| 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 | 79.1 | Confident | 94 | Very high | 144 Ų | 144 | 32.7 Ų | 32.7 | 71% | 0.709 | 16% | 0.163 | S | C | * | . | 0 | 127.9 | 0 | -177.7 | -179.5 | -72.1 | 0 | 0 | 107.1 | Q43 T50 L52 | M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 4Å; M1-T50 HydrophobicContact CE-CG2 3.76Å; M1-L52 HydrophobicContact SD-CB 4.11Å | |||
| 2 | T | 93.7 | Very high | 93.7 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.8 | -178.8 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CE1 4.12Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; T2-E49 WeakPolarHBondContact CB-OE1 3.32Å; T2-E49 PolarHBondContact OG1-OE1 3.36Å; T2-C51 CarbonylContact O-C 3.53Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; T2-L52 PolarHBondContact O-N 3.04Å |
| 3 | E | 96.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.3 | 173.4 | -173.1 | 176 | -155.5 | 0 | 0 | 109.5 | R41 L52 D54 R167 | E3-R41 IonicContact OE1-CZ 2.62Å; E3-R41 IonicContact OE1-NH2 3.38Å; E3-L52 CarbonylContact C-O 3.52Å; E3-L52 WeakPolarHBondContact CA-O 3.4Å; E3-L52 HydrophobicContact CG-CB 4.46Å; E3-L52 HydrophobicContact CG-CD2 4.3Å; E3-D54 HydrophobicContact CG-CB 4.35Å; E3-R167 PolarHBondContact O-NH2 2.69Å |
| 4 | Y | 98 | Very high | 93.5 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.1 | 175.1 | -64.5 | -73.7 | 0 | 0 | 0 | 109.9 | T2 L6 C51 L52 L53 D54 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CE1 4.12Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; Y4-L6 PolarHBondContact O-N 2.83Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Y4-L52 PolarHBondContact N-O 3.34Å; Y4-L53 HydrophobicContact CD2-CD2 4.42Å; Y4-D54 PolarHBondContact O-N 2.92Å; Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.78Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; Y4-I163 HydrophobicContact CD1-CB 4.31Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.46Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; Y4-R164 HydrophobicContact CE1-CG 4.3Å; Y4-R164 WeakPolarHBondContact OH-CG 3.35Å; Y4-R164 PolarHBondContact OH-NE 3.46Å |
| 5 | K | 97.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 37% | 0.365 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 106.2 | 176.9 | -61.4 | 178.6 | 179.2 | -178.5 | 0 | 110.4 | D54 E76 G77 | K5-D54 CarbonylContact C-O 3.6Å; K5-D54 WeakPolarHBondContact CA-O 3.05Å; K5-D54 HydrophobicContact CG-CB 4.33Å; K5-E76 HydrophobicContact CB-CG 4.17Å; K5-E76 PolarHBondContact N-OE1 3.42Å; K5-E76 PolarHBondContact O-N 2.77Å; K5-G77 PolarHBondContact O-N 2.62Å |
| 6 | L | 97.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139 | -178.4 | -48.4 | -174.1 | 0 | 0 | 0 | 109.3 | Y4 L53 D54 I55 L56 F156 L159 V160 I163 | Y4-L6 PolarHBondContact O-N 2.83Å; L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L6-D54 PolarHBondContact N-O 2.94Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 WeakPolarHBondContact O-CA 3.33Å; L6-L56 PolarHBondContact O-N 3.36Å; L6-F156 HydrophobicContact CD1-CD1 3.95Å; L6-L159 HydrophobicContact CB-CD2 4.27Å; L6-L159 HydrophobicContact CD1-CD2 4.49Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.42Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; L6-I163 HydrophobicContact CD2-CD1 3.42Å; L6-I163 VanDerWaalsContact CD2-CD1 3.42Å |
| 7 | V | 96.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.3 | 176 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.83Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-Y71 HydrophobicContact CG1-CD2 3.86Å; V7-Y71 HydrophobicContact CG1-CE2 4.33Å; V7-G77 PolarHBondContact N-O 3.26Å; V7-F78 HydrophobicContact CB-CD1 3.75Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.24Å; V7-F78 HydrophobicContact CG2-CD1 4.41Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.59Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V7-L79 PolarHBondContact O-N 3.31Å |
| 8 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 113.7 | 177.2 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.41Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.18Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; V8-L56 PolarHBondContact N-O 3.05Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.04Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.26Å; V8-V81 HydrophobicContact CG1-CG2 3.58Å; V8-F156 HydrophobicContact CG2-CE1 4.08Å; V8-F156 HydrophobicContact CG2-CZ 4.39Å |
| 9 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.1 | -178.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | V7 Y71 F78 L79 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.83Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; V9-L79 WeakPolarHBondContact CG2-O 3.48Å; V9-L79 PolarHBondContact N-O 3.38Å; V9-L79 VanDerWaalsContact O-O 3.1Å; V9-V81 PolarHBondContact O-N 2.61Å; V9-Y96 HydrophobicContact CB-CD1 4.13Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.47Å; V9-I100 HydrophobicContact CG2-CD1 4.02Å |
| 10 | G | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 147 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K16 V81 Y96 | G10-K16 WeakPolarHBondContact O-CE 3.41Å; G10-K16 PolarHBondContact O-NZ 2.75Å; G10-V81 WeakPolarHBondContact CA-O 3.23Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.87Å | ||
| 11 | A | 91.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -58.4 | 163.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V14 K16 Y96 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; A11-K16 PolarHBondContact O-NZ 2.94Å; A11-Y96 WeakPolarHBondContact CA-OH 3.47Å; A11-Y96 PolarHBondContact N-OH 3.15Å |
| 12 | G | 89.8 | Confident | 94.3 | Very high | 38 Ų | 38 | 18.5 Ų | 18.5 | 39% | 0.392 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 141.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V14 G60 | G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.81Å; G12-V14 VanDerWaalsContact O-N 3.16Å; G12-G60 PolarHBondContact N-O 3.26Å |
| 13 | G | 89.7 | Confident | 94.3 | Very high | 34 Ų | 34 | 16.5 Ų | 16.5 | 35% | 0.351 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 4.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | G15 K117 | G13-G15 PolarHBondContact O-N 2.93Å; G13-K117 WeakPolarHBondContact O-CE 3.43Å; G13-K117 PolarHBondContact O-NZ 3.46Å |
| 14 | V | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -72.1 | -16.4 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | A11 G12 K16 V81 A83 N116 | A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.81Å; G12-V14 VanDerWaalsContact O-N 3.16Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; V14-N116 PolarHBondContact O-ND2 2.91Å |
| 15 | G | 93.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 20 Ų | 20 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 98 | 34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 3.06Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.92Å |
| 16 | K | 94.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.7 | -56 | 175.3 | -57.5 | -171.8 | -62.7 | -76.6 | 0 | 111.6 | V8 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81 | V8-K16 HydrophobicContact CB-CB 4.41Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.18Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; G10-K16 WeakPolarHBondContact O-CE 3.41Å; G10-K16 PolarHBondContact O-NZ 2.75Å; A11-K16 PolarHBondContact O-NZ 2.94Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.91Å; K16-L19 WeakPolarHBondContact O-CB 3.33Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-L19 VanDerWaalsContact O-N 3.12Å; K16-T20 PolarHBondContact O-N 3.22Å; K16-T20 PolarHBondContact O-OG1 2.74Å; K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; K16-V81 HydrophobicContact CG-CB 4.29Å; K16-V81 HydrophobicContact CG-CG2 4.47Å |
| 17 | S | 92.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 24.7 Ų | 24.7 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 175.5 | -36 | 0 | 0 | 0 | 0 | 111.7 | L19 T20 I21 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.34Å; S17-T20 PolarHBondContact O-N 3.45Å; S17-I21 WeakPolarHBondContact O-CB 3.35Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.37Å; S17-T35 PolarHBondContact OG-OG1 3.16Å; S17-D57 WeakPolarHBondContact CA-OD2 3.35Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.49Å; S17-D57 PolarHBondContact OG-OD2 2.91Å |
| 18 | A | 93.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 3.06Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.91Å; A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.41Å; A18-F28 HydrophobicContact CB-CE2 4.14Å; A18-A146 HydrophobicContact CB-CB 3.72Å |
| 19 | L | 95.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 174.3 | -74 | 170.2 | 0 | 0 | 0 | 111.6 | G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156 | G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.92Å; K16-L19 WeakPolarHBondContact O-CB 3.33Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-L19 VanDerWaalsContact O-N 3.12Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.34Å; L19-Q22 PolarHBondContact O-N 2.92Å; L19-L23 PolarHBondContact O-N 3.33Å; 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 4.34Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.2Å; L19-V152 HydrophobicContact CD2-CG1 4.27Å; L19-V152 HydrophobicContact CD2-CG2 3.83Å; L19-F156 HydrophobicContact CB-CE2 4.32Å; L19-F156 HydrophobicContact CB-CZ 4.43Å |
| 20 | T | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -51 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | K16 S17 Q22 L23 I24 Y40 I55 | K16-T20 PolarHBondContact O-N 3.22Å; K16-T20 PolarHBondContact O-OG1 2.74Å; S17-T20 PolarHBondContact O-N 3.45Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.99Å; T20-L23 WeakPolarHBondContact O-CB 3.24Å; T20-L23 PolarHBondContact O-N 3.41Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.32Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.39Å; T20-I24 PolarHBondContact O-N 3.34Å; T20-Y40 HydrophobicContact CG2-CD2 3.35Å; T20-Y40 HydrophobicContact CG2-CE2 3.83Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å |
| 21 | I | 92.8 | Very high | 88.4 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.5 | -65.6 | 167.9 | 0 | 0 | 0 | 110.5 | S17 L23 I24 Q25 V29 | S17-I21 WeakPolarHBondContact O-CB 3.35Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.37Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.16Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.45Å; I21-Q25 PolarHBondContact O-N 3.03Å; I21-V29 HydrophobicContact CG2-CG2 4.09Å |
| 22 | Q | 94.8 | Very high | 86.9 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.6 | -175.5 | 65.2 | -75 | 0 | 0 | 111.6 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.41Å; L19-Q22 PolarHBondContact O-N 2.92Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.99Å; Q22-N26 WeakPolarHBondContact O-CA 3.21Å; Q22-N26 PolarHBondContact O-N 3.35Å; Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q22-A146 WeakPolarHBondContact CG-O 3.45Å; Q22-A146 PolarHBondContact NE2-O 2.76Å; Q22-R149 HydrophobicContact CG-CB 4.11Å; Q22-R149 HydrophobicContact CG-CG 3.99Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å |
| 23 | L | 94.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 172.6 | -176.4 | 74.7 | 0 | 0 | 0 | 111.6 | L19 T20 I21 K42 L53 I55 V152 E153 F156 | L19-L23 PolarHBondContact O-N 3.33Å; T20-L23 WeakPolarHBondContact O-CB 3.24Å; T20-L23 PolarHBondContact O-N 3.41Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.16Å; L23-K42 PolarHBondContact O-NZ 3.26Å; L23-L53 HydrophobicContact CD2-CD1 4.17Å; L23-I55 HydrophobicContact CD2-CD1 3.44Å; L23-I55 VanDerWaalsContact CD2-CD1 3.44Å; L23-V152 HydrophobicContact CB-CG1 4.13Å; L23-E153 HydrophobicContact CD1-CG 3.79Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.12Å; L23-F156 HydrophobicContact CD1-CD2 4.16Å; L23-F156 HydrophobicContact CD2-CB 4.1Å; L23-F156 HydrophobicContact CD2-CD1 3.82Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.11Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.27Å |
| 24 | I | 92.1 | Very high | 84.5 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.3 | -51 | -171.3 | -60.9 | -67.3 | 0 | 0 | 0 | 111.9 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.32Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.39Å; T20-I24 PolarHBondContact O-N 3.34Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.26Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.16Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.23Å |
