| 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 | 86.3 | Confident | 95.7 | Very high | 122 Ų | 122 | 34.9 Ų | 34.9 | 60% | 0.601 | 17% | 0.166 | S | C | * | . | 0 | 146.4 | 0 | 178 | 161.4 | 54.3 | 0 | 0 | 108.1 | Q43 Q50 C51 M52 | M1-Q43 HydrophobicContact CE-CG 3.95Å; M1-Q43 HydrophobicContact SD-CG 3.85Å; M1-Q43 PolarHBondContact SD-NE2 2.71Å; M1-Q50 WeakPolarHBondContact CG-O 3.27Å; M1-Q50 HydrophobicContact SD-CB 3.99Å; M1-C51 VanDerWaalsContact CG-CA 3.46Å; M1-C51 VanDerWaalsContact SD-CA 3.59Å; M1-M52 HydrophobicContact CE-CB 3.97Å; M1-M52 HydrophobicContact CE-CE 3.92Å | |||
| 2 | R | 94.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.5 | 177.6 | -178.3 | 171.9 | 171.7 | 167.2 | 12.4 | 109.5 | Y4 C51 M52 N165 F168 | R2-Y4 HydrophobicContact CB-CE2 3.97Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.32Å; R2-Y4 HydrophobicContact CG-CE2 3.64Å; R2-C51 WeakPolarHBondContact O-CA 3.42Å; R2-C51 WeakPolarHBondContact O-CB 3.33Å; R2-M52 PolarHBondContact O-N 3.22Å; R2-N165 PolarHBondContact NH1-OD1 3.43Å; R2-F168 VanDerWaalsContact CZ-O 3.26Å; R2-F168 PolarHBondContact NH1-O 3.37Å; R2-F168 PolarHBondContact NH2-O 2.68Å |
| 3 | E | 96.7 | Very high | 95.2 | Very high | 96 Ų | 96 | 34.2 Ų | 34.2 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 143.6 | 177.6 | -52.1 | -165.2 | 146.4 | 0 | 0 | 110.3 | R41 M52 | E3-R41 IonicContact OE1-NH2 2.82Å; E3-R41 PolarHBondContact OE1-NH2 2.88Å; E3-M52 CarbonylContact C-O 3.6Å; E3-M52 VanDerWaalsContact CA-O 3.29Å; E3-M52 WeakPolarHBondContact CA-O 3.06Å; E3-M52 HydrophobicContact CG-CB 4.14Å |
| 4 | Y | 98.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.2 | -178.6 | -61.5 | -101.5 | 0 | 0 | 0 | 109.3 | R2 C51 M52 L53 E54 V161 I164 N165 | R2-Y4 HydrophobicContact CB-CE2 3.97Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.32Å; R2-Y4 HydrophobicContact CG-CE2 3.64Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.32Å; Y4-M52 PolarHBondContact N-O 3.41Å; Y4-L53 HydrophobicContact CD2-CD1 4.2Å; Y4-E54 PolarHBondContact O-N 3.24Å; Y4-V161 HydrophobicContact CD1-CG1 4.3Å; Y4-V161 HydrophobicContact CD1-CG2 4.34Å; Y4-V161 HydrophobicContact CE1-CG1 3.81Å; Y4-V161 HydrophobicContact CE2-CG1 4.29Å; Y4-V161 HydrophobicContact CG-CG2 4.31Å; Y4-I164 HydrophobicContact CD1-CB 3.99Å; Y4-I164 HydrophobicContact CD1-CD1 3.97Å; Y4-I164 HydrophobicContact CD1-CG2 3.66Å; Y4-I164 HydrophobicContact CE1-CB 4.21Å; Y4-I164 HydrophobicContact CE1-CG2 3.9Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.43Å; Y4-N165 VanDerWaalsContact OH-CG 3.29Å; Y4-N165 PolarHBondContact OH-ND2 3.05Å; Y4-N165 PolarHBondContact OH-OD1 2.99Å |
| 5 | K | 98.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 30.7 Ų | 30.7 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 109.5 | 177 | -61.4 | -170.8 | 175.7 | -164.7 | 0 | 110 | E54 Q76 G77 | K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.43Å; K5-E54 VanDerWaalsContact CE-OE2 3.31Å; K5-E54 WeakPolarHBondContact CE-OE2 3.31Å; K5-Q76 HydrophobicContact CB-CG 4.33Å; K5-Q76 WeakPolarHBondContact O-CA 3.45Å; K5-Q76 WeakPolarHBondContact O-CB 3.41Å; K5-Q76 PolarHBondContact O-N 3.28Å; K5-G77 PolarHBondContact O-N 2.86Å |
| 6 | I | 98.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.2 | -179.6 | -65.8 | 172.2 | 0 | 0 | 0 | 108.4 | L53 E54 I55 L56 G77 V79 F157 L160 I164 | I6-L53 HydrophobicContact CD1-CD2 3.96Å; I6-L53 HydrophobicContact CD1-CG 3.95Å; I6-E54 PolarHBondContact N-O 2.97Å; I6-I55 HydrophobicContact CB-CG1 4.36Å; I6-I55 CarbonylContact O-C 3.4Å; I6-I55 WeakPolarHBondContact O-CA 3.32Å; I6-L56 PolarHBondContact O-N 3.37Å; I6-G77 WeakPolarHBondContact CA-O 2.94Å; I6-V79 HydrophobicContact CG2-CG2 3.91Å; I6-F157 HydrophobicContact CD1-CD1 4.16Å; I6-F157 HydrophobicContact CG2-CD1 4.27Å; I6-F157 HydrophobicContact CG2-CE1 4.34Å; I6-L160 HydrophobicContact CB-CD2 4.24Å; I6-L160 HydrophobicContact CD1-CD2 4.02Å; I6-L160 HydrophobicContact CG1-CD2 3.8Å; I6-L160 HydrophobicContact CG2-CD2 3.55Å; I6-I164 HydrophobicContact CG1-CD1 4.46Å |
| 7 | V | 97.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.6 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | L9 L56 T58 Y71 G77 F78 V79 | V7-L9 HydrophobicContact CG1-CD1 4.07Å; V7-L9 HydrophobicContact CG1-CD2 4.21Å; V7-L9 HydrophobicContact CG1-CG 3.9Å; V7-L56 HydrophobicContact CG1-CB 4.47Å; V7-L56 HydrophobicContact CG1-CD2 4.37Å; V7-L56 HydrophobicContact CG2-CB 4.46Å; V7-T58 HydrophobicContact CG1-CG2 3.81Å; V7-Y71 HydrophobicContact CG1-CD2 3.66Å; V7-Y71 HydrophobicContact CG1-CE2 4.08Å; V7-Y71 HydrophobicContact CG1-CG 4.32Å; V7-G77 PolarHBondContact N-O 3.11Å; V7-F78 HydrophobicContact CB-CD1 3.97Å; V7-F78 HydrophobicContact CB-CE1 4.11Å; V7-F78 HydrophobicContact CG2-CD1 4.44Å; V7-F78 HydrophobicContact CG2-CE1 4.11Å; V7-F78 WeakPolarHBondContact O-CA 3.12Å; V7-V79 PolarHBondContact O-N 3.32Å |
| 8 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.7 | 177.6 | -170 | 0 | 0 | 0 | 0 | 109.1 | K16 I55 L56 T58 V79 V81 F157 | V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.22Å; V8-K16 HydrophobicContact CG1-CG 3.96Å; V8-I55 HydrophobicContact CG2-CG2 3.71Å; V8-L56 PolarHBondContact N-O 3.01Å; V8-T58 PolarHBondContact O-OG1 3.47Å; V8-V79 HydrophobicContact CB-CB 4.5Å; V8-V79 HydrophobicContact CG1-CB 4.25Å; V8-V79 HydrophobicContact CG1-CG1 4.38Å; V8-V79 HydrophobicContact CG2-CB 4.29Å; V8-V79 HydrophobicContact CG2-CG2 4.41Å; V8-V81 HydrophobicContact CG1-CG2 3.73Å; V8-F157 HydrophobicContact CG2-CE1 4.27Å |
| 9 | L | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 160 | -172.2 | -67.5 | 159.4 | 0 | 0 | 0 | 110.7 | V7 K16 T58 Y71 M72 F78 V79 L80 V81 I100 | V7-L9 HydrophobicContact CG1-CD1 4.07Å; V7-L9 HydrophobicContact CG1-CD2 4.21Å; V7-L9 HydrophobicContact CG1-CG 3.9Å; L9-K16 VanDerWaalsContact C-CD 3.43Å; L9-T58 HydrophobicContact CD2-CG2 4.09Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.36Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CE2 3.52Å; L9-Y71 WeakPolarHBondContact CD2-OH 3.48Å; L9-Y71 HydrophobicContact CG-CE2 4.47Å; L9-M72 HydrophobicContact CD1-CE 4.16Å; L9-M72 HydrophobicContact CD2-CE 4.48Å; L9-F78 HydrophobicContact CD1-CD1 3.96Å; L9-V79 PolarHBondContact N-O 3.3Å; L9-L80 HydrophobicContact CB-CD2 3.78Å; L9-L80 HydrophobicContact CD1-CD2 4.26Å; L9-V81 PolarHBondContact O-N 2.97Å; L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.22Å |
