| 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 | 86.1 | Confident | 96.1 | Very high | 125 Ų | 125 | 34.2 Ų | 34.2 | 62% | 0.616 | 16% | 0.158 | S | C | * | . | 0 | 140.2 | 0 | 177.2 | 163.4 | 56.3 | 0 | 0 | 108 | Q43 Q50 C51 M52 | M1-Q43 HydrophobicContact CE-CG 4.05Å; M1-Q43 HydrophobicContact SD-CG 3.88Å; M1-Q43 PolarHBondContact SD-NE2 2.93Å; M1-Q50 WeakPolarHBondContact CG-O 3.4Å; M1-Q50 HydrophobicContact SD-CB 3.99Å; M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-CA 3.57Å; M1-M52 HydrophobicContact CE-CB 4.01Å; M1-M52 HydrophobicContact CE-CE 3.92Å | |||
| 2 | R | 94.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 33.3 Ų | 33.3 | 18% | 0.177 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.5 | 179.1 | -178.2 | 168.4 | 176 | 176.6 | 12.4 | 109.9 | Y4 C51 M52 N165 T168 | R2-Y4 HydrophobicContact CB-CE2 4.12Å; R2-Y4 WeakPolarHBondContact CD-OH 3.28Å; R2-Y4 HydrophobicContact CG-CD2 4.42Å; R2-Y4 HydrophobicContact CG-CE1 4.34Å; R2-Y4 HydrophobicContact CG-CE2 3.79Å; R2-C51 WeakPolarHBondContact O-CA 3.38Å; R2-C51 WeakPolarHBondContact O-CB 3.38Å; R2-M52 PolarHBondContact O-N 2.97Å; R2-N165 PolarHBondContact NH1-OD1 3.12Å; R2-T168 VanDerWaalsContact CZ-O 3.25Å; R2-T168 PolarHBondContact NH1-O 3.02Å; R2-T168 PolarHBondContact NH2-O 3.14Å |
| 3 | E | 96.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 32.6 Ų | 32.6 | 46% | 0.463 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.7 | 176.1 | -51 | -163.1 | 140.9 | 0 | 0 | 110.3 | R41 M52 | E3-R41 IonicContact OE1-NH2 2.86Å; E3-R41 PolarHBondContact OE1-NH2 3.31Å; E3-M52 CarbonylContact C-O 3.6Å; E3-M52 VanDerWaalsContact CA-O 3.29Å; E3-M52 WeakPolarHBondContact CA-O 3.29Å; E3-M52 HydrophobicContact CG-CB 4.1Å |
| 4 | Y | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131 | 178.3 | -58.3 | -96.7 | 0 | 0 | 0 | 110 | R2 C51 M52 L53 E54 V161 I164 N165 | R2-Y4 HydrophobicContact CB-CE2 4.12Å; R2-Y4 WeakPolarHBondContact CD-OH 3.28Å; R2-Y4 HydrophobicContact CG-CD2 4.42Å; R2-Y4 HydrophobicContact CG-CE1 4.34Å; R2-Y4 HydrophobicContact CG-CE2 3.79Å; Y4-C51 HydrophobicContact CD2-CB 3.85Å; Y4-C51 HydrophobicContact CE2-CB 3.38Å; Y4-M52 PolarHBondContact N-O 3.34Å; Y4-L53 HydrophobicContact CD2-CD2 3.76Å; Y4-L53 HydrophobicContact CG-CD2 4.07Å; Y4-E54 PolarHBondContact O-N 2.86Å; Y4-V161 HydrophobicContact CD1-CG1 4.18Å; Y4-V161 HydrophobicContact CD2-CG1 4.28Å; Y4-V161 HydrophobicContact CE1-CG1 3.8Å; Y4-V161 HydrophobicContact CE2-CG1 3.91Å; Y4-V161 HydrophobicContact CG-CG1 4.4Å; Y4-V161 HydrophobicContact CG-CG2 4.3Å; Y4-I164 HydrophobicContact CD1-CB 4.1Å; Y4-I164 HydrophobicContact CD1-CD1 3.99Å; Y4-I164 HydrophobicContact CD1-CG2 3.75Å; Y4-I164 HydrophobicContact CE1-CB 4.26Å; Y4-I164 HydrophobicContact CE1-CG2 3.91Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.34Å; Y4-N165 VanDerWaalsContact OH-CG 3.28Å; Y4-N165 PolarHBondContact OH-ND2 3.11Å; Y4-N165 PolarHBondContact OH-OD1 3.47Å |
| 5 | K | 98.3 | Very high | 96 | Very high | 90 Ų | 90 | 29.3 Ų | 29.3 | 39% | 0.391 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.8 | 176.8 | -63.6 | -174.5 | 176 | -169 | 0 | 110.1 | E54 Q76 G77 | K5-E54 CarbonylContact C-O 3.54Å; K5-E54 WeakPolarHBondContact CA-O 3.19Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.35Å; K5-E54 HydrophobicContact CG-CB 4.5Å; K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 PolarHBondContact O-N 3.37Å; K5-G77 PolarHBondContact O-N 3.33Å |
| 6 | L | 98.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.9 | 179.9 | -48.3 | -175.4 | 0 | 0 | 0 | 109.2 | L53 E54 I55 L56 G77 F157 L160 V161 I164 | L6-L53 HydrophobicContact CD1-CB 4.45Å; L6-L53 HydrophobicContact CD1-CD1 4.05Å; L6-L53 HydrophobicContact CD1-CD2 4.37Å; L6-E54 PolarHBondContact N-O 3.1Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.42Å; L6-I55 WeakPolarHBondContact O-CA 3.46Å; L6-L56 PolarHBondContact O-N 2.9Å; L6-G77 WeakPolarHBondContact CA-O 3.22Å; L6-F157 HydrophobicContact CD1-CD1 3.92Å; L6-L160 HydrophobicContact CB-CD2 4.23Å; L6-L160 HydrophobicContact CD1-CD2 4.31Å; L6-L160 HydrophobicContact CD2-CD2 3.78Å; L6-L160 HydrophobicContact CD2-CG 4.01Å; L6-L160 HydrophobicContact CG-CD2 4.32Å; L6-V161 HydrophobicContact CD1-CG2 4.38Å; L6-I164 HydrophobicContact CD2-CD1 3.53Å |
| 7 | V | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.1 | 178.9 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | L9 L56 T58 Y71 G77 F78 L79 | V7-L9 HydrophobicContact CG1-CD1 4.26Å; V7-L9 HydrophobicContact CG1-CD2 3.89Å; V7-L9 HydrophobicContact CG1-CG 3.85Å; V7-L56 HydrophobicContact CG1-CB 4.4Å; V7-L56 HydrophobicContact CG1-CD2 4.31Å; V7-L56 HydrophobicContact CG2-CB 4.42Å; V7-T58 HydrophobicContact CG1-CG2 4.03Å; V7-Y71 HydrophobicContact CG1-CD2 3.89Å; V7-Y71 HydrophobicContact CG1-CE2 4.45Å; V7-Y71 HydrophobicContact CG1-CG 4.36Å; V7-G77 PolarHBondContact N-O 2.86Å; V7-F78 HydrophobicContact CB-CD1 3.8Å; V7-F78 HydrophobicContact CB-CE1 3.88Å; V7-F78 HydrophobicContact CG1-CD1 4.42Å; V7-F78 HydrophobicContact CG1-CE1 4.44Å; V7-F78 HydrophobicContact CG2-CD1 4.36Å; V7-F78 HydrophobicContact CG2-CE1 3.96Å; V7-F78 WeakPolarHBondContact O-CA 3.45Å; V7-L79 PolarHBondContact O-N 3.37Å |
| 8 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.9 | 178.2 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | K16 I55 L56 T58 L79 V81 F157 | V8-K16 HydrophobicContact CB-CB 4.5Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.33Å; V8-K16 HydrophobicContact CG1-CG 3.99Å; V8-I55 HydrophobicContact CG2-CG2 3.78Å; V8-L56 PolarHBondContact N-O 3.49Å; V8-T58 PolarHBondContact O-OG1 3.05Å; V8-L79 HydrophobicContact CG1-CB 4.22Å; V8-L79 HydrophobicContact CG2-CD1 4.12Å; V8-V81 HydrophobicContact CG1-CG2 3.7Å; V8-F157 HydrophobicContact CG2-CE1 4.16Å; V8-F157 HydrophobicContact CG2-CZ 4.4Å |
| 9 | L | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 156 | -174.2 | -59.5 | 167.2 | 0 | 0 | 0 | 111.3 | V7 T58 Y71 M72 F78 L79 L80 V81 L96 I100 | V7-L9 HydrophobicContact CG1-CD1 4.26Å; V7-L9 HydrophobicContact CG1-CD2 3.89Å; V7-L9 HydrophobicContact CG1-CG 3.85Å; L9-T58 HydrophobicContact CD2-CG2 3.8Å; L9-Y71 HydrophobicContact CD1-CE2 4.35Å; L9-Y71 HydrophobicContact CD2-CD2 4.21Å; L9-Y71 HydrophobicContact CD2-CE2 3.41Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.41Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L9-M72 HydrophobicContact CD1-CE 4.27Å; L9-F78 HydrophobicContact CD1-CD1 3.79Å; L9-F78 HydrophobicContact CD1-CE1 4.34Å; L9-L79 PolarHBondContact N-O 3.02Å; L9-L80 HydrophobicContact CB-CD2 3.86Å; L9-L80 HydrophobicContact CD1-CD2 4.21Å; L9-V81 PolarHBondContact O-N 3.37Å; L9-L96 HydrophobicContact CB-CD2 3.53Å; L9-L96 HydrophobicContact CB-CG 4.35Å; L9-L96 HydrophobicContact CD1-CD1 4.32Å; L9-L96 HydrophobicContact CD1-CG 4.46Å; L9-I100 HydrophobicContact CD1-CD1 3.77Å; L9-I100 HydrophobicContact CD1-CG1 4.34Å |
| 10 | G | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 148.9 | 166.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K16 T61 V81 | G10-K16 PolarHBondContact O-NZ 2.68Å; G10-T61 PolarHBondContact O-N 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å | ||
| 11 | S | 95.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -58.8 | 165.1 | -177.5 | -42.8 | 0 | 0 | 0 | 0 | 112.7 | V14 K16 T61 D92 | S11-V14 WeakPolarHBondContact O-CG1 3.09Å; S11-V14 VanDerWaalsContact O-CG2 3.31Å; S11-V14 WeakPolarHBondContact O-CG2 3.48Å; S11-K16 PolarHBondContact O-NZ 3.3Å; S11-K16 VanDerWaalsContact O-NZ 3.1Å; S11-T61 WeakPolarHBondContact CA-OG1 3.39Å; S11-D92 WeakPolarHBondContact OG-CB 3.18Å; S11-D92 PolarHBondContact OG-OD2 3.19Å |
| 12 | G | 93.2 | Very high | 97 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 24% | 0.237 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 143.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V14 E62 | G12-V14 PolarHBondContact O-N 3.49Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE2 2.88Å |
| 13 | G | 94.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 26% | 0.258 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 2.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 2.98Å; G13-Y32 PolarHBondContact N-OH 2.78Å; G13-Y32 VanDerWaalsContact N-OH 3.09Å; G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 2.86Å |
| 14 | V | 97.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -70.4 | -16.6 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | S11 G12 K16 V81 T89 N116 | S11-V14 WeakPolarHBondContact O-CG1 3.09Å; S11-V14 VanDerWaalsContact O-CG2 3.31Å; S11-V14 WeakPolarHBondContact O-CG2 3.48Å; G12-V14 PolarHBondContact O-N 3.49Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.26Å; V14-K16 HydrophobicContact CG2-CG 3.53Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-T89 HydrophobicContact CG1-CG2 3.7Å; V14-N116 PolarHBondContact O-ND2 2.93Å |
| 15 | G | 97.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 14% | 0.144 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 98.5 | 27.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G13 S17 A18 L19 | G13-G15 PolarHBondContact O-N 2.98Å; G15-S17 PolarHBondContact O-N 3.43Å; G15-A18 PolarHBondContact O-N 3.18Å; G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.79Å |
| 16 | K | 97.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 16.7 Ų | 16.7 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.3 | -51.7 | 174.7 | -55.3 | -172.3 | -62.5 | -78.2 | 0 | 112.3 | V8 G10 S11 V14 L19 T20 D57 T58 A59 V81 | V8-K16 HydrophobicContact CB-CB 4.5Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.33Å; V8-K16 HydrophobicContact CG1-CG 3.99Å; G10-K16 PolarHBondContact O-NZ 2.68Å; S11-K16 PolarHBondContact O-NZ 3.3Å; S11-K16 VanDerWaalsContact O-NZ 3.1Å; V14-K16 HydrophobicContact CG2-CD 4.26Å; V14-K16 HydrophobicContact CG2-CG 3.53Å; K16-L19 PolarHBondContact O-N 3.45Å; K16-T20 PolarHBondContact O-N 2.8Å; K16-T20 PolarHBondContact O-OG1 2.9Å; K16-D57 VanDerWaalsContact CB-OD1 3.32Å; K16-D57 WeakPolarHBondContact CB-OD1 3.25Å; K16-T58 WeakPolarHBondContact CE-O 3.4Å; K16-A59 PolarHBondContact NZ-O 2.96Å; K16-V81 HydrophobicContact CG-CB 4.34Å; K16-V81 HydrophobicContact CG-CG2 4.48Å |
| 17 | S | 96.8 | Very high | 97 | Very high | 27 Ų | 27 | 21 Ų | 21 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 179 | -39.7 | 0 | 0 | 0 | 0 | 111.8 | G15 L19 T20 V21 T35 D57 | G15-S17 PolarHBondContact O-N 3.43Å; S17-L19 PolarHBondContact O-N 2.98Å; S17-T20 PolarHBondContact O-N 2.81Å; S17-V21 WeakPolarHBondContact O-CB 3.45Å; S17-V21 VanDerWaalsContact O-CG2 3.32Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.88Å; S17-T35 PolarHBondContact OG-OG1 2.82Å; S17-D57 WeakPolarHBondContact CA-OD2 3.5Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact N-OD1 3.37Å; S17-D57 PolarHBondContact OG-OD2 3.28Å |
| 18 | A | 98.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 22% | 0.223 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G15 Q22 F28 A147 | G15-A18 PolarHBondContact O-N 3.18Å; A18-Q22 WeakPolarHBondContact O-CB 3.4Å; A18-Q22 PolarHBondContact O-N 3.25Å; A18-F28 HydrophobicContact CB-CD2 4.21Å; A18-F28 HydrophobicContact CB-CE2 4.01Å; A18-A147 HydrophobicContact CB-CB 3.62Å |
| 19 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 173.7 | -73.4 | 171.3 | 0 | 0 | 0 | 111.5 | G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 I156 | G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.79Å; K16-L19 PolarHBondContact O-N 3.45Å; S17-L19 PolarHBondContact O-N 2.98Å; L19-Q22 PolarHBondContact O-N 3.49Å; L19-F23 WeakPolarHBondContact O-CB 3.5Å; L19-F23 PolarHBondContact O-N 2.9Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.25Å; L19-V114 HydrophobicContact CD1-CG1 4.1Å; L19-N116 HydrophobicContact CD1-CB 4.18Å; L19-A147 HydrophobicContact CD2-CB 3.96Å; L19-A147 HydrophobicContact CG-CB 4.19Å; L19-V153 HydrophobicContact CD2-CG2 3.88Å; L19-I156 HydrophobicContact CD1-CD1 4.33Å; L19-I156 HydrophobicContact CD2-CD1 4.49Å |
| 20 | T | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -49.1 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | K16 S17 F23 V24 Y40 I55 D57 | K16-T20 PolarHBondContact O-N 2.8Å; K16-T20 PolarHBondContact O-OG1 2.9Å; S17-T20 PolarHBondContact O-N 2.81Å; T20-F23 PolarHBondContact O-N 2.88Å; T20-V24 HydrophobicContact CG2-CG2 4.27Å; T20-V24 WeakPolarHBondContact O-CB 3.38Å; T20-V24 WeakPolarHBondContact O-CG2 3.46Å; T20-V24 PolarHBondContact O-N 2.98Å; T20-Y40 HydrophobicContact CG2-CD2 3.45Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y40 HydrophobicContact CG2-CE2 3.87Å; T20-Y40 HydrophobicContact CG2-CG 3.94Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.78Å; T20-D57 HydrophobicContact CG2-CB 4.37Å |
| 21 | V | 97.2 | Very high | 95.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | S17 F23 V24 Q25 G26 I27 Y40 | S17-V21 WeakPolarHBondContact O-CB 3.45Å; S17-V21 VanDerWaalsContact O-CG2 3.32Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.88Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 2.91Å; V21-V24 PolarHBondContact O-N 2.94Å; V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.49Å; V21-Q25 WeakPolarHBondContact O-CB 3.43Å; V21-Q25 PolarHBondContact O-N 3.49Å; V21-G26 PolarHBondContact O-N 3Å; V21-I27 HydrophobicContact CG1-CD1 4.26Å; V21-I27 HydrophobicContact CG1-CG1 3.69Å; V21-Y40 HydrophobicContact CG2-CE1 4.31Å |
| 22 | Q | 98 | Very high | 94.6 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.1 | -174.3 | 69.5 | -65.2 | 0 | 0 | 111.4 | A18 L19 G26 I27 A147 K150 V153 | A18-Q22 WeakPolarHBondContact O-CB 3.4Å; A18-Q22 PolarHBondContact O-N 3.25Å; L19-Q22 PolarHBondContact O-N 3.49Å; Q22-G26 WeakPolarHBondContact O-CA 3.49Å; Q22-G26 PolarHBondContact O-N 2.95Å; Q22-G26 PolarHBondContact OE1-O 3.21Å; Q22-I27 VanDerWaalsContact CA-O 3.31Å; Q22-I27 WeakPolarHBondContact CA-O 3.39Å; Q22-I27 PolarHBondContact N-O 2.82Å; Q22-I27 PolarHBondContact OE1-O 2.9Å; Q22-I27 VanDerWaalsContact OE1-O 3.11Å; Q22-A147 WeakPolarHBondContact CG-O 3.44Å; Q22-A147 PolarHBondContact NE2-O 3.32Å; Q22-K150 VanDerWaalsContact CD-CG 3.46Å; Q22-K150 HydrophobicContact CG-CG 3.83Å; Q22-K150 VanDerWaalsContact NE2-CE 3.3Å; Q22-V153 HydrophobicContact CB-CG1 4.28Å; Q22-V153 HydrophobicContact CG-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG2 4.24Å |