| 25 | Q | 88.8 | Confident | 83 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -103.9 | -7.9 | -167.5 | -59.9 | -177.8 | -5.4 | 0 | 0 | 113.5 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.45Å; I21-Q25 PolarHBondContact O-N 3.03Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.29Å |
| 26 | N | 88.2 | Confident | 81.7 | Confident | 81 Ų | 81 | 65 Ų | 65 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 52.4 | 34.5 | -170.3 | -54.6 | -63.8 | 0 | 0 | 0 | 112.4 | Q22 R149 | Q22-N26 WeakPolarHBondContact O-CA 3.21Å; Q22-N26 PolarHBondContact O-N 3.35Å; N26-R149 PolarHBondContact OD1-NH1 2.93Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å |
| 27 | H | 82.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | trans | -130.9 | 143.1 | -178.6 | -174.5 | 56 | 0 | 0 | 0 | 109.8 | Q22 Q25 | Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.29Å | ||
| 28 | F | 79.8 | Confident | 80 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 24% | 0.237 | 36% | 0.364 | C | S | . | . | trans | -106.6 | 122.5 | 172.5 | -179.1 | -109.2 | 0 | 0 | 0 | 108.6 | A18 D30 A146 K147 | A18-F28 HydrophobicContact CB-CE2 4.14Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.48Å; F28-A146 HydrophobicContact CD2-CB 4.31Å; F28-A146 HydrophobicContact CE2-CB 4.18Å; F28-K147 HydrophobicContact CD1-CB 4.44Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.12Å; F28-K147 HydrophobicContact CE1-CD 4.35Å; F28-K147 HydrophobicContact CE1-CG 3.89Å; F28-K147 HydrophobicContact CE2-CB 4.09Å; F28-K147 HydrophobicContact CZ-CB 3.97Å; F28-K147 HydrophobicContact CZ-CG 4.23Å | ||
| 29 | V | 74.5 | Confident | 79.7 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -96.9 | 115.4 | 178 | -175 | 0 | 0 | 0 | 0 | 107.9 | I21 E31 | I21-V29 HydrophobicContact CG2-CG2 4.09Å; V29-E31 WeakPolarHBondContact CG1-O 3.11Å | ||
| 30 | D | 70.2 | Confident | 79.5 | Confident | 135 Ų | 135 | 76.5 Ų | 76.5 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | trans | -74.6 | -29.1 | 178.2 | -88 | -49.9 | 0 | 0 | 0 | 112.3 | F28 | F28-D30 WeakPolarHBondContact CE1-OD1 3.48Š| ||
| 31 | E | 68 | Low | 79.6 | Confident | 173 Ų | 173 | 83.7 Ų | 83.7 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -82.2 | 122.2 | 178.5 | -68.8 | -176.3 | -180 | 0 | 0 | 111 | V29 | V29-E31 WeakPolarHBondContact CG1-O 3.11Š|
| 32 | Y | 60.3 | Low | 79.6 | Confident | 139 Ų | 139 | 84.5 Ų | 84.5 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | trans | -98.5 | 107.1 | -178.6 | -177.8 | -99.4 | 0 | 0 | 0 | 110.4 | P34 | Y32-P34 HydrophobicContact CD1-CG 4.24Å; Y32-P34 HydrophobicContact CE1-CB 4.13Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å | ||
| 33 | D | 63.9 | Low | 79.8 | Confident | 139 Ų | 139 | 89.8 Ų | 89.8 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | trans | -94.4 | 119.9 | 160.8 | -163.9 | -2.6 | 0 | 0 | 0 | 108.3 | T35 | D33-T35 PolarHBondContact O-N 3.26Š| ||
| 34 | P | 64.9 | Low | 79.8 | Confident | 70 Ų | 70 | 90.2 Ų | 90.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | trans | -54 | 113.2 | 177.7 | -24 | 31.7 | 0 | 0 | 0 | 112.3 | Y32 | Y32-P34 HydrophobicContact CD1-CG 4.24Å; Y32-P34 HydrophobicContact CE1-CB 4.13Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å | ||
| 35 | T | 63.1 | Low | 80.1 | Confident | 24 Ų | 24 | 92.8 Ų | 92.8 | 15% | 0.147 | 46% | 0.462 | C | S | . | . | trans | -66.4 | 140.8 | 178.2 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.16Å; D33-T35 PolarHBondContact O-N 3.26Å; T35-D38 HydrophobicContact CG2-CB 4.33Å; T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å | ||
| 36 | I | 67 | Low | 80.5 | Confident | 152 Ų | 152 | 87.5 Ų | 87.5 | 78% | 0.779 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -87.2 | -66.5 | 168.6 | -60.6 | 174.6 | 0 | 0 | 0 | 108.8 | A59 | I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.44Å; I36-A59 VanDerWaalsContact O-N 3.07Å |
| 37 | E | 67.9 | Low | 80.8 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.444 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 128.3 | 172.7 | -177.4 | 178.6 | 117.7 | 0 | 0 | 107.6 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.69Å; E37-L56 HydrophobicContact CG-CG 4.25Å; E37-D57 WeakPolarHBondContact CA-O 3.35Å |
| 38 | D | 82.9 | Confident | 81.4 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 41% | 0.406 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.4 | 177.2 | -80.7 | -48.9 | 0 | 0 | 0 | 111.3 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.33Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-D57 PolarHBondContact N-O 2.99Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.22Å |
| 39 | S | 87.8 | Confident | 82.1 | Confident | 74 Ų | 74 | 88 Ų | 88 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | D54 I55 | S39-D54 PolarHBondContact OG-OD1 2.85Å; S39-I55 WeakPolarHBondContact CA-O 3.26Å |
| 40 | Y | 91.9 | Very high | 83.2 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 18% | 0.18 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.2 | 179.9 | -59.1 | -89 | 0 | 0 | 0 | 111 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.35Å; T20-Y40 HydrophobicContact CG2-CE2 3.83Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.26Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 2.85Å; Y40-I55 PolarHBondContact O-N 3.48Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å |
| 41 | R | 94.6 | Very high | 84.5 | Confident | 151 Ų | 151 | 81.4 Ų | 81.4 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.6 | 178 | -67.9 | -178.5 | 174 | -160.2 | -13 | 111.6 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-CZ 2.62Å; E3-R41 IonicContact OE1-NH2 3.38Å; R41-L52 HydrophobicContact CB-CD1 4.32Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.38Å; R41-D54 HydrophobicContact CG-CB 4.49Å; R41-D54 IonicContact CZ-OD2 3.26Å; R41-D54 IonicContact NE-OD1 2.73Å; R41-D54 PolarHBondContact NE-OD1 3.38Å; R41-D54 IonicContact NE-OD2 3.86Å; R41-D54 IonicContact NH2-OD1 3.58Å; R41-D54 IonicContact NH2-OD2 3.24Å; R41-D54 PolarHBondContact NH2-OD2 3.27Å |
| 42 | K | 94.6 | Very high | 85.9 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 128.5 | 174.6 | -175.9 | 178.7 | -176.8 | -180 | 0 | 111.6 | L23 I24 V44 L53 | L23-K42 PolarHBondContact O-NZ 3.26Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.16Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.9Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.26Å |
| 43 | Q | 96.9 | Very high | 87.7 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 129.2 | 169.1 | -175 | -179.7 | -18.3 | 0 | 0 | 109.4 | M1 T50 C51 | M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 4Å; Q43-T50 HydrophobicContact CG-CG2 3.86Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.3Å; Q43-C51 WeakPolarHBondContact CA-O 3.42Å |
| 44 | V | 96.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.9 | -179.1 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | K42 I46 T50 C51 L53 Y157 | K42-V44 HydrophobicContact CD-CG1 3.9Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.77Å; V44-T50 WeakPolarHBondContact O-CA 3.45Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.46Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.06Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.24Å |
| 45 | V | 97 | Very high | 90.8 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115 | 171 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | E49 | V45-E49 WeakPolarHBondContact CA-O 3.35Å |
| 46 | I | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.4 | -179.6 | -58.1 | 172.6 | 0 | 0 | 0 | 108.5 | V44 G48 E49 L53 Y157 V160 R164 | V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.77Å; I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.9Å; I46-E49 PolarHBondContact N-O 3.11Å; I46-E49 PolarHBondContact O-N 2.79Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; I46-Y157 HydrophobicContact CD1-CD1 3.39Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.19Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.34Å; I46-Y157 HydrophobicContact CG1-CG 3.87Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.73Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; I46-R164 PolarHBondContact O-NH1 3.46Å; I46-R164 PolarHBondContact O-NH2 3.38Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å |
| 47 | D | 95.8 | Very high | 93.3 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.7 | -178 | -48.4 | -38.6 | 0 | 0 | 0 | 112.6 | E49 R161 R164 | D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.29Å; D47-R161 IonicContact OD1-CZ 2.77Å; D47-R161 IonicContact OD1-NE 3.73Å; D47-R161 PolarHBondContact OD1-NE 3.25Å; D47-R161 IonicContact OD1-NH2 2.61Å; D47-R161 PolarHBondContact OD1-NH2 3.11Å; D47-R161 IonicContact OD2-CZ 2.74Å; D47-R161 IonicContact OD2-NE 3.49Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 2.86Å; D47-R164 IonicContact OD2-NH1 3.73Å; D47-R164 PolarHBondContact OD2-NH1 3.46Å |
| 48 | G | 94.9 | Very high | 94 | Very high | 72 Ų | 72 | 48 Ų | 48 | 74% | 0.742 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -8.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I46 | I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.9Å |
| 49 | E | 95.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 34% | 0.341 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.9 | 175.8 | -172.4 | -167.8 | 168.8 | 0 | 0 | 110.8 | T2 V45 I46 D47 R164 | T2-E49 WeakPolarHBondContact CB-OE1 3.32Å; T2-E49 PolarHBondContact OG1-OE1 3.36Å; V45-E49 WeakPolarHBondContact CA-O 3.35Å; I46-E49 PolarHBondContact N-O 3.11Å; I46-E49 PolarHBondContact O-N 2.79Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.29Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.32Å; E49-R164 PolarHBondContact OE2-NE 2.96Å; E49-R164 IonicContact OE2-NH2 3.51Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å |
| 50 | T | 97 | Very high | 92.4 | Very high | 57 Ų | 57 | 43 Ų | 43 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124 | 173.7 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | M1 Q43 V44 | M1-T50 HydrophobicContact CE-CG2 3.76Å; Q43-T50 HydrophobicContact CG-CG2 3.86Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.3Å; V44-T50 WeakPolarHBondContact O-CA 3.45Å |
| 51 | C | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.4 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | T2 Y4 Q43 V44 | T2-C51 CarbonylContact O-C 3.53Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Q43-C51 WeakPolarHBondContact CA-O 3.42Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.46Å |
| 52 | L | 97.8 | Very high | 89.2 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.8 | 172.5 | -175.3 | 66.7 | 0 | 0 | 0 | 109 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact SD-CB 4.11Å; T2-L52 PolarHBondContact O-N 3.04Å; E3-L52 CarbonylContact C-O 3.52Å; E3-L52 WeakPolarHBondContact CA-O 3.4Å; E3-L52 HydrophobicContact CG-CB 4.46Å; E3-L52 HydrophobicContact CG-CD2 4.3Å; Y4-L52 PolarHBondContact N-O 3.34Å; R41-L52 HydrophobicContact CB-CD1 4.32Å |
| 53 | L | 97.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.6 | 168.2 | -50.9 | -175.2 | 0 | 0 | 0 | 108.2 | Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160 | Y4-L53 HydrophobicContact CD2-CD2 4.42Å; L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L23-L53 HydrophobicContact CD2-CD1 4.17Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.38Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.26Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.06Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; L53-I55 HydrophobicContact CB-CD1 4.15Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-Y157 HydrophobicContact CD1-CE1 4.44Å; L53-V160 HydrophobicContact CD2-CG2 3.67Å |
| 54 | D | 96.9 | Very high | 85.5 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.1 | 169.3 | -166.7 | 10.5 | 0 | 0 | 0 | 107.2 | 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 3.6Å; K5-D54 WeakPolarHBondContact CA-O 3.05Å; K5-D54 HydrophobicContact CG-CB 4.33Å; L6-D54 PolarHBondContact N-O 2.94Å; S39-D54 PolarHBondContact OG-OD1 2.85Å; R41-D54 HydrophobicContact CG-CB 4.49Å; R41-D54 IonicContact CZ-OD2 3.26Å; R41-D54 IonicContact NE-OD1 2.73Å; R41-D54 PolarHBondContact NE-OD1 3.38Å; R41-D54 IonicContact NE-OD2 3.86Å; R41-D54 IonicContact NH2-OD1 3.58Å; R41-D54 IonicContact NH2-OD2 3.24Å; R41-D54 PolarHBondContact NH2-OD2 3.27Å |