| 10 | G | 95.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | trans | 139.9 | 164.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K16 G60 V81 | G10-K16 WeakPolarHBondContact O-CE 3.45Å; G10-K16 PolarHBondContact O-NZ 3.43Å; G10-G60 WeakPolarHBondContact O-CA 3.24Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å | ||
| 11 | S | 93.7 | Very high | 96 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -60.7 | 171.5 | -173.9 | -38.7 | 0 | 0 | 0 | 0 | 113.4 | V14 K16 G60 D92 | S11-V14 WeakPolarHBondContact O-CG2 3.24Å; S11-K16 PolarHBondContact O-NZ 3.03Å; S11-G60 CarbonylContact C-O 3.59Å; S11-D92 WeakPolarHBondContact OG-CB 3.49Å; S11-D92 PolarHBondContact OG-OD2 2.86Å |
| 12 | G | 91.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 20.4 Ų | 20.4 | 34% | 0.34 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V14 G60 | G12-V14 PolarHBondContact O-N 3.43Å; G12-G60 PolarHBondContact N-O 2.76Å; G12-G60 VanDerWaalsContact N-O 3.12Å |
| 13 | G | 92.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 3.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 3.49Å; G13-Y32 PolarHBondContact N-OH 3Å; G13-K117 VanDerWaalsContact O-CE 3.29Å; G13-K117 WeakPolarHBondContact O-CE 3.27Å; G13-K117 PolarHBondContact O-NZ 2.89Å |
| 14 | V | 96.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -70.6 | -17.8 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | S11 G12 K16 V81 T89 N116 | S11-V14 WeakPolarHBondContact O-CG2 3.24Å; G12-V14 PolarHBondContact O-N 3.43Å; V14-K16 HydrophobicContact CG2-CD 4.27Å; V14-K16 HydrophobicContact CG2-CG 3.54Å; V14-V81 HydrophobicContact CB-CG1 4.2Å; V14-V81 HydrophobicContact CG2-CB 3.93Å; V14-V81 HydrophobicContact CG2-CG1 3.8Å; V14-T89 HydrophobicContact CG1-CG2 3.71Å; V14-N116 PolarHBondContact O-ND2 2.93Å |
| 15 | G | 97.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 17% | 0.165 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 99.4 | 27.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 3.49Å; G15-A18 PolarHBondContact O-N 3.4Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.28Å |
| 16 | K | 96.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 17.7 Ų | 17.7 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.9 | -51.4 | 174.5 | -56.3 | -171.1 | -60.8 | -74.1 | 0 | 112.6 | V8 L9 G10 S11 V14 L19 T20 D57 T58 V81 | V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.22Å; V8-K16 HydrophobicContact CG1-CG 3.96Å; L9-K16 VanDerWaalsContact C-CD 3.43Å; G10-K16 WeakPolarHBondContact O-CE 3.45Å; G10-K16 PolarHBondContact O-NZ 3.43Å; S11-K16 PolarHBondContact O-NZ 3.03Å; V14-K16 HydrophobicContact CG2-CD 4.27Å; V14-K16 HydrophobicContact CG2-CG 3.54Å; K16-L19 PolarHBondContact O-N 3.48Å; K16-T20 WeakPolarHBondContact O-CB 3.25Å; K16-T20 PolarHBondContact O-N 3.12Å; K16-T20 PolarHBondContact O-OG1 3.32Å; K16-D57 VanDerWaalsContact CB-OD1 3.27Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; K16-T58 WeakPolarHBondContact CE-O 3.04Å; K16-T58 PolarHBondContact NZ-O 3.39Å; K16-V81 HydrophobicContact CG-CB 4.18Å; K16-V81 HydrophobicContact CG-CG2 4.27Å |
| 17 | S | 96 | Very high | 96.5 | Very high | 28 Ų | 28 | 21.6 Ų | 21.6 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 179.3 | -38.8 | 0 | 0 | 0 | 0 | 111.6 | L19 T20 V21 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.42Å; S17-T20 PolarHBondContact O-N 3.34Å; S17-V21 WeakPolarHBondContact O-CB 3.3Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.4Å; S17-V21 PolarHBondContact O-N 3.09Å; S17-T35 PolarHBondContact OG-OG1 3.43Å; S17-D57 WeakPolarHBondContact CA-OD2 3.33Å; S17-D57 WeakPolarHBondContact CB-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 2.78Å |
| 18 | A | 97.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G15 Q22 F28 A147 | G15-A18 PolarHBondContact O-N 3.4Å; A18-Q22 WeakPolarHBondContact O-CB 3.45Å; A18-Q22 PolarHBondContact O-N 3.25Å; A18-F28 HydrophobicContact CB-CD2 4.18Å; A18-F28 HydrophobicContact CB-CE2 3.88Å; A18-A147 HydrophobicContact CB-CB 3.82Å |
| 19 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 176.3 | -170.5 | 69.3 | 0 | 0 | 0 | 111.3 | G15 K16 S17 F23 V81 V114 T145 A147 V153 F157 | G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.28Å; K16-L19 PolarHBondContact O-N 3.48Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.42Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 3.29Å; L19-V81 HydrophobicContact CD2-CG2 4.46Å; L19-V114 HydrophobicContact CD2-CG1 4.23Å; L19-T145 HydrophobicContact CD1-CG2 4.22Å; L19-A147 HydrophobicContact CB-CB 4.5Å; L19-V153 HydrophobicContact CD1-CB 4.33Å; L19-V153 HydrophobicContact CD1-CG1 4.13Å; L19-V153 HydrophobicContact CD1-CG2 3.96Å; L19-F157 HydrophobicContact CG-CE2 4.38Å |
| 20 | T | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | K16 S17 F23 V24 Y40 I55 D57 | K16-T20 WeakPolarHBondContact O-CB 3.25Å; K16-T20 PolarHBondContact O-N 3.12Å; K16-T20 PolarHBondContact O-OG1 3.32Å; S17-T20 PolarHBondContact O-N 3.34Å; T20-F23 WeakPolarHBondContact O-CB 3.43Å; T20-F23 PolarHBondContact O-N 3.41Å; T20-V24 HydrophobicContact CG2-CG2 4.27Å; T20-V24 WeakPolarHBondContact O-CB 3.35Å; T20-V24 VanDerWaalsContact O-CG2 3.22Å; T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 3.29Å; T20-Y40 HydrophobicContact CG2-CD2 3.43Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.43Å; T20-Y40 HydrophobicContact CG2-CE2 3.84Å; T20-Y40 HydrophobicContact CG2-CG 4.01Å; T20-I55 HydrophobicContact CG2-CB 4.34Å; T20-I55 HydrophobicContact CG2-CG2 3.73Å; T20-D57 HydrophobicContact CG2-CB 4.49Å |
| 21 | V | 97.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S17 F23 V24 Q25 G26 I27 Y40 | S17-V21 WeakPolarHBondContact O-CB 3.3Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.4Å; S17-V21 PolarHBondContact O-N 3.09Å; V21-F23 VanDerWaalsContact C-N 3.28Å; V21-F23 PolarHBondContact O-N 3.47Å; V21-V24 PolarHBondContact O-N 2.9Å; V21-Q25 HydrophobicContact CG1-CB 4.34Å; V21-Q25 HydrophobicContact CG1-CG 4.48Å; V21-Q25 WeakPolarHBondContact O-CA 3.5Å; V21-Q25 WeakPolarHBondContact O-CB 3.43Å; V21-Q25 PolarHBondContact O-N 3.5Å; V21-G26 PolarHBondContact O-N 2.96Å; V21-I27 HydrophobicContact CG1-CD1 4.41Å; V21-I27 HydrophobicContact CG1-CG1 3.83Å; V21-Y40 HydrophobicContact CG2-CE1 4.35Å |
| 22 | Q | 98.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.7 | -175.5 | 69.9 | -68.7 | 0 | 0 | 111.2 | A18 G26 I27 A147 V153 | A18-Q22 WeakPolarHBondContact O-CB 3.45Å; A18-Q22 PolarHBondContact O-N 3.25Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 3.4Å; Q22-G26 PolarHBondContact OE1-O 2.71Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; Q22-I27 VanDerWaalsContact CA-O 3.29Å; Q22-I27 WeakPolarHBondContact CA-O 3.37Å; Q22-I27 PolarHBondContact N-O 3.19Å; Q22-I27 PolarHBondContact OE1-O 2.65Å; Q22-A147 WeakPolarHBondContact CG-O 3.27Å; Q22-A147 PolarHBondContact NE2-O 3.39Å; Q22-V153 HydrophobicContact CB-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG1 4.03Å; Q22-V153 HydrophobicContact CG-CG2 4.04Å |