| 23 | F | 98.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -50.2 | 173.8 | 179.5 | -110.7 | 0 | 0 | 0 | 111.7 | L19 T20 V21 K42 V44 L53 I55 V153 N154 F157 H158 | L19-F23 WeakPolarHBondContact O-CB 3.5Å; L19-F23 PolarHBondContact O-N 2.9Å; T20-F23 PolarHBondContact O-N 2.88Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 2.91Å; F23-K42 HydrophobicContact CD1-CD 3.83Å; F23-K42 HydrophobicContact CE1-CB 4.4Å; F23-K42 HydrophobicContact CE1-CD 3.43Å; F23-K42 VanDerWaalsContact CE1-CD 3.43Å; F23-K42 HydrophobicContact CE2-CD 4.4Å; F23-K42 HydrophobicContact CG-CD 4.46Å; F23-K42 HydrophobicContact CZ-CD 3.77Å; F23-K42 WeakPolarHBondContact O-CE 3.42Å; F23-K42 PolarHBondContact O-NZ 3.32Å; F23-V44 HydrophobicContact CZ-CG1 3.94Å; F23-L53 HydrophobicContact CE1-CD1 3.82Å; F23-L53 HydrophobicContact CZ-CD1 3.84Å; F23-I55 HydrophobicContact CD1-CD1 3.58Å; F23-I55 HydrophobicContact CE1-CD1 3.7Å; F23-V153 HydrophobicContact CB-CG1 3.79Å; F23-N154 WeakPolarHBondContact CD2-OD1 3.47Å; F23-N154 HydrophobicContact CE2-CB 4.4Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.35Å; F23-F157 HydrophobicContact CB-CD2 3.7Å; F23-F157 HydrophobicContact CB-CE2 3.47Å; F23-F157 VanDerWaalsContact CB-CE2 3.47Å; F23-F157 HydrophobicContact CB-CZ 4.28Å; F23-F157 HydrophobicContact CD1-CB 4.41Å; F23-F157 HydrophobicContact CD1-CD1 4.33Å; F23-F157 AromaticContact CD1-CD2 3.73Å; F23-F157 HydrophobicContact CD1-CD2 3.73Å; F23-F157 HydrophobicContact CD1-CE2 4.05Å; F23-F157 AromaticContact CD1-CG 3.91Å; F23-F157 HydrophobicContact CD1-CG 3.91Å; F23-F157 HydrophobicContact CD1-CZ 4.45Å; F23-F157 HydrophobicContact CD2-CB 4.24Å; F23-F157 AromaticContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CE2 4.25Å; F23-F157 HydrophobicContact CD2-CG 4.15Å; F23-F157 HydrophobicContact CE1-CB 4.02Å; F23-F157 HydrophobicContact CE1-CD1 4.43Å; F23-F157 HydrophobicContact CE1-CD2 4.21Å; F23-F157 AromaticContact CE1-CG 3.98Å; F23-F157 HydrophobicContact CE1-CG 3.98Å; F23-F157 HydrophobicContact CE2-CB 3.85Å; F23-F157 HydrophobicContact CE2-CD2 4.06Å; F23-F157 HydrophobicContact CE2-CG 4.22Å; F23-F157 AromaticContact CG-CD2 3.36Å; F23-F157 HydrophobicContact CG-CD2 3.36Å; F23-F157 AromaticContact CG-CE2 3.67Å; F23-F157 HydrophobicContact CG-CE2 3.67Å; F23-F157 AromaticContact CG-CG 3.99Å; F23-F157 HydrophobicContact CG-CG 3.99Å; F23-F157 HydrophobicContact CG-CZ 4.47Å; F23-F157 HydrophobicContact CZ-CB 3.71Å; F23-F157 HydrophobicContact CZ-CD2 4.35Å; F23-F157 HydrophobicContact CZ-CG 4.12Å; F23-H158 AromaticContact CE2-NE2 3.97Å |
| 24 | V | 97.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.2 | -41.6 | -171.8 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | T20 V21 Y40 K42 I55 | T20-V24 HydrophobicContact CG2-CG2 4.27Å; T20-V24 WeakPolarHBondContact O-CB 3.38Å; T20-V24 WeakPolarHBondContact O-CG2 3.46Å; T20-V24 PolarHBondContact O-N 2.98Å; V21-V24 PolarHBondContact O-N 2.94Å; V24-Y40 HydrophobicContact CB-CD1 4.47Å; V24-Y40 HydrophobicContact CG1-CD1 4.17Å; V24-Y40 HydrophobicContact CG2-CD1 4.41Å; V24-Y40 HydrophobicContact CG2-CG 4.27Å; V24-K42 HydrophobicContact CG2-CB 4.41Å; V24-I55 HydrophobicContact CG2-CD1 4.11Å |
| 25 | Q | 96.2 | Very high | 93.4 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -116.7 | -13.1 | -168.6 | -58 | -179.4 | 4.7 | 0 | 0 | 113.3 | V21 I27 | V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.49Å; V21-Q25 WeakPolarHBondContact O-CB 3.43Å; V21-Q25 PolarHBondContact O-N 3.49Å; Q25-I27 HydrophobicContact CB-CD1 4.42Å; Q25-I27 HydrophobicContact CB-CG1 4.01Å; Q25-I27 PolarHBondContact O-N 2.85Å |
| 26 | G | 96.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 70.8 | 19.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V21 Q22 K150 | V21-G26 PolarHBondContact O-N 3Å; Q22-G26 WeakPolarHBondContact O-CA 3.49Å; Q22-G26 PolarHBondContact O-N 2.95Å; Q22-G26 PolarHBondContact OE1-O 3.21Å; G26-K150 WeakPolarHBondContact O-CE 3.26Å; G26-K150 PolarHBondContact O-NZ 2.95Å |
| 27 | I | 95.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 68.1 Ų | 68.1 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | trans | -118.5 | 152.2 | 176.2 | 68.6 | 177.1 | 0 | 0 | 0 | 111.7 | V21 Q22 Q25 | V21-I27 HydrophobicContact CG1-CD1 4.26Å; V21-I27 HydrophobicContact CG1-CG1 3.69Å; Q22-I27 VanDerWaalsContact CA-O 3.31Å; Q22-I27 WeakPolarHBondContact CA-O 3.39Å; Q22-I27 PolarHBondContact N-O 2.82Å; Q22-I27 PolarHBondContact OE1-O 2.9Å; Q22-I27 VanDerWaalsContact OE1-O 3.11Å; Q25-I27 HydrophobicContact CB-CD1 4.42Å; Q25-I27 HydrophobicContact CB-CG1 4.01Å; Q25-I27 PolarHBondContact O-N 2.85Å | ||
| 28 | F | 94.7 | Very high | 92.2 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | trans | -120.4 | 120.7 | 171.5 | 174.5 | -98.1 | 0 | 0 | 0 | 108.9 | A18 E30 A147 K148 | A18-F28 HydrophobicContact CB-CD2 4.21Å; A18-F28 HydrophobicContact CB-CE2 4.01Å; F28-E30 HydrophobicContact CD1-CG 4.42Å; F28-E30 HydrophobicContact CE1-CG 4.17Å; F28-A147 HydrophobicContact CD2-CB 3.99Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; F28-K148 HydrophobicContact CD1-CB 4.37Å; F28-K148 HydrophobicContact CD1-CG 4.12Å; F28-K148 HydrophobicContact CD2-CB 4.33Å; F28-K148 HydrophobicContact CE1-CB 4.12Å; F28-K148 HydrophobicContact CE1-CD 4.44Å; F28-K148 HydrophobicContact CE1-CG 3.9Å; F28-K148 HydrophobicContact CE2-CB 4.08Å; F28-K148 HydrophobicContact CG-CB 4.47Å; F28-K148 HydrophobicContact CZ-CB 3.97Å; F28-K148 HydrophobicContact CZ-CG 4.23Å | ||
| 29 | A | 89.4 | Confident | 92 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | trans | -89.8 | 126.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | K31 | A29-K31 VanDerWaalsContact C-N 3.31Š| ||
| 30 | E | 86.1 | Confident | 92 | Very high | 172 Ų | 172 | 74.7 Ų | 74.7 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -73.4 | -24.7 | 179.1 | -64 | -172.5 | 166.2 | 0 | 0 | 113.1 | F28 | F28-E30 HydrophobicContact CD1-CG 4.42Å; F28-E30 HydrophobicContact CE1-CG 4.17Å |
| 31 | K | 86.3 | Confident | 91.9 | Very high | 196 Ų | 196 | 81.6 Ų | 81.6 | 85% | 0.852 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -83.5 | 132.7 | 178.3 | -66.8 | -174.1 | 179.9 | -178.5 | 0 | 110.2 | A29 | A29-K31 VanDerWaalsContact C-N 3.31Š|
| 32 | Y | 79 | Confident | 92 | Very high | 141 Ų | 141 | 82.7 Ų | 82.7 | 55% | 0.553 | 42% | 0.417 | S | S | * | . | trans | -93.4 | 127.6 | 174.5 | 177.8 | -112.7 | 0 | 0 | 0 | 110.6 | G13 P34 | G13-Y32 PolarHBondContact N-OH 2.78Å; G13-Y32 VanDerWaalsContact N-OH 3.09Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å | ||
| 33 | D | 85.2 | Confident | 92 | Very high | 134 Ų | 134 | 87.3 Ų | 87.3 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | trans | -126.1 | 122.9 | 169 | -168.5 | 7.8 | 0 | 0 | 0 | 107.9 | T35 | D33-T35 PolarHBondContact O-N 2.99Š| ||
| 34 | P | 87.5 | Confident | 91.9 | Very high | 66 Ų | 66 | 87.9 Ų | 87.9 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | trans | -59.1 | 118.2 | 178.1 | -25 | 34.4 | 0 | 0 | 0 | 112.8 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.84Š| ||
| 35 | T | 85 | Confident | 91.9 | Very high | 18 Ų | 18 | 92 Ų | 92 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | trans | -69.8 | 140.8 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 2.82Å; D33-T35 PolarHBondContact O-N 2.99Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; T35-A59 VanDerWaalsContact O-CA 3.22Å; T35-A59 WeakPolarHBondContact O-CA 3.38Å; T35-A59 WeakPolarHBondContact O-CB 3.3Å | ||
| 36 | I | 85.1 | Confident | 91.8 | Very high | 121 Ų | 121 | 87 Ų | 87 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -86.2 | -64.5 | 165.4 | -62.1 | 175.6 | 0 | 0 | 0 | 108.8 | A59 F64 | I36-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 PolarHBondContact O-N 3.36Å; I36-F64 HydrophobicContact CG2-CE2 4.38Å |
| 37 | E | 88.7 | Confident | 91.7 | Very high | 84 Ų | 84 | 90.1 Ų | 90.1 | 39% | 0.393 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 130.9 | 172.1 | -175 | 176.9 | 90.9 | 0 | 0 | 107.1 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.6Å; E37-L56 HydrophobicContact CG-CG 4.2Å; E37-D57 WeakPolarHBondContact CA-O 3.38Å |
| 38 | D | 93 | Very high | 91.6 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.5 | 176.4 | -76 | -53.1 | 0 | 0 | 0 | 110 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.44Å; D38-Y40 HydrophobicContact CB-CD2 4.32Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.49Å; D38-D57 PolarHBondContact O-N 2.99Å |
| 39 | S | 95 | Very high | 91.5 | Very high | 71 Ų | 71 | 90.6 Ų | 90.6 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.9 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | I55 | S39-I55 WeakPolarHBondContact CA-O 3.23Å |
| 40 | Y | 97.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 93.3 Ų | 93.3 | 18% | 0.18 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.7 | 179.2 | -62.5 | -94.1 | 0 | 0 | 0 | 110.6 | T20 V21 V24 D38 E54 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.45Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y40 HydrophobicContact CG2-CE2 3.87Å; T20-Y40 HydrophobicContact CG2-CG 3.94Å; V21-Y40 HydrophobicContact CG2-CE1 4.31Å; V24-Y40 HydrophobicContact CB-CD1 4.47Å; V24-Y40 HydrophobicContact CG1-CD1 4.17Å; V24-Y40 HydrophobicContact CG2-CD1 4.41Å; V24-Y40 HydrophobicContact CG2-CG 4.27Å; D38-Y40 HydrophobicContact CB-CD2 4.32Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; Y40-E54 CarbonylContact O-C 3.44Å; Y40-E54 WeakPolarHBondContact O-CA 3.36Å; Y40-I55 PolarHBondContact N-O 2.81Å; Y40-I55 PolarHBondContact O-N 3.28Å; Y40-D57 HydrophobicContact CD2-CB 4.43Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å |
| 41 | R | 98.1 | Very high | 92.4 | Very high | 145 Ų | 145 | 85.3 Ų | 85.3 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.3 | 170.7 | -64.6 | -176.5 | 76.7 | -170.8 | 7.8 | 110.4 | E3 M52 L53 | E3-R41 IonicContact OE1-NH2 2.86Å; E3-R41 PolarHBondContact OE1-NH2 3.31Å; R41-M52 HydrophobicContact CB-SD 4.03Å; R41-L53 CarbonylContact C-O 3.53Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.22Å |
| 42 | K | 98.2 | Very high | 92.9 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.2 | 175.4 | -165.4 | -168.4 | -176.8 | -177.5 | 0 | 110.3 | F23 V24 V44 L53 | F23-K42 HydrophobicContact CD1-CD 3.83Å; F23-K42 HydrophobicContact CE1-CB 4.4Å; F23-K42 HydrophobicContact CE1-CD 3.43Å; F23-K42 VanDerWaalsContact CE1-CD 3.43Å; F23-K42 HydrophobicContact CE2-CD 4.4Å; F23-K42 HydrophobicContact CG-CD 4.46Å; F23-K42 HydrophobicContact CZ-CD 3.77Å; F23-K42 WeakPolarHBondContact O-CE 3.42Å; F23-K42 PolarHBondContact O-NZ 3.32Å; V24-K42 HydrophobicContact CG2-CB 4.41Å; K42-V44 HydrophobicContact CB-CG1 4.48Å; K42-V44 HydrophobicContact CD-CG1 3.53Å; K42-V44 HydrophobicContact CG-CG1 3.84Å; K42-L53 PolarHBondContact N-O 3.5Å; K42-L53 PolarHBondContact O-N 3.28Å |
| 43 | Q | 98.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 70.7 Ų | 70.7 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.8 | 166.8 | -172.2 | 175.3 | 19.9 | 0 | 0 | 109.1 | M1 C51 M52 | M1-Q43 HydrophobicContact CE-CG 4.05Å; M1-Q43 HydrophobicContact SD-CG 3.88Å; M1-Q43 PolarHBondContact SD-NE2 2.93Å; Q43-C51 WeakPolarHBondContact CA-O 3.31Å; Q43-M52 HydrophobicContact CB-CE 4.31Å; Q43-M52 HydrophobicContact CB-SD 4.46Å |
| 44 | V | 97.5 | Very high | 94.5 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.5 | 178.9 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | F23 K42 I46 Q50 C51 L53 | F23-V44 HydrophobicContact CZ-CG1 3.94Å; K42-V44 HydrophobicContact CB-CG1 4.48Å; K42-V44 HydrophobicContact CD-CG1 3.53Å; K42-V44 HydrophobicContact CG-CG1 3.84Å; V44-I46 HydrophobicContact CG2-CD1 3.65Å; V44-I46 HydrophobicContact CG2-CG1 3.91Å; V44-Q50 WeakPolarHBondContact O-CA 3.33Å; V44-C51 VanDerWaalsContact CG2-SG 3.52Å; V44-C51 PolarHBondContact N-O 3.32Å; V44-C51 PolarHBondContact O-N 3.44Å; V44-L53 HydrophobicContact CG2-CD1 3.76Å; V44-L53 HydrophobicContact CG2-CD2 4.34Å; V44-L53 HydrophobicContact CG2-CG 3.82Å |
| 45 | E | 96.7 | Very high | 95 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.3 | 169.5 | -171.7 | 178.2 | 151.5 | 0 | 0 | 109 | S48 Q49 | E45-S48 WeakPolarHBondContact OE1-CA 3.36Å; E45-Q49 WeakPolarHBondContact CA-O 3.34Å |
| 46 | I | 95.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124 | 177.6 | -62.5 | 167.5 | 0 | 0 | 0 | 107.1 | V44 S48 Q49 H158 V161 R162 | V44-I46 HydrophobicContact CG2-CD1 3.65Å; V44-I46 HydrophobicContact CG2-CG1 3.91Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.75Å; I46-Q49 PolarHBondContact N-O 3.27Å; I46-Q49 WeakPolarHBondContact O-CB 3.39Å; I46-Q49 PolarHBondContact O-N 3.39Å; I46-H158 HydrophobicContact CD1-CB 4.18Å; I46-H158 HydrophobicContact CG1-CB 4.33Å; I46-V161 HydrophobicContact CD1-CB 3.7Å; I46-V161 HydrophobicContact CD1-CG1 3.73Å; I46-V161 HydrophobicContact CD1-CG2 3.74Å; I46-V161 HydrophobicContact CG2-CG1 4.44Å; I46-R162 HydrophobicContact CG2-CG 4.17Å |
| 47 | D | 93.9 | Very high | 96.1 | Very high | 97 Ų | 97 | 59 Ų | 59 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 45.4 | -179.2 | -50.9 | -27.7 | 0 | 0 | 0 | 112.6 | Q49 R162 | D47-Q49 PolarHBondContact O-N 3.13Å; D47-R162 IonicContact OD1-CZ 3.36Å; D47-R162 IonicContact OD1-NE 3.06Å; D47-R162 PolarHBondContact OD1-NE 3.22Å; D47-R162 IonicContact OD1-NH2 2.89Å; D47-R162 PolarHBondContact OD1-NH2 3.42Å; D47-R162 WeakPolarHBondContact OD2-CG 3.39Å; D47-R162 IonicContact OD2-NE 3.38Å; D47-R162 PolarHBondContact OD2-NE 2.8Å |
| 48 | S | 93 | Very high | 96.3 | Very high | 107 Ų | 107 | 55 Ų | 55 | 75% | 0.748 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 20.6 | -175.8 | -55.7 | 0 | 0 | 0 | 0 | 115.2 | E45 I46 | E45-S48 WeakPolarHBondContact OE1-CA 3.36Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.75Å |
| 49 | Q | 93.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 52 Ų | 52 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120 | 173.8 | -58.4 | -159.9 | -35.5 | 0 | 0 | 110.4 | E45 I46 D47 C51 | E45-Q49 WeakPolarHBondContact CA-O 3.34Å; I46-Q49 PolarHBondContact N-O 3.27Å; I46-Q49 WeakPolarHBondContact O-CB 3.39Å; I46-Q49 PolarHBondContact O-N 3.39Å; D47-Q49 PolarHBondContact O-N 3.13Å; Q49-C51 PolarHBondContact O-N 3.32Å |