| 55 | I | 96.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.7 | -168.5 | -52.8 | 175.9 | 0 | 0 | 0 | 108.7 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 WeakPolarHBondContact O-CA 3.33Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å; L23-I55 HydrophobicContact CD2-CD1 3.44Å; L23-I55 VanDerWaalsContact CD2-CD1 3.44Å; I24-I55 HydrophobicContact CD1-CD1 4.23Å; S39-I55 WeakPolarHBondContact CA-O 3.26Å; Y40-I55 PolarHBondContact N-O 2.85Å; Y40-I55 PolarHBondContact O-N 3.48Å; L53-I55 HydrophobicContact CB-CD1 4.15Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; I55-F156 HydrophobicContact CD1-CD1 3.95Å; I55-F156 HydrophobicContact CD1-CE1 3.85Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å |
| 56 | L | 93.6 | Very high | 82.2 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.6 | 170.9 | -167.5 | 74.4 | 0 | 0 | 0 | 110.2 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 3.36Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V8-L56 PolarHBondContact N-O 3.05Å; E37-L56 HydrophobicContact CG-CD1 3.69Å; E37-L56 HydrophobicContact CG-CG 4.25Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.42Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.72Å |
| 57 | D | 88.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.4 | 169.5 | -175.3 | 40 | 0 | 0 | 0 | 109.6 | K16 S17 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; S17-D57 WeakPolarHBondContact CA-OD2 3.35Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.49Å; S17-D57 PolarHBondContact OG-OD2 2.91Å; E37-D57 WeakPolarHBondContact CA-O 3.35Å; D38-D57 PolarHBondContact N-O 2.99Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.22Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å |
| 58 | T | 83.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144 | -174.1 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | V7 V8 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.04Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.42Å; T58-G60 PolarHBondContact O-N 3.18Å; T58-Y71 HydrophobicContact CG2-CD1 4.17Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.84Å; T58-Y71 HydrophobicContact CG2-CE2 3.95Å; T58-Y71 HydrophobicContact CG2-CG 4.33Å |
| 59 | A | 74.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 135 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T35 I36 Q61 | T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.44Å; I36-A59 VanDerWaalsContact O-N 3.07Å; A59-Q61 PolarHBondContact O-N 3.41Å |
| 60 | G | 62.3 | Low | 78.3 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | trans | -79.7 | 10.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | G12 K16 T58 | G12-G60 PolarHBondContact N-O 3.26Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; T58-G60 PolarHBondContact O-N 3.18Å | ||
| 61 | Q | 61.4 | Low | 77.6 | Confident | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | trans | -95 | 139.2 | -175.9 | -74.1 | -177.3 | -13.6 | 0 | 0 | 111.4 | A59 E63 | A59-Q61 PolarHBondContact O-N 3.41Å; Q61-E63 PolarHBondContact O-N 3.43Å | ||
| 62 | E | 58.1 | Low | 77.2 | Confident | 126 Ų | 126 | 58 Ų | 58 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | trans | -81.3 | 3.3 | -167.9 | -66.1 | -175.1 | 157.9 | 0 | 0 | 114.5 | Y64 R68 | E62-Y64 PolarHBondContact O-N 3.41Å; E62-R68 PolarHBondContact O-NH2 3.24Å | ||
| 63 | E | 54.8 | Low | 76.8 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -82.5 | -8.1 | -154.6 | -71 | 157.5 | -158.9 | 0 | 0 | 115 | Q61 | Q61-E63 PolarHBondContact O-N 3.43Š|
| 64 | Y | 59.1 | Low | 76.5 | Confident | 175 Ų | 175 | 67.7 Ų | 67.7 | 69% | 0.686 | 34% | 0.344 | S | S | * | . | trans | -138 | 100.4 | 178.3 | -66.2 | -80.8 | 0 | 0 | 0 | 113.7 | E62 R68 | E62-Y64 PolarHBondContact O-N 3.41Å; Y64-R68 WeakPolarHBondContact O-CG 3.44Å | ||
| 65 | S | 61.7 | Low | 76.4 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.9 | -37.6 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | M67 R68 D69 | S65-M67 PolarHBondContact O-N 2.83Å; S65-R68 PolarHBondContact O-N 2.86Å; S65-D69 PolarHBondContact O-N 3.21Å |
| 66 | A | 62.5 | Low | 76.4 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.7 | -35.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R68 | A66-R68 VanDerWaalsContact C-N 3.3Å |
| 67 | M | 65.6 | Low | 76.6 | Confident | 123 Ų | 123 | 68.4 Ų | 68.4 | 61% | 0.606 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70 | -29.2 | 176 | -74 | -178.7 | 151.6 | 0 | 0 | 111.9 | S65 Q70 Y71 | S65-M67 PolarHBondContact O-N 2.83Å; M67-Q70 WeakPolarHBondContact O-CB 3.21Å; M67-Q70 PolarHBondContact O-N 3.05Å; M67-Y71 WeakPolarHBondContact O-CD1 3.38Å |
| 68 | R | 71.6 | Confident | 77.1 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.7 | -58.6 | -162 | -122.2 | 179.5 | 8.8 | 113.7 | E62 Y64 S65 A66 Q70 Y71 M72 | E62-R68 PolarHBondContact O-NH2 3.24Å; Y64-R68 WeakPolarHBondContact O-CG 3.44Å; S65-R68 PolarHBondContact O-N 2.86Å; A66-R68 VanDerWaalsContact C-N 3.3Å; R68-Q70 PolarHBondContact O-N 3.38Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.06Å; R68-Y71 HydrophobicContact CB-CE2 4.2Å; R68-Y71 WeakPolarHBondContact CB-OH 3.49Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 2.84Å; R68-Y71 HydrophobicContact CG-CE1 4Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 VanDerWaalsContact O-CD2 3.32Å; R68-Y71 WeakPolarHBondContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CE2 3.3Å; R68-Y71 PolarHBondContact O-N 3.09Å; R68-M72 HydrophobicContact CB-CE 4.37Å; R68-M72 WeakPolarHBondContact O-CB 3.26Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.49Å; R68-M72 PolarHBondContact O-N 3.43Å |
| 69 | D | 81.4 | Confident | 77.8 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -28.8 | 179.8 | -74.8 | 4.5 | 0 | 0 | 0 | 111.5 | S65 R73 V103 | S65-D69 PolarHBondContact O-N 3.21Å; D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.25Å; D69-V103 HydrophobicContact CB-CG2 4.32Å; D69-V103 WeakPolarHBondContact O-CG1 3.29Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å |
| 70 | Q | 82.4 | Confident | 78.9 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.9 | -53.8 | 178.8 | -177.2 | 174.3 | -32.1 | 0 | 0 | 111.9 | M67 R68 M72 R73 T74 | M67-Q70 WeakPolarHBondContact O-CB 3.21Å; M67-Q70 PolarHBondContact O-N 3.05Å; R68-Q70 PolarHBondContact O-N 3.38Å; Q70-M72 VanDerWaalsContact C-N 3.34Å; Q70-M72 PolarHBondContact O-N 3.28Å; Q70-R73 WeakPolarHBondContact O-CB 3.11Å; Q70-R73 PolarHBondContact O-N 3.22Å; Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.97Å |
| 71 | Y | 83.1 | Confident | 80.6 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -31.8 | -179.7 | 59.1 | -117.8 | 0 | 0 | 0 | 112.9 | V7 V9 L56 T58 M67 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.86Å; V7-Y71 HydrophobicContact CG1-CE2 4.33Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.72Å; T58-Y71 HydrophobicContact CG2-CD1 4.17Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.84Å; T58-Y71 HydrophobicContact CG2-CE2 3.95Å; T58-Y71 HydrophobicContact CG2-CG 4.33Å; M67-Y71 WeakPolarHBondContact O-CD1 3.38Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.06Å; R68-Y71 HydrophobicContact CB-CE2 4.2Å; R68-Y71 WeakPolarHBondContact CB-OH 3.49Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 2.84Å; R68-Y71 HydrophobicContact CG-CE1 4Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 VanDerWaalsContact O-CD2 3.32Å; R68-Y71 WeakPolarHBondContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CE2 3.3Å; R68-Y71 PolarHBondContact O-N 3.09Å; Y71-R73 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-OG1 3.07Å; Y71-G75 PolarHBondContact O-N 2.73Å |
| 72 | M | 87.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 173.7 | -70.9 | -175.7 | -172.8 | 0 | 0 | 110.9 | R68 Q70 F78 Q99 I100 V103 K104 | R68-M72 HydrophobicContact CB-CE 4.37Å; R68-M72 WeakPolarHBondContact O-CB 3.26Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.49Å; R68-M72 PolarHBondContact O-N 3.43Å; Q70-M72 VanDerWaalsContact C-N 3.34Å; Q70-M72 PolarHBondContact O-N 3.28Å; M72-F78 HydrophobicContact CB-CE1 4.41Å; M72-F78 HydrophobicContact CG-CE1 4.26Å; M72-F78 WeakPolarHBondContact O-CZ 3.01Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; M72-I100 HydrophobicContact CE-CG1 4.41Å; M72-I100 HydrophobicContact CG-CG1 4.41Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; M72-V103 HydrophobicContact CB-CB 3.9Å; M72-V103 HydrophobicContact CB-CG1 3.64Å; M72-V103 HydrophobicContact CB-CG2 4.23Å; M72-V103 HydrophobicContact SD-CB 4.5Å; M72-V103 HydrophobicContact SD-CG2 4.06Å; M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.32Å; M72-K104 PolarHBondContact O-NZ 3.41Å |
| 73 | R | 90.7 | Very high | 84.2 | Confident | 166 Ų | 166 | 54.9 Ų | 54.9 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -72.1 | -37 | 176.7 | -166.5 | 179.5 | -55.4 | -119.3 | -2.4 | 112.5 | D69 Q70 Y71 V103 K104 | D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.25Å; Q70-R73 WeakPolarHBondContact O-CB 3.11Å; Q70-R73 PolarHBondContact O-N 3.22Å; Y71-R73 PolarHBondContact O-N 2.96Å; R73-V103 HydrophobicContact CB-CG1 4.06Å; R73-K104 VanDerWaalsContact C-NZ 3.3Å; R73-K104 PolarHBondContact O-NZ 2.93Å |
| 74 | T | 90.1 | Very high | 86.3 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -87.4 | -27.1 | -177.8 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.97Å; Y71-T74 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-OG1 3.07Å |
| 75 | G | 94.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -66.9 | 132.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y71 K104 | Y71-G75 PolarHBondContact O-N 2.73Å; G75-K104 WeakPolarHBondContact O-CE 3.08Å; G75-K104 PolarHBondContact O-NZ 3.19Å | ||
| 76 | E | 97.3 | Very high | 89.8 | Confident | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -88.5 | -25.7 | -179 | -65.2 | -173.9 | -95.6 | 0 | 0 | 113.3 | K5 P110 I163 R167 | K5-E76 HydrophobicContact CB-CG 4.17Å; K5-E76 PolarHBondContact N-OE1 3.42Å; K5-E76 PolarHBondContact O-N 2.77Å; E76-P110 WeakPolarHBondContact O-CG 3.42Å; E76-I163 HydrophobicContact CB-CD1 4.07Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.34Å; E76-R167 VanDerWaalsContact CD-NH2 3.29Å; E76-R167 IonicContact OE1-NH2 2.85Å; E76-R167 PolarHBondContact OE1-NH2 3.23Å; E76-R167 IonicContact OE2-CZ 3.36Å; E76-R167 IonicContact OE2-NE 3.7Å; E76-R167 PolarHBondContact OE2-NE 3.45Å; E76-R167 IonicContact OE2-NH2 3.48Å; E76-R167 PolarHBondContact OE2-NH2 2.98Å |
| 77 | G | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K5 V7 P110 | K5-G77 PolarHBondContact O-N 2.62Å; V7-G77 PolarHBondContact N-O 3.26Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å |
| 78 | F | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.9 | -170.8 | -58.5 | -93.7 | 0 | 0 | 0 | 112.2 | 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 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.24Å; V7-F78 HydrophobicContact CG2-CD1 4.41Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.59Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; M72-F78 HydrophobicContact CB-CE1 4.41Å; M72-F78 HydrophobicContact CG-CE1 4.26Å; M72-F78 WeakPolarHBondContact O-CZ 3.01Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.84Å; F78-I100 HydrophobicContact CD1-CG2 4.34Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.61Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.11Å; F78-I100 HydrophobicContact CE1-CG2 4.32Å; F78-I100 HydrophobicContact CE2-CG2 3.6Å; F78-I100 HydrophobicContact CG-CD1 3.6Å; F78-I100 HydrophobicContact CG-CG1 4.08Å; F78-I100 HydrophobicContact CG-CG2 4.02Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; F78-V109 HydrophobicContact CD2-CG1 3.67Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; F78-P110 PolarHBondContact N-O 2.94Å; F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.56Å; F78-M111 WeakPolarHBondContact O-CA 3.24Å; F78-V112 PolarHBondContact O-N 2.97Å |
| 79 | L | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.3 | 163.9 | -72.6 | 172.1 | 0 | 0 | 0 | 108.5 | V7 V8 V9 V81 V112 V114 A155 F156 L159 | V7-L79 PolarHBondContact O-N 3.31Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.26Å; V9-L79 WeakPolarHBondContact CG2-O 3.48Å; V9-L79 PolarHBondContact N-O 3.38Å; V9-L79 VanDerWaalsContact O-O 3.1Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V112 HydrophobicContact CD2-CB 3.86Å; L79-V112 HydrophobicContact CD2-CG1 4.12Å; L79-V114 HydrophobicContact CB-CG2 4.48Å; L79-V114 HydrophobicContact CD2-CG2 3.64Å; L79-A155 HydrophobicContact CD2-CB 4.3Å; L79-F156 HydrophobicContact CD1-CD1 3.45Å; L79-F156 VanDerWaalsContact CD1-CD1 3.45Å; L79-F156 HydrophobicContact CD1-CD2 4.19Å; L79-F156 HydrophobicContact CD1-CE1 3.32Å; L79-F156 HydrophobicContact CD1-CE2 4.09Å; L79-F156 HydrophobicContact CD1-CG 3.9Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; L79-L159 HydrophobicContact CD2-CB 4.31Å; L79-L159 HydrophobicContact CD2-CD2 4.21Å; L79-L159 HydrophobicContact CG-CD2 3.81Å |
