZ 4.41Å |
| 83 | A | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.32Å; V14-A83 HydrophobicContact CG1-CB 4.42Å; A83-N85 WeakPolarHBondContact CB-OD1 3.33Å; A83-N85 PolarHBondContact O-N 3.42Å; A83-N85 VanDerWaalsContact O-N 3.07Å; A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.42Å; A83-S89 PolarHBondContact N-OG 3.47Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.49Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.23Å |
| 84 | I | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.4 | -176.2 | 62.1 | 141.5 | 0 | 0 | 0 | 114 | F82 N116 K117 C118 R123 T124 V125 | F82-I84 HydrophobicContact CE2-CG2 4.17Å; I84-N116 WeakPolarHBondContact CG1-O 3.48Å; I84-N116 PolarHBondContact N-O 2.98Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 VanDerWaalsContact CG1-O 3.28Å; I84-K117 WeakPolarHBondContact CG1-O 3.2Å; I84-C118 HydrophobicContact CD1-CB 4.45Å; I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; I84-T124 PolarHBondContact O-N 3.17Å; I84-T124 PolarHBondContact O-OG1 2.94Å; I84-V125 PolarHBondContact O-N 3.3Å |
| 85 | N | 97.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 10.7 | 176.5 | 73.3 | -34.7 | 0 | 0 | 0 | 113.3 | A83 L120 S122 T124 | A83-N85 WeakPolarHBondContact CB-OD1 3.33Å; A83-N85 PolarHBondContact O-N 3.42Å; A83-N85 VanDerWaalsContact O-N 3.07Å; N85-L120 HydrophobicContact CB-CD1 4.49Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.49Å; N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å; N85-T124 VanDerWaalsContact C-OG1 3.3Å |
| 86 | N | 97.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 33% | 0.326 | 17% | 0.171 | S | C | . | . | trans | -137.6 | 97 | -179.8 | -178.3 | -15.1 | 0 | 0 | 0 | 110.5 | A83 K88 S89 F90 T124 | A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.42Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.41Å; N86-K88 WeakPolarHBondContact OD1-CB 3.42Å; N86-K88 PolarHBondContact OD1-N 3.23Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; N86-S89 PolarHBondContact O-N 3.24Å; N86-S89 PolarHBondContact O-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.86Å; N86-S89 VanDerWaalsContact OD1-N 3.08Å; N86-F90 PolarHBondContact O-N 3.07Å; N86-T124 PolarHBondContact N-OG1 3.42Å | ||
| 87 | T | 97.6 | Very high | 97 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.8 | -38 | -180 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | S89 F90 E91 T124 | T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.19Å; T87-F90 WeakPolarHBondContact O-CB 3.46Å; T87-F90 PolarHBondContact O-N 3.28Å; T87-E91 PolarHBondContact O-N 3.49Å; T87-E91 VanDerWaalsContact O-N 3.08Å; T87-T124 PolarHBondContact N-OG1 3.43Å; T87-T124 WeakPolarHBondContact OG1-CB 3.45Å; T87-T124 PolarHBondContact OG1-OG1 2.88Å |
| 88 | K | 96.7 | Very high | 96.9 | Very high | 117 Ų | 117 | 37.3 Ų | 37.3 | 51% | 0.509 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.3 | -179.5 | 54.9 | 178.3 | 147.6 | 0 | 111.6 | N86 F90 E91 D92 | N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.41Å; N86-K88 WeakPolarHBondContact OD1-CB 3.42Å; N86-K88 PolarHBondContact OD1-N 3.23Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-F90 PolarHBondContact O-N 3.38Å; K88-E91 PolarHBondContact O-N 2.82Å; K88-D92 WeakPolarHBondContact CE-OD1 3.29Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.18Å; K88-D92 IonicContact NZ-OD2 3.49Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 3.24Å |
| 89 | S | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -27.8 | 176.8 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | F82 A83 N86 T87 | F82-S89 WeakPolarHBondContact CB-O 3.21Å; A83-S89 PolarHBondContact N-OG 3.47Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 PolarHBondContact O-N 3.24Å; N86-S89 PolarHBondContact O-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.86Å; N86-S89 VanDerWaalsContact OD1-N 3.08Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.19Å |
| 90 | F | 98.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.7 | -40.2 | 175.8 | 177.4 | -108.9 | 0 | 0 | 0 | 111.9 | F82 N86 T87 K88 D92 I93 V125 A130 L133 | F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.77Å; F82-F90 HydrophobicContact CD2-CD2 3.77Å; F82-F90 HydrophobicContact CD2-CG 4.21Å; F82-F90 AromaticContact CE1-CD2 3.79Å; F82-F90 HydrophobicContact CE1-CD2 3.79Å; F82-F90 HydrophobicContact CE1-CE2 4.13Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.43Å; F82-F90 HydrophobicContact CE2-CG 4.34Å; F82-F90 HydrophobicContact CG-CB 4.11Å; F82-F90 AromaticContact CG-CD2 3.87Å; F82-F90 HydrophobicContact CG-CD2 3.87Å; F82-F90 AromaticContact CZ-CD2 3.7Å; F82-F90 HydrophobicContact CZ-CD2 3.7Å; F82-F90 HydrophobicContact CZ-CE2 4.06Å; N86-F90 PolarHBondContact O-N 3.07Å; T87-F90 WeakPolarHBondContact O-CB 3.46Å; T87-F90 PolarHBondContact O-N 3.28Å; K88-F90 PolarHBondContact O-N 3.38Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.83Å; F90-I93 VanDerWaalsContact O-CB 3.29Å; F90-I93 WeakPolarHBondContact O-CB 3.2Å; F90-I93 WeakPolarHBondContact O-CG1 3.25Å; F90-I93 PolarHBondContact O-N 3.44Å; F90-V125 HydrophobicContact CB-CG1 4.32Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.42Å; F90-V125 HydrophobicContact CD2-CG1 3.89Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.11Å; F90-V125 HydrophobicContact CG-CG1 3.77Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; F90-A130 HydrophobicContact CE2-CB 3.88Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.25Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.5Å; F90-L133 VanDerWaalsContact CE2-CD2 3.5Å; F90-L133 HydrophobicContact CZ-CB 3.92Å; F90-L133 HydrophobicContact CZ-CD2 3.47Å; F90-L133 VanDerWaalsContact CZ-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CG 4.29Å |
| 91 | E | 96.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 38.3 Ų | 38.3 | 54% | 0.542 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 173.8 | -66.4 | 169.6 | 179.8 | 0 | 0 | 111.7 | T87 K88 I93 H94 | T87-E91 PolarHBondContact O-N 3.49Å; T87-E91 VanDerWaalsContact O-N 3.08Å; K88-E91 PolarHBondContact O-N 2.82Å; E91-I93 PolarHBondContact O-N 2.77Å; E91-H94 PolarHBondContact O-N 2.89Å |
| 92 | D | 95.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16 | -178.7 | -65.2 | -23.2 | 0 | 0 | 0 | 113.4 | K88 F90 H94 H95 Y96 | K88-D92 WeakPolarHBondContact CE-OD1 3.29Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.18Å; K88-D92 IonicContact NZ-OD2 3.49Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 3.24Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.83Å; D92-H94 PolarHBondContact O-N 2.77Å; D92-H95 WeakPolarHBondContact O-CB 3.39Å; D92-H95 PolarHBondContact O-N 3.03Å; D92-Y96 HydrophobicContact CB-CD2 4.47Å; D92-Y96 HydrophobicContact CB-CE2 4.09Å; D92-Y96 WeakPolarHBondContact O-CD2 3.12Å; D92-Y96 PolarHBondContact O-N 3.24Å |
| 93 | I | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -37.3 | 176 | -66.7 | -65.1 | 0 | 0 | 0 | 111.7 | C80 F82 F90 E91 H95 Y96 R97 L113 L133 Y137 | C80-I93 HydrophobicContact CB-CD1 4.01Å; C80-I93 HydrophobicContact CB-CG2 4.42Å; F82-I93 HydrophobicContact CB-CD1 4.05Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CD1 4.39Å; F82-I93 HydrophobicContact CD1-CG1 4.29Å; F90-I93 VanDerWaalsContact O-CB 3.29Å; F90-I93 WeakPolarHBondContact O-CB 3.2Å; F90-I93 WeakPolarHBondContact O-CG1 3.25Å; F90-I93 PolarHBondContact O-N 3.44Å; E91-I93 PolarHBondContact O-N 2.77Å; I93-H95 VanDerWaalsContact C-N 3.29Å; I93-H95 PolarHBondContact O-N 3.13Å; I93-Y96 PolarHBondContact O-N 3.16Å; I93-R97 WeakPolarHBondContact O-CB 3.33Å; I93-R97 PolarHBondContact O-N 2.83Å; I93-L113 HydrophobicContact CB-CD1 4.49Å; I93-L113 HydrophobicContact CD1-CD1 4.05Å; I93-L113 HydrophobicContact CG1-CD1 4.05Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; I93-L133 HydrophobicContact CG2-CD2 4.39Å; I93-Y137 HydrophobicContact CG2-CE2 4.26Å |
| 94 | H | 96.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.5 | -174.8 | 68.8 | 0 | 0 | 0 | 111.3 | E91 D92 R97 E98 Y137 | E91-H94 PolarHBondContact O-N 2.89Å; D92-H94 PolarHBondContact O-N 2.77Å; H94-R97 PolarHBondContact O-N 3.49Å; H94-E98 IonicContact CE1-OE1 3.51Å; H94-E98 WeakPolarHBondContact O-CG 3.24Å; H94-E98 PolarHBondContact O-N 3.37Å; H94-Y137 AromaticContact ND1-CZ 3.97Å; H94-Y137 PolarHBondContact ND1-OH 2.95Å |