| 50 | Q | 96 | Very high | 95.4 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.3 | 169.4 | -68.5 | -175 | -12.8 | 0 | 0 | 110.1 | M1 V44 | M1-Q50 WeakPolarHBondContact CG-O 3.4Å; M1-Q50 HydrophobicContact SD-CB 3.99Å; V44-Q50 WeakPolarHBondContact O-CA 3.33Å |
| 51 | C | 96.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | M1 R2 Y4 Q43 V44 Q49 | M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-CA 3.57Å; R2-C51 WeakPolarHBondContact O-CA 3.38Å; R2-C51 WeakPolarHBondContact O-CB 3.38Å; Y4-C51 HydrophobicContact CD2-CB 3.85Å; Y4-C51 HydrophobicContact CE2-CB 3.38Å; Q43-C51 WeakPolarHBondContact CA-O 3.31Å; V44-C51 VanDerWaalsContact CG2-SG 3.52Å; V44-C51 PolarHBondContact N-O 3.32Å; V44-C51 PolarHBondContact O-N 3.44Å; Q49-C51 PolarHBondContact O-N 3.32Å |
| 52 | M | 98.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.7 | 171.1 | -174.1 | 64.1 | 74.6 | 0 | 0 | 109 | M1 R2 E3 Y4 R41 Q43 | M1-M52 HydrophobicContact CE-CB 4.01Å; M1-M52 HydrophobicContact CE-CE 3.92Å; R2-M52 PolarHBondContact O-N 2.97Å; E3-M52 CarbonylContact C-O 3.6Å; E3-M52 VanDerWaalsContact CA-O 3.29Å; E3-M52 WeakPolarHBondContact CA-O 3.29Å; E3-M52 HydrophobicContact CG-CB 4.1Å; Y4-M52 PolarHBondContact N-O 3.34Å; R41-M52 HydrophobicContact CB-SD 4.03Å; Q43-M52 HydrophobicContact CB-CE 4.31Å; Q43-M52 HydrophobicContact CB-SD 4.46Å |
| 53 | L | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.7 | 169.4 | -51.5 | -173.1 | 0 | 0 | 0 | 108.5 | Y4 L6 F23 R41 K42 V44 I55 V161 | Y4-L53 HydrophobicContact CD2-CD2 3.76Å; Y4-L53 HydrophobicContact CG-CD2 4.07Å; L6-L53 HydrophobicContact CD1-CB 4.45Å; L6-L53 HydrophobicContact CD1-CD1 4.05Å; L6-L53 HydrophobicContact CD1-CD2 4.37Å; F23-L53 HydrophobicContact CE1-CD1 3.82Å; F23-L53 HydrophobicContact CZ-CD1 3.84Å; R41-L53 CarbonylContact C-O 3.53Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.22Å; K42-L53 PolarHBondContact N-O 3.5Å; K42-L53 PolarHBondContact O-N 3.28Å; V44-L53 HydrophobicContact CG2-CD1 3.76Å; V44-L53 HydrophobicContact CG2-CD2 4.34Å; V44-L53 HydrophobicContact CG2-CG 3.82Å; L53-I55 HydrophobicContact CB-CD1 4.41Å; L53-I55 HydrophobicContact CB-CG1 4.16Å; L53-V161 HydrophobicContact CD1-CG2 4.21Å; L53-V161 HydrophobicContact CD2-CG2 3.39Å; L53-V161 HydrophobicContact CG-CG2 4.47Å |
| 54 | E | 98.4 | Very high | 89.3 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.1 | 164.2 | -175.3 | -175.6 | 174.9 | 0 | 0 | 106.6 | Y4 K5 L6 Y40 | Y4-E54 PolarHBondContact O-N 2.86Å; K5-E54 CarbonylContact C-O 3.54Å; K5-E54 WeakPolarHBondContact CA-O 3.19Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.35Å; K5-E54 HydrophobicContact CG-CB 4.5Å; L6-E54 PolarHBondContact N-O 3.1Å; Y40-E54 CarbonylContact O-C 3.44Å; Y40-E54 WeakPolarHBondContact O-CA 3.36Å |
| 55 | I | 98.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.1 | -174.8 | -54.7 | 170.1 | 0 | 0 | 0 | 107.8 | L6 V8 T20 F23 V24 S39 Y40 L53 F157 | L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.42Å; L6-I55 WeakPolarHBondContact O-CA 3.46Å; V8-I55 HydrophobicContact CG2-CG2 3.78Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.78Å; F23-I55 HydrophobicContact CD1-CD1 3.58Å; F23-I55 HydrophobicContact CE1-CD1 3.7Å; V24-I55 HydrophobicContact CG2-CD1 4.11Å; S39-I55 WeakPolarHBondContact CA-O 3.23Å; Y40-I55 PolarHBondContact N-O 2.81Å; Y40-I55 PolarHBondContact O-N 3.28Å; L53-I55 HydrophobicContact CB-CD1 4.41Å; L53-I55 HydrophobicContact CB-CG1 4.16Å; I55-F157 HydrophobicContact CD1-CD1 3.95Å; I55-F157 HydrophobicContact CD1-CE1 3.81Å; I55-F157 HydrophobicContact CD1-CZ 4.46Å; I55-F157 HydrophobicContact CG1-CE1 4.34Å; I55-F157 HydrophobicContact CG2-CE1 3.93Å |
| 56 | L | 96.7 | Very high | 86.2 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 111.1 | 171.1 | -168.9 | 70.6 | 0 | 0 | 0 | 109.3 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 2.9Å; V7-L56 HydrophobicContact CG1-CB 4.4Å; V7-L56 HydrophobicContact CG1-CD2 4.31Å; V7-L56 HydrophobicContact CG2-CB 4.42Å; V8-L56 PolarHBondContact N-O 3.49Å; E37-L56 HydrophobicContact CG-CD1 3.6Å; E37-L56 HydrophobicContact CG-CG 4.2Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.17Å; L56-Y71 HydrophobicContact CD2-CD1 3.86Å; L56-Y71 HydrophobicContact CD2-CG 3.78Å |
| 57 | D | 94.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.5 | 167.8 | -175.7 | 32 | 0 | 0 | 0 | 109.1 | K16 S17 T20 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.32Å; K16-D57 WeakPolarHBondContact CB-OD1 3.25Å; S17-D57 WeakPolarHBondContact CA-OD2 3.5Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact N-OD1 3.37Å; S17-D57 PolarHBondContact OG-OD2 3.28Å; T20-D57 HydrophobicContact CG2-CB 4.37Å; E37-D57 WeakPolarHBondContact CA-O 3.38Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.49Å; D38-D57 PolarHBondContact O-N 2.99Å; Y40-D57 HydrophobicContact CD2-CB 4.43Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å |
| 58 | T | 92.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.6 | -168.5 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | V7 V8 L9 K16 L56 Y71 | V7-T58 HydrophobicContact CG1-CG2 4.03Å; V8-T58 PolarHBondContact O-OG1 3.05Å; L9-T58 HydrophobicContact CD2-CG2 3.8Å; K16-T58 WeakPolarHBondContact CE-O 3.4Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.17Å; T58-Y71 HydrophobicContact CG2-CD1 4.49Å; T58-Y71 HydrophobicContact CG2-CE1 4.15Å |
| 59 | A | 88.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | trans | -57.7 | 165.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K16 T35 I36 Q63 F64 | K16-A59 PolarHBondContact NZ-O 2.96Å; T35-A59 VanDerWaalsContact O-CA 3.22Å; T35-A59 WeakPolarHBondContact O-CA 3.38Å; T35-A59 WeakPolarHBondContact O-CB 3.3Å; I36-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 PolarHBondContact O-N 3.36Å; A59-Q63 HydrophobicContact CB-CB 3.97Å; A59-F64 HydrophobicContact CB-CD2 4.28Å | ||
| 60 | G | 80.7 | Confident | 84.3 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | -53 | 147.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E62 Q63 | G60-E62 VanDerWaalsContact CA-OE2 3.27Å; G60-E62 WeakPolarHBondContact CA-OE2 3.43Å; G60-E62 PolarHBondContact O-N 2.87Å; G60-Q63 PolarHBondContact O-N 2.83Å | ||
| 61 | T | 72.2 | Confident | 84 | Confident | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.1 | 178.7 | 49 | 0 | 0 | 0 | 0 | 114.1 | G10 S11 Q63 R68 L96 | G10-T61 PolarHBondContact O-N 3.31Å; S11-T61 WeakPolarHBondContact CA-OG1 3.39Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; T61-R68 PolarHBondContact O-NH1 2.9Å; T61-R68 PolarHBondContact O-NH2 2.82Å; T61-L96 HydrophobicContact CG2-CD1 4.01Å; T61-L96 HydrophobicContact CG2-CD2 3.52Å; T61-L96 HydrophobicContact CG2-CG 4.31Å |
| 62 | E | 67.2 | Low | 83.9 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -10.4 | 169.4 | 71.7 | -67.5 | 167.2 | 0 | 0 | 113.3 | G12 G60 | G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE2 2.88Å; G60-E62 VanDerWaalsContact CA-OE2 3.27Å; G60-E62 WeakPolarHBondContact CA-OE2 3.43Å; G60-E62 PolarHBondContact O-N 2.87Å |
| 63 | Q | 62.8 | Low | 83.7 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -118.3 | 143 | -172.4 | -49.4 | 177.2 | 16.8 | 0 | 0 | 111.7 | A59 G60 T61 R68 | A59-Q63 HydrophobicContact CB-CB 3.97Å; G60-Q63 PolarHBondContact O-N 2.83Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-R68 PolarHBondContact O-NH2 2.94Å |
| 64 | F | 61.5 | Low | 83.5 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 58% | 0.575 | 30% | 0.301 | S | S | * | . | trans | 51.6 | 69.9 | 169.4 | -56.9 | -77.7 | 0 | 0 | 0 | 116.4 | I36 A59 | I36-F64 HydrophobicContact CG2-CE2 4.38Å; A59-F64 HydrophobicContact CB-CD2 4.28Å | ||
| 65 | T | 63.7 | Low | 83.5 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 60% | 0.595 | 29% | 0.288 | S | S | * | . | trans | -75.8 | -23.1 | -178.8 | 54 | 0 | 0 | 0 | 0 | 115 | M67 R68 | T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.03Å; T65-R68 WeakPolarHBondContact O-CG 3.45Å; T65-R68 PolarHBondContact O-N 3.04Å | ||
| 66 | A | 65.5 | Low | 83.5 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 80% | 0.802 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 67 | M | 73.9 | Confident | 83.6 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.1 | -176.6 | -61.4 | -157.6 | -60.8 | 0 | 0 | 114.1 | T65 D69 L70 | T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.03Å; M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 2.8Å; M67-L70 PolarHBondContact O-N 3.02Å |
| 68 | R | 83.2 | Confident | 83.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | -173.5 | -57.8 | -153.1 | 173.9 | 148.1 | 9.9 | 113.7 | T61 Q63 T65 L70 Y71 M72 | T61-R68 PolarHBondContact O-NH1 2.9Å; T61-R68 PolarHBondContact O-NH2 2.82Å; Q63-R68 PolarHBondContact O-NH2 2.94Å; T65-R68 WeakPolarHBondContact O-CG 3.45Å; T65-R68 PolarHBondContact O-N 3.04Å; R68-L70 PolarHBondContact O-N 3.05Å; R68-Y71 HydrophobicContact CB-CE1 4.31Å; R68-Y71 HydrophobicContact CB-CE2 4.02Å; R68-Y71 VanDerWaalsContact CD-OH 3.25Å; R68-Y71 WeakPolarHBondContact CD-OH 3.4Å; R68-Y71 HydrophobicContact CG-CE1 4.29Å; R68-Y71 HydrophobicContact CG-CE2 4.44Å; R68-Y71 WeakPolarHBondContact CG-OH 3.42Å; R68-Y71 VanDerWaalsContact O-CD2 3.22Å; R68-Y71 WeakPolarHBondContact O-CD2 3.35Å; R68-Y71 WeakPolarHBondContact O-CE2 3.4Å; R68-Y71 PolarHBondContact O-N 3.25Å; R68-M72 HydrophobicContact CB-CE 4.03Å; R68-M72 HydrophobicContact CB-SD 4.3Å; R68-M72 WeakPolarHBondContact O-CB 3.3Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.42Å; R68-M72 PolarHBondContact O-N 3Å |
| 69 | D | 88.7 | Confident | 84 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -29.8 | -174.7 | -68 | 2.6 | 0 | 0 | 0 | 111.1 | M67 K73 Q99 V103 | M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 2.8Å; D69-K73 WeakPolarHBondContact O-CB 3.48Å; D69-K73 PolarHBondContact O-N 2.87Å; D69-Q99 PolarHBondContact OD1-NE2 3.46Å; D69-Q99 VanDerWaalsContact OD1-NE2 3.1Å; D69-V103 HydrophobicContact CB-CG1 4.27Å; D69-V103 HydrophobicContact CB-CG2 4.2Å; D69-V103 WeakPolarHBondContact O-CG1 3.44Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å |
| 70 | L | 90.2 | Very high | 84.5 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 60% | 0.602 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.1 | -51.5 | 179.4 | -174.3 | 64.9 | 0 | 0 | 0 | 112.1 | M67 R68 K73 N74 | M67-L70 PolarHBondContact O-N 3.02Å; R68-L70 PolarHBondContact O-N 3.05Å; L70-K73 PolarHBondContact O-N 3.29Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.38Å; L70-N74 WeakPolarHBondContact O-CB 3.2Å; L70-N74 VanDerWaalsContact O-CG 3.31Å; L70-N74 PolarHBondContact O-N 3.29Å; L70-N74 PolarHBondContact O-ND2 3.49Å |
| 71 | Y | 91 | Very high | 85.4 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.2 | -28.8 | 179.1 | 58.9 | -119.8 | 0 | 0 | 0 | 112.4 | V7 L9 L56 T58 R68 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.89Å; V7-Y71 HydrophobicContact CG1-CE2 4.45Å; V7-Y71 HydrophobicContact CG1-CG 4.36Å; L9-Y71 HydrophobicContact CD1-CE2 4.35Å; L9-Y71 HydrophobicContact CD2-CD2 4.21Å; L9-Y71 HydrophobicContact CD2-CE2 3.41Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.41Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L56-Y71 HydrophobicContact CD2-CD1 3.86Å; L56-Y71 HydrophobicContact CD2-CG 3.78Å; T58-Y71 HydrophobicContact CG2-CD1 4.49Å; T58-Y71 HydrophobicContact CG2-CE1 4.15Å; R68-Y71 HydrophobicContact CB-CE1 4.31Å; R68-Y71 HydrophobicContact CB-CE2 4.02Å; R68-Y71 VanDerWaalsContact CD-OH 3.25Å; R68-Y71 WeakPolarHBondContact CD-OH 3.4Å; R68-Y71 HydrophobicContact CG-CE1 4.29Å; R68-Y71 HydrophobicContact CG-CE2 4.44Å; R68-Y71 WeakPolarHBondContact CG-OH 3.42Å; R68-Y71 VanDerWaalsContact O-CD2 3.22Å; R68-Y71 WeakPolarHBondContact O-CD2 3.35Å; R68-Y71 WeakPolarHBondContact O-CE2 3.4Å; R68-Y71 PolarHBondContact O-N 3.25Å; Y71-G75 WeakPolarHBondContact O-CA 3.25Å; Y71-G75 PolarHBondContact O-N 3.47Å |
| 72 | M | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 173.4 | -70.2 | 179.3 | -180 | 0 | 0 | 111.5 | L9 R68 F78 L96 Q99 I100 V103 K104 | L9-M72 HydrophobicContact CD1-CE 4.27Å; R68-M72 HydrophobicContact CB-CE 4.03Å; R68-M72 HydrophobicContact CB-SD 4.3Å; R68-M72 WeakPolarHBondContact O-CB 3.3Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.42Å; R68-M72 PolarHBondContact O-N 3Å; M72-F78 WeakPolarHBondContact O-CZ 3.39Å; M72-L96 HydrophobicContact CE-CD1 3.46Å; M72-L96 VanDerWaalsContact CE-CD1 3.46Å; M72-Q99 HydrophobicContact CE-CB 4.34Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.24Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; M72-I100 HydrophobicContact CE-CG1 4.01Å; M72-I100 HydrophobicContact CG-CG1 3.96Å; M72-I100 HydrophobicContact SD-CG1 3.88Å; M72-V103 HydrophobicContact CB-CB 4.09Å; M72-V103 HydrophobicContact CB-CG1 3.77Å; M72-V103 HydrophobicContact SD-CG2 4.29Å; M72-K104 WeakPolarHBondContact O-CG 3.49Å; M72-K104 PolarHBondContact O-NZ 3.26Å |
| 73 | K | 94.8 | Very high | 88.1 | Confident | 144 Ų | 144 | 49.2 Ų | 49.2 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.3 | -48.2 | 174.6 | -174.9 | 171.4 | -176.9 | 173.7 | 0 | 111.3 | D69 L70 V103 K104 | D69-K73 WeakPolarHBondContact O-CB 3.48Å; D69-K73 PolarHBondContact O-N 2.87Å; L70-K73 PolarHBondContact O-N 3.29Å; K73-V103 HydrophobicContact CB-CG1 3.98Å; K73-K104 PolarHBondContact O-NZ 3.39Å |
| 74 | N | 94.4 | Very high | 89.9 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -84.2 | -24.2 | -172.7 | -66.4 | -24 | 0 | 0 | 0 | 114.8 | L70 | L70-N74 WeakPolarHBondContact CD1-ND2 3.38Å; L70-N74 WeakPolarHBondContact O-CB 3.2Å; L70-N74 VanDerWaalsContact O-CG 3.31Å; L70-N74 PolarHBondContact O-N 3.29Å; L70-N74 PolarHBondContact O-ND2 3.49Å |
| 75 | G | 97.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -64.3 | 134 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | Y71 F78 K104 | Y71-G75 WeakPolarHBondContact O-CA 3.25Å; Y71-G75 PolarHBondContact O-N 3.47Å; G75-F78 WeakPolarHBondContact O-CE2 3.43Å; G75-K104 PolarHBondContact O-NZ 3.19Å | ||
| 76 | Q | 98.3 | Very high | 93.3 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -92.4 | -28.1 | 179.6 | -66.1 | 174.5 | -66.3 | 0 | 0 | 112.1 | K5 P110 I164 | K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 PolarHBondContact O-N 3.37Å; Q76-P110 WeakPolarHBondContact O-CD 3.38Å; Q76-P110 VanDerWaalsContact O-CG 3.3Å; Q76-P110 WeakPolarHBondContact O-CG 3.09Å; Q76-I164 HydrophobicContact CB-CD1 3.82Å; Q76-I164 HydrophobicContact CB-CG1 4.2Å; Q76-I164 HydrophobicContact CB-CG2 4.42Å |