| 23 | F | 98.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -50.9 | 173.6 | 177.8 | -110.2 | 0 | 0 | 0 | 111.7 | L19 T20 V21 K42 V44 L53 I55 V153 N154 F157 Y158 | L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 3.29Å; T20-F23 WeakPolarHBondContact O-CB 3.43Å; T20-F23 PolarHBondContact O-N 3.41Å; V21-F23 VanDerWaalsContact C-N 3.28Å; V21-F23 PolarHBondContact O-N 3.47Å; F23-K42 HydrophobicContact CD1-CD 3.88Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.48Å; F23-K42 VanDerWaalsContact CE1-CD 3.48Å; F23-K42 HydrophobicContact CE1-CG 4.44Å; F23-K42 HydrophobicContact CE2-CD 4.27Å; F23-K42 HydrophobicContact CG-CD 4.44Å; F23-K42 HydrophobicContact CZ-CD 3.72Å; F23-K42 VanDerWaalsContact O-CE 3.3Å; F23-K42 WeakPolarHBondContact O-CE 3.25Å; F23-K42 PolarHBondContact O-NZ 3.26Å; F23-V44 HydrophobicContact CZ-CG1 3.88Å; F23-L53 HydrophobicContact CE1-CD2 3.91Å; F23-L53 HydrophobicContact CZ-CD2 3.83Å; F23-I55 HydrophobicContact CD1-CD1 3.5Å; F23-I55 VanDerWaalsContact CD1-CD1 3.5Å; F23-I55 HydrophobicContact CE1-CD1 3.56Å; F23-V153 HydrophobicContact CB-CG1 3.78Å; F23-N154 WeakPolarHBondContact CD2-OD1 3.2Å; F23-N154 HydrophobicContact CE2-CB 4.46Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.29Å; F23-F157 HydrophobicContact CB-CD2 3.84Å; F23-F157 HydrophobicContact CB-CE2 3.46Å; F23-F157 VanDerWaalsContact CB-CE2 3.46Å; F23-F157 HydrophobicContact CB-CZ 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.35Å; F23-F157 AromaticContact CD1-CD2 3.72Å; F23-F157 HydrophobicContact CD1-CD2 3.72Å; F23-F157 AromaticContact CD1-CE2 3.93Å; F23-F157 HydrophobicContact CD1-CE2 3.93Å; F23-F157 AromaticContact CD1-CG 3.96Å; F23-F157 HydrophobicContact CD1-CG 3.96Å; F23-F157 HydrophobicContact CD1-CZ 4.32Å; F23-F157 HydrophobicContact CD2-CB 4.41Å; F23-F157 AromaticContact CD2-CD2 3.45Å; F23-F157 HydrophobicContact CD2-CD2 3.45Å; F23-F157 VanDerWaalsContact CD2-CD2 3.45Å; F23-F157 HydrophobicContact CD2-CE2 4.03Å; F23-F157 HydrophobicContact CD2-CG 4.15Å; F23-F157 HydrophobicContact CE1-CB 4.11Å; F23-F157 HydrophobicContact CE1-CD1 4.38Å; F23-F157 HydrophobicContact CE1-CD2 4.09Å; F23-F157 AromaticContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE2-CB 3.91Å; F23-F157 AromaticContact CE2-CD2 3.85Å; F23-F157 HydrophobicContact CE2-CD2 3.85Å; F23-F157 HydrophobicContact CE2-CG 4.12Å; F23-F157 AromaticContact CG-CD2 3.37Å; F23-F157 HydrophobicContact CG-CD2 3.37Å; F23-F157 AromaticContact CG-CE2 3.54Å; F23-F157 HydrophobicContact CG-CE2 3.54Å; F23-F157 HydrophobicContact CG-CG 4.07Å; F23-F157 HydrophobicContact CG-CZ 4.32Å; F23-F157 HydrophobicContact CZ-CB 3.73Å; F23-F157 HydrophobicContact CZ-CD2 4.13Å; F23-F157 AromaticContact CZ-CG 3.99Å; F23-F157 HydrophobicContact CZ-CG 3.99Å; F23-Y158 AromaticContact CE2-CE1 3.89Å; F23-Y158 HydrophobicContact CE2-CE1 3.89Å; F23-Y158 HydrophobicContact CZ-CE1 4.04Å |
| 24 | V | 97.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.1 | -42.4 | -170.9 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | T20 V21 Y40 K42 I55 | T20-V24 HydrophobicContact CG2-CG2 4.27Å; T20-V24 WeakPolarHBondContact O-CB 3.35Å; T20-V24 VanDerWaalsContact O-CG2 3.22Å; T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 3.29Å; V21-V24 PolarHBondContact O-N 2.9Å; V24-Y40 HydrophobicContact CG1-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CD1 4.45Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; V24-K42 HydrophobicContact CG2-CB 4.43Å; V24-I55 HydrophobicContact CG2-CD1 4.23Å |
| 25 | Q | 96.3 | Very high | 92.9 | Very high | 109 Ų | 109 | 57.8 Ų | 57.8 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -114.1 | -12.7 | -168.9 | -58.6 | -178.5 | 1.7 | 0 | 0 | 113.3 | V21 I27 | V21-Q25 HydrophobicContact CG1-CB 4.34Å; V21-Q25 HydrophobicContact CG1-CG 4.48Å; V21-Q25 WeakPolarHBondContact O-CA 3.5Å; V21-Q25 WeakPolarHBondContact O-CB 3.43Å; V21-Q25 PolarHBondContact O-N 3.5Å; Q25-I27 HydrophobicContact CB-CD1 4.44Å; Q25-I27 HydrophobicContact CB-CG1 3.97Å; Q25-I27 PolarHBondContact O-N 3.34Å |
| 26 | G | 96.7 | Very high | 92.3 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 71 | 16.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V21 Q22 K150 | V21-G26 PolarHBondContact O-N 2.96Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 3.4Å; Q22-G26 PolarHBondContact OE1-O 2.71Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; G26-K150 PolarHBondContact O-NZ 3.09Å |
| 27 | I | 95.5 | Very high | 91.9 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | trans | -117.8 | 152.3 | 176.8 | 67.6 | 175.2 | 0 | 0 | 0 | 111.7 | V21 Q22 Q25 V29 | V21-I27 HydrophobicContact CG1-CD1 4.41Å; V21-I27 HydrophobicContact CG1-CG1 3.83Å; Q22-I27 VanDerWaalsContact CA-O 3.29Å; Q22-I27 WeakPolarHBondContact CA-O 3.37Å; Q22-I27 PolarHBondContact N-O 3.19Å; Q22-I27 PolarHBondContact OE1-O 2.65Å; Q25-I27 HydrophobicContact CB-CD1 4.44Å; Q25-I27 HydrophobicContact CB-CG1 3.97Å; Q25-I27 PolarHBondContact O-N 3.34Å; I27-V29 HydrophobicContact CD1-CG2 4.25Å | ||
| 28 | F | 94.5 | Very high | 91.7 | Very high | 73 Ų | 73 | 68.4 Ų | 68.4 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | trans | -115.6 | 124.5 | 170 | 177.4 | -101.2 | 0 | 0 | 0 | 108.8 | A18 E30 A147 K148 | A18-F28 HydrophobicContact CB-CD2 4.18Å; A18-F28 HydrophobicContact CB-CE2 3.88Å; F28-E30 HydrophobicContact CD1-CG 4.19Å; F28-E30 HydrophobicContact CE1-CG 3.93Å; F28-A147 HydrophobicContact CD2-CB 4.1Å; F28-A147 HydrophobicContact CE2-CB 4.17Å; F28-K148 HydrophobicContact CD1-CB 4.3Å; F28-K148 HydrophobicContact CD1-CG 4.05Å; F28-K148 HydrophobicContact CD2-CB 4.26Å; F28-K148 HydrophobicContact CE1-CB 4.04Å; F28-K148 HydrophobicContact CE1-CD 4.18Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4Å; F28-K148 HydrophobicContact CG-CB 4.4Å; F28-K148 HydrophobicContact CZ-CB 3.9Å; F28-K148 HydrophobicContact CZ-CD 4.47Å; F28-K148 HydrophobicContact CZ-CG 4.18Å | ||
| 29 | V | 90.3 | Very high | 91.5 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | trans | -102.6 | 118.5 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 108 | I27 K31 | I27-V29 HydrophobicContact CD1-CG2 4.25Å; V29-K31 VanDerWaalsContact C-N 3.33Å; V29-K31 HydrophobicContact CG1-CB 4.33Å; V29-K31 PolarHBondContact O-N 2.89Å | ||