| 95 | H | 93.5 | Very high | 95.4 | Very high | 95 Ų | 95 | 57 Ų | 57 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 178.9 | -175.9 | 65.5 | 0 | 0 | 0 | 112 | D92 I93 R97 E98 Q99 | D92-H95 WeakPolarHBondContact O-CB 3.39Å; D92-H95 PolarHBondContact O-N 3.03Å; I93-H95 VanDerWaalsContact C-N 3.29Å; I93-H95 PolarHBondContact O-N 3.13Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.11Å; H95-E98 PolarHBondContact O-N 3.08Å; H95-Q99 WeakPolarHBondContact O-CB 3.33Å; H95-Q99 PolarHBondContact O-N 2.8Å |
| 96 | Y | 93.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.9 | -70.4 | -69.5 | 0 | 0 | 0 | 112 | V9 G10 A11 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 4.15Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.44Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 3.05Å; A11-Y96 WeakPolarHBondContact CA-OH 3.32Å; A11-Y96 PolarHBondContact N-OH 2.9Å; D92-Y96 HydrophobicContact CB-CD2 4.47Å; D92-Y96 HydrophobicContact CB-CE2 4.09Å; D92-Y96 WeakPolarHBondContact O-CD2 3.12Å; D92-Y96 PolarHBondContact O-N 3.24Å; I93-Y96 PolarHBondContact O-N 3.16Å; Y96-Q99 PolarHBondContact O-N 2.92Å; Y96-I100 WeakPolarHBondContact O-CD1 3.07Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.44Å; Y96-I100 PolarHBondContact O-N 2.87Å |
| 97 | R | 95.4 | Very high | 95 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 178 | 178 | -178.6 | 178.5 | -90.8 | 5.7 | 111.8 | I93 H94 H95 Q99 I100 K101 M111 | I93-R97 WeakPolarHBondContact O-CB 3.33Å; I93-R97 PolarHBondContact O-N 2.83Å; H94-R97 PolarHBondContact O-N 3.49Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.11Å; R97-Q99 PolarHBondContact O-N 3.36Å; R97-I100 PolarHBondContact O-N 3.43Å; R97-K101 HydrophobicContact CG-CD 3.94Å; R97-K101 WeakPolarHBondContact O-CG 3.41Å; R97-K101 PolarHBondContact O-N 2.92Å; R97-M111 HydrophobicContact CG-CE 4.23Å; R97-M111 HydrophobicContact CG-SD 4.1Å |
| 98 | E | 95.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | -179.2 | -69.4 | -48.5 | 118.9 | 0 | 0 | 111.6 | H94 H95 K101 R102 | H94-E98 IonicContact CE1-OE1 3.51Å; H94-E98 WeakPolarHBondContact O-CG 3.24Å; H94-E98 PolarHBondContact O-N 3.37Å; H95-E98 PolarHBondContact O-N 3.08Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.49Å; E98-K101 IonicContact OE2-NZ 2.85Å; E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 PolarHBondContact O-N 3.33Å |
| 99 | Q | 91.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.7 | -167.4 | 174.3 | 4.5 | 0 | 0 | 112.3 | D69 M72 H95 Y96 R97 K101 R102 V103 | D69-Q99 PolarHBondContact OD1-NE2 3Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 3.91Å; M72-Q99 HydrophobicContact SD-CB 4.27Å; M72-Q99 HydrophobicContact SD-CG 3.61Å; H95-Q99 WeakPolarHBondContact O-CB 3.33Å; H95-Q99 PolarHBondContact O-N 2.8Å; Y96-Q99 PolarHBondContact O-N 2.92Å; R97-Q99 PolarHBondContact O-N 3.36Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.97Å; Q99-R102 PolarHBondContact O-N 2.98Å; Q99-V103 HydrophobicContact CG-CG2 4.49Å; Q99-V103 WeakPolarHBondContact O-CG2 3.29Å; Q99-V103 PolarHBondContact O-N 3.15Å |
| 100 | I | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -49 | 177.2 | -68.4 | 159.6 | 0 | 0 | 0 | 110.3 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.06Å; M72-I100 HydrophobicContact CE-CG1 4.24Å; M72-I100 HydrophobicContact CG-CG1 4.43Å; M72-I100 HydrophobicContact SD-CG1 4.27Å; F78-I100 HydrophobicContact CB-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.85Å; F78-I100 HydrophobicContact CD1-CG2 4.31Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.62Å; F78-I100 HydrophobicContact CE1-CD1 4.4Å; F78-I100 HydrophobicContact CE1-CG1 4.1Å; F78-I100 HydrophobicContact CE1-CG2 4.25Å; F78-I100 HydrophobicContact CE2-CG2 3.56Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.11Å; F78-I100 HydrophobicContact CG-CG2 4.03Å; F78-I100 HydrophobicContact CZ-CG2 3.9Å; Y96-I100 WeakPolarHBondContact O-CD1 3.07Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.44Å; Y96-I100 PolarHBondContact O-N 2.87Å; R97-I100 PolarHBondContact O-N 3.43Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.03Å; I100-V103 PolarHBondContact O-N 3.23Å; I100-K104 HydrophobicContact CG2-CG 4.14Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.01Å; I100-K104 WeakPolarHBondContact O-CG 2.93Å; I100-K104 PolarHBondContact O-N 2.89Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.79Å; I100-M111 HydrophobicContact CB-CE 3.87Å; I100-M111 HydrophobicContact CD1-CE 4.3Å; I100-M111 HydrophobicContact CD1-SD 4.18Å; I100-M111 HydrophobicContact CG2-CE 3.5Å; I100-M111 VanDerWaalsContact CG2-CE 3.5Å |
| 101 | K | 95.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | -179.7 | -68.7 | 171.8 | 71.1 | -127.5 | 0 | 111.9 | R97 E98 Q99 K104 D105 S106 E107 M111 | R97-K101 HydrophobicContact CG-CD 3.94Å; R97-K101 WeakPolarHBondContact O-CG 3.41Å; R97-K101 PolarHBondContact O-N 2.92Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.49Å; E98-K101 IonicContact OE2-NZ 2.85Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.97Å; K101-K104 PolarHBondContact O-N 2.95Å; K101-D105 WeakPolarHBondContact O-CA 3.49Å; K101-D105 PolarHBondContact O-N 3.21Å; K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.47Å; K101-S106 PolarHBondContact O-N 3.41Å; K101-E107 WeakPolarHBondContact CE-OE1 3.36Å; K101-E107 WeakPolarHBondContact CE-OE2 3.39Å; K101-E107 IonicContact NZ-OE1 2.83Å; K101-E107 PolarHBondContact NZ-OE1 2.97Å; K101-E107 IonicContact NZ-OE2 3.57Å; K101-E107 PolarHBondContact NZ-OE2 2.93Å; K101-M111 HydrophobicContact CG-CE 4.09Å |
| 102 | R | 94.5 | Very high | 95 | Very high | 164 Ų | 164 | 49.8 Ų | 49.8 | 62% | 0.619 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.9 | -46.1 | 176.5 | -173.8 | -174.3 | 72.4 | -158.1 | 3 | 112.1 | E98 Q99 I100 D105 | E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 PolarHBondContact O-N 3.33Å; Q99-R102 PolarHBondContact O-N 2.98Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.03Å; R102-D105 PolarHBondContact O-N 2.58Å |
| 103 | V | 93.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.5 | -34.7 | -179.1 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 4.25Å; D69-V103 WeakPolarHBondContact O-CG1 3.42Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.32Å; M72-V103 HydrophobicContact CB-CB 3.93Å; M72-V103 HydrophobicContact CB-CG1 3.67Å; M72-V103 HydrophobicContact CB-CG2 4.24Å; M72-V103 HydrophobicContact SD-CG2 4.09Å; R73-V103 HydrophobicContact CB-CG1 4.09Å; Q99-V103 HydrophobicContact CG-CG2 4.49Å; Q99-V103 WeakPolarHBondContact O-CG2 3.29Å; Q99-V103 PolarHBondContact O-N 3.15Å; I100-V103 PolarHBondContact O-N 3.23Å; V103-D105 VanDerWaalsContact C-N 3.31Å |
| 104 | K | 93.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.3 | -15.4 | 176.2 | -72.7 | -55 | -160.6 | -170.5 | 0 | 114.3 | M72 R73 G75 I100 K101 S106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.44Å; M72-K104 WeakPolarHBondContact O-CE 3.45Å; M72-K104 PolarHBondContact O-NZ 3.08Å; R73-K104 PolarHBondContact O-NZ 3.48Å; G75-K104 WeakPolarHBondContact O-CE 3.26Å; G75-K104 PolarHBondContact O-NZ 3.06Å; I100-K104 HydrophobicContact CG2-CG 4.14Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.01Å; I100-K104 WeakPolarHBondContact O-CG 2.93Å; I100-K104 PolarHBondContact O-N 2.89Å; K101-K104 PolarHBondContact O-N 2.95Å; K104-S106 PolarHBondContact O-N 3.32Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.11Å; K104-V109 HydrophobicContact CG-CG2 3.82Å |
| 105 | D | 94.6 | Very high | 95.4 | Very high | 156 Ų | 156 | 43.2 Ų | 43.2 | 83% | 0.834 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 45.7 | -170.4 | -165.8 | 31.8 | 0 | 0 | 0 | 111.1 | K101 R102 V103 | K101-D105 WeakPolarHBondContact O-CA 3.49Å; K101-D105 PolarHBondContact O-N 3.21Å; R102-D105 PolarHBondContact O-N 2.58Å; V103-D105 VanDerWaalsContact C-N 3.31Å |
| 106 | S | 93.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | trans | -154.2 | 137.4 | -174.2 | -162.3 | 0 | 0 | 0 | 0 | 112.5 | K101 K104 V109 | K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.47Å; K101-S106 PolarHBondContact O-N 3.41Å; K104-S106 PolarHBondContact O-N 3.32Å; S106-V109 WeakPolarHBondContact O-CG2 3.46Å | ||