| 77 | G | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K5 L6 V7 P110 | K5-G77 PolarHBondContact O-N 3.33Å; L6-G77 WeakPolarHBondContact CA-O 3.22Å; V7-G77 PolarHBondContact N-O 2.86Å; G77-P110 WeakPolarHBondContact CA-O 3.46Å |
| 78 | F | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.3 | -173 | -59.8 | -93.5 | 0 | 0 | 0 | 111.4 | V7 L9 M72 G75 I100 K104 F109 P110 L111 V112 | V7-F78 HydrophobicContact CB-CD1 3.8Å; V7-F78 HydrophobicContact CB-CE1 3.88Å; V7-F78 HydrophobicContact CG1-CD1 4.42Å; V7-F78 HydrophobicContact CG1-CE1 4.44Å; V7-F78 HydrophobicContact CG2-CD1 4.36Å; V7-F78 HydrophobicContact CG2-CE1 3.96Å; V7-F78 WeakPolarHBondContact O-CA 3.45Å; L9-F78 HydrophobicContact CD1-CD1 3.79Å; L9-F78 HydrophobicContact CD1-CE1 4.34Å; M72-F78 WeakPolarHBondContact O-CZ 3.39Å; G75-F78 WeakPolarHBondContact O-CE2 3.43Å; F78-I100 HydrophobicContact CD1-CD1 4Å; F78-I100 HydrophobicContact CD2-CG2 4.3Å; F78-I100 HydrophobicContact CE1-CG2 4.44Å; F78-I100 HydrophobicContact CE2-CG2 4.09Å; F78-I100 HydrophobicContact CG-CD1 4.21Å; F78-I100 HydrophobicContact CZ-CG2 4.17Å; F78-K104 HydrophobicContact CE2-CD 3.88Å; F78-K104 HydrophobicContact CZ-CD 4.21Å; F78-F109 HydrophobicContact CB-CD2 4.43Å; F78-F109 HydrophobicContact CB-CE2 3.99Å; F78-F109 AromaticContact CD2-CD2 3.46Å; F78-F109 HydrophobicContact CD2-CD2 3.46Å; F78-F109 VanDerWaalsContact CD2-CD2 3.46Å; F78-F109 AromaticContact CD2-CE2 3.71Å; F78-F109 HydrophobicContact CD2-CE2 3.71Å; F78-F109 HydrophobicContact CD2-CG 4.4Å; F78-F109 HydrophobicContact CE2-CD2 4.12Å; F78-F109 HydrophobicContact CG-CD2 4.23Å; F78-F109 HydrophobicContact CG-CE2 4.03Å; F78-P110 PolarHBondContact N-O 2.89Å; F78-L111 HydrophobicContact CB-CD1 4.34Å; F78-L111 WeakPolarHBondContact O-CA 3.39Å; F78-V112 PolarHBondContact O-N 2.91Å |
| 79 | L | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.4 | 160.3 | -60.9 | -177.8 | 0 | 0 | 0 | 107.8 | V7 V8 L9 V81 V112 V114 I156 F157 L160 | V7-L79 PolarHBondContact O-N 3.37Å; V8-L79 HydrophobicContact CG1-CB 4.22Å; V8-L79 HydrophobicContact CG2-CD1 4.12Å; L9-L79 PolarHBondContact N-O 3.02Å; L79-V81 HydrophobicContact CB-CG2 4.17Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG2 4.17Å; L79-V114 HydrophobicContact CB-CG2 4.43Å; L79-V114 HydrophobicContact CD2-CG2 4.15Å; L79-I156 HydrophobicContact CD1-CD1 3.69Å; L79-I156 HydrophobicContact CD1-CG1 4.21Å; L79-I156 HydrophobicContact CD2-CB 4.11Å; L79-I156 HydrophobicContact CD2-CD1 4.44Å; L79-I156 HydrophobicContact CD2-CG1 4.49Å; L79-F157 HydrophobicContact CD1-CD1 3.88Å; L79-F157 HydrophobicContact CD1-CE1 3.45Å; L79-F157 VanDerWaalsContact CD1-CE1 3.45Å; L79-F157 HydrophobicContact CD1-CE2 4.2Å; L79-F157 HydrophobicContact CD1-CG 4.43Å; L79-F157 HydrophobicContact CD1-CZ 3.63Å; L79-L160 HydrophobicContact CD2-CD2 3.94Å; L79-L160 HydrophobicContact CG-CD2 4.07Å |
| 80 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 106.9 | 171.5 | -67.9 | -170.8 | 0 | 0 | 0 | 108.7 | L9 L93 L96 R97 I100 L111 V112 L113 V114 W138 | L9-L80 HydrophobicContact CB-CD2 3.86Å; L9-L80 HydrophobicContact CD1-CD2 4.21Å; L80-L93 HydrophobicContact CB-CD1 4.15Å; L80-L93 HydrophobicContact CB-CD2 4.15Å; L80-L96 HydrophobicContact CD2-CD2 3.77Å; L80-L96 HydrophobicContact CD2-CG 4Å; L80-R97 HydrophobicContact CD1-CB 3.99Å; L80-I100 HydrophobicContact CD2-CD1 3.91Å; L80-L111 HydrophobicContact CB-CD1 4.01Å; L80-L111 HydrophobicContact CD1-CD1 3.69Å; L80-L111 HydrophobicContact CD1-CD2 4.29Å; L80-L111 HydrophobicContact CG-CD1 3.46Å; L80-L111 VanDerWaalsContact CG-CD1 3.46Å; L80-V112 PolarHBondContact N-O 2.92Å; L80-L113 HydrophobicContact CB-CD1 4.45Å; L80-V114 PolarHBondContact O-N 3.12Å; L80-W138 HydrophobicContact CD1-CH2 4.38Å; L80-W138 HydrophobicContact CD1-CZ3 3.84Å |
| 81 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.9 | -167.7 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | V8 L9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.7Å; L9-V81 PolarHBondContact O-N 3.37Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; K16-V81 HydrophobicContact CG-CB 4.34Å; K16-V81 HydrophobicContact CG-CG2 4.48Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.25Å; L79-V81 HydrophobicContact CB-CG2 4.17Å; V81-V114 WeakPolarHBondContact CA-O 3.32Å; V81-V114 HydrophobicContact CB-CB 4.49Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.28Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.8Å |
| 82 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 163.5 | 166.8 | 69.7 | -83.5 | 0 | 0 | 0 | 110.4 | I84 T89 F90 L93 L113 V114 N116 V126 F142 | Y82-I84 HydrophobicContact CE2-CG2 4.08Å; Y82-T89 WeakPolarHBondContact CB-O 3.2Å; Y82-F90 AromaticContact CD1-CD2 3.73Å; Y82-F90 HydrophobicContact CD1-CD2 3.73Å; Y82-F90 HydrophobicContact CD1-CE2 4.44Å; Y82-F90 HydrophobicContact CD2-CB 3.84Å; Y82-F90 AromaticContact CD2-CD2 3.82Å; Y82-F90 HydrophobicContact CD2-CD2 3.82Å; Y82-F90 HydrophobicContact CD2-CG 4.31Å; Y82-F90 AromaticContact CE1-CD2 3.67Å; Y82-F90 HydrophobicContact CE1-CD2 3.67Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.44Å; Y82-F90 AromaticContact CE2-CD2 3.79Å; Y82-F90 HydrophobicContact CE2-CD2 3.79Å; Y82-F90 HydrophobicContact CG-CB 4.02Å; Y82-F90 AromaticContact CG-CD2 3.8Å; Y82-F90 HydrophobicContact CG-CD2 3.8Å; Y82-F90 HydrophobicContact CG-CG 4.43Å; Y82-F90 AromaticContact CZ-CD2 3.7Å; Y82-L93 HydrophobicContact CD1-CD1 3.8Å; Y82-L93 HydrophobicContact CG-CD1 4.27Å; Y82-L113 HydrophobicContact CD1-CD1 4.07Å; Y82-L113 HydrophobicContact CE1-CD1 4.13Å; Y82-L113 HydrophobicContact CE1-CG 4.2Å; Y82-V114 WeakPolarHBondContact CD1-O 3.04Å; Y82-V114 PolarHBondContact N-O 2.97Å; Y82-N116 PolarHBondContact O-N 3.32Å; Y82-V126 HydrophobicContact CD2-CG1 4.42Å; Y82-V126 HydrophobicContact CD2-CG2 4.39Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.65Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; Y82-F142 HydrophobicContact CE1-CE2 4.29Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.34Å |
| 83 | S | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.7 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 109 | T85 S86 T89 K117 | S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.19Å; S83-S86 PolarHBondContact O-N 3.01Å; S83-T89 PolarHBondContact N-OG1 3.13Å; S83-K117 WeakPolarHBondContact OG-CD 3.49Å |
| 84 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.9 | 176 | 63.7 | 144.4 | 0 | 0 | 0 | 112.7 | Y82 N116 K117 C118 R124 S125 V126 | Y82-I84 HydrophobicContact CE2-CG2 4.08Å; I84-N116 WeakPolarHBondContact CG1-O 3.27Å; I84-N116 PolarHBondContact N-O 2.95Å; I84-K117 WeakPolarHBondContact CD1-O 3.08Å; I84-K117 WeakPolarHBondContact CG1-O 3.21Å; I84-C118 HydrophobicContact CD1-CB 4.47Å; I84-R124 HydrophobicContact CD1-CB 4.1Å; I84-R124 HydrophobicContact CD1-CG 4.18Å; I84-S125 PolarHBondContact O-N 2.73Å; I84-S125 PolarHBondContact O-OG 2.63Å; I84-V126 PolarHBondContact O-N 3.19Å |
| 85 | T | 98.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.7 | 177.9 | 68 | 0 | 0 | 0 | 0 | 113.8 | S83 L120 E123 S125 | S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.19Å; T85-L120 HydrophobicContact CG2-CB 3.7Å; T85-L120 HydrophobicContact CG2-CD1 4Å; T85-E123 WeakPolarHBondContact CA-O 3.38Å; T85-E123 WeakPolarHBondContact CB-O 3.02Å; T85-E123 HydrophobicContact CG2-CB 3.66Å; T85-S125 PolarHBondContact O-OG 2.93Å |
| 86 | S | 98.6 | Very high | 97.9 | Very high | 41 Ų | 41 | 30.1 Ų | 30.1 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | trans | -142.8 | 104.6 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | S83 A88 T89 F90 S125 | S83-S86 PolarHBondContact O-N 3.01Å; S86-A88 PolarHBondContact O-N 3.28Å; S86-T89 PolarHBondContact O-N 2.94Å; S86-T89 VanDerWaalsContact O-N 3.16Å; S86-T89 PolarHBondContact O-OG1 2.78Å; S86-F90 PolarHBondContact O-N 3.08Å; S86-S125 WeakPolarHBondContact CA-OG 3.11Å; S86-S125 PolarHBondContact N-OG 3.18Å; S86-S125 VanDerWaalsContact N-OG 3.13Å | ||
| 87 | Q | 98.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.5 | -33.3 | 176.2 | -177.1 | 61 | 63.5 | 0 | 0 | 113.2 | T89 F90 T91 S125 V126 | Q87-T89 PolarHBondContact O-N 3.34Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.34Å; Q87-F90 WeakPolarHBondContact O-CB 3.32Å; Q87-F90 PolarHBondContact O-N 3.31Å; Q87-T91 PolarHBondContact O-N 2.83Å; Q87-T91 VanDerWaalsContact O-N 3.14Å; Q87-T91 PolarHBondContact O-OG1 3.37Å; Q87-T91 VanDerWaalsContact O-OG1 3.1Å; Q87-S125 PolarHBondContact N-OG 3.26Å; Q87-V126 HydrophobicContact CB-CG2 4.27Å |
| 88 | A | 98 | Very high | 97.7 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 50% | 0.496 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | S86 F90 T91 D92 | S86-A88 PolarHBondContact O-N 3.28Å; A88-F90 PolarHBondContact O-N 3.26Å; A88-T91 PolarHBondContact O-N 2.67Å; A88-T91 VanDerWaalsContact O-N 3.11Å; A88-D92 VanDerWaalsContact O-CG 3.23Å; A88-D92 PolarHBondContact O-N 3.29Å |
| 89 | T | 98.2 | Very high | 97.5 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -25.2 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | V14 Y82 S83 S86 Q87 | V14-T89 HydrophobicContact CG1-CG2 3.7Å; Y82-T89 WeakPolarHBondContact CB-O 3.2Å; S83-T89 PolarHBondContact N-OG1 3.13Å; S86-T89 PolarHBondContact O-N 2.94Å; S86-T89 VanDerWaalsContact O-N 3.16Å; S86-T89 PolarHBondContact O-OG1 2.78Å; Q87-T89 PolarHBondContact O-N 3.34Å |
| 90 | F | 98.7 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.5 | -46.7 | 172.7 | 176.9 | -100.5 | 0 | 0 | 0 | 111.4 | Y82 S86 Q87 A88 D92 L93 L113 V126 Q130 L134 | Y82-F90 AromaticContact CD1-CD2 3.73Å; Y82-F90 HydrophobicContact CD1-CD2 3.73Å; Y82-F90 HydrophobicContact CD1-CE2 4.44Å; Y82-F90 HydrophobicContact CD2-CB 3.84Å; Y82-F90 AromaticContact CD2-CD2 3.82Å; Y82-F90 HydrophobicContact CD2-CD2 3.82Å; Y82-F90 HydrophobicContact CD2-CG 4.31Å; Y82-F90 AromaticContact CE1-CD2 3.67Å; Y82-F90 HydrophobicContact CE1-CD2 3.67Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.44Å; Y82-F90 AromaticContact CE2-CD2 3.79Å; Y82-F90 HydrophobicContact CE2-CD2 3.79Å; Y82-F90 HydrophobicContact CG-CB 4.02Å; Y82-F90 AromaticContact CG-CD2 3.8Å; Y82-F90 HydrophobicContact CG-CD2 3.8Å; Y82-F90 HydrophobicContact CG-CG 4.43Å; Y82-F90 AromaticContact CZ-CD2 3.7Å; S86-F90 PolarHBondContact O-N 3.08Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.34Å; Q87-F90 WeakPolarHBondContact O-CB 3.32Å; Q87-F90 PolarHBondContact O-N 3.31Å; A88-F90 PolarHBondContact O-N 3.26Å; F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 3.26Å; F90-L93 WeakPolarHBondContact O-CB 3.18Å; F90-L93 PolarHBondContact O-N 2.84Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 4.07Å; F90-V126 HydrophobicContact CD1-CG1 4.46Å; F90-V126 HydrophobicContact CD2-CG1 4.02Å; F90-V126 HydrophobicContact CE2-CG1 4.36Å; F90-V126 HydrophobicContact CG-CG1 4.04Å; F90-Q130 HydrophobicContact CZ-CB 4.29Å; F90-L134 HydrophobicContact CD2-CD2 4.4Å; F90-L134 HydrophobicContact CE1-CD2 4.04Å; F90-L134 HydrophobicContact CE2-CB 4.29Å; F90-L134 HydrophobicContact CE2-CD2 3.57Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.39Å; F90-L134 HydrophobicContact CZ-CG 4.17Å |
| 91 | T | 97.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | Q87 A88 L93 I94 | Q87-T91 PolarHBondContact O-N 2.83Å; Q87-T91 VanDerWaalsContact O-N 3.14Å; Q87-T91 PolarHBondContact O-OG1 3.37Å; Q87-T91 VanDerWaalsContact O-OG1 3.1Å; A88-T91 PolarHBondContact O-N 2.67Å; A88-T91 VanDerWaalsContact O-N 3.11Å; T91-L93 PolarHBondContact O-N 2.62Å; T91-L93 VanDerWaalsContact O-N 3.11Å; T91-I94 HydrophobicContact CG2-CD1 4.36Å; T91-I94 WeakPolarHBondContact O-CB 2.83Å; T91-I94 WeakPolarHBondContact O-CG1 3.32Å; T91-I94 PolarHBondContact O-N 3.43Å; T91-I94 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 96 | Very high | 97.1 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.7 | -26.6 | 178.5 | -68.3 | -16.2 | 0 | 0 | 0 | 113.3 | S11 A88 F90 I94 D95 L96 | S11-D92 WeakPolarHBondContact OG-CB 3.18Å; S11-D92 PolarHBondContact OG-OD2 3.19Å; A88-D92 VanDerWaalsContact O-CG 3.23Å; A88-D92 PolarHBondContact O-N 3.29Å; F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 3.26Å; D92-I94 PolarHBondContact O-N 3.45Å; D92-D95 PolarHBondContact O-N 2.95Å; D92-L96 PolarHBondContact O-N 3.32Å |
| 93 | L | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -22.5 | -179.5 | -62.1 | -175.7 | 0 | 0 | 0 | 113.1 | L80 Y82 F90 T91 L96 R97 L113 W138 | L80-L93 HydrophobicContact CB-CD1 4.15Å; L80-L93 HydrophobicContact CB-CD2 4.15Å; Y82-L93 HydrophobicContact CD1-CD1 3.8Å; Y82-L93 HydrophobicContact CG-CD1 4.27Å; F90-L93 WeakPolarHBondContact O-CB 3.18Å; F90-L93 PolarHBondContact O-N 2.84Å; T91-L93 PolarHBondContact O-N 2.62Å; T91-L93 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CD2-CD2 4.09Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-R97 WeakPolarHBondContact O-CB 3.22Å; L93-R97 PolarHBondContact O-N 3.42Å; L93-L113 HydrophobicContact CD1-CD1 3.44Å; L93-L113 VanDerWaalsContact CD1-CD1 3.44Å; L93-W138 HydrophobicContact CB-CH2 3.88Å |
| 94 | I | 97.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 32% | 0.323 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 180 | -61.8 | 169.2 | 0 | 0 | 0 | 110.2 | T91 D92 R97 K98 W138 | T91-I94 HydrophobicContact CG2-CD1 4.36Å; T91-I94 WeakPolarHBondContact O-CB 2.83Å; T91-I94 WeakPolarHBondContact O-CG1 3.32Å; T91-I94 PolarHBondContact O-N 3.43Å; T91-I94 VanDerWaalsContact O-N 3.12Å; D92-I94 PolarHBondContact O-N 3.45Å; I94-R97 PolarHBondContact O-N 3.45Å; I94-K98 WeakPolarHBondContact O-CG 3.5Å; I94-K98 PolarHBondContact O-N 2.87Å; I94-K98 VanDerWaalsContact O-N 3.13Å; I94-W138 HydrophobicContact CG1-CZ2 4.19Å |
| 95 | D | 93.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -73.5 | -32.2 | -179.5 | -70.4 | -22.7 | 0 | 0 | 0 | 111.6 | D92 K98 Q99 | D92-D95 PolarHBondContact O-N 2.95Å; D95-K98 PolarHBondContact O-N 2.9Å; D95-K98 IonicContact OD1-NZ 3.7Å; D95-K98 PolarHBondContact OD1-NZ 2.97Å; D95-Q99 PolarHBondContact O-N 2.91Å |