| 30 | E | 86.4 | Confident | 91.5 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | trans | -70.3 | -30 | -176.6 | -61.9 | -167.9 | 155.1 | 0 | 0 | 113 | F28 Y32 | F28-E30 HydrophobicContact CD1-CG 4.19Å; F28-E30 HydrophobicContact CE1-CG 3.93Å; E30-Y32 PolarHBondContact O-N 3.48Å | ||
| 31 | K | 86.3 | Confident | 91.5 | Very high | 173 Ų | 173 | 79.5 Ų | 79.5 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -70 | 124.1 | 179.4 | -173.5 | -178.2 | 176.3 | -170.9 | 0 | 110 | V29 | V29-K31 VanDerWaalsContact C-N 3.33Å; V29-K31 HydrophobicContact CG1-CB 4.33Å; V29-K31 PolarHBondContact O-N 2.89Å |
| 32 | Y | 76.2 | Confident | 91.6 | Very high | 135 Ų | 135 | 80.9 Ų | 80.9 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | trans | -88.1 | 129.9 | 172.4 | -179.2 | -117.2 | 0 | 0 | 0 | 111.1 | G13 E30 P34 | G13-Y32 PolarHBondContact N-OH 3Å; E30-Y32 PolarHBondContact O-N 3.48Å; Y32-P34 HydrophobicContact CE1-CG 3.94Å | ||
| 33 | D | 83.1 | Confident | 91.6 | Very high | 118 Ų | 118 | 85.5 Ų | 85.5 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | trans | -129.9 | 125.7 | 167.6 | -163.1 | -3.6 | 0 | 0 | 0 | 107.8 | T35 | D33-T35 PolarHBondContact O-N 2.81Å; D33-T35 VanDerWaalsContact O-N 3.13Å | ||
| 34 | P | 85.7 | Confident | 91.5 | Very high | 82 Ų | 82 | 85.9 Ų | 85.9 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | trans | -58.6 | 115.8 | 177.2 | -26.2 | 35.6 | 0 | 0 | 0 | 112.7 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.94Š| ||
| 35 | T | 84 | Confident | 91.5 | Very high | 21 Ų | 21 | 90.1 Ų | 90.1 | 13% | 0.129 | 45% | 0.446 | C | S | . | . | trans | -66.6 | 139.2 | 174.1 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.43Å; D33-T35 PolarHBondContact O-N 2.81Å; D33-T35 VanDerWaalsContact O-N 3.13Å; T35-D38 HydrophobicContact CG2-CB 4.47Å; T35-A59 VanDerWaalsContact O-CA 3.25Å; T35-A59 WeakPolarHBondContact O-CA 3.27Å; T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.39Å | ||
| 36 | I | 84.2 | Confident | 91.5 | Very high | 113 Ų | 113 | 85.2 Ų | 85.2 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -87.8 | -65.5 | 165.1 | -61.4 | 176 | 0 | 0 | 0 | 108.4 | A59 F64 | I36-A59 WeakPolarHBondContact O-CA 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.48Å; I36-F64 HydrophobicContact CG1-CE1 4.4Å; I36-F64 HydrophobicContact CG1-CZ 4.31Å; I36-F64 HydrophobicContact CG2-CD1 4.13Å; I36-F64 HydrophobicContact CG2-CE1 4.32Å |
| 37 | E | 87.8 | Confident | 91.4 | Very high | 89 Ų | 89 | 88.7 Ų | 88.7 | 42% | 0.416 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 130.7 | 172.6 | -175.2 | 178.8 | 93.6 | 0 | 0 | 107.5 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.58Å; E37-L56 HydrophobicContact CG-CD2 4.5Å; E37-L56 HydrophobicContact CG-CG 4.12Å; E37-D57 WeakPolarHBondContact CA-O 3.42Å |
| 38 | D | 92.3 | Very high | 91.4 | Very high | 74 Ų | 74 | 87.5 Ų | 87.5 | 40% | 0.396 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.1 | 176.2 | -78.2 | -59.4 | 0 | 0 | 0 | 110.2 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.47Å; D38-Y40 HydrophobicContact CB-CD2 4.41Å; D38-Y40 HydrophobicContact CB-CE2 3.59Å; D38-D57 HydrophobicContact CB-CB 4.45Å; D38-D57 PolarHBondContact N-O 2.74Å; D38-D57 PolarHBondContact O-N 3.41Å |
| 39 | S | 94.6 | Very high | 91.3 | Very high | 71 Ų | 71 | 87.5 Ų | 87.5 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.1 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | I55 | S39-I55 WeakPolarHBondContact CA-O 3.48Å |
| 40 | Y | 97.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 89.5 Ų | 89.5 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.3 | 179.1 | -60.7 | -89.7 | 0 | 0 | 0 | 110.9 | T20 V21 V24 D38 E54 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.43Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.43Å; T20-Y40 HydrophobicContact CG2-CE2 3.84Å; T20-Y40 HydrophobicContact CG2-CG 4.01Å; V21-Y40 HydrophobicContact CG2-CE1 4.35Å; V24-Y40 HydrophobicContact CG1-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CD1 4.45Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; D38-Y40 HydrophobicContact CB-CD2 4.41Å; D38-Y40 HydrophobicContact CB-CE2 3.59Å; Y40-E54 CarbonylContact O-C 3.51Å; Y40-E54 WeakPolarHBondContact O-CA 3.43Å; Y40-I55 PolarHBondContact N-O 3.28Å; Y40-I55 PolarHBondContact O-N 3.41Å; Y40-D57 HydrophobicContact CD2-CB 4.49Å; Y40-D57 HydrophobicContact CE2-CB 4.12Å |
| 41 | R | 98.2 | Very high | 92.1 | Very high | 141 Ų | 141 | 81.9 Ų | 81.9 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.6 | 171.9 | -62.5 | -175.4 | 75.3 | -174.3 | 7.5 | 110.4 | E3 M52 L53 | E3-R41 IonicContact OE1-NH2 2.82Å; E3-R41 PolarHBondContact OE1-NH2 2.88Å; R41-M52 HydrophobicContact CB-SD 3.97Å; R41-L53 CarbonylContact C-O 3.53Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.26Å |
| 42 | K | 98.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 75.1 Ų | 75.1 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.3 | 175.2 | -163.9 | -169 | -174.2 | -176.5 | 0 | 110.6 | F23 V24 V44 M52 L53 | F23-K42 HydrophobicContact CD1-CD 3.88Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.48Å; F23-K42 VanDerWaalsContact CE1-CD 3.48Å; F23-K42 HydrophobicContact CE1-CG 4.44Å; F23-K42 HydrophobicContact CE2-CD 4.27Å; F23-K42 HydrophobicContact CG-CD 4.44Å; F23-K42 HydrophobicContact CZ-CD 3.72Å; F23-K42 VanDerWaalsContact O-CE 3.3Å; F23-K42 WeakPolarHBondContact O-CE 3.25Å; F23-K42 PolarHBondContact O-NZ 3.26Å; V24-K42 HydrophobicContact CG2-CB 4.43Å; K42-V44 HydrophobicContact CB-CG1 4.45Å; K42-V44 HydrophobicContact CD-CG1 3.6Å; K42-V44 HydrophobicContact CG-CG1 3.87Å; K42-M52 VanDerWaalsContact C-SD 3.57Å; K42-L53 PolarHBondContact N-O 2.84Å; K42-L53 PolarHBondContact O-N 3.09Å |
| 43 | Q | 98.3 | Very high | 93.8 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129 | 167.2 | -173.6 | 175.1 | 22.3 | 0 | 0 | 109.3 | M1 C51 M52 | M1-Q43 HydrophobicContact CE-CG 3.95Å; M1-Q43 HydrophobicContact SD-CG 3.85Å; M1-Q43 PolarHBondContact SD-NE2 2.71Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å; Q43-M52 HydrophobicContact CB-CE 4.26Å |
| 44 | V | 98 | Very high | 94.5 | Very high | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 165 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | F23 K42 V46 Q50 C51 L53 Y158 | F23-V44 HydrophobicContact CZ-CG1 3.88Å; K42-V44 HydrophobicContact CB-CG1 4.45Å; K42-V44 HydrophobicContact CD-CG1 3.6Å; K42-V44 HydrophobicContact CG-CG1 3.87Å; V44-V46 HydrophobicContact CG2-CG2 4.08Å; V44-Q50 WeakPolarHBondContact O-CA 3.48Å; V44-C51 VanDerWaalsContact CG2-SG 3.57Å; V44-C51 PolarHBondContact N-O 2.9Å; V44-C51 PolarHBondContact O-N 3.14Å; V44-L53 HydrophobicContact CG2-CD1 3.57Å; V44-L53 HydrophobicContact CG2-CD2 4.08Å; V44-L53 HydrophobicContact CG2-CG 4.44Å; V44-Y158 HydrophobicContact CB-CE1 3.88Å; V44-Y158 HydrophobicContact CG1-CE1 4.05Å; V44-Y158 HydrophobicContact CG2-CE1 3.95Å |