| 80 | C | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 98.2 | 176.6 | -65 | 0 | 0 | 0 | 0 | 108.7 | I93 V112 L113 V114 | C80-I93 HydrophobicContact CB-CD1 4.18Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; C80-V112 PolarHBondContact N-O 3.4Å; C80-L113 HydrophobicContact CB-CD1 4.37Å; C80-V114 PolarHBondContact O-N 3.26Å |
| 81 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.2 | -170.3 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.58Å; V9-V81 PolarHBondContact O-N 2.61Å; G10-V81 WeakPolarHBondContact CA-O 3.23Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; K16-V81 HydrophobicContact CG-CB 4.29Å; K16-V81 HydrophobicContact CG-CG2 4.47Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.98Å |
| 82 | F | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 167.5 | 164.8 | 72.9 | -82.7 | 0 | 0 | 0 | 109.7 | I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 F141 | F82-I84 HydrophobicContact CE2-CG2 4.19Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CE2 4.44Å; F82-F90 HydrophobicContact CE2-CG 4.35Å; F82-F90 HydrophobicContact CG-CB 4.14Å; F82-F90 AromaticContact CG-CD2 3.88Å; F82-F90 HydrophobicContact CG-CD2 3.88Å; F82-F90 AromaticContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CE2 4.07Å; F82-I93 HydrophobicContact CB-CD1 4.02Å; F82-I93 HydrophobicContact CB-CG1 4.05Å; F82-I93 HydrophobicContact CD1-CD1 4.49Å; F82-I93 HydrophobicContact CD1-CG1 4.27Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.98Å; F82-L113 HydrophobicContact CE1-CD2 4.24Å; F82-L113 HydrophobicContact CE1-CG 3.97Å; F82-V114 WeakPolarHBondContact CD1-O 3.16Å; F82-V114 PolarHBondContact N-O 3.11Å; F82-G115 VanDerWaalsContact CE1-CA 3.49Å; F82-N116 PolarHBondContact O-N 3.36Å; F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.39Å; 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 3.9Å; F82-F141 HydrophobicContact CE1-CE2 3.9Å; F82-F141 AromaticContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CZ 4.4Å |
| 83 | A | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.08Å; A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.06Å; A83-S89 PolarHBondContact N-OG 2.89Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.47Å; A83-K117 HydrophobicContact CB-CD 4Å; A83-K117 HydrophobicContact CB-CG 4.25Å |
| 84 | I | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.8 | -176.2 | 62.2 | 142.8 | 0 | 0 | 0 | 113.9 | F82 N116 K117 C118 R123 T124 V125 | F82-I84 HydrophobicContact CE2-CG2 4.19Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 2.96Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 VanDerWaalsContact CG1-O 3.29Å; I84-K117 WeakPolarHBondContact CG1-O 3.18Å; I84-C118 HydrophobicContact CD1-CB 4.49Å; I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.2Å; I84-T124 PolarHBondContact O-N 2.64Å; I84-T124 PolarHBondContact O-OG1 3.28Å; I84-V125 PolarHBondContact O-N 2.94Å |
| 85 | N | 97.5 | Very high | 96.9 | Very high | 51 Ų | 51 | 34.4 Ų | 34.4 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 11.5 | 177 | 73.3 | -33.9 | 0 | 0 | 0 | 113.2 | A83 L120 S122 T124 | A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.08Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.16Å; N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.4Å; N85-T124 VanDerWaalsContact C-OG1 3.31Å |
| 86 | N | 96.8 | Very high | 96.8 | Very high | 61 Ų | 61 | 34.9 Ų | 34.9 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | trans | -138.3 | 96.6 | -179.8 | -178.1 | -14.8 | 0 | 0 | 0 | 110.6 | A83 K88 S89 F90 T124 | A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.06Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 2.91Å; N86-K88 WeakPolarHBondContact OD1-CB 3.22Å; N86-K88 PolarHBondContact OD1-N 2.86Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; N86-S89 PolarHBondContact O-N 3.2Å; N86-S89 PolarHBondContact O-OG 3.47Å; N86-S89 PolarHBondContact OD1-N 3.01Å; N86-S89 VanDerWaalsContact OD1-N 3.09Å; N86-F90 PolarHBondContact O-N 3.24Å; N86-T124 PolarHBondContact N-OG1 3.13Å | ||
| 87 | T | 97.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 36% | 0.362 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 180 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | S89 F90 E91 T124 | T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.33Å; T87-F90 WeakPolarHBondContact O-CB 3.4Å; T87-F90 PolarHBondContact O-N 2.98Å; T87-E91 PolarHBondContact O-N 3Å; T87-E91 VanDerWaalsContact O-N 3.08Å; T87-T124 PolarHBondContact N-OG1 2.89Å; T87-T124 WeakPolarHBondContact OG1-CB 3.48Å; T87-T124 PolarHBondContact OG1-OG1 2.97Å |
| 88 | K | 96.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 37 Ų | 37 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.5 | -179 | 54.9 | 178.4 | 144.2 | 0 | 111.4 | N86 F90 E91 D92 | N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 2.91Å; N86-K88 WeakPolarHBondContact OD1-CB 3.22Å; N86-K88 PolarHBondContact OD1-N 2.86Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-F90 PolarHBondContact O-N 2.86Å; K88-E91 PolarHBondContact O-N 3.16Å; K88-D92 WeakPolarHBondContact CE-OD1 3.47Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.04Å; K88-D92 IonicContact NZ-OD2 3.88Å; K88-D92 PolarHBondContact O-N 2.95Å |
| 89 | S | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -28 | 176.7 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | F82 A83 N86 T87 | F82-S89 WeakPolarHBondContact CB-O 3.4Å; A83-S89 PolarHBondContact N-OG 2.89Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 PolarHBondContact O-N 3.2Å; N86-S89 PolarHBondContact O-OG 3.47Å; N86-S89 PolarHBondContact OD1-N 3.01Å; N86-S89 VanDerWaalsContact OD1-N 3.09Å; T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.33Å |
| 90 | F | 98.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 38 Ų | 38 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.2 | -39.9 | 175.8 | 177.8 | -109.5 | 0 | 0 | 0 | 111.9 | F82 N86 T87 K88 D92 I93 V125 A130 L133 | F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CE2 4.44Å; F82-F90 HydrophobicContact CE2-CG 4.35Å; F82-F90 HydrophobicContact CG-CB 4.14Å; F82-F90 AromaticContact CG-CD2 3.88Å; F82-F90 HydrophobicContact CG-CD2 3.88Å; F82-F90 AromaticContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CE2 4.07Å; N86-F90 PolarHBondContact O-N 3.24Å; T87-F90 WeakPolarHBondContact O-CB 3.4Å; T87-F90 PolarHBondContact O-N 2.98Å; K88-F90 PolarHBondContact O-N 2.86Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.06Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.43Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.12Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.37Å; F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.93Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å |
| 91 | E | 96.2 | Very high | 96 | Very high | 113 Ų | 113 | 38.5 Ų | 38.5 | 53% | 0.528 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 173.7 | -66.2 | 169.3 | -179.8 | 0 | 0 | 111.6 | T87 K88 I93 H94 | T87-E91 PolarHBondContact O-N 3Å; T87-E91 VanDerWaalsContact O-N 3.08Å; K88-E91 PolarHBondContact O-N 3.16Å; E91-I93 PolarHBondContact O-N 3.15Å; E91-H94 PolarHBondContact O-N 3.33Å |
| 92 | D | 95.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -17.3 | -178.5 | -65 | -23.8 | 0 | 0 | 0 | 113.3 | K88 F90 H94 H95 Y96 | K88-D92 WeakPolarHBondContact CE-OD1 3.47Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.04Å; K88-D92 IonicContact NZ-OD2 3.88Å; K88-D92 PolarHBondContact O-N 2.95Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; D92-H94 PolarHBondContact O-N 3.48Å; D92-H95 WeakPolarHBondContact O-CB 3.31Å; D92-H95 PolarHBondContact O-N 3.13Å; D92-Y96 HydrophobicContact CB-CD2 4.44Å; D92-Y96 HydrophobicContact CB-CE2 4.1Å; D92-Y96 WeakPolarHBondContact O-CD2 3.4Å; D92-Y96 PolarHBondContact O-N 3.06Å; D92-Y96 VanDerWaalsContact O-N 3.16Å |
| 93 | I | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -38.1 | 175.7 | -66.8 | -55.8 | 0 | 0 | 0 | 111.8 | C80 F82 F90 E91 H95 Y96 R97 L113 L133 Y137 | C80-I93 HydrophobicContact CB-CD1 4.18Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; F82-I93 HydrophobicContact CB-CD1 4.02Å; F82-I93 HydrophobicContact CB-CG1 4.05Å; F82-I93 HydrophobicContact CD1-CD1 4.49Å; F82-I93 HydrophobicContact CD1-CG1 4.27Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.06Å; E91-I93 PolarHBondContact O-N 3.15Å; I93-H95 VanDerWaalsContact C-N 3.28Å; I93-H95 PolarHBondContact O-N 3.43Å; I93-Y96 PolarHBondContact O-N 2.92Å; I93-R97 WeakPolarHBondContact O-CB 3.34Å; I93-R97 PolarHBondContact O-N 2.76Å; I93-L113 HydrophobicContact CB-CD1 4.5Å; I93-L113 HydrophobicContact CD1-CD1 4.28Å; I93-L113 HydrophobicContact CG1-CD1 4.06Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; I93-L133 HydrophobicContact CG2-CD2 4.37Å; I93-Y137 HydrophobicContact CG2-CE2 4.25Å |
| 94 | H | 95.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.4 | -175.8 | 67 | 0 | 0 | 0 | 110.9 | E91 D92 R97 E98 Y137 | E91-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-N 3.48Å; H94-R97 PolarHBondContact O-N 2.97Å; H94-E98 IonicContact CE1-OE1 2.86Å; H94-E98 WeakPolarHBondContact O-CG 3.33Å; H94-E98 PolarHBondContact O-N 2.62Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.96Å; H94-Y137 PolarHBondContact ND1-OH 2.8Å |
| 95 | H | 93.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 179.2 | -171.2 | 62.7 | 0 | 0 | 0 | 112.3 | D92 I93 R97 E98 Q99 | D92-H95 WeakPolarHBondContact O-CB 3.31Å; D92-H95 PolarHBondContact O-N 3.13Å; I93-H95 VanDerWaalsContact C-N 3.28Å; I93-H95 PolarHBondContact O-N 3.43Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.48Å; H95-E98 PolarHBondContact O-N 3.24Å; H95-Q99 PolarHBondContact CD2-NE2 2.9Å; H95-Q99 PolarHBondContact CE1-NE2 3.37Å; H95-Q99 PolarHBondContact NE2-NE2 3.15Å; H95-Q99 WeakPolarHBondContact O-CG 3.31Å; H95-Q99 PolarHBondContact O-N 3.24Å |
| 96 | Y | 93.2 | Very high | 95 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 177 | -72.2 | -71 | 0 | 0 | 0 | 112.1 | V9 G10 A11 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 4.13Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.47Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.87Å; A11-Y96 WeakPolarHBondContact CA-OH 3.47Å; A11-Y96 PolarHBondContact N-OH 3.15Å; D92-Y96 HydrophobicContact CB-CD2 4.44Å; D92-Y96 HydrophobicContact CB-CE2 4.1Å; D92-Y96 WeakPolarHBondContact O-CD2 3.4Å; D92-Y96 PolarHBondContact O-N 3.06Å; D92-Y96 VanDerWaalsContact O-N 3.16Å; I93-Y96 PolarHBondContact O-N 2.92Å; Y96-Q99 PolarHBondContact O-N 3.23Å; Y96-I100 WeakPolarHBondContact O-CD1 3.41Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.12Å; Y96-I100 PolarHBondContact O-N 2.99Å |
| 97 | R | 95.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.9 | 179.1 | -177 | 176 | -84.3 | 16.1 | 112 | I93 H94 H95 Q99 I100 K101 M111 | I93-R97 WeakPolarHBondContact O-CB 3.34Å; I93-R97 PolarHBondContact O-N 2.76Å; H94-R97 PolarHBondContact O-N 2.97Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.48Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.97Å; R97-I100 PolarHBondContact O-N 3.36Å; R97-K101 VanDerWaalsContact CZ-NZ 3.35Å; R97-K101 WeakPolarHBondContact O-CG 3.21Å; R97-K101 PolarHBondContact O-N 2.77Å; R97-M111 HydrophobicContact CG-CE 4.11Å; R97-M111 HydrophobicContact CG-SD 4Å |
| 98 | E | 94.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | -179.9 | -68.4 | -50.5 | 114.2 | 0 | 0 | 111.7 | H94 H95 K101 R102 | H94-E98 IonicContact CE1-OE1 2.86Å; H94-E98 WeakPolarHBondContact O-CG 3.33Å; H94-E98 PolarHBondContact O-N 2.62Å; H95-E98 PolarHBondContact O-N 3.24Å; E98-K101 PolarHBondContact O-N 2.8Å; E98-R102 WeakPolarHBondContact O-CB 3.17Å; E98-R102 PolarHBondContact O-N 3.2Å |
| 99 | Q | 91.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 173.5 | -72.7 | -172.8 | -6.1 | 0 | 0 | 112.1 | M72 H95 Y96 R97 K101 R102 V103 | M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; H95-Q99 PolarHBondContact CD2-NE2 2.9Å; H95-Q99 PolarHBondContact CE1-NE2 3.37Å; H95-Q99 PolarHBondContact NE2-NE2 3.15Å; H95-Q99 WeakPolarHBondContact O-CG 3.31Å; H95-Q99 PolarHBondContact O-N 3.24Å; Y96-Q99 PolarHBondContact O-N 3.23Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.97Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.81Å; Q99-R102 PolarHBondContact O-N 2.77Å; Q99-V103 WeakPolarHBondContact O-CG2 3.46Å; Q99-V103 PolarHBondContact O-N 3.13Å |