| 107 | E | 92.4 | Very high | 95.8 | Very high | 139 Ų | 139 | 41 Ų | 41 | 65% | 0.65 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -80.5 | -24.5 | 172.8 | -67 | -62.9 | 121 | 0 | 0 | 112.8 | K101 | K101-E107 WeakPolarHBondContact CE-OE1 3.36Å; K101-E107 WeakPolarHBondContact CE-OE2 3.39Å; K101-E107 IonicContact NZ-OE1 2.83Å; K101-E107 PolarHBondContact NZ-OE1 2.97Å; K101-E107 IonicContact NZ-OE2 3.57Å; K101-E107 PolarHBondContact NZ-OE2 2.93Å |
| 108 | D | 93.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | trans | -107.6 | 77.6 | -174.5 | -172.3 | 21.1 | 0 | 0 | 0 | 108.3 | Y166 | D108-Y166 HydrophobicContact CB-CE2 4.21Å; D108-Y166 WeakPolarHBondContact O-CE2 3.44Å; D108-Y166 PolarHBondContact O-OH 2.93Å | ||
| 109 | V | 97.2 | Very high | 96 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | trans | -111.6 | 130.6 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | F78 I100 K104 S106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.69Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.79Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.11Å; K104-V109 HydrophobicContact CG-CG2 3.82Å; S106-V109 WeakPolarHBondContact O-CG2 3.46Å; V109-M111 HydrophobicContact CB-CE 3.7Å; V109-M111 HydrophobicContact CG1-CE 4Å; V109-M111 HydrophobicContact CG1-CG 4.49Å; V109-M111 HydrophobicContact CG2-CE 4.48Å; V109-M111 WeakPolarHBondContact O-CG 3.15Å; V109-M111 PolarHBondContact O-N 2.9Å; V109-M111 VanDerWaalsContact O-N 3.15Å | ||
| 110 | P | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -58.6 | 118 | 176.9 | -26 | 35.4 | 0 | 0 | 0 | 111.7 | G77 F78 L159 E162 I163 Y166 | G77-P110 VanDerWaalsContact CA-O 3.24Å; G77-P110 WeakPolarHBondContact CA-O 3.49Å; F78-P110 PolarHBondContact N-O 3.38Å; P110-L159 HydrophobicContact CB-CD1 4.41Å; P110-E162 HydrophobicContact CB-CB 4.06Å; P110-I163 HydrophobicContact CB-CG1 3.72Å; P110-I163 HydrophobicContact CG-CG1 4.07Å; P110-Y166 HydrophobicContact CG-CD1 4.03Å; P110-Y166 HydrophobicContact CG-CD2 4.48Å; P110-Y166 HydrophobicContact CG-CG 3.81Å | ||
| 111 | M | 98.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.3 | 176.7 | -52.9 | -173.2 | -159.9 | 0 | 0 | 111.1 | F78 R97 I100 K101 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.18Å; F78-M111 CarbonylContact O-C 3.6Å; F78-M111 WeakPolarHBondContact O-CA 2.93Å; R97-M111 HydrophobicContact CG-CE 4.23Å; R97-M111 HydrophobicContact CG-SD 4.1Å; I100-M111 HydrophobicContact CB-CE 3.87Å; I100-M111 HydrophobicContact CD1-CE 4.3Å; I100-M111 HydrophobicContact CD1-SD 4.18Å; I100-M111 HydrophobicContact CG2-CE 3.5Å; I100-M111 VanDerWaalsContact CG2-CE 3.5Å; K101-M111 HydrophobicContact CG-CE 4.09Å; V109-M111 HydrophobicContact CB-CE 3.7Å; V109-M111 HydrophobicContact CG1-CE 4Å; V109-M111 HydrophobicContact CG1-CG 4.49Å; V109-M111 HydrophobicContact CG2-CE 4.48Å; V109-M111 WeakPolarHBondContact O-CG 3.15Å; V109-M111 PolarHBondContact O-N 2.9Å; V109-M111 VanDerWaalsContact O-N 3.15Å; M111-I139 HydrophobicContact CB-CD1 4.17Å; M111-I139 HydrophobicContact CB-CG2 4.21Å; M111-P140 WeakPolarHBondContact O-CD 3.27Å |
| 112 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.7 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | F78 L79 C80 V114 P140 I142 T158 L159 E162 | F78-V112 PolarHBondContact O-N 2.98Å; L79-V112 HydrophobicContact CD2-CB 3.8Å; L79-V112 HydrophobicContact CD2-CG1 4.3Å; L79-V112 HydrophobicContact CD2-CG2 4.5Å; C80-V112 PolarHBondContact N-O 2.75Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.28Å; V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.39Å; V112-T158 HydrophobicContact CG2-CG2 3.97Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.11Å; V112-E162 HydrophobicContact CG2-CG 4.33Å |
| 113 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.3 | 171.5 | -175.8 | 63 | 0 | 0 | 0 | 109.6 | C80 F82 I93 A130 L133 A134 I139 P140 F141 I142 | C80-L113 HydrophobicContact CB-CD1 4.42Å; F82-L113 HydrophobicContact CD1-CD1 3.88Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.97Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.96Å; I93-L113 HydrophobicContact CB-CD1 4.49Å; I93-L113 HydrophobicContact CD1-CD1 4.05Å; I93-L113 HydrophobicContact CG1-CD1 4.05Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; L113-A130 WeakPolarHBondContact CD2-O 3.26Å; L113-L133 HydrophobicContact CD2-CD2 4.35Å; L113-A134 HydrophobicContact CB-CB 4.31Å; L113-A134 HydrophobicContact CD2-CB 3.92Å; L113-I139 HydrophobicContact CB-CD1 4.07Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; L113-P140 PolarHBondContact N-O 2.87Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.89Å; L113-F141 HydrophobicContact CD2-CE2 4.47Å; L113-F141 HydrophobicContact CG-CD2 3.83Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.44Å; L113-F141 WeakPolarHBondContact O-CD2 3.18Å; L113-I142 PolarHBondContact O-N 3.36Å |
| 114 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.6 | -177.3 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L19 L79 C80 V81 F82 V112 I142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.06Å; L79-V114 HydrophobicContact CB-CG2 4.44Å; L79-V114 HydrophobicContact CD2-CG2 3.94Å; C80-V114 PolarHBondContact O-N 3.2Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.47Å; V81-V114 HydrophobicContact CG1-CG1 4.36Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; F82-V114 WeakPolarHBondContact CD1-O 3.28Å; F82-V114 PolarHBondContact N-O 3.01Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V114-I142 WeakPolarHBondContact CA-O 3.02Å; V114-T144 HydrophobicContact CG1-CG2 3.81Å; V114-T144 VanDerWaalsContact CG1-OG1 3.25Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.46Å; V114-A155 HydrophobicContact CG2-CB 4.1Å |
| 115 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 95.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F82 I142 E143 T144 | F82-G115 VanDerWaalsContact CE1-CA 3.48Å; F82-G115 VanDerWaalsContact CZ-CA 3.5Å; G115-I142 PolarHBondContact N-O 3Å; G115-E143 CarbonylContact O-C 3.59Å; G115-E143 VanDerWaalsContact O-CA 3.3Å; G115-E143 WeakPolarHBondContact O-CA 3.27Å; G115-T144 PolarHBondContact O-N 3.33Å |
| 116 | N | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 167.7 | -177 | -167.4 | 26.8 | 0 | 0 | 0 | 112.3 | V14 L19 V81 F82 A83 I84 C118 T144 A146 | V14-N116 PolarHBondContact O-ND2 2.95Å; L19-N116 HydrophobicContact CD1-CB 4.29Å; V81-N116 HydrophobicContact CG1-CB 3.98Å; F82-N116 PolarHBondContact O-N 3.49Å; A83-N116 WeakPolarHBondContact CA-O 3.49Å; I84-N116 WeakPolarHBondContact CG1-O 3.48Å; I84-N116 PolarHBondContact N-O 2.98Å; N116-C118 VanDerWaalsContact C-N 3.35Å; N116-T144 CarbonylContact C-O 3.53Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.14Å; N116-T144 PolarHBondContact OD1-O 2.99Å; N116-T144 PolarHBondContact OD1-OG1 2.86Å; N116-A146 PolarHBondContact OD1-N 3.25Å |
| 117 | K | 97.5 | Very high | 96.8 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | trans | 66 | 32.9 | -179.9 | -44.1 | -169.7 | -171.6 | -175.9 | 0 | 113.3 | G13 A83 I84 D119 L120 T144 | G13-K117 WeakPolarHBondContact O-CE 3.47Å; G13-K117 PolarHBondContact O-NZ 2.96Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.23Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 VanDerWaalsContact CG1-O 3.28Å; I84-K117 WeakPolarHBondContact CG1-O 3.2Å; K117-D119 WeakPolarHBondContact CA-OD1 3.36Å; K117-D119 PolarHBondContact O-N 2.63Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.17Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 PolarHBondContact O-N 2.94Å; K117-T144 PolarHBondContact N-O 3.33Å | ||
| 118 | C | 97.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.8 | 179.4 | 70.5 | 0 | 0 | 0 | 0 | 114.2 | I84 N116 L120 E143 T144 | I84-C118 HydrophobicContact CD1-CB 4.45Å; N116-C118 VanDerWaalsContact C-N 3.35Å; C118-L120 VanDerWaalsContact C-N 3.31Å; C118-E143 HydrophobicContact CB-CB 4.19Å; C118-T144 PolarHBondContact N-O 2.86Å; C118-T144 VanDerWaalsContact N-O 3.09Å; C118-T144 PolarHBondContact SG-O 2.98Å |
| 119 | D | 96.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.3 | 171.1 | 58.3 | -74.9 | 0 | 0 | 0 | 113.9 | K117 S145 T148 | K117-D119 WeakPolarHBondContact CA-OD1 3.36Å; K117-D119 PolarHBondContact O-N 2.63Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-S145 WeakPolarHBondContact OD1-CB 3.29Å; D119-S145 PolarHBondContact OD1-OG 3.45Å; D119-T148 HydrophobicContact CB-CG2 4.08Å |