| 45 | E | 97.4 | Very high | 95.1 | Very high | 119 Ų | 119 | 62 Ų | 62 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.2 | 171.4 | -170.8 | 177.1 | 136.8 | 0 | 0 | 109.4 | G48 Q49 | E45-G48 WeakPolarHBondContact OE1-CA 3.48Å; E45-Q49 WeakPolarHBondContact CA-O 3.35Å |
| 46 | V | 96.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.4 | 175 | -178.3 | 0 | 0 | 0 | 0 | 108 | V44 G48 Q49 Y158 V161 R162 | V44-V46 HydrophobicContact CG2-CG2 4.08Å; V46-G48 VanDerWaalsContact C-N 3.28Å; V46-G48 PolarHBondContact O-N 2.92Å; V46-Q49 PolarHBondContact N-O 3.22Å; V46-Q49 WeakPolarHBondContact O-CB 3.29Å; V46-Q49 PolarHBondContact O-N 2.85Å; V46-Y158 HydrophobicContact CG2-CD1 3.59Å; V46-Y158 HydrophobicContact CG2-CE1 4.12Å; V46-Y158 HydrophobicContact CG2-CG 3.98Å; V46-V161 HydrophobicContact CB-CG1 3.94Å; V46-V161 HydrophobicContact CG1-CB 4.38Å; V46-V161 HydrophobicContact CG1-CG1 3.92Å; V46-V161 HydrophobicContact CG2-CB 4.25Å; V46-V161 HydrophobicContact CG2-CG1 3.98Å; V46-V161 HydrophobicContact CG2-CG2 4.45Å; V46-R162 HydrophobicContact CG1-CG 4.02Å |
| 47 | D | 94.6 | Very high | 96.2 | Very high | 107 Ų | 107 | 57 Ų | 57 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42.9 | 179.7 | -52.2 | -22.8 | 0 | 0 | 0 | 113.1 | Q49 R162 | D47-Q49 VanDerWaalsContact C-N 3.29Å; D47-Q49 PolarHBondContact O-N 3.05Å; D47-R162 IonicContact OD1-CZ 3.64Å; D47-R162 IonicContact OD1-NE 2.97Å; D47-R162 PolarHBondContact OD1-NE 3.03Å; D47-R162 IonicContact OD1-NH2 2.77Å; D47-R162 PolarHBondContact OD1-NH2 2.96Å; D47-R162 WeakPolarHBondContact OD2-CG 2.91Å; D47-R162 IonicContact OD2-NE 3.12Å; D47-R162 PolarHBondContact OD2-NE 2.96Å; D47-R162 VanDerWaalsContact OD2-NE 3.12Å |
| 48 | G | 94 | Very high | 96.4 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 9.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E45 V46 | E45-G48 WeakPolarHBondContact OE1-CA 3.48Å; V46-G48 VanDerWaalsContact C-N 3.28Å; V46-G48 PolarHBondContact O-N 2.92Å |
| 49 | Q | 93.7 | Very high | 96.1 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.9 | -177.7 | -63.5 | -177.1 | -11.1 | 0 | 0 | 111.4 | E45 V46 D47 C51 Q173 | E45-Q49 WeakPolarHBondContact CA-O 3.35Å; V46-Q49 PolarHBondContact N-O 3.22Å; V46-Q49 WeakPolarHBondContact O-CB 3.29Å; V46-Q49 PolarHBondContact O-N 2.85Å; D47-Q49 VanDerWaalsContact C-N 3.29Å; D47-Q49 PolarHBondContact O-N 3.05Å; Q49-C51 PolarHBondContact O-N 3.08Å; Q49-Q173 VanDerWaalsContact NE2-NE2 3.18Å; Q49-Q173 VanDerWaalsContact NE2-OE1 3.09Å |
| 50 | Q | 96.6 | Very high | 95.2 | Very high | 127 Ų | 127 | 47.3 Ų | 47.3 | 59% | 0.593 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 130.9 | 170.2 | -68 | -175.2 | -13.3 | 0 | 0 | 110.5 | M1 V44 | M1-Q50 WeakPolarHBondContact CG-O 3.27Å; M1-Q50 HydrophobicContact SD-CB 3.99Å; V44-Q50 WeakPolarHBondContact O-CA 3.48Å |
| 51 | C | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.3 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | M1 R2 Y4 Q43 V44 Q49 L53 | M1-C51 VanDerWaalsContact CG-CA 3.46Å; M1-C51 VanDerWaalsContact SD-CA 3.59Å; R2-C51 WeakPolarHBondContact O-CA 3.42Å; R2-C51 WeakPolarHBondContact O-CB 3.33Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.32Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å; V44-C51 VanDerWaalsContact CG2-SG 3.57Å; V44-C51 PolarHBondContact N-O 2.9Å; V44-C51 PolarHBondContact O-N 3.14Å; Q49-C51 PolarHBondContact O-N 3.08Å; C51-L53 HydrophobicContact CB-CD1 4.46Å |
| 52 | M | 98.4 | Very high | 91.9 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.3 | 171.3 | -176.2 | 63.5 | 74.7 | 0 | 0 | 109 | M1 R2 E3 Y4 R41 K42 Q43 | M1-M52 HydrophobicContact CE-CB 3.97Å; M1-M52 HydrophobicContact CE-CE 3.92Å; R2-M52 PolarHBondContact O-N 3.22Å; E3-M52 CarbonylContact C-O 3.6Å; E3-M52 VanDerWaalsContact CA-O 3.29Å; E3-M52 WeakPolarHBondContact CA-O 3.06Å; E3-M52 HydrophobicContact CG-CB 4.14Å; Y4-M52 PolarHBondContact N-O 3.41Å; R41-M52 HydrophobicContact CB-SD 3.97Å; K42-M52 VanDerWaalsContact C-SD 3.57Å; Q43-M52 HydrophobicContact CB-CE 4.26Å |
| 53 | L | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.3 | 170.2 | -82.1 | 52.2 | 0 | 0 | 0 | 107.7 | Y4 I6 F23 R41 K42 V44 C51 I55 F157 V161 | Y4-L53 HydrophobicContact CD2-CD1 4.2Å; I6-L53 HydrophobicContact CD1-CD2 3.96Å; I6-L53 HydrophobicContact CD1-CG 3.95Å; F23-L53 HydrophobicContact CE1-CD2 3.91Å; F23-L53 HydrophobicContact CZ-CD2 3.83Å; R41-L53 CarbonylContact C-O 3.53Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.26Å; K42-L53 PolarHBondContact N-O 2.84Å; K42-L53 PolarHBondContact O-N 3.09Å; V44-L53 HydrophobicContact CG2-CD1 3.57Å; V44-L53 HydrophobicContact CG2-CD2 4.08Å; V44-L53 HydrophobicContact CG2-CG 4.44Å; C51-L53 HydrophobicContact CB-CD1 4.46Å; L53-I55 HydrophobicContact CB-CD1 4.4Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; L53-V161 HydrophobicContact CD1-CG2 3.77Å; L53-V161 HydrophobicContact CD2-CG2 4.08Å; L53-V161 HydrophobicContact CG-CG2 4.08Å |
| 54 | E | 98.4 | Very high | 87.9 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.9 | 165.5 | -176.2 | -175.8 | 174.2 | 0 | 0 | 106.4 | Y4 K5 I6 Y40 | Y4-E54 PolarHBondContact O-N 3.24Å; K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.43Å; K5-E54 VanDerWaalsContact CE-OE2 3.31Å; K5-E54 WeakPolarHBondContact CE-OE2 3.31Å; I6-E54 PolarHBondContact N-O 2.97Å; Y40-E54 CarbonylContact O-C 3.51Å; Y40-E54 WeakPolarHBondContact O-CA 3.43Å |
| 55 | I | 98.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.9 | -174.5 | -57.1 | 167.5 | 0 | 0 | 0 | 108 | I6 V8 T20 F23 V24 S39 Y40 L53 F157 | I6-I55 HydrophobicContact CB-CG1 4.36Å; I6-I55 CarbonylContact O-C 3.4Å; I6-I55 WeakPolarHBondContact O-CA 3.32Å; V8-I55 HydrophobicContact CG2-CG2 3.71Å; T20-I55 HydrophobicContact CG2-CB 4.34Å; T20-I55 HydrophobicContact CG2-CG2 3.73Å; F23-I55 HydrophobicContact CD1-CD1 3.5Å; F23-I55 VanDerWaalsContact CD1-CD1 3.5Å; F23-I55 HydrophobicContact CE1-CD1 3.56Å; V24-I55 HydrophobicContact CG2-CD1 4.23Å; S39-I55 WeakPolarHBondContact CA-O 3.48Å; Y40-I55 PolarHBondContact N-O 3.28Å; Y40-I55 PolarHBondContact O-N 3.41Å; L53-I55 HydrophobicContact CB-CD1 4.4Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; I55-F157 HydrophobicContact CD1-CD1 3.78Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.33Å; I55-F157 HydrophobicContact CG1-CD1 4.33Å; I55-F157 HydrophobicContact CG1-CE1 4.2Å; I55-F157 HydrophobicContact CG2-CE1 4.03Å |