| 100 | I | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 178.2 | -69.4 | 160.2 | 0 | 0 | 0 | 110.3 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.02Å; M72-I100 HydrophobicContact CE-CG1 4.41Å; M72-I100 HydrophobicContact CG-CG1 4.41Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.84Å; F78-I100 HydrophobicContact CD1-CG2 4.34Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.61Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.11Å; F78-I100 HydrophobicContact CE1-CG2 4.32Å; F78-I100 HydrophobicContact CE2-CG2 3.6Å; F78-I100 HydrophobicContact CG-CD1 3.6Å; F78-I100 HydrophobicContact CG-CG1 4.08Å; F78-I100 HydrophobicContact CG-CG2 4.02Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; Y96-I100 WeakPolarHBondContact O-CD1 3.41Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.12Å; Y96-I100 PolarHBondContact O-N 2.99Å; R97-I100 PolarHBondContact O-N 3.36Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.4Å; I100-V103 PolarHBondContact O-N 2.84Å; I100-K104 HydrophobicContact CG2-CG 4.19Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.3Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 2.61Å; I100-V109 HydrophobicContact CG2-CB 4.35Å; I100-V109 HydrophobicContact CG2-CG1 3.76Å; I100-M111 HydrophobicContact CB-CE 4.06Å; I100-M111 HydrophobicContact CD1-SD 4.31Å; I100-M111 HydrophobicContact CG2-CE 3.64Å |
| 101 | K | 95.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 179.2 | -74.5 | -168.3 | 158.9 | -159.9 | 0 | 112.4 | R97 E98 Q99 K104 D105 S106 E107 M111 | R97-K101 VanDerWaalsContact CZ-NZ 3.35Å; R97-K101 WeakPolarHBondContact O-CG 3.21Å; R97-K101 PolarHBondContact O-N 2.77Å; E98-K101 PolarHBondContact O-N 2.8Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.81Å; K101-K104 PolarHBondContact O-N 3.16Å; K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 3.36Å; K101-S106 PolarHBondContact O-N 3.3Å; K101-E107 WeakPolarHBondContact CE-O 3.35Å; K101-E107 PolarHBondContact NZ-O 2.86Å; K101-E107 IonicContact NZ-OE2 3.51Å; K101-E107 PolarHBondContact NZ-OE2 3.24Å; K101-M111 HydrophobicContact CG-CE 4.18Å |
| 102 | R | 94.5 | Very high | 94.8 | Very high | 160 Ų | 160 | 49.2 Ų | 49.2 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.2 | -46.3 | 178 | -174.6 | -174.2 | 69.6 | -149.1 | 0.4 | 111.9 | E98 Q99 I100 D105 | E98-R102 WeakPolarHBondContact O-CB 3.17Å; E98-R102 PolarHBondContact O-N 3.2Å; Q99-R102 PolarHBondContact O-N 2.77Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.4Å; R102-D105 PolarHBondContact O-N 2.86Å |
| 103 | V | 93 | Very high | 95 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.4 | -34.4 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 4.32Å; D69-V103 WeakPolarHBondContact O-CG1 3.29Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å; M72-V103 HydrophobicContact CB-CB 3.9Å; M72-V103 HydrophobicContact CB-CG1 3.64Å; M72-V103 HydrophobicContact CB-CG2 4.23Å; M72-V103 HydrophobicContact SD-CB 4.5Å; M72-V103 HydrophobicContact SD-CG2 4.06Å; R73-V103 HydrophobicContact CB-CG1 4.06Å; Q99-V103 WeakPolarHBondContact O-CG2 3.46Å; Q99-V103 PolarHBondContact O-N 3.13Å; I100-V103 PolarHBondContact O-N 2.84Å; V103-D105 VanDerWaalsContact C-N 3.3Å |
| 104 | K | 93.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.2 | -15 | 175.7 | -72.8 | -53.9 | -159.6 | -165.4 | 0 | 114.4 | M72 R73 G75 I100 K101 S106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.32Å; M72-K104 PolarHBondContact O-NZ 3.41Å; R73-K104 VanDerWaalsContact C-NZ 3.3Å; R73-K104 PolarHBondContact O-NZ 2.93Å; G75-K104 WeakPolarHBondContact O-CE 3.08Å; G75-K104 PolarHBondContact O-NZ 3.19Å; I100-K104 HydrophobicContact CG2-CG 4.19Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.3Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 2.61Å; K101-K104 PolarHBondContact O-N 3.16Å; K104-S106 PolarHBondContact O-N 3.44Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.78Å |
| 105 | D | 94.3 | Very high | 95.2 | Very high | 154 Ų | 154 | 43 Ų | 43 | 82% | 0.824 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 45.6 | -170 | -166.3 | 32.1 | 0 | 0 | 0 | 111.1 | K101 R102 V103 | K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 3.36Å; R102-D105 PolarHBondContact O-N 2.86Å; V103-D105 VanDerWaalsContact C-N 3.3Å |
| 106 | S | 93.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | trans | -154.7 | 136.4 | -173.9 | -161.2 | 0 | 0 | 0 | 0 | 113.2 | K101 K104 V109 | K101-S106 PolarHBondContact O-N 3.3Å; K104-S106 PolarHBondContact O-N 3.44Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å | ||
| 107 | E | 91.9 | Very high | 95.7 | Very high | 142 Ų | 142 | 41 Ų | 41 | 66% | 0.664 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -81 | -22.8 | 174.9 | -68.5 | -58.7 | 124.4 | 0 | 0 | 113.5 | K101 | K101-E107 WeakPolarHBondContact CE-O 3.35Å; K101-E107 PolarHBondContact NZ-O 2.86Å; K101-E107 IonicContact NZ-OE2 3.51Å; K101-E107 PolarHBondContact NZ-OE2 3.24Å |
| 108 | D | 93.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | trans | -109.9 | 74.6 | -175.2 | -170.8 | 24 | 0 | 0 | 0 | 108.4 | Y166 | D108-Y166 HydrophobicContact CB-CE2 4.31Å; D108-Y166 WeakPolarHBondContact O-CD2 3.27Å; D108-Y166 WeakPolarHBondContact O-CE2 3.48Å | ||
| 109 | V | 97 | Very high | 95.8 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | trans | -106.4 | 131.7 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | F78 I100 K104 S106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.67Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; I100-V109 HydrophobicContact CG2-CB 4.35Å; I100-V109 HydrophobicContact CG2-CG1 3.76Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.78Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å; V109-M111 HydrophobicContact CB-CE 3.69Å; V109-M111 HydrophobicContact CG1-CE 4.08Å; V109-M111 HydrophobicContact CG2-CE 4.49Å; V109-M111 WeakPolarHBondContact O-CG 2.94Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 98.4 | Very high | 96 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | trans | -58.5 | 118.3 | 176.3 | -25.5 | 35.2 | 0 | 0 | 0 | 111.7 | E76 G77 F78 L159 E162 I163 Y166 | E76-P110 WeakPolarHBondContact O-CG 3.42Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.94Å; P110-L159 HydrophobicContact CB-CD1 4.35Å; P110-E162 HydrophobicContact CB-CB 4.07Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; P110-Y166 HydrophobicContact CG-CD1 4.08Å; P110-Y166 HydrophobicContact CG-CG 3.83Å | ||
| 111 | M | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.5 | 176.4 | -52 | -176.7 | -156.3 | 0 | 0 | 110.9 | F78 R97 I100 K101 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.56Å; F78-M111 WeakPolarHBondContact O-CA 3.24Å; R97-M111 HydrophobicContact CG-CE 4.11Å; R97-M111 HydrophobicContact CG-SD 4Å; I100-M111 HydrophobicContact CB-CE 4.06Å; I100-M111 HydrophobicContact CD1-SD 4.31Å; I100-M111 HydrophobicContact CG2-CE 3.64Å; K101-M111 HydrophobicContact CG-CE 4.18Å; V109-M111 HydrophobicContact CB-CE 3.69Å; V109-M111 HydrophobicContact CG1-CE 4.08Å; V109-M111 HydrophobicContact CG2-CE 4.49Å; V109-M111 WeakPolarHBondContact O-CG 2.94Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.18Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; M111-P140 WeakPolarHBondContact O-CD 3.26Å |
| 112 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 131.6 | 168.6 | 171 | 0 | 0 | 0 | 0 | 108.4 | F78 L79 C80 V114 P140 I142 L159 E162 | F78-V112 PolarHBondContact O-N 2.97Å; L79-V112 HydrophobicContact CD2-CB 3.86Å; L79-V112 HydrophobicContact CD2-CG1 4.12Å; C80-V112 PolarHBondContact N-O 3.4Å; V112-V114 HydrophobicContact CG1-CG2 4.12Å; V112-P140 HydrophobicContact CG1-CB 4.39Å; V112-P140 HydrophobicContact CG2-CB 4.23Å; V112-P140 HydrophobicContact CG2-CG 4.14Å; V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.49Å; V112-L159 HydrophobicContact CG2-CB 3.97Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.31Å |
| 113 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.7 | 172.9 | -176 | 64.5 | 0 | 0 | 0 | 109.6 | C80 F82 I93 A130 L133 A134 I139 P140 F141 I142 | C80-L113 HydrophobicContact CB-CD1 4.37Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.98Å; F82-L113 HydrophobicContact CE1-CD2 4.24Å; F82-L113 HydrophobicContact CE1-CG 3.97Å; I93-L113 HydrophobicContact CB-CD1 4.5Å; I93-L113 HydrophobicContact CD1-CD1 4.28Å; I93-L113 HydrophobicContact CG1-CD1 4.06Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; L113-A130 WeakPolarHBondContact CD2-O 3.46Å; L113-L133 HydrophobicContact CD2-CD2 4.42Å; L113-A134 HydrophobicContact CB-CB 4.35Å; L113-A134 HydrophobicContact CD2-CB 3.93Å; L113-I139 HydrophobicContact CB-CD1 4.05Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; L113-P140 PolarHBondContact N-O 3.01Å; L113-F141 HydrophobicContact CB-CB 4.49Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.84Å; L113-F141 HydrophobicContact CD2-CE2 4.43Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.38Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; L113-I142 PolarHBondContact O-N 3.41Å |
| 114 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.1 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L19 L79 C80 V81 F82 V112 I142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.06Å; L79-V114 HydrophobicContact CB-CG2 4.48Å; L79-V114 HydrophobicContact CD2-CG2 3.64Å; C80-V114 PolarHBondContact O-N 3.26Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; F82-V114 WeakPolarHBondContact CD1-O 3.16Å; F82-V114 PolarHBondContact N-O 3.11Å; V112-V114 HydrophobicContact CG1-CG2 4.12Å; V114-I142 WeakPolarHBondContact CA-O 3.15Å; V114-T144 HydrophobicContact CG1-CG2 3.77Å; V114-T144 VanDerWaalsContact CG1-OG1 3.3Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; V114-A155 HydrophobicContact CG2-CB 4.1Å |
| 115 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 96 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F82 I142 E143 T144 | F82-G115 VanDerWaalsContact CE1-CA 3.49Å; G115-I142 PolarHBondContact N-O 3.19Å; G115-E143 CarbonylContact O-C 3.36Å; G115-E143 VanDerWaalsContact O-CA 3.31Å; G115-E143 WeakPolarHBondContact O-CA 2.85Å; G115-T144 PolarHBondContact O-N 3.32Å |
| 116 | N | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 166.5 | -176.3 | -165 | 30 | 0 | 0 | 0 | 112.7 | V14 L19 V81 F82 A83 I84 T144 A146 | V14-N116 PolarHBondContact O-ND2 2.91Å; L19-N116 HydrophobicContact CD1-CB 4.34Å; V81-N116 HydrophobicContact CG1-CB 3.98Å; F82-N116 PolarHBondContact O-N 3.36Å; A83-N116 WeakPolarHBondContact CA-O 3.47Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 2.96Å; N116-T144 CarbonylContact C-O 3.45Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 PolarHBondContact OD1-O 3.32Å; N116-T144 PolarHBondContact OD1-OG1 3.12Å; N116-T144 VanDerWaalsContact OD1-OG1 3.13Å; N116-A146 PolarHBondContact OD1-N 3.01Å |
| 117 | K | 97.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | trans | 66.3 | 33.3 | -179.6 | -44.8 | -170.8 | -172.2 | -177.4 | 0 | 113.4 | G13 A83 I84 D119 L120 T144 | G13-K117 WeakPolarHBondContact O-CE 3.43Å; G13-K117 PolarHBondContact O-NZ 3.46Å; A83-K117 HydrophobicContact CB-CD 4Å; A83-K117 HydrophobicContact CB-CG 4.25Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 VanDerWaalsContact CG1-O 3.29Å; I84-K117 WeakPolarHBondContact CG1-O 3.18Å; K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.16Å; K117-D119 VanDerWaalsContact O-N 3.09Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.16Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.95Å; K117-T144 PolarHBondContact N-O 3.36Å | ||
| 118 | C | 97.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.8 | 178.5 | 70 | 0 | 0 | 0 | 0 | 114.2 | I84 L120 E143 T144 Q150 | I84-C118 HydrophobicContact CD1-CB 4.49Å; C118-L120 VanDerWaalsContact C-N 3.32Å; C118-E143 HydrophobicContact CB-CB 4.19Å; C118-T144 PolarHBondContact N-O 2.78Å; C118-T144 VanDerWaalsContact N-O 3.13Å; C118-T144 PolarHBondContact SG-O 2.78Å; C118-Q150 PolarHBondContact SG-OE1 3.42Å; C118-Q150 VanDerWaalsContact SG-OE1 3.33Å |
| 119 | D | 96.6 | Very high | 97 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18 | 171.5 | 58.2 | -74.1 | 0 | 0 | 0 | 113.9 | K117 S145 T148 | K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.16Å; K117-D119 VanDerWaalsContact O-N 3.09Å; D119-S145 WeakPolarHBondContact OD1-CB 3.32Å; D119-S145 PolarHBondContact OD1-OG 3.03Å; D119-T148 HydrophobicContact CB-CG2 4.06Å |
| 120 | L | 94.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | trans | -81.5 | 136.7 | -179 | -63.4 | -179 | 0 | 0 | 0 | 111.5 | N85 K117 C118 S122 | N85-L120 WeakPolarHBondContact ND2-CD1 3.16Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.16Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.95Å; C118-L120 VanDerWaalsContact C-N 3.32Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.92Å | ||