| 120 | L | 94.7 | Very high | 97.3 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 29% | 0.293 | 24% | 0.239 | S | C | . | . | trans | -81.2 | 135.9 | -178.6 | -63.8 | -179.4 | 0 | 0 | 0 | 111.6 | N85 K117 C118 S122 | N85-L120 HydrophobicContact CB-CD1 4.49Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.49Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.17Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 PolarHBondContact O-N 2.94Å; C118-L120 VanDerWaalsContact C-N 3.31Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.86Å | ||
| 121 | P | 92.9 | Very high | 97.3 | Very high | 129 Ų | 129 | 48.7 Ų | 48.7 | 84% | 0.838 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -73.4 | -21.3 | 178.1 | 30.1 | -35.3 | 0 | 0 | 0 | 112.9 | R123 | P121-R123 PolarHBondContact O-N 2.74Š|
| 122 | S | 93.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | trans | -80.4 | 54.6 | -176.4 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | N85 L120 | N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.86Å | ||
| 123 | R | 97.3 | Very high | 97.3 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | trans | -69.5 | 130.9 | 178.5 | 179.9 | 178.7 | -74.8 | -99.1 | 11.5 | 110.6 | I84 P121 V125 T127 E143 | I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; P121-R123 PolarHBondContact O-N 2.74Å; R123-V125 VanDerWaalsContact CD-O 3.29Å; R123-V125 WeakPolarHBondContact CD-O 3.46Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 3.4Å; R123-T127 PolarHBondContact NH1-OG1 2.78Å; R123-T127 PolarHBondContact NH2-OG1 3.37Å; R123-E143 IonicContact CZ-OE1 3.86Å; R123-E143 VanDerWaalsContact CZ-OE1 3.27Å; R123-E143 IonicContact NH1-OE1 3.62Å; R123-E143 PolarHBondContact NH1-OE1 2.84Å; R123-E143 VanDerWaalsContact NH2-CD 3.25Å; R123-E143 IonicContact NH2-OE1 3.47Å; R123-E143 PolarHBondContact NH2-OE1 3.12Å; R123-E143 IonicContact NH2-OE2 2.69Å; R123-E143 PolarHBondContact NH2-OE2 3.21Å | ||
| 124 | T | 97.3 | Very high | 97.3 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | trans | -118.7 | -12.6 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | I84 N85 N86 T87 | I84-T124 PolarHBondContact O-N 3.17Å; I84-T124 PolarHBondContact O-OG1 2.94Å; N85-T124 VanDerWaalsContact C-OG1 3.3Å; N86-T124 PolarHBondContact N-OG1 3.42Å; T87-T124 PolarHBondContact N-OG1 3.43Å; T87-T124 WeakPolarHBondContact OG1-CB 3.45Å; T87-T124 PolarHBondContact OG1-OG1 2.88Å | ||
| 125 | V | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -116.4 | 117 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 109 | F82 I84 F90 R123 | F82-V125 HydrophobicContact CE2-CB 4.08Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.4Å; F82-V125 HydrophobicContact CZ-CG1 4.34Å; I84-V125 PolarHBondContact O-N 3.3Å; F90-V125 HydrophobicContact CB-CG1 4.32Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.42Å; F90-V125 HydrophobicContact CD2-CG1 3.89Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.11Å; F90-V125 HydrophobicContact CG-CG1 3.77Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; R123-V125 VanDerWaalsContact CD-O 3.29Å; R123-V125 WeakPolarHBondContact CD-O 3.46Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 3.4Å |
| 126 | D | 97.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -71.8 | 143.3 | -179.2 | -70.6 | -28 | 0 | 0 | 0 | 111.3 | K128 Q129 A130 | D126-K128 PolarHBondContact O-N 3Å; D126-K128 VanDerWaalsContact O-N 3.17Å; D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.44Å; D126-Q129 PolarHBondContact O-N 3.03Å; D126-A130 PolarHBondContact O-N 2.95Å; D126-A130 VanDerWaalsContact O-N 3.15Å | ||
| 127 | T | 97.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.1 | -38.3 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.5 | R123 A130 Q131 F141 E143 | R123-T127 PolarHBondContact NH1-OG1 2.78Å; R123-T127 PolarHBondContact NH2-OG1 3.37Å; T127-A130 PolarHBondContact O-N 3.45Å; T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.23Å; T127-Q131 WeakPolarHBondContact O-CG 3.21Å; T127-Q131 PolarHBondContact O-N 3.15Å; T127-F141 HydrophobicContact CG2-CE1 4.13Å; T127-E143 PolarHBondContact OG1-OE1 3.21Å |
| 128 | K | 97.8 | Very high | 97.2 | Very high | 145 Ų | 145 | 68.2 Ų | 68.2 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 177.6 | -172.7 | -178.9 | 177.6 | -173.7 | 0 | 112.1 | D126 A130 Q131 D132 | D126-K128 PolarHBondContact O-N 3Å; D126-K128 VanDerWaalsContact O-N 3.17Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.49Å; K128-Q131 PolarHBondContact O-N 2.65Å; K128-D132 WeakPolarHBondContact O-CB 3.31Å; K128-D132 VanDerWaalsContact O-CG 3.31Å; K128-D132 PolarHBondContact O-N 3.39Å |
| 129 | Q | 97.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.3 | -67.7 | 173.2 | -50.7 | 0 | 0 | 111.2 | D126 D132 L133 | D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.44Å; D126-Q129 PolarHBondContact O-N 3.03Å; Q129-D132 PolarHBondContact O-N 3.19Å; Q129-L133 PolarHBondContact O-N 3.09Å |
| 130 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F82 F90 L113 D126 T127 K128 L133 A134 F141 | F82-A130 HydrophobicContact CE1-CB 4.31Å; F82-A130 HydrophobicContact CZ-CB 3.75Å; F90-A130 HydrophobicContact CE2-CB 3.88Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; L113-A130 WeakPolarHBondContact CD2-O 3.26Å; D126-A130 PolarHBondContact O-N 2.95Å; D126-A130 VanDerWaalsContact O-N 3.15Å; T127-A130 PolarHBondContact O-N 3.45Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.49Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.09Å; A130-F141 HydrophobicContact CB-CD1 4.44Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.86Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.4Å |
| 131 | Q | 98.4 | Very high | 97.5 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 173.8 | -76.3 | 172.6 | -6.7 | 0 | 0 | 112.4 | T127 K128 L133 A134 R135 F141 | T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.23Å; T127-Q131 WeakPolarHBondContact O-CG 3.21Å; T127-Q131 PolarHBondContact O-N 3.15Å; K128-Q131 PolarHBondContact O-N 2.65Å; Q131-L133 VanDerWaalsContact C-N 3.33Å; Q131-A134 PolarHBondContact O-N 3.45Å; Q131-R135 WeakPolarHBondContact O-CB 3.34Å; Q131-R135 PolarHBondContact O-N 3.21Å; Q131-F141 HydrophobicContact CG-CD1 3.56Å; Q131-F141 HydrophobicContact CG-CE1 3.96Å |
| 132 | D | 98.6 | Very high | 97.8 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.4 | -71.9 | -25.1 | 0 | 0 | 0 | 110.6 | K128 Q129 R135 S136 | K128-D132 WeakPolarHBondContact O-CB 3.31Å; K128-D132 VanDerWaalsContact O-CG 3.31Å; K128-D132 PolarHBondContact O-N 3.39Å; Q129-D132 PolarHBondContact O-N 3.19Å; D132-R135 PolarHBondContact O-N 2.79Å; D132-R135 IonicContact OD1-NH1 3.58Å; D132-S136 PolarHBondContact O-N 2.79Å |
| 133 | L | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 173.5 | -173.8 | 67.3 | 0 | 0 | 0 | 111.8 | F90 I93 L113 Q129 A130 Q131 R135 S136 Y137 | F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.25Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.5Å; F90-L133 VanDerWaalsContact CE2-CD2 3.5Å; F90-L133 HydrophobicContact CZ-CB 3.92Å; F90-L133 HydrophobicContact CZ-CD2 3.47Å; F90-L133 VanDerWaalsContact CZ-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CG 4.29Å; I93-L133 HydrophobicContact CG2-CD2 4.39Å; L113-L133 HydrophobicContact CD2-CD2 4.35Å; Q129-L133 PolarHBondContact O-N 3.09Å; A130-L133 PolarHBondContact O-N 2.87Å; Q131-L133 VanDerWaalsContact C-N 3.33Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.95Å; L133-S136 WeakPolarHBondContact O-CB 3.32Å; L133-S136 PolarHBondContact O-N 3.04Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 3.47Å; L133-Y137 HydrophobicContact CD1-CD2 4.48Å; L133-Y137 HydrophobicContact CD1-CE1 4.22Å; L133-Y137 HydrophobicContact CD1-CE2 3.75Å; L133-Y137 HydrophobicContact CD2-CE2 4.04Å; L133-Y137 HydrophobicContact CG-CD2 4.18Å; L133-Y137 HydrophobicContact CG-CE2 3.68Å; L133-Y137 PolarHBondContact O-N 2.9Å; L133-Y137 VanDerWaalsContact O-N 3.09Å |
| 134 | A | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 A130 Q131 S136 Y137 G138 I139 F141 | L113-A134 HydrophobicContact CB-CB 4.31Å; L113-A134 HydrophobicContact CD2-CB 3.92Å; A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.09Å; Q131-A134 PolarHBondContact O-N 3.45Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 3.1Å; A134-Y137 CarbonylContact O-C 3.5Å; A134-Y137 PolarHBondContact O-N 3.09Å; A134-G138 PolarHBondContact O-N 2.82Å; A134-I139 HydrophobicContact CB-CG1 4.34Å; A134-I139 WeakPolarHBondContact CB-O 3.41Å; A134-I139 PolarHBondContact O-N 2.78Å; A134-F141 HydrophobicContact CB-CB 3.6Å |