| 56 | L | 96.3 | Very high | 84.2 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.9 | 171.1 | -167.3 | 71.3 | 0 | 0 | 0 | 109.4 | I6 V7 V8 E37 T58 Y71 | I6-L56 PolarHBondContact O-N 3.37Å; V7-L56 HydrophobicContact CG1-CB 4.47Å; V7-L56 HydrophobicContact CG1-CD2 4.37Å; V7-L56 HydrophobicContact CG2-CB 4.46Å; V8-L56 PolarHBondContact N-O 3.01Å; E37-L56 HydrophobicContact CG-CD1 3.58Å; E37-L56 HydrophobicContact CG-CD2 4.5Å; E37-L56 HydrophobicContact CG-CG 4.12Å; L56-T58 HydrophobicContact CD2-CG2 4.17Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; L56-Y71 HydrophobicContact CD2-CD1 3.95Å; L56-Y71 HydrophobicContact CD2-CG 3.74Å |
| 57 | D | 94.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.8 | 168.1 | -175.9 | 29.7 | 0 | 0 | 0 | 109.4 | K16 S17 T20 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.27Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; S17-D57 WeakPolarHBondContact CA-OD2 3.33Å; S17-D57 WeakPolarHBondContact CB-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 2.78Å; T20-D57 HydrophobicContact CG2-CB 4.49Å; E37-D57 WeakPolarHBondContact CA-O 3.42Å; D38-D57 HydrophobicContact CB-CB 4.45Å; D38-D57 PolarHBondContact N-O 2.74Å; D38-D57 PolarHBondContact O-N 3.41Å; Y40-D57 HydrophobicContact CD2-CB 4.49Å; Y40-D57 HydrophobicContact CE2-CB 4.12Å |
| 58 | T | 92.2 | Very high | 82.5 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 156.2 | -167.4 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | V7 V8 L9 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.81Å; V8-T58 PolarHBondContact O-OG1 3.47Å; L9-T58 HydrophobicContact CD2-CG2 4.09Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.36Å; K16-T58 WeakPolarHBondContact CE-O 3.04Å; K16-T58 PolarHBondContact NZ-O 3.39Å; L56-T58 HydrophobicContact CD2-CG2 4.17Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; T58-G60 PolarHBondContact O-N 3.37Å; T58-Y71 HydrophobicContact CG2-CD1 4.42Å; T58-Y71 HydrophobicContact CG2-CE1 4.07Å; T58-Y71 HydrophobicContact CG2-CE2 4.35Å |
| 59 | A | 87.2 | Confident | 82.2 | Confident | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | trans | -57.2 | 137.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T35 I36 T61 F64 | T35-A59 VanDerWaalsContact O-CA 3.25Å; T35-A59 WeakPolarHBondContact O-CA 3.27Å; T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 WeakPolarHBondContact O-CA 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.48Å; A59-T61 VanDerWaalsContact C-N 3.33Å; A59-F64 HydrophobicContact CB-CB 3.83Å; A59-F64 HydrophobicContact CB-CD2 3.8Å; A59-F64 HydrophobicContact CB-CG 4.14Å | ||
| 60 | G | 73.9 | Confident | 82 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.4 | -4.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G10 S11 G12 T58 | G10-G60 WeakPolarHBondContact O-CA 3.24Å; S11-G60 CarbonylContact C-O 3.59Å; G12-G60 PolarHBondContact N-O 2.76Å; G12-G60 VanDerWaalsContact N-O 3.12Å; T58-G60 PolarHBondContact O-N 3.37Å |
| 61 | T | 66.1 | Low | 81.8 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -104.3 | 152.1 | -175.5 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | A59 Q63 F64 | A59-T61 VanDerWaalsContact C-N 3.33Å; T61-Q63 PolarHBondContact O-N 3.45Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.32Å |
| 62 | E | 60.6 | Low | 81.6 | Confident | 155 Ų | 155 | 54.2 Ų | 54.2 | 72% | 0.724 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -70.1 | -14 | 178.8 | -63.7 | -169.2 | 163.5 | 0 | 0 | 113.8 | F64 T65 | E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 2.93Å; E62-T65 VanDerWaalsContact C-CG2 3.42Å; E62-T65 HydrophobicContact CB-CG2 4.29Å; E62-T65 VanDerWaalsContact O-CB 3.27Å; E62-T65 WeakPolarHBondContact O-CB 3.42Å; E62-T65 WeakPolarHBondContact O-CG2 3.48Å; E62-T65 PolarHBondContact O-N 3.47Å; E62-T65 PolarHBondContact O-OG1 3.46Å |
| 63 | Q | 55.1 | Low | 81.4 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -73.1 | -21.2 | -174.9 | -68.8 | 162.7 | -3.1 | 0 | 0 | 113.2 | T61 | T61-Q63 PolarHBondContact O-N 3.45Š|
| 64 | F | 58 | Low | 81.2 | Confident | 104 Ų | 104 | 63.7 Ų | 63.7 | 46% | 0.456 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -101.2 | 20 | 179.2 | -61.9 | -73.7 | 0 | 0 | 0 | 113.1 | I36 A59 T61 E62 | I36-F64 HydrophobicContact CG1-CE1 4.4Å; I36-F64 HydrophobicContact CG1-CZ 4.31Å; I36-F64 HydrophobicContact CG2-CD1 4.13Å; I36-F64 HydrophobicContact CG2-CE1 4.32Å; A59-F64 HydrophobicContact CB-CB 3.83Å; A59-F64 HydrophobicContact CB-CD2 3.8Å; A59-F64 HydrophobicContact CB-CG 4.14Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.32Å; E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 2.93Å |
| 65 | T | 56.9 | Low | 81.1 | Confident | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -89.1 | -6.7 | -164.9 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | E62 M67 R68 | E62-T65 VanDerWaalsContact C-CG2 3.42Å; E62-T65 HydrophobicContact CB-CG2 4.29Å; E62-T65 VanDerWaalsContact O-CB 3.27Å; E62-T65 WeakPolarHBondContact O-CB 3.42Å; E62-T65 WeakPolarHBondContact O-CG2 3.48Å; E62-T65 PolarHBondContact O-N 3.47Å; E62-T65 PolarHBondContact O-OG1 3.46Å; T65-M67 PolarHBondContact O-N 3.44Å; T65-R68 HydrophobicContact CG2-CG 3.83Å; T65-R68 VanDerWaalsContact CG2-NH2 3.28Å; T65-R68 WeakPolarHBondContact O-CG 3.38Å; T65-R68 PolarHBondContact O-N 2.97Å |
| 66 | A | 61.7 | Low | 81.1 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 88% | 0.876 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -55.4 | -21.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 67 | M | 72.6 | Confident | 81.2 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -106.3 | 8.3 | 178.4 | -59.4 | -165.2 | -64.4 | 0 | 0 | 114.9 | T65 D69 L70 Y71 | T65-M67 PolarHBondContact O-N 3.44Å; M67-D69 PolarHBondContact O-N 3.21Å; M67-L70 PolarHBondContact O-N 3.41Å; M67-L70 VanDerWaalsContact O-N 3.09Å; M67-Y71 WeakPolarHBondContact O-CD1 3.45Å |