| 121 | P | 92.3 | Very high | 97 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 84% | 0.838 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -73.7 | -20.3 | 177.7 | 30.1 | -35.3 | 0 | 0 | 0 | 113 | R123 | P121-R123 PolarHBondContact O-N 3.27Š|
| 122 | S | 93.4 | Very high | 97 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | trans | -80.9 | 53.1 | -176.8 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | N85 L120 T124 | N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.4Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.92Å; S122-T124 PolarHBondContact O-N 3.09Å | ||
| 123 | R | 96.9 | Very high | 97 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 30% | 0.302 | 28% | 0.281 | S | S | . | . | trans | -67.3 | 129.2 | 176.9 | -179.1 | 178.9 | -74.4 | -98.8 | 11.3 | 110.9 | I84 P121 V125 T127 E143 | I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.2Å; P121-R123 PolarHBondContact O-N 3.27Å; R123-V125 VanDerWaalsContact CD-O 3.31Å; R123-V125 WeakPolarHBondContact CD-O 3.47Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 2.87Å; R123-T127 PolarHBondContact NH1-OG1 3.4Å; R123-T127 VanDerWaalsContact NH1-OG1 3.16Å; R123-T127 PolarHBondContact NH2-OG1 3.08Å; R123-E143 IonicContact CZ-OE1 2.69Å; R123-E143 VanDerWaalsContact CZ-OE1 3.3Å; R123-E143 IonicContact NH1-OE1 3.84Å; R123-E143 PolarHBondContact NH1-OE1 2.79Å; R123-E143 VanDerWaalsContact NH2-CD 3.26Å; R123-E143 IonicContact NH2-OE1 3.62Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 IonicContact NH2-OE2 2.64Å; R123-E143 PolarHBondContact NH2-OE2 2.88Å | ||
| 124 | T | 97.1 | Very high | 97 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | trans | -117.5 | -12.9 | 172.2 | 67.7 | 0 | 0 | 0 | 0 | 113 | I84 N85 N86 T87 S122 | I84-T124 PolarHBondContact O-N 2.64Å; I84-T124 PolarHBondContact O-OG1 3.28Å; N85-T124 VanDerWaalsContact C-OG1 3.31Å; N86-T124 PolarHBondContact N-OG1 3.13Å; T87-T124 PolarHBondContact N-OG1 2.89Å; T87-T124 WeakPolarHBondContact OG1-CB 3.48Å; T87-T124 PolarHBondContact OG1-OG1 2.97Å; S122-T124 PolarHBondContact O-N 3.09Å | ||
| 125 | V | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -115.8 | 116.9 | 175 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | F82 I84 F90 R123 | F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.39Å; F82-V125 HydrophobicContact CZ-CG1 4.34Å; I84-V125 PolarHBondContact O-N 2.94Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.43Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.12Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; R123-V125 VanDerWaalsContact CD-O 3.31Å; R123-V125 WeakPolarHBondContact CD-O 3.47Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 2.87Å |
| 126 | D | 96.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | trans | -71.6 | 143 | -179.2 | -70.5 | -28 | 0 | 0 | 0 | 111.2 | K128 Q129 A130 | D126-K128 PolarHBondContact O-N 2.98Å; D126-K128 VanDerWaalsContact O-N 3.16Å; D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.47Å; D126-Q129 PolarHBondContact O-N 2.91Å; D126-A130 PolarHBondContact O-N 3.07Å; D126-A130 VanDerWaalsContact O-N 3.14Å | ||
| 127 | T | 96.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 67.3 Ų | 67.3 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.9 | -38.1 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | R123 A130 Q131 F141 E143 | R123-T127 PolarHBondContact NH1-OG1 3.4Å; R123-T127 VanDerWaalsContact NH1-OG1 3.16Å; R123-T127 PolarHBondContact NH2-OG1 3.08Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.39Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.31Å; T127-Q131 PolarHBondContact O-N 2.59Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; T127-E143 PolarHBondContact OG1-OE1 2.86Å |
| 128 | K | 97.5 | Very high | 96.9 | Very high | 143 Ų | 143 | 67.5 Ų | 67.5 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -172.9 | -178.6 | 176.8 | -173.5 | 0 | 112 | D126 A130 Q131 D132 | D126-K128 PolarHBondContact O-N 2.98Å; D126-K128 VanDerWaalsContact O-N 3.16Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.13Å; K128-Q131 PolarHBondContact O-N 2.88Å; K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 3.21Å |
| 129 | Q | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 178.4 | -67.6 | 173.1 | -51.3 | 0 | 0 | 111.1 | D126 D132 L133 | D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.47Å; D126-Q129 PolarHBondContact O-N 2.91Å; Q129-D132 PolarHBondContact O-N 3.37Å; Q129-L133 PolarHBondContact O-N 3.22Å |
| 130 | A | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | 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 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.37Å; L113-A130 WeakPolarHBondContact CD2-O 3.46Å; D126-A130 PolarHBondContact O-N 3.07Å; D126-A130 VanDerWaalsContact O-N 3.14Å; T127-A130 PolarHBondContact O-N 3.3Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.13Å; A130-L133 PolarHBondContact O-N 3.37Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 2.86Å; A130-F141 HydrophobicContact CB-CD1 4.41Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.38Å |
| 131 | Q | 98.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 172.9 | -75.4 | 172.2 | -6.7 | 0 | 0 | 112.4 | T127 K128 L133 A134 R135 F141 | T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.39Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.31Å; T127-Q131 PolarHBondContact O-N 2.59Å; K128-Q131 PolarHBondContact O-N 2.88Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.32Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.31Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.99Å; Q131-F141 HydrophobicContact CG-CD1 3.57Å; Q131-F141 HydrophobicContact CG-CE1 3.98Å |
| 132 | D | 98.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.9 | -71.1 | -20.4 | 0 | 0 | 0 | 111.1 | K128 Q129 R135 S136 | K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 3.21Å; Q129-D132 PolarHBondContact O-N 3.37Å; D132-R135 PolarHBondContact O-N 3.39Å; D132-R135 IonicContact OD1-CZ 2.78Å; D132-R135 IonicContact OD1-NE 3.3Å; D132-R135 IonicContact OD1-NH2 3.88Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; D132-S136 PolarHBondContact O-N 2.89Å |
| 133 | L | 98.1 | Very high | 97.8 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.5 | -172.7 | 67.1 | 0 | 0 | 0 | 112.3 | F90 I93 L113 Q129 A130 Q131 R135 S136 Y137 | F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.93Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å; I93-L133 HydrophobicContact CG2-CD2 4.37Å; L113-L133 HydrophobicContact CD2-CD2 4.42Å; Q129-L133 PolarHBondContact O-N 3.22Å; A130-L133 PolarHBondContact O-N 3.37Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.12Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 PolarHBondContact O-OG 2.96Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.18Å; L133-Y137 HydrophobicContact CD1-CE2 3.71Å; L133-Y137 HydrophobicContact CD2-CE2 4.06Å; L133-Y137 HydrophobicContact CG-CD2 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.66Å; L133-Y137 PolarHBondContact O-N 2.88Å; L133-Y137 VanDerWaalsContact O-N 3.08Å |
| 134 | A | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L113 A130 Q131 Y137 G138 I139 F141 | L113-A134 HydrophobicContact CB-CB 4.35Å; L113-A134 HydrophobicContact CD2-CB 3.93Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 2.86Å; Q131-A134 PolarHBondContact O-N 3.32Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 3.2Å; A134-G138 PolarHBondContact O-N 3.01Å; A134-I139 HydrophobicContact CB-CG1 4.36Å; A134-I139 WeakPolarHBondContact CB-O 3.44Å; A134-I139 PolarHBondContact O-N 2.74Å; A134-F141 HydrophobicContact CB-CB 3.57Å |
| 135 | R | 98.1 | Very high | 97.9 | Very high | 172 Ų | 172 | 51 Ų | 51 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 173.7 | -77.6 | -169.4 | -71.9 | -166.6 | -3.6 | 112.4 | Q131 D132 L133 Y137 G138 | Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.31Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.99Å; D132-R135 PolarHBondContact O-N 3.39Å; D132-R135 IonicContact OD1-CZ 2.78Å; D132-R135 IonicContact OD1-NE 3.3Å; D132-R135 IonicContact OD1-NH2 3.88Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.12Å; R135-Y137 PolarHBondContact O-N 2.97Å; R135-G138 PolarHBondContact O-N 3.48Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 136 | S | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 60% | 0.601 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.7 | -28.7 | 178 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | D132 L133 | D132-S136 PolarHBondContact O-N 2.89Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 PolarHBondContact O-OG 2.96Å |
| 137 | Y | 97.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.9 | -14.1 | 173.2 | -65.6 | -18.6 | 0 | 0 | 0 | 114.5 | I93 H94 L133 A134 R135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.25Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.96Å; H94-Y137 PolarHBondContact ND1-OH 2.8Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.18Å; L133-Y137 HydrophobicContact CD1-CE2 3.71Å; L133-Y137 HydrophobicContact CD2-CE2 4.06Å; L133-Y137 HydrophobicContact CG-CD2 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.66Å; L133-Y137 PolarHBondContact O-N 2.88Å; L133-Y137 VanDerWaalsContact O-N 3.08Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 3.2Å; R135-Y137 PolarHBondContact O-N 2.97Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å |
| 138 | G | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 66% | 0.66 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 30.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A134 R135 | A134-G138 PolarHBondContact O-N 3.01Å; R135-G138 PolarHBondContact O-N 3.48Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | I | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | trans | -121.8 | 156.4 | -177.2 | 67.1 | 178.5 | 0 | 0 | 0 | 111.5 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.18Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; L113-I139 HydrophobicContact CB-CD1 4.05Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; A134-I139 HydrophobicContact CB-CG1 4.36Å; A134-I139 WeakPolarHBondContact CB-O 3.44Å; A134-I139 PolarHBondContact O-N 2.74Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å | ||
| 140 | P | 98.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | trans | -65.1 | 150.5 | 174.4 | -20.8 | 33.5 | 0 | 0 | 0 | 112.5 | M111 V112 L113 E162 | M111-P140 WeakPolarHBondContact O-CD 3.26Å; V112-P140 HydrophobicContact CG1-CB 4.39Å; V112-P140 HydrophobicContact CG2-CB 4.23Å; V112-P140 HydrophobicContact CG2-CG 4.14Å; L113-P140 PolarHBondContact N-O 3.01Å; P140-E162 HydrophobicContact CG-CG 3.91Å | ||
| 141 | F | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 58 Ų | 58 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.7 | 170.7 | 171.4 | -119.7 | 0 | 0 | 0 | 111.2 | F82 L113 T127 A130 Q131 A134 E143 | F82-F141 AromaticContact CE1-CE2 3.9Å; F82-F141 HydrophobicContact CE1-CE2 3.9Å; F82-F141 AromaticContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CZ 4.4Å; L113-F141 HydrophobicContact CB-CB 4.49Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.84Å; L113-F141 HydrophobicContact CD2-CE2 4.43Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.38Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; A130-F141 HydrophobicContact CB-CD1 4.41Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.38Å; Q131-F141 HydrophobicContact CG-CD1 3.57Å; Q131-F141 HydrophobicContact CG-CE1 3.98Å; A134-F141 HydrophobicContact CB-CB 3.57Å; F141-E143 HydrophobicContact CE1-CG 3.73Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.36Å |
| 142 | I | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.2 | 179.6 | -61.8 | 172.3 | 0 | 0 | 0 | 109 | V112 L113 V114 G115 T144 R151 D154 A155 | V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.49Å; L113-I142 PolarHBondContact O-N 3.41Å; V114-I142 WeakPolarHBondContact CA-O 3.15Å; G115-I142 PolarHBondContact N-O 3.19Å; I142-T144 HydrophobicContact CG2-CG2 3.81Å; I142-R151 HydrophobicContact CG2-CB 4.02Å; I142-D154 HydrophobicContact CD1-CB 4.29Å; I142-D154 WeakPolarHBondContact CD1-O 3.5Å; I142-D154 HydrophobicContact CG2-CB 4.44Å; I142-A155 HydrophobicContact CG2-CB 4.42Å |