| 135 | R | 98.3 | Very high | 98.1 | Very high | 181 Ų | 181 | 51.8 Ų | 51.8 | 68% | 0.683 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 174.1 | -171.4 | -176.1 | -60.5 | 149.8 | 7.2 | 111.6 | Q131 D132 L133 Y137 G138 | Q131-R135 WeakPolarHBondContact O-CB 3.34Å; Q131-R135 PolarHBondContact O-N 3.21Å; D132-R135 PolarHBondContact O-N 2.79Å; D132-R135 IonicContact OD1-NH1 3.58Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.95Å; R135-Y137 PolarHBondContact O-N 2.66Å; R135-G138 PolarHBondContact O-N 2.93Å; R135-G138 VanDerWaalsContact O-N 3.08Å |
| 136 | S | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63 | -30 | 177.5 | 80.4 | 0 | 0 | 0 | 0 | 112.7 | D132 L133 A134 | D132-S136 PolarHBondContact O-N 2.79Å; L133-S136 WeakPolarHBondContact O-CB 3.32Å; L133-S136 PolarHBondContact O-N 3.04Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 3.47Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 3.1Å |
| 137 | Y | 97.7 | Very high | 98 | Very high | 38 Ų | 38 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -87.1 | -11.8 | 174.7 | -64.9 | -21.1 | 0 | 0 | 0 | 114.1 | I93 H94 L133 A134 R135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.26Å; H94-Y137 AromaticContact ND1-CZ 3.97Å; H94-Y137 PolarHBondContact ND1-OH 2.95Å; L133-Y137 HydrophobicContact CD1-CD2 4.48Å; L133-Y137 HydrophobicContact CD1-CE1 4.22Å; L133-Y137 HydrophobicContact CD1-CE2 3.75Å; L133-Y137 HydrophobicContact CD2-CE2 4.04Å; L133-Y137 HydrophobicContact CG-CD2 4.18Å; L133-Y137 HydrophobicContact CG-CE2 3.68Å; L133-Y137 PolarHBondContact O-N 2.9Å; L133-Y137 VanDerWaalsContact O-N 3.09Å; A134-Y137 CarbonylContact O-C 3.5Å; A134-Y137 PolarHBondContact O-N 3.09Å; R135-Y137 PolarHBondContact O-N 2.66Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å |
| 138 | G | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 28.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A134 R135 | A134-G138 PolarHBondContact O-N 2.82Å; R135-G138 PolarHBondContact O-N 2.93Å; R135-G138 VanDerWaalsContact O-N 3.08Å |
| 139 | I | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | trans | -120.7 | 156.1 | -176.8 | 68.5 | -179.9 | 0 | 0 | 0 | 111.7 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.17Å; M111-I139 HydrophobicContact CB-CG2 4.21Å; L113-I139 HydrophobicContact CB-CD1 4.07Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; A134-I139 HydrophobicContact CB-CG1 4.34Å; A134-I139 WeakPolarHBondContact CB-O 3.41Å; A134-I139 PolarHBondContact O-N 2.78Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å | ||
| 140 | P | 98.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -65.1 | 150.9 | 174.1 | -21.4 | 33.9 | 0 | 0 | 0 | 112.8 | M111 V112 L113 T158 E162 | M111-P140 WeakPolarHBondContact O-CD 3.27Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.28Å; L113-P140 PolarHBondContact N-O 2.87Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.82Å; P140-E162 HydrophobicContact CG-CG 3.95Å | ||
| 141 | F | 98.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 58 Ų | 58 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.4 | 171.6 | 171.4 | -119.5 | 0 | 0 | 0 | 111.4 | F82 L113 T127 A130 Q131 A134 E143 | F82-F141 AromaticContact CE1-CE2 3.91Å; F82-F141 HydrophobicContact CE1-CE2 3.91Å; F82-F141 AromaticContact CZ-CE2 3.98Å; F82-F141 HydrophobicContact CZ-CE2 3.98Å; F82-F141 HydrophobicContact CZ-CZ 4.41Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.89Å; L113-F141 HydrophobicContact CD2-CE2 4.47Å; L113-F141 HydrophobicContact CG-CD2 3.83Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.44Å; L113-F141 WeakPolarHBondContact O-CD2 3.18Å; T127-F141 HydrophobicContact CG2-CE1 4.13Å; A130-F141 HydrophobicContact CB-CD1 4.44Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.86Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.4Å; Q131-F141 HydrophobicContact CG-CD1 3.56Å; Q131-F141 HydrophobicContact CG-CE1 3.96Å; A134-F141 HydrophobicContact CB-CB 3.6Å; F141-E143 HydrophobicContact CE1-CG 3.71Å; F141-E143 HydrophobicContact CE2-CG 4.22Å; F141-E143 HydrophobicContact CZ-CG 3.34Å |
| 142 | I | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.1 | 178.9 | -60.9 | 175.1 | 0 | 0 | 0 | 109.4 | V112 L113 V114 G115 T144 R151 D154 A155 T158 | V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.39Å; L113-I142 PolarHBondContact O-N 3.36Å; V114-I142 WeakPolarHBondContact CA-O 3.02Å; G115-I142 PolarHBondContact N-O 3Å; I142-T144 HydrophobicContact CG2-CG2 3.77Å; I142-R151 HydrophobicContact CG2-CB 4.03Å; I142-D154 HydrophobicContact CD1-CB 4.27Å; I142-D154 WeakPolarHBondContact CD1-O 3.15Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; I142-A155 HydrophobicContact CG2-CB 4.45Å; I142-T158 HydrophobicContact CD1-CG2 4.12Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.4Å |
| 143 | E | 98.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.4 | 166.6 | -67.8 | -167 | 155.6 | 0 | 0 | 110.1 | G115 C118 R123 T127 F141 | G115-E143 CarbonylContact O-C 3.59Å; G115-E143 VanDerWaalsContact O-CA 3.3Å; G115-E143 WeakPolarHBondContact O-CA 3.27Å; C118-E143 HydrophobicContact CB-CB 4.19Å; R123-E143 IonicContact CZ-OE1 3.86Å; R123-E143 VanDerWaalsContact CZ-OE1 3.27Å; R123-E143 IonicContact NH1-OE1 3.62Å; R123-E143 PolarHBondContact NH1-OE1 2.84Å; R123-E143 VanDerWaalsContact NH2-CD 3.25Å; R123-E143 IonicContact NH2-OE1 3.47Å; R123-E143 PolarHBondContact NH2-OE1 3.12Å; R123-E143 IonicContact NH2-OE2 2.69Å; R123-E143 PolarHBondContact NH2-OE2 3.21Å; T127-E143 PolarHBondContact OG1-OE1 3.21Å; F141-E143 HydrophobicContact CE1-CG 3.71Å; F141-E143 HydrophobicContact CE2-CG 4.22Å; F141-E143 HydrophobicContact CZ-CG 3.34Å |
| 144 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -132.4 | 157.2 | -175.5 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | V114 G115 N116 K117 C118 I142 Q150 R151 A155 | V114-T144 HydrophobicContact CG1-CG2 3.81Å; V114-T144 VanDerWaalsContact CG1-OG1 3.25Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.46Å; G115-T144 PolarHBondContact O-N 3.33Å; N116-T144 CarbonylContact C-O 3.53Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.14Å; N116-T144 PolarHBondContact OD1-O 2.99Å; N116-T144 PolarHBondContact OD1-OG1 2.86Å; K117-T144 PolarHBondContact N-O 3.33Å; C118-T144 PolarHBondContact N-O 2.86Å; C118-T144 VanDerWaalsContact N-O 3.09Å; C118-T144 PolarHBondContact SG-O 2.98Å; I142-T144 HydrophobicContact CG2-CG2 3.77Å; T144-Q150 WeakPolarHBondContact CA-O 3.43Å; T144-R151 HydrophobicContact CG2-CB 4.34Å; T144-R151 WeakPolarHBondContact CG2-O 3.36Å; T144-A155 HydrophobicContact CG2-CB 4.04Å | ||
| 145 | S | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -132.3 | 109.1 | 165.1 | 169.2 | 0 | 0 | 0 | 0 | 108.3 | D119 K147 T148 R149 Q150 | D119-S145 WeakPolarHBondContact OD1-CB 3.29Å; D119-S145 PolarHBondContact OD1-OG 3.45Å; S145-K147 PolarHBondContact O-N 2.83Å; S145-K147 PolarHBondContact OG-N 2.87Å; S145-T148 WeakPolarHBondContact CB-OG1 3.04Å; S145-T148 PolarHBondContact O-N 2.99Å; S145-T148 PolarHBondContact OG-N 3.41Å; S145-T148 VanDerWaalsContact OG-N 3.08Å; S145-T148 PolarHBondContact OG-OG1 3.41Å; S145-R149 CarbonylContact O-C 3.58Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.17Å; S145-R149 PolarHBondContact O-N 2.88Å; S145-Q150 PolarHBondContact N-O 3.2Å; S145-Q150 PolarHBondContact O-N 3.16Å; S145-Q150 VanDerWaalsContact O-N 3.17Å |
| 146 | A | 96.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.68Å; L19-A146 HydrophobicContact CD2-CB 3.92Å; L19-A146 HydrophobicContact CG-CB 4.17Å; Q22-A146 WeakPolarHBondContact CG-O 3.38Å; Q22-A146 PolarHBondContact NE2-O 3.4Å; F28-A146 HydrophobicContact CD2-CB 4.34Å; F28-A146 HydrophobicContact CE2-CB 4.29Å; N116-A146 PolarHBondContact OD1-N 3.25Å |