| 96 | L | 93.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 173.3 | -170.6 | 54.8 | 0 | 0 | 0 | 111.9 | L9 T61 M72 L80 D92 L93 Q99 I100 | L9-L96 HydrophobicContact CB-CD2 3.53Å; L9-L96 HydrophobicContact CB-CG 4.35Å; L9-L96 HydrophobicContact CD1-CD1 4.32Å; L9-L96 HydrophobicContact CD1-CG 4.46Å; T61-L96 HydrophobicContact CG2-CD1 4.01Å; T61-L96 HydrophobicContact CG2-CD2 3.52Å; T61-L96 HydrophobicContact CG2-CG 4.31Å; M72-L96 HydrophobicContact CE-CD1 3.46Å; M72-L96 VanDerWaalsContact CE-CD1 3.46Å; L80-L96 HydrophobicContact CD2-CD2 3.77Å; L80-L96 HydrophobicContact CD2-CG 4Å; D92-L96 PolarHBondContact O-N 3.32Å; L93-L96 HydrophobicContact CD2-CD2 4.09Å; L93-L96 PolarHBondContact O-N 3.48Å; L96-Q99 PolarHBondContact O-N 2.84Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 2.75Å; L96-I100 VanDerWaalsContact O-N 3.08Å |
| 97 | R | 97 | Very high | 96.4 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.6 | 179.2 | 176.4 | 176 | -123.7 | 0.5 | 111.7 | L80 L93 I94 Q99 I100 L101 F109 W138 | L80-R97 HydrophobicContact CD1-CB 3.99Å; L93-R97 WeakPolarHBondContact O-CB 3.22Å; L93-R97 PolarHBondContact O-N 3.42Å; I94-R97 PolarHBondContact O-N 3.45Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.68Å; R97-I100 PolarHBondContact O-N 3.36Å; R97-L101 HydrophobicContact CG-CD1 4.23Å; R97-L101 WeakPolarHBondContact O-CG 3.32Å; R97-L101 PolarHBondContact O-N 2.86Å; R97-F109 HydrophobicContact CG-CZ 4.33Å; R97-W138 HydrophobicContact CB-CH2 4.03Å; R97-W138 HydrophobicContact CB-CZ2 4.23Å; R97-W138 HydrophobicContact CB-CZ3 4.33Å; R97-W138 VanDerWaalsContact CD-CE3 3.45Å; R97-W138 VanDerWaalsContact CZ-CB 3.49Å; R97-W138 VanDerWaalsContact CZ-CD1 3.5Å; R97-W138 PolarHBondContact NH2-O 3.1Å |
| 98 | K | 95.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 176.5 | -71.4 | 172.1 | -169.3 | 160.1 | 0 | 111.7 | I94 D95 L101 R102 | I94-K98 WeakPolarHBondContact O-CG 3.5Å; I94-K98 PolarHBondContact O-N 2.87Å; I94-K98 VanDerWaalsContact O-N 3.13Å; D95-K98 PolarHBondContact O-N 2.9Å; D95-K98 IonicContact OD1-NZ 3.7Å; D95-K98 PolarHBondContact OD1-NZ 2.97Å; K98-L101 PolarHBondContact O-N 3.31Å; K98-R102 WeakPolarHBondContact O-CB 3.28Å; K98-R102 PolarHBondContact O-N 3.02Å |
| 99 | Q | 93.9 | Very high | 96.2 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.5 | -171.9 | 176.9 | -3.8 | 0 | 0 | 111.5 | D69 M72 D95 L96 R97 L101 R102 V103 | D69-Q99 PolarHBondContact OD1-NE2 3.46Å; D69-Q99 VanDerWaalsContact OD1-NE2 3.1Å; M72-Q99 HydrophobicContact CE-CB 4.34Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.24Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; D95-Q99 PolarHBondContact O-N 2.91Å; L96-Q99 PolarHBondContact O-N 2.84Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.68Å; Q99-L101 PolarHBondContact O-N 3.04Å; Q99-R102 PolarHBondContact O-N 3.09Å; Q99-V103 HydrophobicContact CG-CG2 4.24Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 2.83Å |
| 100 | I | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 177.7 | -61.9 | 163 | 0 | 0 | 0 | 110.7 | L9 M72 F78 L80 L96 R97 R102 V103 K104 F109 | L9-I100 HydrophobicContact CD1-CD1 3.77Å; L9-I100 HydrophobicContact CD1-CG1 4.34Å; M72-I100 HydrophobicContact CE-CG1 4.01Å; M72-I100 HydrophobicContact CG-CG1 3.96Å; M72-I100 HydrophobicContact SD-CG1 3.88Å; F78-I100 HydrophobicContact CD1-CD1 4Å; F78-I100 HydrophobicContact CD2-CG2 4.3Å; F78-I100 HydrophobicContact CE1-CG2 4.44Å; F78-I100 HydrophobicContact CE2-CG2 4.09Å; F78-I100 HydrophobicContact CG-CD1 4.21Å; F78-I100 HydrophobicContact CZ-CG2 4.17Å; L80-I100 HydrophobicContact CD2-CD1 3.91Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 2.75Å; L96-I100 VanDerWaalsContact O-N 3.08Å; R97-I100 PolarHBondContact O-N 3.36Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.89Å; I100-V103 PolarHBondContact O-N 2.9Å; I100-K104 HydrophobicContact CG2-CD 3.91Å; I100-K104 HydrophobicContact CG2-CG 4.07Å; I100-K104 WeakPolarHBondContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CG 3.31Å; I100-K104 PolarHBondContact O-N 3.47Å; I100-F109 HydrophobicContact CB-CE1 3.97Å; I100-F109 HydrophobicContact CB-CZ 3.83Å; I100-F109 HydrophobicContact CD1-CE2 4.27Å; I100-F109 HydrophobicContact CD1-CZ 4.01Å; I100-F109 HydrophobicContact CG2-CD1 3.87Å; I100-F109 HydrophobicContact CG2-CD2 4.14Å; I100-F109 HydrophobicContact CG2-CE1 3.53Å; I100-F109 HydrophobicContact CG2-CE2 3.79Å; I100-F109 HydrophobicContact CG2-CG 4.17Å; I100-F109 HydrophobicContact CG2-CZ 3.48Å; I100-F109 VanDerWaalsContact CG2-CZ 3.48Å |
| 101 | L | 97.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.2 | -47.4 | 177.1 | -69.8 | 169.1 | 0 | 0 | 0 | 111.2 | R97 K98 Q99 K104 D105 V106 D107 F109 | R97-L101 HydrophobicContact CG-CD1 4.23Å; R97-L101 WeakPolarHBondContact O-CG 3.32Å; R97-L101 PolarHBondContact O-N 2.86Å; K98-L101 PolarHBondContact O-N 3.31Å; Q99-L101 PolarHBondContact O-N 3.04Å; L101-K104 PolarHBondContact O-N 3.38Å; L101-D105 WeakPolarHBondContact O-CA 3.4Å; L101-D105 PolarHBondContact O-N 2.89Å; L101-V106 WeakPolarHBondContact CD2-O 3.17Å; L101-D107 WeakPolarHBondContact CD2-O 3.45Å; L101-F109 HydrophobicContact CD2-CD1 3.78Å; L101-F109 HydrophobicContact CD2-CE1 3.67Å; L101-F109 HydrophobicContact CG-CD1 4.47Å; L101-F109 HydrophobicContact CG-CE1 3.92Å |
| 102 | R | 96 | Very high | 96.3 | Very high | 171 Ų | 171 | 59 Ų | 59 | 65% | 0.645 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 178.9 | -174.9 | -178.3 | 69.4 | -133.4 | 3.3 | 112.9 | K98 Q99 I100 | K98-R102 WeakPolarHBondContact O-CB 3.28Å; K98-R102 PolarHBondContact O-N 3.02Å; Q99-R102 PolarHBondContact O-N 3.09Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.89Å |
| 103 | V | 95.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | -178.1 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | D69 M72 K73 Q99 I100 | D69-V103 HydrophobicContact CB-CG1 4.27Å; D69-V103 HydrophobicContact CB-CG2 4.2Å; D69-V103 WeakPolarHBondContact O-CG1 3.44Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å; M72-V103 HydrophobicContact CB-CB 4.09Å; M72-V103 HydrophobicContact CB-CG1 3.77Å; M72-V103 HydrophobicContact SD-CG2 4.29Å; K73-V103 HydrophobicContact CB-CG1 3.98Å; Q99-V103 HydrophobicContact CG-CG2 4.24Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 2.83Å; I100-V103 PolarHBondContact O-N 2.9Å |
| 104 | K | 95.2 | Very high | 96.5 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -83 | -19.2 | 179.4 | -64.5 | -159.1 | 84 | 71.4 | 0 | 113.5 | M72 K73 G75 F78 I100 L101 V106 F109 | M72-K104 WeakPolarHBondContact O-CG 3.49Å; M72-K104 PolarHBondContact O-NZ 3.26Å; K73-K104 PolarHBondContact O-NZ 3.39Å; G75-K104 PolarHBondContact O-NZ 3.19Å; F78-K104 HydrophobicContact CE2-CD 3.88Å; F78-K104 HydrophobicContact CZ-CD 4.21Å; I100-K104 HydrophobicContact CG2-CD 3.91Å; I100-K104 HydrophobicContact CG2-CG 4.07Å; I100-K104 WeakPolarHBondContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CG 3.31Å; I100-K104 PolarHBondContact O-N 3.47Å; L101-K104 PolarHBondContact O-N 3.38Å; K104-V106 HydrophobicContact CB-CG2 3.74Å; K104-F109 HydrophobicContact CD-CB 4.25Å; K104-F109 HydrophobicContact CD-CG 4.5Å |
| 105 | D | 96.6 | Very high | 96.6 | Very high | 148 Ų | 148 | 52.3 Ų | 52.3 | 79% | 0.791 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 51.2 | -175.7 | -163 | 34.1 | 0 | 0 | 0 | 111.9 | L101 | L101-D105 WeakPolarHBondContact O-CA 3.4Å; L101-D105 PolarHBondContact O-N 2.89Å |
| 106 | V | 96.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 38% | 0.376 | 23% | 0.228 | S | C | . | . | trans | -140.9 | 154.6 | 179.8 | -62 | 0 | 0 | 0 | 0 | 110.8 | L101 K104 F109 | L101-V106 WeakPolarHBondContact CD2-O 3.17Å; K104-V106 HydrophobicContact CB-CG2 3.74Å; V106-F109 HydrophobicContact CG2-CB 4.33Å; V106-F109 HydrophobicContact CG2-CD1 4.48Å | ||
| 107 | D | 94.8 | Very high | 97 | Very high | 150 Ų | 150 | 50 Ų | 50 | 80% | 0.802 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -78.5 | -28.9 | 174.8 | -61.2 | -49 | 0 | 0 | 0 | 112.9 | L101 | L101-D107 WeakPolarHBondContact CD2-O 3.45Š|
| 108 | E | 95.5 | Very high | 97.1 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | trans | -146.9 | 140.8 | -176.8 | -63.1 | -178.9 | -178.9 | 0 | 0 | 111.8 | K167 | E108-K167 PolarHBondContact O-NZ 2.72Š| ||
| 109 | F | 97.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | trans | -136.2 | 158.9 | 175.1 | 57.9 | -91.2 | 0 | 0 | 0 | 110.7 | F78 R97 I100 L101 K104 V106 L111 | F78-F109 HydrophobicContact CB-CD2 4.43Å; F78-F109 HydrophobicContact CB-CE2 3.99Å; F78-F109 AromaticContact CD2-CD2 3.46Å; F78-F109 HydrophobicContact CD2-CD2 3.46Å; F78-F109 VanDerWaalsContact CD2-CD2 3.46Å; F78-F109 AromaticContact CD2-CE2 3.71Å; F78-F109 HydrophobicContact CD2-CE2 3.71Å; F78-F109 HydrophobicContact CD2-CG 4.4Å; F78-F109 HydrophobicContact CE2-CD2 4.12Å; F78-F109 HydrophobicContact CG-CD2 4.23Å; F78-F109 HydrophobicContact CG-CE2 4.03Å; R97-F109 HydrophobicContact CG-CZ 4.33Å; I100-F109 HydrophobicContact CB-CE1 3.97Å; I100-F109 HydrophobicContact CB-CZ 3.83Å; I100-F109 HydrophobicContact CD1-CE2 4.27Å; I100-F109 HydrophobicContact CD1-CZ 4.01Å; I100-F109 HydrophobicContact CG2-CD1 3.87Å; I100-F109 HydrophobicContact CG2-CD2 4.14Å; I100-F109 HydrophobicContact CG2-CE1 3.53Å; I100-F109 HydrophobicContact CG2-CE2 3.79Å; I100-F109 HydrophobicContact CG2-CG 4.17Å; I100-F109 HydrophobicContact CG2-CZ 3.48Å; I100-F109 VanDerWaalsContact CG2-CZ 3.48Å; L101-F109 HydrophobicContact CD2-CD1 3.78Å; L101-F109 HydrophobicContact CD2-CE1 3.67Å; L101-F109 HydrophobicContact CG-CD1 4.47Å; L101-F109 HydrophobicContact CG-CE1 3.92Å; K104-F109 HydrophobicContact CD-CB 4.25Å; K104-F109 HydrophobicContact CD-CG 4.5Å; V106-F109 HydrophobicContact CG2-CB 4.33Å; V106-F109 HydrophobicContact CG2-CD1 4.48Å; F109-L111 HydrophobicContact CD2-CB 4Å; F109-L111 HydrophobicContact CE2-CB 3.75Å; F109-L111 HydrophobicContact CE2-CD1 4.03Å; F109-L111 HydrophobicContact CE2-CD2 4.03Å; F109-L111 HydrophobicContact CE2-CG 4.15Å; F109-L111 HydrophobicContact CZ-CD2 4.03Å; F109-L111 PolarHBondContact O-N 3.46Å | ||
| 110 | P | 98.7 | Very high | 97.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -57.3 | 119.1 | 174.3 | -26.1 | 36.8 | 0 | 0 | 0 | 111.4 | Q76 G77 F78 L160 Q163 I164 K167 | Q76-P110 WeakPolarHBondContact O-CD 3.38Å; Q76-P110 VanDerWaalsContact O-CG 3.3Å; Q76-P110 WeakPolarHBondContact O-CG 3.09Å; G77-P110 WeakPolarHBondContact CA-O 3.46Å; F78-P110 PolarHBondContact N-O 2.89Å; P110-L160 HydrophobicContact CB-CD1 3.97Å; P110-L160 WeakPolarHBondContact O-CD1 3.28Å; P110-Q163 HydrophobicContact CB-CB 3.89Å; P110-I164 HydrophobicContact CB-CG1 3.81Å; P110-I164 HydrophobicContact CG-CG1 3.79Å; P110-K167 HydrophobicContact CG-CD 4.04Å | ||
| 111 | L | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 134.4 | -169 | 172.9 | 59.1 | 0 | 0 | 0 | 110.3 | F78 L80 F109 W138 C140 Q163 | F78-L111 HydrophobicContact CB-CD1 4.34Å; F78-L111 WeakPolarHBondContact O-CA 3.39Å; L80-L111 HydrophobicContact CB-CD1 4.01Å; L80-L111 HydrophobicContact CD1-CD1 3.69Å; L80-L111 HydrophobicContact CD1-CD2 4.29Å; L80-L111 HydrophobicContact CG-CD1 3.46Å; L80-L111 VanDerWaalsContact CG-CD1 3.46Å; F109-L111 HydrophobicContact CD2-CB 4Å; F109-L111 HydrophobicContact CE2-CB 3.75Å; F109-L111 HydrophobicContact CE2-CD1 4.03Å; F109-L111 HydrophobicContact CE2-CD2 4.03Å; F109-L111 HydrophobicContact CE2-CG 4.15Å; F109-L111 HydrophobicContact CZ-CD2 4.03Å; F109-L111 PolarHBondContact O-N 3.46Å; L111-W138 HydrophobicContact CD2-CE3 4.06Å; L111-C140 HydrophobicContact CB-CB 3.96Å; L111-C140 HydrophobicContact CD2-CB 3.87Å; L111-C140 HydrophobicContact CG-CB 3.79Å; L111-Q163 PolarHBondContact O-NE2 2.94Å; L111-Q163 VanDerWaalsContact O-NE2 3.09Å; L111-Q163 PolarHBondContact O-OE1 2.71Å |
| 112 | V | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.1 | 162.6 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | F78 L79 L80 V114 H141 I156 D159 L160 | F78-V112 PolarHBondContact O-N 2.91Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG2 4.17Å; L80-V112 PolarHBondContact N-O 2.92Å; V112-V114 HydrophobicContact CB-CG2 4.37Å; V112-V114 HydrophobicContact CG1-CG2 3.93Å; V112-H141 WeakPolarHBondContact CA-O 3.45Å; V112-H141 HydrophobicContact CG2-CB 4.5Å; V112-I156 HydrophobicContact CG1-CB 4.41Å; V112-I156 HydrophobicContact CG1-CG2 4.14Å; V112-D159 HydrophobicContact CG2-CB 4.45Å; V112-D159 VanDerWaalsContact CG2-OD2 3.32Å; V112-D159 WeakPolarHBondContact CG2-OD2 3.48Å; V112-L160 HydrophobicContact CG2-CB 4.34Å; V112-L160 HydrophobicContact CG2-CD1 4.27Å |
| 113 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.1 | 168.1 | 178.9 | 63.8 | 0 | 0 | 0 | 108.8 | L80 Y82 F90 L93 G131 L134 A135 W138 H141 F142 A143 | L80-L113 HydrophobicContact CB-CD1 4.45Å; Y82-L113 HydrophobicContact CD1-CD1 4.07Å; Y82-L113 HydrophobicContact CE1-CD1 4.13Å; Y82-L113 HydrophobicContact CE1-CG 4.2Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; L93-L113 HydrophobicContact CD1-CD1 3.44Å; L93-L113 VanDerWaalsContact CD1-CD1 3.44Å; L113-G131 WeakPolarHBondContact CD2-O 3.32Å; L113-L134 HydrophobicContact CD2-CB 4.05Å; L113-L134 HydrophobicContact CD2-CD2 4Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; L113-A135 HydrophobicContact CB-CB 4.4Å; L113-A135 HydrophobicContact CD2-CB 4.07Å; L113-W138 HydrophobicContact CD1-CZ3 4Å; L113-H141 PolarHBondContact N-O 3.41Å; L113-F142 HydrophobicContact CB-CD2 4.29Å; L113-F142 HydrophobicContact CD2-CD2 4.19Å; L113-F142 HydrophobicContact CG-CD2 4.07Å; L113-F142 WeakPolarHBondContact O-CA 3.4Å; L113-F142 WeakPolarHBondContact O-CD2 3.19Å; L113-A143 PolarHBondContact O-N 2.93Å; L113-A143 VanDerWaalsContact O-N 3.12Å |
| 114 | V | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 113.5 | -170.5 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | L19 L79 L80 V81 Y82 V112 A143 T145 I156 | L19-V114 HydrophobicContact CD1-CG1 4.1Å; L79-V114 HydrophobicContact CB-CG2 4.43Å; L79-V114 HydrophobicContact CD2-CG2 4.15Å; L80-V114 PolarHBondContact O-N 3.12Å; V81-V114 WeakPolarHBondContact CA-O 3.32Å; V81-V114 HydrophobicContact CB-CB 4.49Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.28Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; Y82-V114 WeakPolarHBondContact CD1-O 3.04Å; Y82-V114 PolarHBondContact N-O 2.97Å; V112-V114 HydrophobicContact CB-CG2 4.37Å; V112-V114 HydrophobicContact CG1-CG2 3.93Å; V114-A143 WeakPolarHBondContact CA-O 3.33Å; V114-T145 HydrophobicContact CG1-CG2 3.68Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.36Å; V114-I156 HydrophobicContact CG1-CD1 4.27Å; V114-I156 HydrophobicContact CG2-CB 4.44Å; V114-I156 HydrophobicContact CG2-CD1 4.16Å; V114-I156 HydrophobicContact CG2-CG2 4.11Å |