| 143 | E | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.9 | 167.1 | -67.8 | -166.8 | 157.7 | 0 | 0 | 109.8 | G115 C118 R123 T127 F141 | G115-E143 CarbonylContact O-C 3.36Å; G115-E143 VanDerWaalsContact O-CA 3.31Å; G115-E143 WeakPolarHBondContact O-CA 2.85Å; C118-E143 HydrophobicContact CB-CB 4.19Å; R123-E143 IonicContact CZ-OE1 2.69Å; R123-E143 VanDerWaalsContact CZ-OE1 3.3Å; R123-E143 IonicContact NH1-OE1 3.84Å; R123-E143 PolarHBondContact NH1-OE1 2.79Å; R123-E143 VanDerWaalsContact NH2-CD 3.26Å; R123-E143 IonicContact NH2-OE1 3.62Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 IonicContact NH2-OE2 2.64Å; R123-E143 PolarHBondContact NH2-OE2 2.88Å; T127-E143 PolarHBondContact OG1-OE1 2.86Å; F141-E143 HydrophobicContact CE1-CG 3.73Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.36Å |
| 144 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.6 | -175.5 | 63 | 0 | 0 | 0 | 0 | 111.8 | V114 G115 N116 K117 C118 I142 Q150 R151 A155 | V114-T144 HydrophobicContact CG1-CG2 3.77Å; V114-T144 VanDerWaalsContact CG1-OG1 3.3Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; G115-T144 PolarHBondContact O-N 3.32Å; N116-T144 CarbonylContact C-O 3.45Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 PolarHBondContact OD1-O 3.32Å; N116-T144 PolarHBondContact OD1-OG1 3.12Å; N116-T144 VanDerWaalsContact OD1-OG1 3.13Å; K117-T144 PolarHBondContact N-O 3.36Å; C118-T144 PolarHBondContact N-O 2.78Å; C118-T144 VanDerWaalsContact N-O 3.13Å; C118-T144 PolarHBondContact SG-O 2.78Å; I142-T144 HydrophobicContact CG2-CG2 3.81Å; T144-Q150 WeakPolarHBondContact CA-O 3.25Å; T144-R151 HydrophobicContact CG2-CB 4.4Å; T144-R151 WeakPolarHBondContact CG2-O 3.47Å; T144-A155 HydrophobicContact CG2-CB 4.02Å |
| 145 | S | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 109.9 | 164.1 | 169.5 | 0 | 0 | 0 | 0 | 108.6 | D119 K147 T148 R149 Q150 | D119-S145 WeakPolarHBondContact OD1-CB 3.32Å; D119-S145 PolarHBondContact OD1-OG 3.03Å; S145-K147 PolarHBondContact O-N 3.48Å; S145-K147 PolarHBondContact OG-N 3.47Å; S145-T148 WeakPolarHBondContact CB-OG1 3.43Å; S145-T148 PolarHBondContact O-N 3.14Å; S145-T148 PolarHBondContact OG-N 3.43Å; S145-T148 VanDerWaalsContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 2.94Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.45Å; S145-R149 PolarHBondContact O-N 3.43Å; S145-Q150 PolarHBondContact N-O 3.32Å; S145-Q150 PolarHBondContact O-N 3.01Å; S145-Q150 VanDerWaalsContact O-N 3.15Å |
| 146 | A | 95.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.72Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.2Å; Q22-A146 WeakPolarHBondContact CG-O 3.45Å; Q22-A146 PolarHBondContact NE2-O 2.76Å; F28-A146 HydrophobicContact CD2-CB 4.31Å; F28-A146 HydrophobicContact CE2-CB 4.18Å; N116-A146 PolarHBondContact OD1-N 3.01Å |
| 147 | K | 95.1 | Very high | 97.6 | Very high | 119 Ų | 119 | 44.1 Ų | 44.1 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -46.2 | -179.3 | -175.1 | 174.1 | -175.8 | 173.3 | 0 | 113 | F28 S145 | F28-K147 HydrophobicContact CD1-CB 4.44Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.12Å; F28-K147 HydrophobicContact CE1-CD 4.35Å; F28-K147 HydrophobicContact CE1-CG 3.89Å; F28-K147 HydrophobicContact CE2-CB 4.09Å; F28-K147 HydrophobicContact CZ-CB 3.97Å; F28-K147 HydrophobicContact CZ-CG 4.23Å; S145-K147 PolarHBondContact O-N 3.48Å; S145-K147 PolarHBondContact OG-N 3.47Å |
| 148 | T | 95.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.1 | -177.6 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 4.06Å; S145-T148 WeakPolarHBondContact CB-OG1 3.43Å; S145-T148 PolarHBondContact O-N 3.14Å; S145-T148 PolarHBondContact OG-N 3.43Å; S145-T148 VanDerWaalsContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 2.94Å; T148-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 2.95Å |
| 149 | R | 95.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 40.1 Ų | 40.1 | 40% | 0.404 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 10.4 | -171.1 | -167.8 | 172 | 167.7 | -164.9 | -2.5 | 113.9 | Q22 N26 S145 R151 V152 E153 | Q22-R149 HydrophobicContact CG-CB 4.11Å; Q22-R149 HydrophobicContact CG-CG 3.99Å; N26-R149 PolarHBondContact OD1-NH1 2.93Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.45Å; S145-R149 PolarHBondContact O-N 3.43Å; R149-R151 PolarHBondContact O-N 3.39Å; R149-V152 PolarHBondContact O-N 3.03Å; R149-E153 IonicContact CZ-OE1 3.46Å; R149-E153 IonicContact NE-OE1 3.62Å; R149-E153 IonicContact NH2-OE1 3.37Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å |
| 150 | Q | 97.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 39 Ų | 39 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -58.4 | 117.3 | 179.4 | -177.6 | 176 | 3.7 | 0 | 0 | 110.7 | C118 T144 S145 T148 V152 | C118-Q150 PolarHBondContact SG-OE1 3.42Å; C118-Q150 VanDerWaalsContact SG-OE1 3.33Å; T144-Q150 WeakPolarHBondContact CA-O 3.25Å; S145-Q150 PolarHBondContact N-O 3.32Å; S145-Q150 PolarHBondContact O-N 3.01Å; S145-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 2.95Å; Q150-V152 PolarHBondContact O-N 3.41Å |
| 151 | R | 97.9 | Very high | 97.7 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.1 | 173.2 | -55.7 | -169.6 | 76.1 | -173.5 | -0.6 | 115.5 | I142 T144 R149 D154 A155 | I142-R151 HydrophobicContact CG2-CB 4.02Å; T144-R151 HydrophobicContact CG2-CB 4.4Å; T144-R151 WeakPolarHBondContact CG2-O 3.47Å; R149-R151 PolarHBondContact O-N 3.39Å; R151-D154 HydrophobicContact CB-CB 4.12Å; R151-D154 WeakPolarHBondContact CG-OD2 3.38Å; R151-D154 IonicContact CZ-OD2 3.7Å; R151-D154 IonicContact NE-OD2 2.91Å; R151-D154 PolarHBondContact NE-OD2 2.84Å; R151-D154 IonicContact NH2-OD2 2.96Å; R151-D154 PolarHBondContact NH2-OD2 3.4Å; R151-D154 PolarHBondContact O-N 3.23Å; R151-A155 PolarHBondContact O-N 3.03Å |
| 152 | V | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 110 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG1 4.27Å; L19-V152 HydrophobicContact CD2-CG2 3.83Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å; L23-V152 HydrophobicContact CB-CG1 4.13Å; R149-V152 PolarHBondContact O-N 3.03Å; Q150-V152 PolarHBondContact O-N 3.41Å; V152-D154 PolarHBondContact O-N 2.87Å; V152-A155 WeakPolarHBondContact O-CB 3.07Å; V152-A155 PolarHBondContact O-N 3.37Å; V152-F156 HydrophobicContact CG1-CD2 4.39Å; V152-F156 HydrophobicContact CG1-CE2 4.1Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å |
| 153 | E | 97.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.7 | -71.5 | 174.1 | -167.6 | 0 | 0 | 112.2 | L23 R149 A155 F156 Y157 | L23-E153 HydrophobicContact CD1-CG 3.79Å; R149-E153 IonicContact CZ-OE1 3.46Å; R149-E153 IonicContact NE-OE1 3.62Å; R149-E153 IonicContact NH2-OE1 3.37Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å; E153-A155 PolarHBondContact O-N 3.42Å; E153-F156 PolarHBondContact O-N 2.98Å; E153-Y157 HydrophobicContact CB-CD2 4.29Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 WeakPolarHBondContact O-CD1 3.32Å; E153-Y157 PolarHBondContact O-N 2.99Å |
| 154 | D | 98.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.3 | -41.6 | 177.6 | -66.3 | -5 | 0 | 0 | 0 | 112 | I142 R151 V152 S158 | I142-D154 HydrophobicContact CD1-CB 4.29Å; I142-D154 WeakPolarHBondContact CD1-O 3.5Å; I142-D154 HydrophobicContact CG2-CB 4.44Å; R151-D154 HydrophobicContact CB-CB 4.12Å; R151-D154 WeakPolarHBondContact CG-OD2 3.38Å; R151-D154 IonicContact CZ-OD2 3.7Å; R151-D154 IonicContact NE-OD2 2.91Å; R151-D154 PolarHBondContact NE-OD2 2.84Å; R151-D154 IonicContact NH2-OD2 2.96Å; R151-D154 PolarHBondContact NH2-OD2 3.4Å; R151-D154 PolarHBondContact O-N 3.23Å; V152-D154 PolarHBondContact O-N 2.87Å; D154-S158 WeakPolarHBondContact O-CB 3.37Å; D154-S158 PolarHBondContact O-N 3.43Å |
| 155 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -52.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 V114 I142 T144 R151 V152 E153 L159 | L79-A155 HydrophobicContact CD2-CB 4.3Å; V114-A155 HydrophobicContact CG2-CB 4.1Å; I142-A155 HydrophobicContact CG2-CB 4.42Å; T144-A155 HydrophobicContact CG2-CB 4.02Å; R151-A155 PolarHBondContact O-N 3.03Å; V152-A155 WeakPolarHBondContact O-CB 3.07Å; V152-A155 PolarHBondContact O-N 3.37Å; E153-A155 PolarHBondContact O-N 3.42Å; A155-L159 PolarHBondContact O-N 3.43Å |
| 156 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | 179.4 | -69.1 | -90.5 | 0 | 0 | 0 | 112 | L6 V8 L19 L23 I55 L79 V152 E153 L159 V160 | L6-F156 HydrophobicContact CD1-CD1 3.95Å; V8-F156 HydrophobicContact CG2-CE1 4.08Å; V8-F156 HydrophobicContact CG2-CZ 4.39Å; L19-F156 HydrophobicContact CB-CE2 4.32Å; L19-F156 HydrophobicContact CB-CZ 4.43Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.12Å; L23-F156 HydrophobicContact CD1-CD2 4.16Å; L23-F156 HydrophobicContact CD2-CB 4.1Å; L23-F156 HydrophobicContact CD2-CD1 3.82Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.11Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.27Å; I55-F156 HydrophobicContact CD1-CD1 3.95Å; I55-F156 HydrophobicContact CD1-CE1 3.85Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å; L79-F156 HydrophobicContact CD1-CD1 3.45Å; L79-F156 VanDerWaalsContact CD1-CD1 3.45Å; L79-F156 HydrophobicContact CD1-CD2 4.19Å; L79-F156 HydrophobicContact CD1-CE1 3.32Å; L79-F156 HydrophobicContact CD1-CE2 4.09Å; L79-F156 HydrophobicContact CD1-CG 3.9Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; V152-F156 HydrophobicContact CG1-CD2 4.39Å; V152-F156 HydrophobicContact CG1-CE2 4.1Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å; E153-F156 PolarHBondContact O-N 2.98Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 2.96Å; F156-V160 PolarHBondContact O-N 2.98Å; F156-V160 VanDerWaalsContact O-N 3.09Å |
| 157 | Y | 98.4 | Very high | 97.3 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 14% | 0.137 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.7 | -35.9 | -178 | -65.2 | 0.7 | 0 | 0 | 0 | 111.4 | 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 4.24Å; I46-Y157 HydrophobicContact CD1-CD1 3.39Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.19Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.34Å; I46-Y157 HydrophobicContact CG1-CG 3.87Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; L53-Y157 HydrophobicContact CD1-CE1 4.44Å; E153-Y157 HydrophobicContact CB-CD2 4.29Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 WeakPolarHBondContact O-CD1 3.32Å; E153-Y157 PolarHBondContact O-N 2.99Å; Y157-L159 VanDerWaalsContact C-N 3.27Å; Y157-L159 PolarHBondContact O-N 3.3Å; Y157-V160 PolarHBondContact O-N 3.38Å; Y157-R161 WeakPolarHBondContact O-CG 3.39Å; Y157-R161 PolarHBondContact O-N 2.97Å |
| 158 | S | 98.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 170.6 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | D154 R161 E162 | D154-S158 WeakPolarHBondContact O-CB 3.37Å; D154-S158 PolarHBondContact O-N 3.43Å; S158-R161 WeakPolarHBondContact O-CB 3.05Å; S158-R161 PolarHBondContact O-N 3.45Å; S158-E162 PolarHBondContact O-N 3.31Å |
| 159 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.4 | -178.1 | 60.6 | 0 | 0 | 0 | 112.3 | L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.27Å; L6-L159 HydrophobicContact CD1-CD2 4.49Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.42Å; L79-L159 HydrophobicContact CD2-CB 4.31Å; L79-L159 HydrophobicContact CD2-CD2 4.21Å; L79-L159 HydrophobicContact CG-CD2 3.81Å; P110-L159 HydrophobicContact CB-CD1 4.35Å; V112-L159 HydrophobicContact CG2-CB 3.97Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; A155-L159 PolarHBondContact O-N 3.43Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 2.96Å; Y157-L159 VanDerWaalsContact C-N 3.27Å; Y157-L159 PolarHBondContact O-N 3.3Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.84Å; L159-E162 PolarHBondContact O-N 3.07Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.06Å |
| 160 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | Y4 L6 I46 L53 F156 Y157 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.78Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.73Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; L53-V160 HydrophobicContact CD2-CG2 3.67Å; F156-V160 PolarHBondContact O-N 2.98Å; F156-V160 VanDerWaalsContact O-N 3.09Å; Y157-V160 PolarHBondContact O-N 3.38Å; V160-I163 PolarHBondContact O-N 3.39Å; V160-R164 WeakPolarHBondContact O-CG 3.42Å; V160-R164 PolarHBondContact O-N 3.2Å |
| 161 | R | 98.4 | Very high | 96 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 175 | -66.9 | 173.9 | -170.9 | 126 | -2 | 111.9 | D47 Y157 S158 L159 I163 R164 L165 | D47-R161 IonicContact OD1-CZ 2.77Å; D47-R161 IonicContact OD1-NE 3.73Å; D47-R161 PolarHBondContact OD1-NE 3.25Å; D47-R161 IonicContact OD1-NH2 2.61Å; D47-R161 PolarHBondContact OD1-NH2 3.11Å; D47-R161 IonicContact OD2-CZ 2.74Å; D47-R161 IonicContact OD2-NE 3.49Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 2.86Å; Y157-R161 WeakPolarHBondContact O-CG 3.39Å; Y157-R161 PolarHBondContact O-N 2.97Å; S158-R161 WeakPolarHBondContact O-CB 3.05Å; S158-R161 PolarHBondContact O-N 3.45Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.84Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.04Å; R161-R164 WeakPolarHBondContact O-CB 3.32Å; R161-R164 PolarHBondContact O-N 2.59Å; R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 2.85Å |