| 147 | K | 95.6 | Very high | 97.9 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 50% | 0.504 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -46.7 | -179.5 | -175.7 | 174.2 | -175.1 | 171.3 | 0 | 112.9 | F28 S145 | F28-K147 HydrophobicContact CD1-CB 4.43Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.4Å; F28-K147 HydrophobicContact CE1-CB 4.13Å; F28-K147 HydrophobicContact CE1-CD 4.36Å; F28-K147 HydrophobicContact CE1-CG 3.88Å; F28-K147 HydrophobicContact CE2-CB 4.14Å; F28-K147 HydrophobicContact CZ-CB 4Å; F28-K147 HydrophobicContact CZ-CG 4.24Å; S145-K147 PolarHBondContact O-N 2.83Å; S145-K147 PolarHBondContact OG-N 2.87Å |
| 148 | T | 96.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 0.8 | -177.2 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 4.08Å; S145-T148 WeakPolarHBondContact CB-OG1 3.04Å; S145-T148 PolarHBondContact O-N 2.99Å; S145-T148 PolarHBondContact OG-N 3.41Å; S145-T148 VanDerWaalsContact OG-N 3.08Å; S145-T148 PolarHBondContact OG-OG1 3.41Å; T148-Q150 PolarHBondContact O-N 2.88Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.45Å; T148-Q150 PolarHBondContact OG1-N 3.43Å |
| 149 | R | 96.4 | Very high | 98 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 39% | 0.392 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 10.4 | -171.2 | -167.8 | 170.6 | 167.9 | -161.6 | -3.4 | 113.9 | Q22 N26 S145 R151 V152 E153 | Q22-R149 HydrophobicContact CG-CB 4.06Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; N26-R149 PolarHBondContact OD1-NH1 3.32Å; N26-R149 PolarHBondContact OD1-NH2 2.98Å; S145-R149 CarbonylContact O-C 3.58Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.17Å; S145-R149 PolarHBondContact O-N 2.88Å; R149-R151 PolarHBondContact O-N 3.4Å; R149-V152 PolarHBondContact O-N 2.98Å; R149-E153 IonicContact CZ-OE1 3.72Å; R149-E153 IonicContact NE-OE1 3.6Å; R149-E153 IonicContact NH2-OE1 2.73Å; R149-E153 PolarHBondContact NH2-OE1 3.4Å |
| 150 | Q | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 38.5 Ų | 38.5 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -58.2 | 117.4 | 179 | -178.7 | 175.8 | -4.3 | 0 | 0 | 110.7 | T144 S145 T148 V152 | T144-Q150 WeakPolarHBondContact CA-O 3.43Å; S145-Q150 PolarHBondContact N-O 3.2Å; S145-Q150 PolarHBondContact O-N 3.16Å; S145-Q150 VanDerWaalsContact O-N 3.17Å; T148-Q150 PolarHBondContact O-N 2.88Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.45Å; T148-Q150 PolarHBondContact OG1-N 3.43Å; Q150-V152 PolarHBondContact O-N 3.4Å |
| 151 | R | 98.1 | Very high | 98 | Very high | 116 Ų | 116 | 40.8 Ų | 40.8 | 44% | 0.438 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 22.2 | 173.3 | -55.8 | -169.4 | 75.5 | -172.3 | -1.3 | 115.4 | I142 T144 R149 D154 A155 | I142-R151 HydrophobicContact CG2-CB 4.03Å; T144-R151 HydrophobicContact CG2-CB 4.34Å; T144-R151 WeakPolarHBondContact CG2-O 3.36Å; R149-R151 PolarHBondContact O-N 3.4Å; R151-D154 HydrophobicContact CB-CB 4.11Å; R151-D154 WeakPolarHBondContact CG-OD2 3.29Å; R151-D154 IonicContact CZ-OD2 2.87Å; R151-D154 IonicContact NE-OD2 3.72Å; R151-D154 PolarHBondContact NE-OD2 3.3Å; R151-D154 IonicContact NH2-OD2 2.78Å; R151-D154 PolarHBondContact NH2-OD2 3.31Å; R151-D154 PolarHBondContact O-N 3.2Å; R151-A155 PolarHBondContact O-N 2.68Å |
| 152 | V | 97.9 | Very high | 98 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 110 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG1 4.32Å; L19-V152 HydrophobicContact CD2-CG2 3.84Å; Q22-V152 HydrophobicContact CB-CG1 4.44Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.11Å; L23-V152 HydrophobicContact CB-CG1 4.09Å; R149-V152 PolarHBondContact O-N 2.98Å; Q150-V152 PolarHBondContact O-N 3.4Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-D154 PolarHBondContact O-N 3.25Å; V152-A155 PolarHBondContact O-N 3.01Å; V152-F156 HydrophobicContact CG1-CD2 4.43Å; V152-F156 HydrophobicContact CG1-CE2 4.16Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.18Å |
| 153 | E | 97.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 41 Ų | 41 | 28% | 0.276 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.6 | -71.4 | 174.6 | -168.5 | 0 | 0 | 112.2 | L23 R149 A155 F156 Y157 | L23-E153 HydrophobicContact CD1-CG 3.79Å; R149-E153 IonicContact CZ-OE1 3.72Å; R149-E153 IonicContact NE-OE1 3.6Å; R149-E153 IonicContact NH2-OE1 2.73Å; R149-E153 PolarHBondContact NH2-OE1 3.4Å; E153-A155 PolarHBondContact O-N 2.58Å; E153-F156 PolarHBondContact O-N 2.86Å; E153-Y157 HydrophobicContact CB-CD2 4.26Å; E153-Y157 HydrophobicContact CB-CE2 3.97Å; E153-Y157 HydrophobicContact CG-CE2 4.45Å; E153-Y157 WeakPolarHBondContact O-CB 3.47Å; E153-Y157 WeakPolarHBondContact O-CD1 3.38Å; E153-Y157 VanDerWaalsContact O-CG 3.23Å; E153-Y157 PolarHBondContact O-N 3.06Å |
| 154 | D | 98.3 | Very high | 97.9 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.342 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.3 | -41.9 | 177.6 | -66.1 | -3.8 | 0 | 0 | 0 | 112.1 | I142 R151 V152 T158 | I142-D154 HydrophobicContact CD1-CB 4.27Å; I142-D154 WeakPolarHBondContact CD1-O 3.15Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; R151-D154 HydrophobicContact CB-CB 4.11Å; R151-D154 WeakPolarHBondContact CG-OD2 3.29Å; R151-D154 IonicContact CZ-OD2 2.87Å; R151-D154 IonicContact NE-OD2 3.72Å; R151-D154 PolarHBondContact NE-OD2 3.3Å; R151-D154 IonicContact NH2-OD2 2.78Å; R151-D154 PolarHBondContact NH2-OD2 3.31Å; R151-D154 PolarHBondContact O-N 3.2Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-D154 PolarHBondContact O-N 3.25Å; D154-T158 WeakPolarHBondContact O-CB 3.32Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.18Å |
| 155 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -52.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V114 I142 T144 R151 V152 E153 L159 | V114-A155 HydrophobicContact CG2-CB 4.1Å; I142-A155 HydrophobicContact CG2-CB 4.45Å; T144-A155 HydrophobicContact CG2-CB 4.04Å; R151-A155 PolarHBondContact O-N 2.68Å; V152-A155 PolarHBondContact O-N 3.01Å; E153-A155 PolarHBondContact O-N 2.58Å; A155-L159 PolarHBondContact O-N 3.28Å |
| 156 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -38.9 | -179.6 | -69 | -91.4 | 0 | 0 | 0 | 112.2 | L6 V8 L19 L23 I55 L79 V152 E153 L159 V160 | L6-F156 HydrophobicContact CD1-CB 4.5Å; L6-F156 HydrophobicContact CD1-CD1 3.94Å; V8-F156 HydrophobicContact CG2-CE1 4.05Å; V8-F156 HydrophobicContact CG2-CZ 4.35Å; L19-F156 HydrophobicContact CB-CE2 4.33Å; L19-F156 HydrophobicContact CB-CZ 4.45Å; L23-F156 HydrophobicContact CB-CD2 4.39Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD1-CD2 4.35Å; L23-F156 HydrophobicContact CD2-CB 4.08Å; L23-F156 HydrophobicContact CD2-CD1 3.83Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.13Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.2Å; L23-F156 HydrophobicContact CG-CD2 4.35Å; I55-F156 HydrophobicContact CD1-CD1 3.98Å; I55-F156 HydrophobicContact CD1-CE1 3.86Å; I55-F156 HydrophobicContact CG2-CE1 4Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.12Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 3.99Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.65Å; V152-F156 HydrophobicContact CG1-CD2 4.43Å; V152-F156 HydrophobicContact CG1-CE2 4.16Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.18Å; E153-F156 PolarHBondContact O-N 2.86Å; F156-L159 WeakPolarHBondContact O-CB 3.35Å; F156-L159 PolarHBondContact O-N 3.28Å; F156-V160 PolarHBondContact O-N 2.93Å |
| 157 | Y | 98.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 14% | 0.137 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.6 | -35.6 | -178 | -65.7 | -0.5 | 0 | 0 | 0 | 111.6 | V44 I46 L53 E153 L159 V160 R161 | V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.22Å; I46-Y157 HydrophobicContact CD1-CD1 3.38Å; I46-Y157 HydrophobicContact CD1-CE1 3.81Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.22Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.37Å; I46-Y157 HydrophobicContact CG1-CG 3.89Å; I46-Y157 HydrophobicContact CG2-CG 4.36Å; L53-Y157 HydrophobicContact CD1-CE1 4.4Å; E153-Y157 HydrophobicContact CB-CD2 4.26Å; E153-Y157 HydrophobicContact CB-CE2 3.97Å; E153-Y157 HydrophobicContact CG-CE2 4.45Å; E153-Y157 WeakPolarHBondContact O-CB 3.47Å; E153-Y157 WeakPolarHBondContact O-CD1 3.38Å; E153-Y157 VanDerWaalsContact O-CG 3.23Å; E153-Y157 PolarHBondContact O-N 3.06Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-V160 PolarHBondContact O-N 3.02Å; Y157-R161 WeakPolarHBondContact O-CG 2.82Å; Y157-R161 PolarHBondContact O-N 2.98Å |