| 115 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 97.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A143 E144 T145 | G115-A143 PolarHBondContact N-O 3.31Å; G115-E144 CarbonylContact O-C 3.47Å; G115-E144 WeakPolarHBondContact O-CA 3.5Å; G115-T145 PolarHBondContact O-N 3.17Å |
| 116 | N | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 164.9 | -177.8 | -170.6 | 34.3 | 0 | 0 | 0 | 112.6 | V14 L19 V81 Y82 I84 T145 A147 | V14-N116 PolarHBondContact O-ND2 2.93Å; L19-N116 HydrophobicContact CD1-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.8Å; Y82-N116 PolarHBondContact O-N 3.32Å; I84-N116 WeakPolarHBondContact CG1-O 3.27Å; I84-N116 PolarHBondContact N-O 2.95Å; N116-T145 CarbonylContact C-O 3.59Å; N116-T145 WeakPolarHBondContact CA-O 3.37Å; N116-T145 WeakPolarHBondContact CA-OG1 3.31Å; N116-T145 PolarHBondContact OD1-O 3.22Å; N116-T145 PolarHBondContact OD1-OG1 2.87Å; N116-A147 PolarHBondContact OD1-N 3.29Å |
| 117 | K | 98.6 | Very high | 98.3 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | 69.3 | 35.2 | -177.3 | -45.7 | -170.6 | -166.7 | 173.2 | 0 | 113.6 | G13 S83 I84 D119 L120 T145 | G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 2.86Å; S83-K117 WeakPolarHBondContact OG-CD 3.49Å; I84-K117 WeakPolarHBondContact CD1-O 3.08Å; I84-K117 WeakPolarHBondContact CG1-O 3.21Å; K117-D119 WeakPolarHBondContact CA-OD1 3.37Å; K117-D119 PolarHBondContact O-N 3.15Å; K117-L120 HydrophobicContact CB-CD1 4.05Å; K117-L120 HydrophobicContact CB-CG 4.32Å; K117-L120 HydrophobicContact CD-CD1 4.03Å; K117-L120 WeakPolarHBondContact O-CB 3.45Å; K117-L120 PolarHBondContact O-N 3.36Å; K117-T145 PolarHBondContact N-O 3.29Å | ||
| 118 | C | 98.7 | Very high | 98.5 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.3 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 114 | I84 L120 E144 T145 | I84-C118 HydrophobicContact CD1-CB 4.47Å; C118-L120 VanDerWaalsContact C-N 3.25Å; C118-E144 HydrophobicContact CB-CB 4.09Å; C118-T145 PolarHBondContact N-O 3.21Å; C118-T145 PolarHBondContact SG-O 2.73Å; C118-T145 VanDerWaalsContact SG-O 3.37Å |
| 119 | D | 98.5 | Very high | 98.6 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.7 | 167.5 | 57.2 | -71.2 | 0 | 0 | 0 | 113.5 | K117 E121 S146 K148 T149 | K117-D119 WeakPolarHBondContact CA-OD1 3.37Å; K117-D119 PolarHBondContact O-N 3.15Å; D119-E121 PolarHBondContact O-N 3.47Å; D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.39Å; D119-S146 PolarHBondContact OD1-OG 3.28Å; D119-K148 WeakPolarHBondContact OD2-CD 3.34Å; D119-T149 HydrophobicContact CB-CG2 3.94Å |
| 120 | L | 98.2 | Very high | 98.7 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | trans | -98.6 | 50.9 | 178.4 | -56.2 | -179.5 | 0 | 0 | 0 | 111.3 | T85 K117 C118 D122 E123 R124 | T85-L120 HydrophobicContact CG2-CB 3.7Å; T85-L120 HydrophobicContact CG2-CD1 4Å; K117-L120 HydrophobicContact CB-CD1 4.05Å; K117-L120 HydrophobicContact CB-CG 4.32Å; K117-L120 HydrophobicContact CD-CD1 4.03Å; K117-L120 WeakPolarHBondContact O-CB 3.45Å; K117-L120 PolarHBondContact O-N 3.36Å; C118-L120 VanDerWaalsContact C-N 3.25Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.46Å; L120-E123 HydrophobicContact CB-CB 4.25Å; L120-E123 PolarHBondContact O-N 3.06Å; L120-R124 PolarHBondContact O-N 3.38Å | ||
| 121 | E | 98.3 | Very high | 98.7 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -59.6 | -39.4 | -174.5 | -168.7 | 61.1 | -150.4 | 0 | 0 | 112.6 | D119 E123 R124 | D119-E121 PolarHBondContact O-N 3.47Å; E121-E123 PolarHBondContact O-N 3.01Å; E121-E123 VanDerWaalsContact O-N 3.17Å; E121-R124 WeakPolarHBondContact O-CB 3.48Å; E121-R124 PolarHBondContact O-N 3.43Å; E121-R124 WeakPolarHBondContact OE1-CD 3.34Å; E121-R124 IonicContact OE1-CZ 3.88Å; E121-R124 IonicContact OE1-NE 2.75Å; E121-R124 PolarHBondContact OE1-NE 3.4Å; E121-R124 IonicContact OE1-NH2 2.8Å; E121-R124 IonicContact OE2-CZ 2.79Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 3.29Å; E121-R124 PolarHBondContact OE2-NE 3.11Å; E121-R124 IonicContact OE2-NH2 3.37Å; E121-R124 PolarHBondContact OE2-NH2 2.8Å |
| 122 | D | 98.4 | Very high | 98.7 | Very high | 175 Ų | 175 | 50.9 Ų | 50.9 | 94% | 0.936 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -65.3 | -17.8 | 177.9 | -62.6 | -35.9 | 0 | 0 | 0 | 113.1 | L120 | L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.46Å |
| 123 | E | 98.6 | Very high | 98.7 | Very high | 123 Ų | 123 | 55.3 Ų | 55.3 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -102.8 | 5.6 | 177.3 | -61.8 | 178.9 | -134.7 | 0 | 0 | 112.6 | T85 L120 E121 S125 | T85-E123 WeakPolarHBondContact CA-O 3.38Å; T85-E123 WeakPolarHBondContact CB-O 3.02Å; T85-E123 HydrophobicContact CG2-CB 3.66Å; L120-E123 HydrophobicContact CB-CB 4.25Å; L120-E123 PolarHBondContact O-N 3.06Å; E121-E123 PolarHBondContact O-N 3.01Å; E121-E123 VanDerWaalsContact O-N 3.17Å; E123-S125 PolarHBondContact O-N 2.93Å |
| 124 | R | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 56 Ų | 56 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | trans | -60.8 | 123.2 | -175.7 | -178.6 | -179.4 | -70.2 | -87.9 | 7.6 | 111.2 | I84 L120 E121 V126 E144 | I84-R124 HydrophobicContact CD1-CB 4.1Å; I84-R124 HydrophobicContact CD1-CG 4.18Å; L120-R124 PolarHBondContact O-N 3.38Å; E121-R124 WeakPolarHBondContact O-CB 3.48Å; E121-R124 PolarHBondContact O-N 3.43Å; E121-R124 WeakPolarHBondContact OE1-CD 3.34Å; E121-R124 IonicContact OE1-CZ 3.88Å; E121-R124 IonicContact OE1-NE 2.75Å; E121-R124 PolarHBondContact OE1-NE 3.4Å; E121-R124 IonicContact OE1-NH2 2.8Å; E121-R124 IonicContact OE2-CZ 2.79Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 3.29Å; E121-R124 PolarHBondContact OE2-NE 3.11Å; E121-R124 IonicContact OE2-NH2 3.37Å; E121-R124 PolarHBondContact OE2-NH2 2.8Å; R124-V126 WeakPolarHBondContact CD-O 3.17Å; R124-V126 WeakPolarHBondContact CG-O 3.4Å; R124-V126 PolarHBondContact NH1-O 3.46Å; R124-E144 IonicContact CZ-OE1 3.66Å; R124-E144 IonicContact CZ-OE2 3.51Å; R124-E144 IonicContact NH1-OE1 3.04Å; R124-E144 PolarHBondContact NH1-OE1 3.34Å; R124-E144 IonicContact NH1-OE2 2.72Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 3.51Å; R124-E144 PolarHBondContact NH2-OE2 3.5Å | ||
| 125 | S | 98.5 | Very high | 98.6 | Very high | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -111.2 | -13.4 | 171.2 | 78.5 | 0 | 0 | 0 | 0 | 113.2 | I84 T85 S86 Q87 E123 | I84-S125 PolarHBondContact O-N 2.73Å; I84-S125 PolarHBondContact O-OG 2.63Å; T85-S125 PolarHBondContact O-OG 2.93Å; S86-S125 WeakPolarHBondContact CA-OG 3.11Å; S86-S125 PolarHBondContact N-OG 3.18Å; S86-S125 VanDerWaalsContact N-OG 3.13Å; Q87-S125 PolarHBondContact N-OG 3.26Å; E123-S125 PolarHBondContact O-N 2.93Å | ||
| 126 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -118.4 | 112.8 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | Y82 I84 Q87 F90 R124 Q130 | Y82-V126 HydrophobicContact CD2-CG1 4.42Å; Y82-V126 HydrophobicContact CD2-CG2 4.39Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.65Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; I84-V126 PolarHBondContact O-N 3.19Å; Q87-V126 HydrophobicContact CB-CG2 4.27Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 4.07Å; F90-V126 HydrophobicContact CD1-CG1 4.46Å; F90-V126 HydrophobicContact CD2-CG1 4.02Å; F90-V126 HydrophobicContact CE2-CG1 4.36Å; F90-V126 HydrophobicContact CG-CG1 4.04Å; R124-V126 WeakPolarHBondContact CD-O 3.17Å; R124-V126 WeakPolarHBondContact CG-O 3.4Å; R124-V126 PolarHBondContact NH1-O 3.46Å; V126-Q130 HydrophobicContact CG1-CB 4.1Å |
| 127 | G | 98.6 | Very high | 98.6 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | trans | -65.7 | 145.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E129 Q130 G131 | G127-E129 PolarHBondContact O-N 2.89Å; G127-Q130 WeakPolarHBondContact O-CB 3.38Å; G127-Q130 PolarHBondContact O-N 3.46Å; G127-G131 PolarHBondContact O-N 3.49Å | ||
| 128 | T | 98.7 | Very high | 98.6 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.8 | -37.6 | 177.8 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | Q130 G131 R132 F142 E144 | T128-Q130 VanDerWaalsContact C-N 3.32Å; T128-Q130 PolarHBondContact O-N 3.42Å; T128-G131 PolarHBondContact O-N 3.06Å; T128-R132 PolarHBondContact O-N 3.33Å; T128-F142 HydrophobicContact CG2-CE1 3.9Å; T128-F142 HydrophobicContact CG2-CZ 4.37Å; T128-E144 VanDerWaalsContact CA-OE1 3.28Å; T128-E144 WeakPolarHBondContact CA-OE1 3.4Å; T128-E144 VanDerWaalsContact CB-OE1 3.31Å; T128-E144 WeakPolarHBondContact CB-OE1 3.37Å; T128-E144 HydrophobicContact CG2-CG 4.43Å; T128-E144 PolarHBondContact OG1-OE1 2.92Å; T128-E144 PolarHBondContact OG1-OE2 2.79Å |
| 129 | E | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -27.8 | 177.8 | -67.2 | -54.8 | 113 | 0 | 0 | 113.1 | G127 R132 N133 | G127-E129 PolarHBondContact O-N 2.89Å; E129-R132 PolarHBondContact O-N 3.31Å; E129-R132 IonicContact OE1-NE 3.03Å; E129-R132 PolarHBondContact OE1-NE 3.09Å; E129-N133 WeakPolarHBondContact O-CB 3.35Å; E129-N133 PolarHBondContact O-N 3.32Å; E129-N133 PolarHBondContact O-ND2 3.29Å; E129-N133 VanDerWaalsContact O-ND2 3.1Å |
| 130 | Q | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 70 Ų | 70 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 172 | -66.3 | 172 | -102.1 | 0 | 0 | 110.6 | F90 V126 G127 T128 N133 L134 | F90-Q130 HydrophobicContact CZ-CB 4.29Å; V126-Q130 HydrophobicContact CG1-CB 4.1Å; G127-Q130 WeakPolarHBondContact O-CB 3.38Å; G127-Q130 PolarHBondContact O-N 3.46Å; T128-Q130 VanDerWaalsContact C-N 3.32Å; T128-Q130 PolarHBondContact O-N 3.42Å; Q130-N133 PolarHBondContact O-N 3.12Å; Q130-L134 WeakPolarHBondContact O-CB 3.46Å; Q130-L134 PolarHBondContact O-N 2.84Å |
| 131 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L113 G127 T128 N133 L134 A135 | L113-G131 WeakPolarHBondContact CD2-O 3.32Å; G127-G131 PolarHBondContact O-N 3.49Å; T128-G131 PolarHBondContact O-N 3.06Å; G131-N133 PolarHBondContact O-N 2.93Å; G131-L134 PolarHBondContact O-N 2.69Å; G131-A135 WeakPolarHBondContact O-CB 3.44Å; G131-A135 PolarHBondContact O-N 3.26Å |
| 132 | R | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 69.4 Ų | 69.4 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.1 | -169.8 | 179.4 | -58.6 | -70.3 | -4.1 | 112.5 | T128 E129 A135 N136 F142 | T128-R132 PolarHBondContact O-N 3.33Å; E129-R132 PolarHBondContact O-N 3.31Å; E129-R132 IonicContact OE1-NE 3.03Å; E129-R132 PolarHBondContact OE1-NE 3.09Å; R132-A135 PolarHBondContact O-N 3.11Å; R132-N136 WeakPolarHBondContact O-CB 3.36Å; R132-N136 PolarHBondContact O-N 2.91Å; R132-N136 PolarHBondContact O-ND2 3.28Å; R132-F142 HydrophobicContact CB-CD1 4.13Å; R132-F142 HydrophobicContact CB-CE1 4.34Å |
| 133 | N | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 62.1 Ų | 62.1 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 178.8 | -73.4 | -24.1 | 0 | 0 | 0 | 111.9 | E129 Q130 G131 N136 E137 | E129-N133 WeakPolarHBondContact O-CB 3.35Å; E129-N133 PolarHBondContact O-N 3.32Å; E129-N133 PolarHBondContact O-ND2 3.29Å; E129-N133 VanDerWaalsContact O-ND2 3.1Å; Q130-N133 PolarHBondContact O-N 3.12Å; G131-N133 PolarHBondContact O-N 2.93Å; N133-N136 PolarHBondContact O-N 2.87Å; N133-E137 PolarHBondContact O-N 2.93Å |
| 134 | L | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.1 | -172 | 67.1 | 0 | 0 | 0 | 111.4 | F90 L113 Q130 G131 N136 E137 W138 | F90-L134 HydrophobicContact CD2-CD2 4.4Å; F90-L134 HydrophobicContact CE1-CD2 4.04Å; F90-L134 HydrophobicContact CE2-CB 4.29Å; F90-L134 HydrophobicContact CE2-CD2 3.57Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.39Å; F90-L134 HydrophobicContact CZ-CG 4.17Å; L113-L134 HydrophobicContact CD2-CB 4.05Å; L113-L134 HydrophobicContact CD2-CD2 4Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; Q130-L134 WeakPolarHBondContact O-CB 3.46Å; Q130-L134 PolarHBondContact O-N 2.84Å; G131-L134 PolarHBondContact O-N 2.69Å; L134-N136 PolarHBondContact O-N 2.99Å; L134-E137 WeakPolarHBondContact O-CB 3.44Å; L134-E137 PolarHBondContact O-N 3.44Å; L134-W138 HydrophobicContact CD1-CD2 4.25Å; L134-W138 VanDerWaalsContact CD1-CE2 3.49Å; L134-W138 HydrophobicContact CD1-CZ2 3.75Å; L134-W138 VanDerWaalsContact CD1-NE1 3.25Å; L134-W138 HydrophobicContact CD2-CD2 4.47Å; L134-W138 HydrophobicContact CD2-CH2 3.75Å; L134-W138 HydrophobicContact CD2-CZ2 3.63Å; L134-W138 HydrophobicContact CD2-CZ3 4.21Å; L134-W138 HydrophobicContact CG-CD2 3.91Å; L134-W138 HydrophobicContact CG-CE3 4.34Å; L134-W138 HydrophobicContact CG-CG 4.41Å; L134-W138 HydrophobicContact CG-CH2 4.23Å; L134-W138 HydrophobicContact CG-CZ2 3.76Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CB 3.28Å; L134-W138 WeakPolarHBondContact O-CB 3.44Å; L134-W138 PolarHBondContact O-N 3.11Å |
| 135 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L113 G131 R132 W138 K139 C140 F142 | L113-A135 HydrophobicContact CB-CB 4.4Å; L113-A135 HydrophobicContact CD2-CB 4.07Å; G131-A135 WeakPolarHBondContact O-CB 3.44Å; G131-A135 PolarHBondContact O-N 3.26Å; R132-A135 PolarHBondContact O-N 3.11Å; A135-W138 CarbonylContact O-C 3.41Å; A135-W138 PolarHBondContact O-N 3.34Å; A135-K139 WeakPolarHBondContact O-CA 3.49Å; A135-K139 PolarHBondContact O-N 3.14Å; A135-C140 PolarHBondContact O-N 3.4Å; A135-F142 HydrophobicContact CB-CB 3.53Å; A135-F142 HydrophobicContact CB-CG 4.39Å |
| 136 | N | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 173.1 | -71.3 | -23.1 | 0 | 0 | 0 | 111.5 | R132 N133 L134 W138 K139 | R132-N136 WeakPolarHBondContact O-CB 3.36Å; R132-N136 PolarHBondContact O-N 2.91Å; R132-N136 PolarHBondContact O-ND2 3.28Å; N133-N136 PolarHBondContact O-N 2.87Å; L134-N136 PolarHBondContact O-N 2.99Å; N136-W138 PolarHBondContact O-N 2.97Å; N136-K139 PolarHBondContact O-N 3.3Å; N136-K139 VanDerWaalsContact O-N 3.15Å |
| 137 | E | 98.3 | Very high | 98.6 | Very high | 140 Ų | 140 | 52.7 Ų | 52.7 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.2 | -39.9 | 173.6 | -173.9 | -166.1 | 139.5 | 0 | 0 | 111 | N133 L134 K139 | N133-E137 PolarHBondContact O-N 2.93Å; L134-E137 WeakPolarHBondContact O-CB 3.44Å; L134-E137 PolarHBondContact O-N 3.44Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.48Å |