| 162 | E | 98.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 174.3 | -68.9 | -53.7 | 125.5 | 0 | 0 | 112.1 | P110 V112 P140 S158 L159 R164 L165 Y166 | P110-E162 HydrophobicContact CB-CB 4.07Å; V112-E162 HydrophobicContact CG2-CG 4.31Å; P140-E162 HydrophobicContact CG-CG 3.91Å; S158-E162 PolarHBondContact O-N 3.31Å; L159-E162 PolarHBondContact O-N 3.07Å; E162-R164 PolarHBondContact O-N 3.34Å; E162-L165 PolarHBondContact O-N 3.01Å; E162-Y166 WeakPolarHBondContact O-CB 3.37Å; E162-Y166 PolarHBondContact O-N 3.08Å |
| 163 | I | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.3 | -63.7 | 165.4 | 0 | 0 | 0 | 110.8 | Y4 L6 E76 P110 L159 V160 R161 Y166 R167 | Y4-I163 HydrophobicContact CD1-CB 4.31Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.46Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; L6-I163 HydrophobicContact CD2-CD1 3.42Å; L6-I163 VanDerWaalsContact CD2-CD1 3.42Å; E76-I163 HydrophobicContact CB-CD1 4.07Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.34Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.06Å; V160-I163 PolarHBondContact O-N 3.39Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.04Å; I163-Y166 PolarHBondContact O-N 3.36Å; I163-R167 HydrophobicContact CG2-CG 4.42Å; I163-R167 WeakPolarHBondContact O-CG 3.15Å; I163-R167 PolarHBondContact O-N 3.37Å |
| 164 | R | 97.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 175.7 | -72.4 | 169.5 | 172.6 | 172.1 | -3.9 | 111.1 | Y4 I46 D47 E49 V160 R161 E162 Y166 R167 L168 | Y4-R164 HydrophobicContact CE1-CG 4.3Å; Y4-R164 WeakPolarHBondContact OH-CG 3.35Å; Y4-R164 PolarHBondContact OH-NE 3.46Å; I46-R164 PolarHBondContact O-NH1 3.46Å; I46-R164 PolarHBondContact O-NH2 3.38Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å; D47-R164 IonicContact OD2-NH1 3.73Å; D47-R164 PolarHBondContact OD2-NH1 3.46Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.32Å; E49-R164 PolarHBondContact OE2-NE 2.96Å; E49-R164 IonicContact OE2-NH2 3.51Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å; V160-R164 WeakPolarHBondContact O-CG 3.42Å; V160-R164 PolarHBondContact O-N 3.2Å; R161-R164 WeakPolarHBondContact O-CB 3.32Å; R161-R164 PolarHBondContact O-N 2.59Å; E162-R164 PolarHBondContact O-N 3.34Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.39Å; R164-R167 PolarHBondContact O-N 3.3Å; R164-L168 WeakPolarHBondContact O-CG 3.15Å; R164-L168 PolarHBondContact O-N 3.08Å |
| 165 | L | 96.2 | Very high | 91.7 | Very high | 81 Ų | 81 | 64 Ų | 64 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.6 | -71.3 | 174.6 | 0 | 0 | 0 | 111.9 | R161 E162 L168 K169 | R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 2.85Å; E162-L165 PolarHBondContact O-N 3.01Å; L165-L168 PolarHBondContact O-N 3.48Å; L165-K169 WeakPolarHBondContact O-CG 3.44Å; L165-K169 PolarHBondContact O-N 2.95Å |
| 166 | Y | 95.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 177.4 | 175.9 | -104.6 | 0 | 0 | 0 | 112.7 | D108 P110 E162 I163 R164 L168 K169 K170 | D108-Y166 HydrophobicContact CB-CE2 4.31Å; D108-Y166 WeakPolarHBondContact O-CD2 3.27Å; D108-Y166 WeakPolarHBondContact O-CE2 3.48Å; P110-Y166 HydrophobicContact CG-CD1 4.08Å; P110-Y166 HydrophobicContact CG-CG 3.83Å; E162-Y166 WeakPolarHBondContact O-CB 3.37Å; E162-Y166 PolarHBondContact O-N 3.08Å; I163-Y166 PolarHBondContact O-N 3.36Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.39Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.08Å; Y166-K169 PolarHBondContact O-N 3.04Å; Y166-K170 HydrophobicContact CE1-CD 3.77Å; Y166-K170 HydrophobicContact CE1-CG 4.47Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 PolarHBondContact O-N 3.36Å; Y166-K170 WeakPolarHBondContact OH-CE 3.42Å; Y166-K170 PolarHBondContact OH-NZ 3.34Å |
| 167 | R | 94.3 | Very high | 87.6 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.6 | -71.5 | 178.4 | -179.5 | 175.9 | 3.6 | 111.3 | E3 E76 I163 R164 K170 L171 | E3-R167 PolarHBondContact O-NH2 2.69Å; E76-R167 VanDerWaalsContact CD-NH2 3.29Å; E76-R167 IonicContact OE1-NH2 2.85Å; E76-R167 PolarHBondContact OE1-NH2 3.23Å; E76-R167 IonicContact OE2-CZ 3.36Å; E76-R167 IonicContact OE2-NE 3.7Å; E76-R167 PolarHBondContact OE2-NE 3.45Å; E76-R167 IonicContact OE2-NH2 3.48Å; E76-R167 PolarHBondContact OE2-NH2 2.98Å; I163-R167 HydrophobicContact CG2-CG 4.42Å; I163-R167 WeakPolarHBondContact O-CG 3.15Å; I163-R167 PolarHBondContact O-N 3.37Å; R164-R167 PolarHBondContact O-N 3.3Å; R167-K170 PolarHBondContact O-N 3.09Å; R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 3.18Å |
| 168 | L | 92.4 | Very high | 85.3 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 58% | 0.581 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 176 | -70.5 | 171 | 0 | 0 | 0 | 112.5 | R164 L165 Y166 K170 L171 S172 | R164-L168 WeakPolarHBondContact O-CG 3.15Å; R164-L168 PolarHBondContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.48Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.08Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.18Å; L168-S172 PolarHBondContact O-N 3.31Å; L168-S172 VanDerWaalsContact O-N 3.16Å |
| 169 | K | 91.1 | Very high | 83.3 | Confident | 98 Ų | 98 | 91.1 Ų | 91.1 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.5 | -72.9 | 174.4 | -173.6 | 173.1 | 0 | 111.7 | L165 Y166 S172 K173 | L165-K169 WeakPolarHBondContact O-CG 3.44Å; L165-K169 PolarHBondContact O-N 2.95Å; Y166-K169 PolarHBondContact O-N 3.04Å; K169-S172 PolarHBondContact O-N 3.16Å; K169-S172 PolarHBondContact O-OG 3.46Å; K169-K173 PolarHBondContact O-N 3.24Å |
| 170 | K | 87.4 | Confident | 81.1 | Confident | 105 Ų | 105 | 97 Ų | 97 | 46% | 0.457 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.4 | -89.9 | -170.5 | 158.5 | 173.4 | 0 | 112.5 | Y166 R167 L168 S172 K173 E174 | Y166-K170 HydrophobicContact CE1-CD 3.77Å; Y166-K170 HydrophobicContact CE1-CG 4.47Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 PolarHBondContact O-N 3.36Å; Y166-K170 WeakPolarHBondContact OH-CE 3.42Å; Y166-K170 PolarHBondContact OH-NZ 3.34Å; R167-K170 PolarHBondContact O-N 3.09Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.22Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 2.99Å; K170-K173 PolarHBondContact O-N 3.04Å; K170-K173 VanDerWaalsContact O-N 3.11Å; K170-E174 PolarHBondContact O-N 3.37Å |
| 171 | L | 86.3 | Confident | 79 | Confident | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.6 | -44.7 | 177.3 | -70 | 165.5 | 0 | 0 | 0 | 111.6 | R167 L168 K173 E174 E175 | R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 3.18Å; L171-K173 PolarHBondContact O-N 2.76Å; L171-E174 PolarHBondContact O-N 2.79Å; L171-E175 PolarHBondContact O-N 3.47Å |
| 172 | S | 82.9 | Confident | 76.9 | Confident | 49 Ų | 49 | 107.2 Ų | 107.2 | 34% | 0.343 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -22.7 | 179.9 | 76.1 | 0 | 0 | 0 | 0 | 114.9 | L168 K169 K170 K176 | L168-S172 PolarHBondContact O-N 3.31Å; L168-S172 VanDerWaalsContact O-N 3.16Å; K169-S172 PolarHBondContact O-N 3.16Å; K169-S172 PolarHBondContact O-OG 3.46Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 2.99Å; S172-K176 WeakPolarHBondContact O-CG 3.4Å |
| 173 | K | 77 | Confident | 74.8 | Confident | 142 Ų | 142 | 112.6 Ų | 112.6 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.6 | -37.8 | 177.2 | -74.8 | 180 | -179.8 | 177.5 | 0 | 111.3 | K169 K170 L171 K176 | K169-K173 PolarHBondContact O-N 3.24Å; K170-K173 PolarHBondContact O-N 3.04Å; K170-K173 VanDerWaalsContact O-N 3.11Å; L171-K173 PolarHBondContact O-N 2.76Å; K173-K176 PolarHBondContact O-N 3.47Å |
| 174 | E | 72.6 | Confident | 72.6 | Confident | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.2 | -34.5 | 179.3 | -69.5 | 177.3 | -179.8 | 0 | 0 | 112.4 | K170 L171 K176 T177 | K170-E174 PolarHBondContact O-N 3.37Å; L171-E174 PolarHBondContact O-N 2.79Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.04Å; E174-T177 PolarHBondContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.45Å |
| 175 | E | 66 | Low | 70.3 | Confident | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -23.9 | 175.5 | -69.2 | 178.8 | 149.2 | 0 | 0 | 113.4 | L171 | L171-E175 PolarHBondContact O-N 3.47Š|
| 176 | K | 60.5 | Low | 68.2 | Low | 174 Ų | 174 | 131 Ų | 131 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -10.4 | -179.1 | -70.7 | -180 | -178.6 | 179.8 | 0 | 114 | S172 K173 E174 P178 | S172-K176 WeakPolarHBondContact O-CG 3.4Å; K173-K176 PolarHBondContact O-N 3.47Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.04Å; K176-P178 WeakPolarHBondContact O-CD 3.47Å |
| 177 | T | 50.2 | Low | 66.3 | Low | 95 Ų | 95 | 135.3 Ų | 135.3 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.7 | 116.9 | 172.2 | 18.2 | 0 | 0 | 0 | 0 | 110.3 | E174 R179 | E174-T177 PolarHBondContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.45Å; T177-R179 PolarHBondContact O-N 3.32Å; T177-R179 VanDerWaalsContact O-N 3.11Å |
| 178 | P | 50.7 | Low | 64.4 | Low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -62.6 | 120.2 | 177.2 | 24.9 | -31.4 | 0 | 0 | 0 | 108.8 | K176 C180 | K176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-C180 PolarHBondContact O-N 3.18Å | ||
| 179 | R | 56.8 | Low | 61.9 | Low | 235 Ų | 235 | 143.8 Ų | 143.8 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | -59.4 | 104.8 | 168.7 | -79 | -178.2 | 176.4 | 178.2 | 0.4 | 107.3 | T177 V181 | T177-R179 PolarHBondContact O-N 3.32Å; T177-R179 VanDerWaalsContact O-N 3.11Å; R179-V181 PolarHBondContact O-N 3.22Å | ||
| 180 | C | 53 | Low | 60.5 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -66.3 | 92.6 | 169.2 | -158.8 | 0 | 0 | 0 | 0 | 106.9 | P178 K182 | P178-C180 PolarHBondContact O-N 3.18Å; C180-K182 PolarHBondContact O-N 3.47Å | ||
| 181 | V | 54.8 | Low | 59.1 | Low | 115 Ų | 115 | 148.3 Ų | 148.3 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | -64.4 | 101.3 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 105.9 | R179 L183 | R179-V181 PolarHBondContact O-N 3.22Å; V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.12Å | ||
| 182 | K | 54.3 | Low | 57.6 | Low | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -61 | 95.2 | 167.9 | -73.4 | -176.4 | 178.4 | 179.4 | 0 | 107.1 | C180 K184 | C180-K182 PolarHBondContact O-N 3.47Å; K182-K184 PolarHBondContact O-N 3.04Å | ||
| 183 | L | 54 | Low | 56.1 | Low | 161 Ų | 161 | 156.9 Ų | 156.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -55.6 | 104.1 | 165.8 | -86.7 | 140.9 | 0 | 0 | 0 | 106.8 | V181 K185 | V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.12Å; L183-K185 PolarHBondContact O-N 2.69Å | ||
| 184 | K | 50.4 | Low | 54.8 | Low | 194 Ų | 194 | 157.9 Ų | 157.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -59.2 | 113.2 | 167.1 | -72.8 | -176.5 | 177.3 | -178.8 | 0 | 105.9 | K182 C186 | K182-K184 PolarHBondContact O-N 3.04Å; K184-C186 PolarHBondContact O-N 2.67Å | ||
| 185 | K | 49.2 | Very low | 53.6 | Low | 200 Ų | 200 | 159.7 Ų | 159.7 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 104.9 | 166.7 | -84.2 | -177.9 | 172.4 | -178.3 | 0 | 107.1 | L183 V187 | L183-K185 PolarHBondContact O-N 2.69Å; K185-V187 PolarHBondContact O-N 3.23Å; K185-V187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | C | 52 | Low | 52.7 | Low | 115 Ų | 115 | 159.1 Ų | 159.1 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -63.4 | 107.7 | 159.1 | -79.2 | 0 | 0 | 0 | 0 | 106.9 | K184 V188 | K184-C186 PolarHBondContact O-N 2.67Å; C186-V188 HydrophobicContact CB-CG2 4.45Å; C186-V188 PolarHBondContact O-N 3.27Å | ||
| 187 | V | 57.1 | Low | 52.1 | Low | 134 Ų | 134 | 158 Ų | 158 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | trans | -78.5 | 109.1 | 160.4 | 179.5 | 0 | 0 | 0 | 0 | 105.3 | K185 | K185-V187 PolarHBondContact O-N 3.23Å; K185-V187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | V | 53.9 | Low | 52.3 | Low | 119 Ų | 119 | 163.3 Ų | 163.3 | 72% | 0.721 | 84% | 0.844 | S | S | * | * | trans | -100.7 | 124.7 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 106.7 | C186 | C186-V188 HydrophobicContact CB-CG2 4.45Å; C186-V188 PolarHBondContact O-N 3.27Å | ||
| 189 | M | 40.7 | Very low | 52.4 | Low | 251 Ų | 251 | 167.2 Ų | 167.2 | 100% | 1.236 | 85% | 0.85 | S | S | * | * | trans | 69.2 | 0 | 169 | -74.6 | 177.1 | 160.5 | 0 | 0 | 118.1 |
Retrieved 189 of 189 residues in 720.7 ms
(Link to these results)