| 158 | T | 98.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 171.1 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | V112 P140 I142 D154 V160 R161 E162 | V112-T158 HydrophobicContact CG2-CG2 3.97Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.82Å; I142-T158 HydrophobicContact CD1-CG2 4.12Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.4Å; D154-T158 WeakPolarHBondContact O-CB 3.32Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.18Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 2.87Å; T158-R161 WeakPolarHBondContact O-CA 3.38Å; T158-R161 WeakPolarHBondContact O-CB 3.26Å; T158-R161 PolarHBondContact O-N 3.47Å; T158-E162 WeakPolarHBondContact O-CG 3.46Å; T158-E162 PolarHBondContact O-N 3.18Å |
| 159 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.1 | -177.6 | 61.1 | 0 | 0 | 0 | 112.6 | L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.25Å; L6-L159 HydrophobicContact CD1-CD2 4.45Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.4Å; L79-L159 HydrophobicContact CD2-CB 4Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.44Å; L79-L159 HydrophobicContact CG-CD2 3.78Å; P110-L159 HydrophobicContact CB-CD1 4.41Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.11Å; A155-L159 PolarHBondContact O-N 3.28Å; F156-L159 WeakPolarHBondContact O-CB 3.35Å; F156-L159 PolarHBondContact O-N 3.28Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.42Å; L159-E162 PolarHBondContact O-N 3.2Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 3.44Å |
| 160 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 173.8 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | Y4 L6 I46 L53 F156 Y157 T158 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.77Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.24Å; Y4-V160 HydrophobicContact CE2-CG1 3.55Å; Y4-V160 HydrophobicContact CG-CG1 4.21Å; Y4-V160 HydrophobicContact CG-CG2 4.28Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.41Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.74Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; L53-V160 HydrophobicContact CD2-CG2 3.66Å; F156-V160 PolarHBondContact O-N 2.93Å; Y157-V160 PolarHBondContact O-N 3.02Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 2.87Å; V160-I163 PolarHBondContact O-N 3.36Å; V160-R164 WeakPolarHBondContact O-CG 3.39Å; V160-R164 PolarHBondContact O-N 3Å |
| 161 | R | 98.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.6 | -66.6 | 174.6 | -170.4 | 118.4 | -1.7 | 112 | D47 Y157 T158 L159 I163 R164 Q165 | D47-R161 IonicContact OD1-CZ 3.46Å; D47-R161 IonicContact OD1-NE 3.29Å; D47-R161 PolarHBondContact OD1-NE 3.08Å; D47-R161 IonicContact OD1-NH2 2.76Å; D47-R161 PolarHBondContact OD1-NH2 3.29Å; D47-R161 WeakPolarHBondContact OD2-CG 3.39Å; D47-R161 IonicContact OD2-CZ 3.7Å; D47-R161 IonicContact OD2-NE 2.83Å; D47-R161 PolarHBondContact OD2-NE 2.69Å; D47-R161 IonicContact OD2-NH2 3.72Å; Y157-R161 WeakPolarHBondContact O-CG 2.82Å; Y157-R161 PolarHBondContact O-N 2.98Å; T158-R161 WeakPolarHBondContact O-CA 3.38Å; T158-R161 WeakPolarHBondContact O-CB 3.26Å; T158-R161 PolarHBondContact O-N 3.47Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.42Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.07Å; R161-R164 WeakPolarHBondContact O-CB 3.46Å; R161-R164 PolarHBondContact O-N 2.97Å; R161-Q165 WeakPolarHBondContact O-CG 3.17Å; R161-Q165 PolarHBondContact O-N 3.42Å |
| 162 | E | 98.5 | Very high | 95.4 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.3 | -64.8 | -56.7 | 112.3 | 0 | 0 | 111.5 | P110 V112 P140 T158 L159 R164 Q165 Y166 | P110-E162 HydrophobicContact CB-CB 4.06Å; V112-E162 HydrophobicContact CG2-CG 4.33Å; P140-E162 HydrophobicContact CG-CG 3.95Å; T158-E162 WeakPolarHBondContact O-CG 3.46Å; T158-E162 PolarHBondContact O-N 3.18Å; L159-E162 PolarHBondContact O-N 3.2Å; E162-R164 PolarHBondContact O-N 3.01Å; E162-Q165 PolarHBondContact O-N 2.77Å; E162-Y166 WeakPolarHBondContact O-CB 3.24Å; E162-Y166 PolarHBondContact O-N 3.21Å |
| 163 | I | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.8 | -63.1 | 165.3 | 0 | 0 | 0 | 111 | Y4 L6 E76 P110 L159 V160 R161 Y166 R167 | Y4-I163 HydrophobicContact CD1-CB 4.32Å; Y4-I163 HydrophobicContact CD1-CD1 4.34Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.5Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; L6-I163 HydrophobicContact CD2-CD1 3.41Å; L6-I163 VanDerWaalsContact CD2-CD1 3.41Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.3Å; P110-I163 HydrophobicContact CB-CG1 3.72Å; P110-I163 HydrophobicContact CG-CG1 4.07Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 3.44Å; V160-I163 PolarHBondContact O-N 3.36Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.07Å; I163-Y166 PolarHBondContact O-N 3.33Å; I163-R167 HydrophobicContact CG2-CG 4.4Å; I163-R167 WeakPolarHBondContact O-CG 3.45Å; I163-R167 PolarHBondContact O-N 3.01Å |
| 164 | R | 97.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.5 | -74 | 171 | 172.7 | 172.1 | -3.7 | 111.3 | Y4 I46 D47 E49 V160 R161 E162 R167 F168 | Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.24Å; Y4-R164 PolarHBondContact OH-NE 3.43Å; I46-R164 PolarHBondContact O-NH1 3.37Å; I46-R164 PolarHBondContact O-NH2 3.47Å; D47-R164 IonicContact OD2-NH1 3.4Å; D47-R164 PolarHBondContact OD2-NH1 3.39Å; E49-R164 IonicContact OE2-CZ 3.28Å; E49-R164 VanDerWaalsContact OE2-CZ 3.28Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.01Å; E49-R164 IonicContact OE2-NH2 2.75Å; E49-R164 PolarHBondContact OE2-NH2 2.97Å; V160-R164 WeakPolarHBondContact O-CG 3.39Å; V160-R164 PolarHBondContact O-N 3Å; R161-R164 WeakPolarHBondContact O-CB 3.46Å; R161-R164 PolarHBondContact O-N 2.97Å; E162-R164 PolarHBondContact O-N 3.01Å; R164-R167 PolarHBondContact O-N 3.43Å; R164-F168 WeakPolarHBondContact O-CB 3.43Å; R164-F168 PolarHBondContact O-N 3.01Å |
| 165 | Q | 96.5 | Very high | 92.1 | Very high | 110 Ų | 110 | 64 Ų | 64 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 178 | -70.9 | 179.7 | 25.7 | 0 | 0 | 111.7 | R161 E162 F168 N169 | R161-Q165 WeakPolarHBondContact O-CG 3.17Å; R161-Q165 PolarHBondContact O-N 3.42Å; E162-Q165 PolarHBondContact O-N 2.77Å; Q165-F168 PolarHBondContact O-N 2.84Å; Q165-N169 WeakPolarHBondContact O-CB 3.1Å; Q165-N169 VanDerWaalsContact O-CG 3.28Å; Q165-N169 PolarHBondContact O-N 2.64Å; Q165-N169 PolarHBondContact O-ND2 3.2Å |
| 166 | Y | 96.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 177.4 | 177 | -105.6 | 0 | 0 | 0 | 112.8 | D108 P110 E162 I163 F168 N169 K170 | D108-Y166 HydrophobicContact CB-CE2 4.21Å; D108-Y166 WeakPolarHBondContact O-CE2 3.44Å; D108-Y166 PolarHBondContact O-OH 2.93Å; P110-Y166 HydrophobicContact CG-CD1 4.03Å; P110-Y166 HydrophobicContact CG-CD2 4.48Å; P110-Y166 HydrophobicContact CG-CG 3.81Å; E162-Y166 WeakPolarHBondContact O-CB 3.24Å; E162-Y166 PolarHBondContact O-N 3.21Å; I163-Y166 PolarHBondContact O-N 3.33Å; Y166-F168 VanDerWaalsContact C-N 3.33Å; Y166-F168 PolarHBondContact O-N 3.42Å; Y166-N169 PolarHBondContact O-N 3.37Å; Y166-K170 HydrophobicContact CD1-CD 4.49Å; Y166-K170 HydrophobicContact CE1-CD 3.78Å; Y166-K170 HydrophobicContact CE1-CG 4.48Å; Y166-K170 HydrophobicContact CE2-CD 4.49Å; Y166-K170 PolarHBondContact O-N 3.38Å; Y166-K170 WeakPolarHBondContact OH-CE 3.35Å; Y166-K170 PolarHBondContact OH-NZ 3.48Å |
| 167 | R | 94.4 | Very high | 88.2 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 30% | 0.302 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.7 | -73.3 | -179.5 | 178.8 | 173.4 | 4.5 | 111.3 | E3 E76 I163 R164 K170 I171 | E3-R167 PolarHBondContact O-NH2 3.47Å; E76-R167 IonicContact OE1-CZ 3.89Å; E76-R167 IonicContact OE1-NE 2.63Å; E76-R167 IonicContact OE1-NH2 3.07Å; E76-R167 PolarHBondContact OE1-NH2 3.36Å; E76-R167 IonicContact OE2-NH2 3.47Å; E76-R167 PolarHBondContact OE2-NH2 3.18Å; I163-R167 HydrophobicContact CG2-CG 4.4Å; I163-R167 WeakPolarHBondContact O-CG 3.45Å; I163-R167 PolarHBondContact O-N 3.01Å; R164-R167 PolarHBondContact O-N 3.43Å; R167-K170 PolarHBondContact O-N 3.16Å; R167-I171 WeakPolarHBondContact O-CG1 3.34Å; R167-I171 PolarHBondContact O-N 3.48Å |