| 68 | R | 82.3 | Confident | 81.4 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.9 | -44.2 | -179.2 | -68.6 | -146.4 | 167.7 | 139.7 | 6.2 | 112.4 | T65 L70 Y71 M72 | T65-R68 HydrophobicContact CG2-CG 3.83Å; T65-R68 VanDerWaalsContact CG2-NH2 3.28Å; T65-R68 WeakPolarHBondContact O-CG 3.38Å; T65-R68 PolarHBondContact O-N 2.97Å; R68-L70 PolarHBondContact O-N 3.23Å; R68-Y71 VanDerWaalsContact CA-CE1 3.49Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.34Å; R68-Y71 HydrophobicContact CB-CE2 4.25Å; R68-Y71 WeakPolarHBondContact CD-OH 3.44Å; R68-Y71 HydrophobicContact CG-CE1 4.32Å; R68-Y71 WeakPolarHBondContact CG-OH 3.4Å; R68-Y71 PolarHBondContact NE-OH 3.06Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.46Å; R68-Y71 WeakPolarHBondContact O-CE2 3.39Å; R68-Y71 PolarHBondContact O-N 3.05Å; R68-M72 HydrophobicContact CB-CE 4.21Å; R68-M72 HydrophobicContact CB-SD 4.43Å; R68-M72 WeakPolarHBondContact O-CB 3.5Å; R68-M72 VanDerWaalsContact O-CG 3.25Å; R68-M72 WeakPolarHBondContact O-CG 3.44Å; R68-M72 PolarHBondContact O-N 3.08Å |
| 69 | D | 88.4 | Confident | 81.7 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -30 | -175.6 | -67.7 | 4 | 0 | 0 | 0 | 111.6 | M67 K73 Q99 V103 | M67-D69 PolarHBondContact O-N 3.21Å; D69-K73 WeakPolarHBondContact O-CB 3.48Å; D69-K73 PolarHBondContact O-N 2.95Å; D69-Q99 PolarHBondContact OD1-NE2 2.95Å; D69-Q99 VanDerWaalsContact OD1-NE2 3.08Å; D69-V103 HydrophobicContact CB-CG1 4.4Å; D69-V103 HydrophobicContact CB-CG2 4.13Å; D69-V103 WeakPolarHBondContact O-CG1 3.3Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.35Å |
| 70 | L | 89.9 | Confident | 82.3 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69 | -51.2 | -179.5 | -176.9 | 62.6 | 0 | 0 | 0 | 111.8 | M67 R68 M72 K73 N74 | M67-L70 PolarHBondContact O-N 3.41Å; M67-L70 VanDerWaalsContact O-N 3.09Å; R68-L70 PolarHBondContact O-N 3.23Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-K73 PolarHBondContact O-N 2.81Å; L70-N74 WeakPolarHBondContact O-CB 3.36Å; L70-N74 VanDerWaalsContact O-CG 3.32Å; L70-N74 PolarHBondContact O-N 3.12Å; L70-N74 PolarHBondContact O-ND2 3.36Å |
| 71 | Y | 90.6 | Very high | 83.5 | Confident | 21 Ų | 21 | 61 Ų | 61 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.2 | -30.7 | 178.7 | 60.5 | -118.4 | 0 | 0 | 0 | 111.9 | V7 L9 L56 T58 M67 R68 N74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.66Å; V7-Y71 HydrophobicContact CG1-CE2 4.08Å; V7-Y71 HydrophobicContact CG1-CG 4.32Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CE2 3.52Å; L9-Y71 WeakPolarHBondContact CD2-OH 3.48Å; L9-Y71 HydrophobicContact CG-CE2 4.47Å; L56-Y71 HydrophobicContact CD2-CD1 3.95Å; L56-Y71 HydrophobicContact CD2-CG 3.74Å; T58-Y71 HydrophobicContact CG2-CD1 4.42Å; T58-Y71 HydrophobicContact CG2-CE1 4.07Å; T58-Y71 HydrophobicContact CG2-CE2 4.35Å; M67-Y71 WeakPolarHBondContact O-CD1 3.45Å; R68-Y71 VanDerWaalsContact CA-CE1 3.49Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.34Å; R68-Y71 HydrophobicContact CB-CE2 4.25Å; R68-Y71 WeakPolarHBondContact CD-OH 3.44Å; R68-Y71 HydrophobicContact CG-CE1 4.32Å; R68-Y71 WeakPolarHBondContact CG-OH 3.4Å; R68-Y71 PolarHBondContact NE-OH 3.06Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.46Å; R68-Y71 WeakPolarHBondContact O-CE2 3.39Å; R68-Y71 PolarHBondContact O-N 3.05Å; Y71-N74 PolarHBondContact O-N 3.19Å; Y71-G75 WeakPolarHBondContact O-CA 3.43Å; Y71-G75 PolarHBondContact O-N 2.97Å |
| 72 | M | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 173.1 | -72.2 | 179.1 | -178.4 | 0 | 0 | 110.5 | L9 R68 L70 N74 F78 L96 Q99 I100 V103 K104 | L9-M72 HydrophobicContact CD1-CE 4.16Å; L9-M72 HydrophobicContact CD2-CE 4.48Å; R68-M72 HydrophobicContact CB-CE 4.21Å; R68-M72 HydrophobicContact CB-SD 4.43Å; R68-M72 WeakPolarHBondContact O-CB 3.5Å; R68-M72 VanDerWaalsContact O-CG 3.25Å; R68-M72 WeakPolarHBondContact O-CG 3.44Å; R68-M72 PolarHBondContact O-N 3.08Å; L70-M72 VanDerWaalsContact C-N 3.34Å; M72-N74 VanDerWaalsContact C-N 3.33Å; M72-N74 PolarHBondContact O-N 2.97Å; M72-F78 HydrophobicContact CG-CE1 4.48Å; M72-F78 WeakPolarHBondContact O-CZ 3.48Å; M72-L96 HydrophobicContact CE-CD2 4.47Å; M72-Q99 HydrophobicContact CE-CB 4.31Å; M72-Q99 HydrophobicContact CE-CG 4.05Å; M72-Q99 HydrophobicContact SD-CB 4.25Å; M72-Q99 HydrophobicContact SD-CG 3.67Å; M72-I100 HydrophobicContact CE-CG1 3.89Å; M72-I100 HydrophobicContact CG-CG1 4.05Å; M72-I100 HydrophobicContact SD-CG1 3.87Å; M72-V103 HydrophobicContact CB-CB 4.07Å; M72-V103 HydrophobicContact CB-CG1 3.75Å; M72-V103 HydrophobicContact CB-CG2 4.44Å; M72-V103 HydrophobicContact SD-CG2 4.31Å; M72-K104 WeakPolarHBondContact O-CE 3.5Å; M72-K104 PolarHBondContact O-NZ 3.28Å; M72-K104 VanDerWaalsContact O-NZ 3.09Å |
| 73 | K | 94.7 | Very high | 86.8 | Confident | 144 Ų | 144 | 50.9 Ų | 50.9 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 174.8 | -174.3 | 173 | -176 | 173.7 | 0 | 112 | D69 L70 V103 K104 | D69-K73 WeakPolarHBondContact O-CB 3.48Å; D69-K73 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 2.81Å; K73-V103 HydrophobicContact CB-CG1 3.94Å; K73-K104 PolarHBondContact O-NZ 2.95Å |
| 74 | N | 94.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -86.8 | -25 | -176 | -68.2 | -25.7 | 0 | 0 | 0 | 114.8 | L70 Y71 M72 | L70-N74 WeakPolarHBondContact O-CB 3.36Å; L70-N74 VanDerWaalsContact O-CG 3.32Å; L70-N74 PolarHBondContact O-N 3.12Å; L70-N74 PolarHBondContact O-ND2 3.36Å; Y71-N74 PolarHBondContact O-N 3.19Å; M72-N74 VanDerWaalsContact C-N 3.33Å; M72-N74 PolarHBondContact O-N 2.97Å |
| 75 | G | 97 | Very high | 90.9 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -66.6 | 136.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y71 K104 | Y71-G75 WeakPolarHBondContact O-CA 3.43Å; Y71-G75 PolarHBondContact O-N 2.97Å; G75-K104 WeakPolarHBondContact O-CE 3.37Å; G75-K104 PolarHBondContact O-NZ 3.09Å | ||
| 76 | Q | 98.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -94.6 | -25.8 | 178.5 | -66.9 | 172.9 | -57.1 | 0 | 0 | 112.5 | K5 P110 I164 | K5-Q76 HydrophobicContact CB-CG 4.33Å; K5-Q76 WeakPolarHBondContact O-CA 3.45Å; K5-Q76 WeakPolarHBondContact O-CB 3.41Å; K5-Q76 PolarHBondContact O-N 3.28Å; Q76-P110 WeakPolarHBondContact O-CD 3.25Å; Q76-P110 WeakPolarHBondContact O-CG 3.37Å; Q76-I164 HydrophobicContact CB-CD1 3.94Å; Q76-I164 HydrophobicContact CB-CG1 4.24Å; Q76-I164 HydrophobicContact CB-CG2 4.28Å |
| 77 | G | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K5 I6 V7 P110 | K5-G77 PolarHBondContact O-N 2.86Å; I6-G77 WeakPolarHBondContact CA-O 2.94Å; V7-G77 PolarHBondContact N-O 3.11Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å |