| 138 | W | 98.3 | Very high | 98.6 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -82.3 | -7 | -178.6 | -67.6 | 11 | 0 | 0 | 0 | 114 | L80 L93 I94 R97 L111 L113 L134 A135 N136 C140 | L80-W138 HydrophobicContact CD1-CH2 4.38Å; L80-W138 HydrophobicContact CD1-CZ3 3.84Å; L93-W138 HydrophobicContact CB-CH2 3.88Å; I94-W138 HydrophobicContact CG1-CZ2 4.19Å; R97-W138 HydrophobicContact CB-CH2 4.03Å; R97-W138 HydrophobicContact CB-CZ2 4.23Å; R97-W138 HydrophobicContact CB-CZ3 4.33Å; R97-W138 VanDerWaalsContact CD-CE3 3.45Å; R97-W138 VanDerWaalsContact CZ-CB 3.49Å; R97-W138 VanDerWaalsContact CZ-CD1 3.5Å; R97-W138 PolarHBondContact NH2-O 3.1Å; L111-W138 HydrophobicContact CD2-CE3 4.06Å; L113-W138 HydrophobicContact CD1-CZ3 4Å; L134-W138 HydrophobicContact CD1-CD2 4.25Å; L134-W138 VanDerWaalsContact CD1-CE2 3.49Å; L134-W138 HydrophobicContact CD1-CZ2 3.75Å; L134-W138 VanDerWaalsContact CD1-NE1 3.25Å; L134-W138 HydrophobicContact CD2-CD2 4.47Å; L134-W138 HydrophobicContact CD2-CH2 3.75Å; L134-W138 HydrophobicContact CD2-CZ2 3.63Å; L134-W138 HydrophobicContact CD2-CZ3 4.21Å; L134-W138 HydrophobicContact CG-CD2 3.91Å; L134-W138 HydrophobicContact CG-CE3 4.34Å; L134-W138 HydrophobicContact CG-CG 4.41Å; L134-W138 HydrophobicContact CG-CH2 4.23Å; L134-W138 HydrophobicContact CG-CZ2 3.76Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CB 3.28Å; L134-W138 WeakPolarHBondContact O-CB 3.44Å; L134-W138 PolarHBondContact O-N 3.11Å; A135-W138 CarbonylContact O-C 3.41Å; A135-W138 PolarHBondContact O-N 3.34Å; N136-W138 PolarHBondContact O-N 2.97Å; W138-C140 HydrophobicContact CB-CB 4.49Å; W138-C140 PolarHBondContact O-N 3.04Å |
| 139 | K | 97.6 | Very high | 98.6 | Very high | 162 Ų | 162 | 59 Ų | 59 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40 | -171.9 | -55.2 | 177.3 | -175 | 172.2 | 0 | 112.5 | A135 N136 E137 | A135-K139 WeakPolarHBondContact O-CA 3.49Å; A135-K139 PolarHBondContact O-N 3.14Å; N136-K139 PolarHBondContact O-N 3.3Å; N136-K139 VanDerWaalsContact O-N 3.15Å; E137-K139 VanDerWaalsContact C-N 3.28Å; E137-K139 PolarHBondContact O-N 3.48Å |
| 140 | C | 98.5 | Very high | 98.6 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 12% | 0.122 | 28% | 0.284 | C | S | . | . | trans | -119.3 | 167.2 | 178 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | L111 A135 W138 | L111-C140 HydrophobicContact CB-CB 3.96Å; L111-C140 HydrophobicContact CD2-CB 3.87Å; L111-C140 HydrophobicContact CG-CB 3.79Å; A135-C140 PolarHBondContact O-N 3.4Å; W138-C140 HydrophobicContact CB-CB 4.49Å; W138-C140 PolarHBondContact O-N 3.04Å | ||
| 141 | H | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 47% | 0.468 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 155.1 | 174.3 | -67.6 | -177.2 | 0 | 0 | 0 | 110.9 | V112 L113 D159 Q163 | V112-H141 WeakPolarHBondContact CA-O 3.45Å; V112-H141 HydrophobicContact CG2-CB 4.5Å; L113-H141 PolarHBondContact N-O 3.41Å; H141-D159 WeakPolarHBondContact CB-OD2 3.46Å; H141-D159 IonicContact CE1-OD1 3.5Å; H141-D159 PolarHBondContact CE1-OD1 3.21Å; H141-D159 IonicContact CE1-OD2 3.21Å; H141-D159 IonicContact CG-OD2 3.55Å; H141-D159 IonicContact ND1-OD1 2.71Å; H141-D159 PolarHBondContact ND1-OD1 3.25Å; H141-D159 IonicContact ND1-OD2 2.76Å; H141-D159 PolarHBondContact ND1-OD2 3.16Å; H141-Q163 PolarHBondContact ND1-NE2 2.76Å |
| 142 | F | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.4 | 178.4 | 170.2 | -113.7 | 0 | 0 | 0 | 110.8 | Y82 L113 T128 R132 A135 E144 | Y82-F142 HydrophobicContact CE1-CE2 4.29Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.34Å; L113-F142 HydrophobicContact CB-CD2 4.29Å; L113-F142 HydrophobicContact CD2-CD2 4.19Å; L113-F142 HydrophobicContact CG-CD2 4.07Å; L113-F142 WeakPolarHBondContact O-CA 3.4Å; L113-F142 WeakPolarHBondContact O-CD2 3.19Å; T128-F142 HydrophobicContact CG2-CE1 3.9Å; T128-F142 HydrophobicContact CG2-CZ 4.37Å; R132-F142 HydrophobicContact CB-CD1 4.13Å; R132-F142 HydrophobicContact CB-CE1 4.34Å; A135-F142 HydrophobicContact CB-CB 3.53Å; A135-F142 HydrophobicContact CB-CG 4.39Å; F142-E144 HydrophobicContact CE1-CG 4.12Å; F142-E144 HydrophobicContact CE2-CG 4.28Å; F142-E144 HydrophobicContact CZ-CG 3.52Å |
| 143 | A | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 141.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L113 V114 G115 I156 | L113-A143 PolarHBondContact O-N 2.93Å; L113-A143 VanDerWaalsContact O-N 3.12Å; V114-A143 WeakPolarHBondContact CA-O 3.33Å; G115-A143 PolarHBondContact N-O 3.31Å; A143-I156 HydrophobicContact CB-CG2 3.77Å |
| 144 | E | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 141.6 | 161.3 | -65.9 | -168 | 167.4 | 0 | 0 | 109.7 | G115 C118 R124 T128 F142 N152 | G115-E144 CarbonylContact O-C 3.47Å; G115-E144 WeakPolarHBondContact O-CA 3.5Å; C118-E144 HydrophobicContact CB-CB 4.09Å; R124-E144 IonicContact CZ-OE1 3.66Å; R124-E144 IonicContact CZ-OE2 3.51Å; R124-E144 IonicContact NH1-OE1 3.04Å; R124-E144 PolarHBondContact NH1-OE1 3.34Å; R124-E144 IonicContact NH1-OE2 2.72Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 3.51Å; R124-E144 PolarHBondContact NH2-OE2 3.5Å; T128-E144 VanDerWaalsContact CA-OE1 3.28Å; T128-E144 WeakPolarHBondContact CA-OE1 3.4Å; T128-E144 VanDerWaalsContact CB-OE1 3.31Å; T128-E144 WeakPolarHBondContact CB-OE1 3.37Å; T128-E144 HydrophobicContact CG2-CG 4.43Å; T128-E144 PolarHBondContact OG1-OE1 2.92Å; T128-E144 PolarHBondContact OG1-OE2 2.79Å; F142-E144 HydrophobicContact CE1-CG 4.12Å; F142-E144 HydrophobicContact CE2-CG 4.28Å; F142-E144 HydrophobicContact CZ-CG 3.52Å; E144-N152 WeakPolarHBondContact O-CB 3.18Å; E144-N152 PolarHBondContact O-ND2 3.11Å |
| 145 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.6 | -173.4 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | V114 G115 N116 K117 C118 S151 N152 I156 | V114-T145 HydrophobicContact CG1-CG2 3.68Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.36Å; G115-T145 PolarHBondContact O-N 3.17Å; N116-T145 CarbonylContact C-O 3.59Å; N116-T145 WeakPolarHBondContact CA-O 3.37Å; N116-T145 WeakPolarHBondContact CA-OG1 3.31Å; N116-T145 PolarHBondContact OD1-O 3.22Å; N116-T145 PolarHBondContact OD1-OG1 2.87Å; K117-T145 PolarHBondContact N-O 3.29Å; C118-T145 PolarHBondContact N-O 3.21Å; C118-T145 PolarHBondContact SG-O 2.73Å; C118-T145 VanDerWaalsContact SG-O 3.37Å; T145-S151 VanDerWaalsContact CA-O 3.31Å; T145-S151 WeakPolarHBondContact CA-O 3.46Å; T145-N152 HydrophobicContact CG2-CB 3.79Å; T145-I156 HydrophobicContact CG2-CD1 4.13Å; T145-I156 HydrophobicContact CG2-CG2 3.74Å |
| 146 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -134.6 | 111.7 | 163.8 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | D119 K148 T149 K150 S151 | D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.39Å; D119-S146 PolarHBondContact OD1-OG 3.28Å; S146-K148 PolarHBondContact O-N 3.26Å; S146-K148 PolarHBondContact OG-N 3.28Å; S146-T149 WeakPolarHBondContact CB-OG1 3.35Å; S146-T149 PolarHBondContact O-N 3.46Å; S146-T149 PolarHBondContact OG-N 3.05Å; S146-T149 PolarHBondContact OG-OG1 3.37Å; S146-K150 CarbonylContact O-C 3.38Å; S146-K150 WeakPolarHBondContact O-CA 3.18Å; S146-K150 PolarHBondContact O-N 3.19Å; S146-S151 PolarHBondContact N-O 2.78Å; S146-S151 PolarHBondContact O-N 2.94Å |
| 147 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A18 L19 Q22 F28 N116 | A18-A147 HydrophobicContact CB-CB 3.62Å; L19-A147 HydrophobicContact CD2-CB 3.96Å; L19-A147 HydrophobicContact CG-CB 4.19Å; Q22-A147 WeakPolarHBondContact CG-O 3.44Å; Q22-A147 PolarHBondContact NE2-O 3.32Å; F28-A147 HydrophobicContact CD2-CB 3.99Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; N116-A147 PolarHBondContact OD1-N 3.29Å |
| 148 | K | 98.3 | Very high | 98.6 | Very high | 114 Ų | 114 | 48.8 Ų | 48.8 | 50% | 0.496 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -47.8 | -178.9 | -172.3 | -179.7 | -175.7 | 177.9 | 0 | 112.3 | F28 D119 S146 | F28-K148 HydrophobicContact CD1-CB 4.37Å; F28-K148 HydrophobicContact CD1-CG 4.12Å; F28-K148 HydrophobicContact CD2-CB 4.33Å; F28-K148 HydrophobicContact CE1-CB 4.12Å; F28-K148 HydrophobicContact CE1-CD 4.44Å; F28-K148 HydrophobicContact CE1-CG 3.9Å; F28-K148 HydrophobicContact CE2-CB 4.08Å; F28-K148 HydrophobicContact CG-CB 4.47Å; F28-K148 HydrophobicContact CZ-CB 3.97Å; F28-K148 HydrophobicContact CZ-CG 4.23Å; D119-K148 WeakPolarHBondContact OD2-CD 3.34Å; S146-K148 PolarHBondContact O-N 3.26Å; S146-K148 PolarHBondContact OG-N 3.28Å |
| 149 | T | 98.3 | Very high | 98.6 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2 | -176.3 | 67.7 | 0 | 0 | 0 | 0 | 114 | D119 S146 S151 | D119-T149 HydrophobicContact CB-CG2 3.94Å; S146-T149 WeakPolarHBondContact CB-OG1 3.35Å; S146-T149 PolarHBondContact O-N 3.46Å; S146-T149 PolarHBondContact OG-N 3.05Å; S146-T149 PolarHBondContact OG-OG1 3.37Å; T149-S151 PolarHBondContact O-N 2.78Å |
| 150 | K | 98.1 | Very high | 98.7 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 9.1 | -173.5 | -60.1 | 179.8 | 177.3 | -174.5 | 0 | 114.6 | Q22 G26 S146 N152 V153 | Q22-K150 VanDerWaalsContact CD-CG 3.46Å; Q22-K150 HydrophobicContact CG-CG 3.83Å; Q22-K150 VanDerWaalsContact NE2-CE 3.3Å; G26-K150 WeakPolarHBondContact O-CE 3.26Å; G26-K150 PolarHBondContact O-NZ 2.95Å; S146-K150 CarbonylContact O-C 3.38Å; S146-K150 WeakPolarHBondContact O-CA 3.18Å; S146-K150 PolarHBondContact O-N 3.19Å; K150-N152 PolarHBondContact O-N 3Å; K150-V153 PolarHBondContact O-N 2.91Å |
| 151 | S | 98.7 | Very high | 98.7 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -61.9 | 124.2 | -179.9 | -174 | 0 | 0 | 0 | 0 | 111.5 | T145 S146 T149 V153 | T145-S151 VanDerWaalsContact CA-O 3.31Å; T145-S151 WeakPolarHBondContact CA-O 3.46Å; S146-S151 PolarHBondContact N-O 2.78Å; S146-S151 PolarHBondContact O-N 2.94Å; T149-S151 PolarHBondContact O-N 2.78Å; S151-V153 PolarHBondContact O-N 2.82Å |
| 152 | N | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 14.5 | 178.2 | -66 | -37 | 0 | 0 | 0 | 116.1 | E144 T145 K150 E155 I156 | E144-N152 WeakPolarHBondContact O-CB 3.18Å; E144-N152 PolarHBondContact O-ND2 3.11Å; T145-N152 HydrophobicContact CG2-CB 3.79Å; K150-N152 PolarHBondContact O-N 3Å; N152-E155 WeakPolarHBondContact CA-OE2 3.21Å; N152-E155 HydrophobicContact CB-CB 4.43Å; N152-I156 WeakPolarHBondContact O-CG2 3.19Å; N152-I156 PolarHBondContact O-N 2.82Å |
| 153 | V | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -45.9 | -175.8 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L19 Q22 F23 K150 S151 E155 I156 F157 | L19-V153 HydrophobicContact CD2-CG2 3.88Å; Q22-V153 HydrophobicContact CB-CG1 4.28Å; Q22-V153 HydrophobicContact CG-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG2 4.24Å; F23-V153 HydrophobicContact CB-CG1 3.79Å; K150-V153 PolarHBondContact O-N 2.91Å; S151-V153 PolarHBondContact O-N 2.82Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact N-OE2 2.81Å; V153-I156 VanDerWaalsContact O-CG1 3.27Å; V153-I156 WeakPolarHBondContact O-CG1 3.45Å; V153-F157 WeakPolarHBondContact O-CD2 3.44Å |
| 154 | N | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 40% | 0.401 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 179.5 | -69.7 | -41.7 | 0 | 0 | 0 | 111.2 | F23 I156 F157 H158 | F23-N154 WeakPolarHBondContact CD2-OD1 3.47Å; F23-N154 HydrophobicContact CE2-CB 4.4Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.35Å; N154-I156 PolarHBondContact O-N 3.05Å; N154-F157 PolarHBondContact O-N 2.78Å; N154-H158 WeakPolarHBondContact O-CB 3.22Å; N154-H158 PolarHBondContact O-CD2 2.98Å; N154-H158 VanDerWaalsContact O-CD2 3.26Å; N154-H158 VanDerWaalsContact O-CG 3.28Å; N154-H158 PolarHBondContact O-N 2.99Å |
| 155 | E | 98.8 | Very high | 98.5 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | -174.1 | -68.3 | 72.6 | -169 | 0 | 0 | 110.9 | N152 V153 F157 H158 D159 | N152-E155 WeakPolarHBondContact CA-OE2 3.21Å; N152-E155 HydrophobicContact CB-CB 4.43Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact N-OE2 2.81Å; E155-F157 PolarHBondContact O-N 2.84Å; E155-H158 PolarHBondContact O-N 3.04Å; E155-D159 WeakPolarHBondContact O-CB 3.27Å; E155-D159 PolarHBondContact O-N 3.42Å |
| 156 | I | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 180 | 60.9 | 171 | 0 | 0 | 0 | 113 | L19 L79 V112 V114 A143 T145 N152 V153 N154 L160 | L19-I156 HydrophobicContact CD1-CD1 4.33Å; L19-I156 HydrophobicContact CD2-CD1 4.49Å; L79-I156 HydrophobicContact CD1-CD1 3.69Å; L79-I156 HydrophobicContact CD1-CG1 4.21Å; L79-I156 HydrophobicContact CD2-CB 4.11Å; L79-I156 HydrophobicContact CD2-CD1 4.44Å; L79-I156 HydrophobicContact CD2-CG1 4.49Å; V112-I156 HydrophobicContact CG1-CB 4.41Å; V112-I156 HydrophobicContact CG1-CG2 4.14Å; V114-I156 HydrophobicContact CG1-CD1 4.27Å; V114-I156 HydrophobicContact CG2-CB 4.44Å; V114-I156 HydrophobicContact CG2-CD1 4.16Å; V114-I156 HydrophobicContact CG2-CG2 4.11Å; A143-I156 HydrophobicContact CB-CG2 3.77Å; T145-I156 HydrophobicContact CG2-CD1 4.13Å; T145-I156 HydrophobicContact CG2-CG2 3.74Å; N152-I156 WeakPolarHBondContact O-CG2 3.19Å; N152-I156 PolarHBondContact O-N 2.82Å; V153-I156 VanDerWaalsContact O-CG1 3.27Å; V153-I156 WeakPolarHBondContact O-CG1 3.45Å; N154-I156 PolarHBondContact O-N 3.05Å; I156-L160 WeakPolarHBondContact O-CB 3.38Å; I156-L160 PolarHBondContact O-N 3.49Å |