| 168 | F | 92.9 | Very high | 86 | Confident | 143 Ų | 143 | 80.9 Ų | 80.9 | 63% | 0.627 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 176.4 | -179.3 | -96.4 | 0 | 0 | 0 | 112.1 | R164 Q165 Y166 K170 I171 S172 | R164-F168 WeakPolarHBondContact O-CB 3.43Å; R164-F168 PolarHBondContact O-N 3.01Å; Q165-F168 PolarHBondContact O-N 2.84Å; Y166-F168 VanDerWaalsContact C-N 3.33Å; Y166-F168 PolarHBondContact O-N 3.42Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 3.34Å; F168-I171 PolarHBondContact O-N 3.27Å; F168-S172 PolarHBondContact O-N 3.48Å; F168-S172 VanDerWaalsContact O-N 3.07Å |
| 169 | N | 91.1 | Very high | 83.9 | Confident | 70 Ų | 70 | 89 Ų | 89 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 179.3 | -73 | -18.7 | 0 | 0 | 0 | 112.3 | Q165 Y166 S172 K173 | Q165-N169 WeakPolarHBondContact O-CB 3.1Å; Q165-N169 VanDerWaalsContact O-CG 3.28Å; Q165-N169 PolarHBondContact O-N 2.64Å; Q165-N169 PolarHBondContact O-ND2 3.2Å; Y166-N169 PolarHBondContact O-N 3.37Å; N169-S172 PolarHBondContact O-N 3.42Å; N169-S172 PolarHBondContact O-OG 2.85Å; N169-K173 WeakPolarHBondContact O-CG 3.47Å; N169-K173 PolarHBondContact O-N 2.94Å |
| 170 | K | 87.4 | Confident | 81.6 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 44% | 0.443 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.6 | -87.6 | -169.4 | 161.1 | 173.9 | 0 | 112.6 | Y166 R167 F168 S172 K173 E174 | Y166-K170 HydrophobicContact CD1-CD 4.49Å; Y166-K170 HydrophobicContact CE1-CD 3.78Å; Y166-K170 HydrophobicContact CE1-CG 4.48Å; Y166-K170 HydrophobicContact CE2-CD 4.49Å; Y166-K170 PolarHBondContact O-N 3.38Å; Y166-K170 WeakPolarHBondContact OH-CE 3.35Å; Y166-K170 PolarHBondContact OH-NZ 3.48Å; R167-K170 PolarHBondContact O-N 3.16Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 3.34Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 3.2Å; K170-K173 PolarHBondContact O-N 3.35Å; K170-K173 VanDerWaalsContact O-N 3.16Å; K170-E174 PolarHBondContact O-N 3.12Å |
| 171 | I | 85.8 | Confident | 79.4 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 178.8 | -64.3 | 164 | 0 | 0 | 0 | 110.3 | R167 F168 K173 E174 E175 | R167-I171 WeakPolarHBondContact O-CG1 3.34Å; R167-I171 PolarHBondContact O-N 3.48Å; F168-I171 PolarHBondContact O-N 3.27Å; I171-K173 VanDerWaalsContact C-N 3.25Å; I171-K173 PolarHBondContact O-N 3.39Å; I171-E174 PolarHBondContact O-N 3.45Å; I171-E175 PolarHBondContact O-N 3.23Å; I171-E175 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 81.9 | Confident | 77.3 | Confident | 30 Ų | 30 | 105.4 Ų | 105.4 | 21% | 0.21 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -64 | -26.1 | -179.4 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | F168 N169 K170 K176 | F168-S172 PolarHBondContact O-N 3.48Å; F168-S172 VanDerWaalsContact O-N 3.07Å; N169-S172 PolarHBondContact O-N 3.42Å; N169-S172 PolarHBondContact O-OG 2.85Å; K170-S172 VanDerWaalsContact C-N 3.31Å; K170-S172 PolarHBondContact O-N 3.2Å; S172-K176 WeakPolarHBondContact O-CG 3.4Å |
| 173 | K | 77.9 | Confident | 75.2 | Confident | 138 Ų | 138 | 110.9 Ų | 110.9 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.4 | -38.8 | 176.9 | -75 | 176.6 | -177.6 | 175.5 | 0 | 111.3 | N169 K170 I171 K176 T177 | N169-K173 WeakPolarHBondContact O-CG 3.47Å; N169-K173 PolarHBondContact O-N 2.94Å; K170-K173 PolarHBondContact O-N 3.35Å; K170-K173 VanDerWaalsContact O-N 3.16Å; I171-K173 VanDerWaalsContact C-N 3.25Å; I171-K173 PolarHBondContact O-N 3.39Å; K173-K176 PolarHBondContact O-N 3.49Å; K173-T177 PolarHBondContact O-N 3.08Å |
| 174 | E | 75.2 | Confident | 73 | Confident | 138 Ų | 138 | 120 Ų | 120 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -37.2 | 178.9 | -70.1 | 176.7 | -174.9 | 0 | 0 | 112.3 | K170 I171 K176 T177 | K170-E174 PolarHBondContact O-N 3.12Å; I171-E174 PolarHBondContact O-N 3.45Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.38Å; E174-T177 PolarHBondContact O-N 3.19Å; E174-T177 PolarHBondContact O-OG1 3.23Å |
| 175 | E | 71.1 | Confident | 70.6 | Confident | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.3 | -24.9 | 175.8 | -70 | -179.6 | 161.8 | 0 | 0 | 113.3 | I171 | I171-E175 PolarHBondContact O-N 3.23Å; I171-E175 VanDerWaalsContact O-N 3.16Å |
| 176 | K | 63.7 | Low | 68.5 | Low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -87.6 | -11.7 | -179.5 | -71.7 | 178.6 | -175.4 | 178.8 | 0 | 114.2 | S172 K173 E174 P178 | S172-K176 WeakPolarHBondContact O-CG 3.4Å; K173-K176 PolarHBondContact O-N 3.49Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.38Å; K176-P178 VanDerWaalsContact O-CD 3.32Å; K176-P178 WeakPolarHBondContact O-CD 3.35Å |
| 177 | T | 51 | Low | 66.8 | Low | 96 Ų | 96 | 131.5 Ų | 131.5 | 59% | 0.589 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -77.5 | 114.8 | 172.9 | 36.6 | 0 | 0 | 0 | 0 | 110.6 | K173 E174 K179 | K173-T177 PolarHBondContact O-N 3.08Å; E174-T177 PolarHBondContact O-N 3.19Å; E174-T177 PolarHBondContact O-OG1 3.23Å; T177-K179 PolarHBondContact O-N 3.08Å; T177-K179 VanDerWaalsContact O-N 3.16Å |
| 178 | P | 52.6 | Low | 64.8 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | trans | -63.8 | 122 | 176.9 | 24.7 | -30.5 | 0 | 0 | 0 | 108.9 | K176 C180 | K176-P178 VanDerWaalsContact O-CD 3.32Å; K176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-C180 PolarHBondContact O-N 3.05Å | ||
| 179 | K | 53.6 | Low | 62.4 | Low | 196 Ų | 196 | 138.6 Ų | 138.6 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | trans | -60 | 103.5 | 169.2 | -71.9 | -176.8 | -179.2 | 175.8 | 0 | 107.4 | T177 V181 | T177-K179 PolarHBondContact O-N 3.08Å; T177-K179 VanDerWaalsContact O-N 3.16Å; K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.04Å | ||
| 180 | C | 50.6 | Low | 60.9 | Low | 122 Ų | 122 | 142.1 Ų | 142.1 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -63.6 | 95.9 | 170.2 | -164.7 | 0 | 0 | 0 | 0 | 107.2 | P178 K182 | P178-C180 PolarHBondContact O-N 3.05Å; C180-K182 PolarHBondContact O-N 3.36Å | ||
| 181 | V | 53.7 | Low | 59.5 | Low | 114 Ų | 114 | 144.2 Ų | 144.2 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -63.7 | 102.1 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 105.9 | K179 L183 | K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.04Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 3.2Å | ||
| 182 | K | 54.4 | Low | 58.1 | Low | 188 Ų | 188 | 146.9 Ų | 146.9 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 97.2 | 168.4 | -72 | -175 | 178.4 | -179.6 | 0 | 107 | C180 K184 | C180-K182 PolarHBondContact O-N 3.36Å; K182-K184 PolarHBondContact O-N 2.69Å | ||
| 183 | L | 54.4 | Low | 56.7 | Low | 159 Ų | 159 | 153.8 Ų | 153.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -57.1 | 106.6 | 165.9 | -88.4 | 116.4 | 0 | 0 | 0 | 106.9 | V181 K185 | V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 3.2Å; L183-K185 PolarHBondContact O-N 3.36Å | ||
| 184 | K | 51.3 | Low | 55.4 | Low | 195 Ų | 195 | 154.8 Ų | 154.8 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -59.4 | 110.9 | 165.7 | -73.3 | -176.7 | 176.6 | -178.7 | 0 | 106.1 | K182 C186 | K182-K184 PolarHBondContact O-N 2.69Å; K184-C186 PolarHBondContact O-N 3.42Å | ||
| 185 | K | 48 | Very low | 54 | Low | 195 Ų | 195 | 155.9 Ų | 155.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -59.8 | 104.5 | 165.7 | -85.1 | -178.7 | 171 | -178.9 | 0 | 107 | L183 V187 | L183-K185 PolarHBondContact O-N 3.36Å; K185-V187 PolarHBondContact O-N 3.48Å; K185-V187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | C | 52.6 | Low | 52.8 | Low | 118 Ų | 118 | 155.7 Ų | 155.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -62.8 | 107.1 | 158 | -79.1 | 0 | 0 | 0 | 0 | 106.8 | K184 V188 | K184-C186 PolarHBondContact O-N 3.42Å; C186-V188 PolarHBondContact O-N 3.2Å | ||
| 187 | V | 58.9 | Low | 52 | Low | 129 Ų | 129 | 154.3 Ų | 154.3 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | trans | -81.8 | 109.1 | 160.8 | -179.5 | 0 | 0 | 0 | 0 | 105.3 | K185 | K185-V187 PolarHBondContact O-N 3.48Å; K185-V187 VanDerWaalsContact O-N 3.15Å | ||
| 188 | V | 53.7 | Low | 52.1 | Low | 125 Ų | 125 | 159.2 Ų | 159.2 | 76% | 0.758 | 84% | 0.838 | S | S | * | * | trans | -104.1 | 139.5 | 163.6 | 179.4 | 0 | 0 | 0 | 0 | 106 | C186 | C186-V188 PolarHBondContact O-N 3.2Š| ||
| 189 | M | 41 | Very low | 52 | Low | 248 Ų | 248 | 162.6 Ų | 162.6 | 100% | 1.222 | 84% | 0.843 | S | S | * | * | trans | 87.1 | 0 | -175.6 | -64.4 | -177.5 | 142.4 | 0 | 0 | 116.1 |
Retrieved 189 of 189 residues in 486 ms
(Link to these results)