| 157 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.6 | -39.3 | 179.2 | -71.4 | -77.3 | 0 | 0 | 0 | 110.9 | L6 V8 F23 I55 L79 V153 N154 E155 L160 V161 | L6-F157 HydrophobicContact CD1-CD1 3.92Å; V8-F157 HydrophobicContact CG2-CE1 4.16Å; V8-F157 HydrophobicContact CG2-CZ 4.4Å; F23-F157 HydrophobicContact CB-CD2 3.7Å; F23-F157 HydrophobicContact CB-CE2 3.47Å; F23-F157 VanDerWaalsContact CB-CE2 3.47Å; F23-F157 HydrophobicContact CB-CZ 4.28Å; F23-F157 HydrophobicContact CD1-CB 4.41Å; F23-F157 HydrophobicContact CD1-CD1 4.33Å; F23-F157 AromaticContact CD1-CD2 3.73Å; F23-F157 HydrophobicContact CD1-CD2 3.73Å; F23-F157 HydrophobicContact CD1-CE2 4.05Å; F23-F157 AromaticContact CD1-CG 3.91Å; F23-F157 HydrophobicContact CD1-CG 3.91Å; F23-F157 HydrophobicContact CD1-CZ 4.45Å; F23-F157 HydrophobicContact CD2-CB 4.24Å; F23-F157 AromaticContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CE2 4.25Å; F23-F157 HydrophobicContact CD2-CG 4.15Å; F23-F157 HydrophobicContact CE1-CB 4.02Å; F23-F157 HydrophobicContact CE1-CD1 4.43Å; F23-F157 HydrophobicContact CE1-CD2 4.21Å; F23-F157 AromaticContact CE1-CG 3.98Å; F23-F157 HydrophobicContact CE1-CG 3.98Å; F23-F157 HydrophobicContact CE2-CB 3.85Å; F23-F157 HydrophobicContact CE2-CD2 4.06Å; F23-F157 HydrophobicContact CE2-CG 4.22Å; F23-F157 AromaticContact CG-CD2 3.36Å; F23-F157 HydrophobicContact CG-CD2 3.36Å; F23-F157 AromaticContact CG-CE2 3.67Å; F23-F157 HydrophobicContact CG-CE2 3.67Å; F23-F157 AromaticContact CG-CG 3.99Å; F23-F157 HydrophobicContact CG-CG 3.99Å; F23-F157 HydrophobicContact CG-CZ 4.47Å; F23-F157 HydrophobicContact CZ-CB 3.71Å; F23-F157 HydrophobicContact CZ-CD2 4.35Å; F23-F157 HydrophobicContact CZ-CG 4.12Å; I55-F157 HydrophobicContact CD1-CD1 3.95Å; I55-F157 HydrophobicContact CD1-CE1 3.81Å; I55-F157 HydrophobicContact CD1-CZ 4.46Å; I55-F157 HydrophobicContact CG1-CE1 4.34Å; I55-F157 HydrophobicContact CG2-CE1 3.93Å; L79-F157 HydrophobicContact CD1-CD1 3.88Å; L79-F157 HydrophobicContact CD1-CE1 3.45Å; L79-F157 VanDerWaalsContact CD1-CE1 3.45Å; L79-F157 HydrophobicContact CD1-CE2 4.2Å; L79-F157 HydrophobicContact CD1-CG 4.43Å; L79-F157 HydrophobicContact CD1-CZ 3.63Å; V153-F157 WeakPolarHBondContact O-CD2 3.44Å; N154-F157 PolarHBondContact O-N 2.78Å; E155-F157 PolarHBondContact O-N 2.84Å; F157-L160 PolarHBondContact O-N 3.21Å; F157-V161 WeakPolarHBondContact O-CG2 3.22Å; F157-V161 PolarHBondContact O-N 3.1Å |
| 158 | H | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 53 Ų | 53 | 18% | 0.181 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 177.9 | -72.7 | -159.4 | 0 | 0 | 0 | 111.8 | F23 I46 N154 E155 L160 V161 R162 | F23-H158 AromaticContact CE2-NE2 3.97Å; I46-H158 HydrophobicContact CD1-CB 4.18Å; I46-H158 HydrophobicContact CG1-CB 4.33Å; N154-H158 WeakPolarHBondContact O-CB 3.22Å; N154-H158 PolarHBondContact O-CD2 2.98Å; N154-H158 VanDerWaalsContact O-CD2 3.26Å; N154-H158 VanDerWaalsContact O-CG 3.28Å; N154-H158 PolarHBondContact O-N 2.99Å; E155-H158 PolarHBondContact O-N 3.04Å; H158-L160 VanDerWaalsContact C-N 3.33Å; H158-L160 PolarHBondContact O-N 3.26Å; H158-V161 PolarHBondContact O-N 3.46Å; H158-R162 WeakPolarHBondContact O-CG 3.44Å; H158-R162 PolarHBondContact O-N 3.27Å |
| 159 | D | 98.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.3 | -178.1 | 48.6 | 0 | 0 | 0 | 111.6 | V112 H141 E155 V161 R162 Q163 | V112-D159 HydrophobicContact CG2-CB 4.45Å; V112-D159 VanDerWaalsContact CG2-OD2 3.32Å; V112-D159 WeakPolarHBondContact CG2-OD2 3.48Å; H141-D159 WeakPolarHBondContact CB-OD2 3.46Å; H141-D159 IonicContact CE1-OD1 3.5Å; H141-D159 PolarHBondContact CE1-OD1 3.21Å; H141-D159 IonicContact CE1-OD2 3.21Å; H141-D159 IonicContact CG-OD2 3.55Å; H141-D159 IonicContact ND1-OD1 2.71Å; H141-D159 PolarHBondContact ND1-OD1 3.25Å; H141-D159 IonicContact ND1-OD2 2.76Å; H141-D159 PolarHBondContact ND1-OD2 3.16Å; E155-D159 WeakPolarHBondContact O-CB 3.27Å; E155-D159 PolarHBondContact O-N 3.42Å; D159-V161 VanDerWaalsContact C-N 3.28Å; D159-V161 PolarHBondContact O-N 2.86Å; D159-R162 WeakPolarHBondContact O-CA 3.38Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 2.57Å; D159-Q163 WeakPolarHBondContact O-CG 3.34Å; D159-Q163 PolarHBondContact O-N 2.93Å; D159-Q163 PolarHBondContact OD2-NE2 3.47Å |
| 160 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 178.7 | -166.5 | 60.2 | 0 | 0 | 0 | 112.5 | L6 L79 P110 V112 I156 F157 H158 Q163 I164 | L6-L160 HydrophobicContact CB-CD2 4.23Å; L6-L160 HydrophobicContact CD1-CD2 4.31Å; L6-L160 HydrophobicContact CD2-CD2 3.78Å; L6-L160 HydrophobicContact CD2-CG 4.01Å; L6-L160 HydrophobicContact CG-CD2 4.32Å; L79-L160 HydrophobicContact CD2-CD2 3.94Å; L79-L160 HydrophobicContact CG-CD2 4.07Å; P110-L160 HydrophobicContact CB-CD1 3.97Å; P110-L160 WeakPolarHBondContact O-CD1 3.28Å; V112-L160 HydrophobicContact CG2-CB 4.34Å; V112-L160 HydrophobicContact CG2-CD1 4.27Å; I156-L160 WeakPolarHBondContact O-CB 3.38Å; I156-L160 PolarHBondContact O-N 3.49Å; F157-L160 PolarHBondContact O-N 3.21Å; H158-L160 VanDerWaalsContact C-N 3.33Å; H158-L160 PolarHBondContact O-N 3.26Å; L160-Q163 PolarHBondContact O-N 3.49Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.29Å |
| 161 | V | 98.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | Y4 L6 I46 L53 F157 H158 D159 Q163 I164 N165 | Y4-V161 HydrophobicContact CD1-CG1 4.18Å; Y4-V161 HydrophobicContact CD2-CG1 4.28Å; Y4-V161 HydrophobicContact CE1-CG1 3.8Å; Y4-V161 HydrophobicContact CE2-CG1 3.91Å; Y4-V161 HydrophobicContact CG-CG1 4.4Å; Y4-V161 HydrophobicContact CG-CG2 4.3Å; L6-V161 HydrophobicContact CD1-CG2 4.38Å; I46-V161 HydrophobicContact CD1-CB 3.7Å; I46-V161 HydrophobicContact CD1-CG1 3.73Å; I46-V161 HydrophobicContact CD1-CG2 3.74Å; I46-V161 HydrophobicContact CG2-CG1 4.44Å; L53-V161 HydrophobicContact CD1-CG2 4.21Å; L53-V161 HydrophobicContact CD2-CG2 3.39Å; L53-V161 HydrophobicContact CG-CG2 4.47Å; F157-V161 WeakPolarHBondContact O-CG2 3.22Å; F157-V161 PolarHBondContact O-N 3.1Å; H158-V161 PolarHBondContact O-N 3.46Å; D159-V161 VanDerWaalsContact C-N 3.28Å; D159-V161 PolarHBondContact O-N 2.86Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.49Å; V161-I164 PolarHBondContact O-N 3.42Å; V161-N165 WeakPolarHBondContact O-CB 3.4Å; V161-N165 PolarHBondContact O-N 3.1Å; V161-N165 PolarHBondContact O-ND2 3.03Å |
| 162 | R | 98.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 49 Ų | 49 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.7 | -69.8 | 179 | -177.3 | 124.3 | -2.4 | 111.8 | I46 D47 H158 D159 N165 A166 | I46-R162 HydrophobicContact CG2-CG 4.17Å; D47-R162 IonicContact OD1-CZ 3.36Å; D47-R162 IonicContact OD1-NE 3.06Å; D47-R162 PolarHBondContact OD1-NE 3.22Å; D47-R162 IonicContact OD1-NH2 2.89Å; D47-R162 PolarHBondContact OD1-NH2 3.42Å; D47-R162 WeakPolarHBondContact OD2-CG 3.39Å; D47-R162 IonicContact OD2-NE 3.38Å; D47-R162 PolarHBondContact OD2-NE 2.8Å; H158-R162 WeakPolarHBondContact O-CG 3.44Å; H158-R162 PolarHBondContact O-N 3.27Å; D159-R162 WeakPolarHBondContact O-CA 3.38Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 2.57Å; R162-N165 WeakPolarHBondContact O-CB 3.37Å; R162-N165 PolarHBondContact O-N 3.38Å; R162-A166 PolarHBondContact O-N 3.06Å |
| 163 | Q | 98.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.9 | -66.5 | -176.4 | 35.2 | 0 | 0 | 112 | P110 L111 H141 D159 L160 V161 N165 A166 K167 | P110-Q163 HydrophobicContact CB-CB 3.89Å; L111-Q163 PolarHBondContact O-NE2 2.94Å; L111-Q163 VanDerWaalsContact O-NE2 3.09Å; L111-Q163 PolarHBondContact O-OE1 2.71Å; H141-Q163 PolarHBondContact ND1-NE2 2.76Å; D159-Q163 WeakPolarHBondContact O-CG 3.34Å; D159-Q163 PolarHBondContact O-N 2.93Å; D159-Q163 PolarHBondContact OD2-NE2 3.47Å; L160-Q163 PolarHBondContact O-N 3.49Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.49Å; Q163-N165 VanDerWaalsContact C-N 3.3Å; Q163-N165 PolarHBondContact O-N 2.83Å; Q163-A166 PolarHBondContact O-N 2.9Å; Q163-K167 PolarHBondContact O-N 3.47Å; Q163-K167 VanDerWaalsContact O-N 3.13Å |
| 164 | I | 97.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -41 | 174.3 | -65.8 | 161.7 | 0 | 0 | 0 | 110.7 | Y4 L6 Q76 P110 L160 V161 K167 T168 | Y4-I164 HydrophobicContact CD1-CB 4.1Å; Y4-I164 HydrophobicContact CD1-CD1 3.99Å; Y4-I164 HydrophobicContact CD1-CG2 3.75Å; Y4-I164 HydrophobicContact CE1-CB 4.26Å; Y4-I164 HydrophobicContact CE1-CG2 3.91Å; L6-I164 HydrophobicContact CD2-CD1 3.53Å; Q76-I164 HydrophobicContact CB-CD1 3.82Å; Q76-I164 HydrophobicContact CB-CG1 4.2Å; Q76-I164 HydrophobicContact CB-CG2 4.42Å; P110-I164 HydrophobicContact CB-CG1 3.81Å; P110-I164 HydrophobicContact CG-CG1 3.79Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.29Å; V161-I164 PolarHBondContact O-N 3.42Å; I164-K167 PolarHBondContact O-N 3.13Å; I164-T168 PolarHBondContact O-N 2.74Å |
| 165 | N | 96.6 | Very high | 87.5 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.6 | -77.3 | -32.4 | 0 | 0 | 0 | 113.4 | R2 Y4 V161 R162 Q163 T168 P169 | R2-N165 PolarHBondContact NH1-OD1 3.12Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.34Å; Y4-N165 VanDerWaalsContact OH-CG 3.28Å; Y4-N165 PolarHBondContact OH-ND2 3.11Å; Y4-N165 PolarHBondContact OH-OD1 3.47Å; V161-N165 WeakPolarHBondContact O-CB 3.4Å; V161-N165 PolarHBondContact O-N 3.1Å; V161-N165 PolarHBondContact O-ND2 3.03Å; R162-N165 WeakPolarHBondContact O-CB 3.37Å; R162-N165 PolarHBondContact O-N 3.38Å; Q163-N165 VanDerWaalsContact C-N 3.3Å; Q163-N165 PolarHBondContact O-N 2.83Å; N165-T168 CarbonylContact O-C 3.58Å; N165-P169 WeakPolarHBondContact O-CA 3.18Å; N165-P169 VanDerWaalsContact O-N 3.17Å |
| 166 | A | 95.6 | Very high | 85.4 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 66% | 0.661 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R162 Q163 | R162-A166 PolarHBondContact O-N 3.06Å; Q163-A166 PolarHBondContact O-N 2.9Å |
| 167 | K | 93.7 | Very high | 83.2 | Confident | 100 Ų | 100 | 64 Ų | 64 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.1 | -36.5 | 178 | -78.7 | -171.1 | 168.1 | 173.9 | 0 | 113.8 | E108 P110 Q163 I164 | E108-K167 PolarHBondContact O-NZ 2.72Å; P110-K167 HydrophobicContact CG-CD 4.04Å; Q163-K167 PolarHBondContact O-N 3.47Å; Q163-K167 VanDerWaalsContact O-N 3.13Å; I164-K167 PolarHBondContact O-N 3.13Å |
| 168 | T | 90.5 | Very high | 80.8 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -131.5 | 81.8 | -179.7 | -47 | 0 | 0 | 0 | 0 | 109.2 | R2 I164 N165 N170 | R2-T168 VanDerWaalsContact CZ-O 3.25Å; R2-T168 PolarHBondContact NH1-O 3.02Å; R2-T168 PolarHBondContact NH2-O 3.14Å; I164-T168 PolarHBondContact O-N 2.74Å; N165-T168 CarbonylContact O-C 3.58Å; T168-N170 PolarHBondContact O-N 3.02Å |
| 169 | P | 86.3 | Confident | 78.5 | Confident | 71 Ų | 71 | 76 Ų | 76 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | trans | -59.2 | 135.9 | -178.3 | -25.8 | 35.2 | 0 | 0 | 0 | 112 | N165 P171 | N165-P169 WeakPolarHBondContact O-CA 3.18Å; N165-P169 VanDerWaalsContact O-N 3.17Å; P169-P171 WeakPolarHBondContact O-CD 3.47Å | ||
| 170 | N | 77.9 | Confident | 76 | Confident | 34 Ų | 34 | 84.2 Ų | 84.2 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -65.1 | 123.5 | 175.1 | -174 | -6.9 | 0 | 0 | 0 | 109.2 | T168 A172 S173 | T168-N170 PolarHBondContact O-N 3.02Å; N170-A172 PolarHBondContact O-N 3.36Å; N170-A172 VanDerWaalsContact O-N 3.11Å; N170-A172 PolarHBondContact OD1-N 3.03Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å; N170-S173 PolarHBondContact O-N 2.95Å; N170-S173 PolarHBondContact O-OG 3.2Å | ||
| 171 | P | 70.3 | Confident | 73.4 | Confident | 109 Ų | 109 | 90 Ų | 90 | 71% | 0.708 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -53.7 | -34 | 176.7 | -25.4 | 33.4 | 0 | 0 | 0 | 112.9 | P169 S173 K174 | P169-P171 WeakPolarHBondContact O-CD 3.47Å; P171-S173 VanDerWaalsContact C-N 3.28Å; P171-S173 PolarHBondContact O-N 3.45Å; P171-K174 PolarHBondContact O-N 3.34Å |
| 172 | A | 68.8 | Low | 70.6 | Confident | 63 Ų | 63 | 95.9 Ų | 95.9 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -68.9 | -18.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N170 K174 S175 | N170-A172 PolarHBondContact O-N 3.36Å; N170-A172 VanDerWaalsContact O-N 3.11Å; N170-A172 PolarHBondContact OD1-N 3.03Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å; A172-K174 VanDerWaalsContact C-N 3.34Å; A172-S175 PolarHBondContact O-OG 3.22Å; A172-S175 VanDerWaalsContact O-OG 3.12Å |
| 173 | S | 61.4 | Low | 68.1 | Low | 38 Ų | 38 | 96.8 Ų | 96.8 | 27% | 0.266 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -80.1 | -15.5 | 178.7 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | N170 P171 S175 S176 | N170-S173 PolarHBondContact O-N 2.95Å; N170-S173 PolarHBondContact O-OG 3.2Å; P171-S173 VanDerWaalsContact C-N 3.28Å; P171-S173 PolarHBondContact O-N 3.45Å; S173-S175 VanDerWaalsContact C-N 3.33Å; S173-S175 PolarHBondContact O-N 3.04Å; S173-S176 PolarHBondContact O-OG 3.17Å |
| 174 | K | 57.4 | Low | 65.2 | Low | 157 Ų | 157 | 107.4 Ų | 107.4 | 68% | 0.683 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -72.2 | -24.1 | 179.9 | -68.9 | -172.1 | -179.9 | 178.6 | 0 | 113.1 | P171 A172 | P171-K174 PolarHBondContact O-N 3.34Å; A172-K174 VanDerWaalsContact C-N 3.34Å |
| 175 | S | 54.8 | Low | 63.6 | Low | 94 Ų | 94 | 112.6 Ų | 112.6 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -28.9 | -177.3 | 56 | 0 | 0 | 0 | 0 | 113.5 | A172 S173 | A172-S175 PolarHBondContact O-OG 3.22Å; A172-S175 VanDerWaalsContact O-OG 3.12Å; S173-S175 VanDerWaalsContact C-N 3.33Å; S173-S175 PolarHBondContact O-N 3.04Å |
| 176 | S | 54.6 | Low | 61.9 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -81 | -20.4 | -175.7 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | S173 S179 | S173-S176 PolarHBondContact O-OG 3.17Å; S176-S179 PolarHBondContact O-OG 3.05Å |
| 177 | K | 51.2 | Low | 60 | Low | 187 Ų | 187 | 118.7 Ų | 118.7 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -81.1 | -15.8 | 178.3 | -81 | -173 | 178 | 178.5 | 0 | 114.3 | S179 | K177-S179 PolarHBondContact O-N 2.79Š|
| 178 | K | 50 | Low | 58 | Low | 192 Ų | 192 | 119.8 Ų | 119.8 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -80.5 | -8.9 | -177.5 | -96.1 | -170.2 | 175.9 | -175.6 | 0 | 115.1 | ||
| 179 | S | 50.1 | Low | 56 | Low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -93.6 | 4.8 | -173.9 | 50.3 | 0 | 0 | 0 | 0 | 115.9 | S176 K177 | S176-S179 PolarHBondContact O-OG 3.05Å; K177-S179 PolarHBondContact O-N 2.79Å |
| 180 | K | 46.3 | Very low | 54 | Low | 203 Ų | 203 | 125.4 Ų | 125.4 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -103.7 | 11.9 | -176.6 | -96.5 | -171.8 | 177.7 | -176.9 | 0 | 116.9 | ||
| 181 | C | 42.1 | Very low | 52.3 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.2 | 61.4 | 178.7 | -153.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 182 | C | 41.3 | Very low | 50.9 | Low | 125 Ų | 125 | 133.7 Ų | 133.7 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -160.8 | 73.7 | 165.9 | -92 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 183 | C | 44.6 | Very low | 49.4 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 98.1 | 161.5 | -82.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 184 | L | 38.8 | Very low | 48.3 | Very low | 254 Ų | 254 | 148.8 Ų | 148.8 | 100% | 1.33 | 81% | 0.814 | S | S | * | * | trans | 46.9 | 0 | 146.1 | -65.6 | 158.9 | 0 | 0 | 0 | 119.1 |
Retrieved 184 of 184 residues in 115.2 ms
(Link to these results)