| 78 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | -171.8 | -59 | -81.6 | 0 | 0 | 0 | 111.5 | V7 L9 M72 I100 V109 P110 M111 I112 | V7-F78 HydrophobicContact CB-CD1 3.97Å; V7-F78 HydrophobicContact CB-CE1 4.11Å; V7-F78 HydrophobicContact CG2-CD1 4.44Å; V7-F78 HydrophobicContact CG2-CE1 4.11Å; V7-F78 WeakPolarHBondContact O-CA 3.12Å; L9-F78 HydrophobicContact CD1-CD1 3.96Å; M72-F78 HydrophobicContact CG-CE1 4.48Å; M72-F78 WeakPolarHBondContact O-CZ 3.48Å; F78-I100 HydrophobicContact CB-CD1 4.09Å; F78-I100 HydrophobicContact CD1-CD1 3.92Å; F78-I100 HydrophobicContact CD1-CG1 4.22Å; F78-I100 HydrophobicContact CD1-CG2 4.3Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE1-CG1 4.44Å; F78-I100 HydrophobicContact CE1-CG2 4.23Å; F78-I100 HydrophobicContact CE2-CG2 3.66Å; F78-I100 HydrophobicContact CG-CD1 3.94Å; F78-I100 HydrophobicContact CG-CG2 4.08Å; F78-I100 HydrophobicContact CZ-CG2 3.92Å; F78-V109 HydrophobicContact CD2-CB 4.22Å; F78-V109 HydrophobicContact CD2-CG2 3.83Å; F78-V109 HydrophobicContact CE2-CB 4.26Å; F78-V109 HydrophobicContact CE2-CG2 4.23Å; F78-P110 PolarHBondContact N-O 2.94Å; F78-M111 HydrophobicContact CB-CE 4.29Å; F78-M111 HydrophobicContact CB-CG 4.5Å; F78-M111 VanDerWaalsContact O-CA 3.3Å; F78-M111 WeakPolarHBondContact O-CA 3.43Å; F78-I112 PolarHBondContact O-N 2.89Å |
| 79 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.6 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 107.5 | I6 V7 V8 L9 V81 I112 V114 V156 L160 | I6-V79 HydrophobicContact CG2-CG2 3.91Å; V7-V79 PolarHBondContact O-N 3.32Å; V8-V79 HydrophobicContact CB-CB 4.5Å; V8-V79 HydrophobicContact CG1-CB 4.25Å; V8-V79 HydrophobicContact CG1-CG1 4.38Å; V8-V79 HydrophobicContact CG2-CB 4.29Å; V8-V79 HydrophobicContact CG2-CG2 4.41Å; L9-V79 PolarHBondContact N-O 3.3Å; V79-V81 HydrophobicContact CG1-CG2 3.71Å; V79-I112 HydrophobicContact CB-CG2 4.34Å; V79-I112 HydrophobicContact CG1-CG2 4.21Å; V79-I112 HydrophobicContact CG2-CG2 4.03Å; V79-V114 HydrophobicContact CG1-CB 4.31Å; V79-V114 HydrophobicContact CG1-CG2 3.6Å; V79-V156 HydrophobicContact CG1-CG1 3.74Å; V79-V156 HydrophobicContact CG2-CG1 3.91Å; V79-L160 HydrophobicContact CG2-CD2 3.77Å |
| 80 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.2 | 176.6 | -67.2 | -167 | 0 | 0 | 0 | 109.7 | L9 L93 L96 R97 I100 M111 I112 L113 V114 F138 | L9-L80 HydrophobicContact CB-CD2 3.78Å; L9-L80 HydrophobicContact CD1-CD2 4.26Å; L80-L93 HydrophobicContact CB-CD1 4.38Å; L80-L93 HydrophobicContact CB-CD2 4.22Å; L80-L96 HydrophobicContact CD2-CB 4.42Å; L80-R97 HydrophobicContact CD1-CB 3.99Å; L80-I100 HydrophobicContact CD2-CD1 3.82Å; L80-M111 HydrophobicContact CD1-CE 3.89Å; L80-M111 HydrophobicContact CD1-CG 4.4Å; L80-M111 HydrophobicContact CD1-SD 3.57Å; L80-M111 VanDerWaalsContact CD1-SD 3.57Å; L80-M111 HydrophobicContact CG-CE 4.3Å; L80-M111 HydrophobicContact CG-CG 4.33Å; L80-M111 HydrophobicContact CG-SD 4.11Å; L80-I112 PolarHBondContact N-O 3.43Å; L80-L113 HydrophobicContact CB-CD1 4.16Å; L80-V114 PolarHBondContact O-N 3.14Å; L80-F138 HydrophobicContact CD1-CE2 4.36Å |
| 81 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127 | -171.5 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | V8 L9 G10 V14 K16 L19 V79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.73Å; L9-V81 PolarHBondContact O-N 2.97Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å; V14-V81 HydrophobicContact CB-CG1 4.2Å; V14-V81 HydrophobicContact CG2-CB 3.93Å; V14-V81 HydrophobicContact CG2-CG1 3.8Å; K16-V81 HydrophobicContact CG-CB 4.18Å; K16-V81 HydrophobicContact CG-CG2 4.27Å; L19-V81 HydrophobicContact CD2-CG2 4.46Å; V79-V81 HydrophobicContact CG1-CG2 3.71Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CG1 4.33Å; V81-V114 HydrophobicContact CG2-CB 4.28Å; V81-N116 HydrophobicContact CG1-CB 3.76Å |
| 82 | Y | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 165.1 | 163.8 | 69.6 | -82.1 | 0 | 0 | 0 | 110.7 | I84 T89 F90 L93 L113 V114 N116 V126 F142 | Y82-I84 HydrophobicContact CE2-CG2 4.04Å; Y82-T89 WeakPolarHBondContact CB-O 3.33Å; Y82-F90 AromaticContact CD1-CD2 3.91Å; Y82-F90 HydrophobicContact CD1-CD2 3.91Å; Y82-F90 HydrophobicContact CD2-CB 3.87Å; Y82-F90 AromaticContact CD2-CD2 3.95Å; Y82-F90 HydrophobicContact CD2-CD2 3.95Å; Y82-F90 HydrophobicContact CD2-CG 4.39Å; Y82-F90 AromaticContact CE1-CD2 3.84Å; Y82-F90 HydrophobicContact CE1-CD2 3.84Å; Y82-F90 HydrophobicContact CE1-CE2 4.28Å; Y82-F90 HydrophobicContact CE2-CB 4.47Å; Y82-F90 AromaticContact CE2-CD2 3.91Å; Y82-F90 HydrophobicContact CE2-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CB 4.05Å; Y82-F90 AromaticContact CG-CD2 3.95Å; Y82-F90 HydrophobicContact CG-CD2 3.95Å; Y82-F90 AromaticContact CZ-CD2 3.84Å; Y82-L93 HydrophobicContact CD1-CD1 3.67Å; Y82-L93 HydrophobicContact CG-CD1 4.17Å; Y82-L113 HydrophobicContact CD1-CD1 4.43Å; Y82-L113 HydrophobicContact CE1-CD2 4.48Å; Y82-L113 HydrophobicContact CE1-CG 4.21Å; Y82-V114 VanDerWaalsContact CD1-O 3.25Å; Y82-V114 WeakPolarHBondContact CD1-O 3.21Å; Y82-V114 PolarHBondContact N-O 2.85Å; Y82-N116 PolarHBondContact O-N 2.96Å; Y82-V126 HydrophobicContact CD2-CB 4.48Å; Y82-V126 HydrophobicContact CD2-CG1 4.37Å; Y82-V126 HydrophobicContact CD2-CG2 4.34Å; Y82-V126 HydrophobicContact CE2-CB 3.85Å; Y82-V126 HydrophobicContact CE2-CG1 3.57Å; Y82-V126 HydrophobicContact CE2-CG2 4.19Å; Y82-F142 HydrophobicContact CE1-CE2 4.2Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.45Å |
| 83 | S | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.8 | 171 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | T85 A86 T89 K117 | S83-T85 PolarHBondContact O-N 2.83Å; S83-T85 PolarHBondContact OG-OG1 3.39Å; S83-A86 PolarHBondContact O-N 3.48Å; S83-T89 PolarHBondContact N-OG1 3.47Å; S83-K117 WeakPolarHBondContact OG-CD 3.32Å; S83-K117 WeakPolarHBondContact OG-CE 3.44Å |
| 84 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.6 | 176.7 | 65.5 | 153.7 | 0 | 0 | 0 | 112.9 | Y82 N116 K117 C118 R124 V125 V126 | Y82-I84 HydrophobicContact CE2-CG2 4.04Å; I84-N116 PolarHBondContact N-O 2.66Å; I84-K117 WeakPolarHBondContact CD1-O 3.42Å; I84-K117 WeakPolarHBondContact CG1-O 3.1Å; I84-C118 HydrophobicContact CD1-CB 4.42Å; I84-R124 HydrophobicContact CD1-CB 4.11Å; I84-R124 HydrophobicContact CD1-CG 4.2Å; I84-R124 VanDerWaalsContact CD1-CZ 3.44Å; I84-V125 PolarHBondContact O-N 3.05Å; I84-V126 PolarHBondContact O-N 2.79Å |
| 85 | T | 98.8 | Very high | 97.8 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.6 | 179 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | S83 L120 E123 V125 | S83-T85 PolarHBondContact O-N 2.83Å; S83-T85 PolarHBondContact OG-OG1 3.39Å; T85-L120 HydrophobicContact CG2-CB 3.79Å; T85-L120 HydrophobicContact CG2-CD1 4.04Å; T85-E123 WeakPolarHBondContact CA-O 3.37Å; T85-E123 HydrophobicContact CG2-CB 3.65Å; T85-V125 VanDerWaalsContact C-CG2 3.46Å |
| 86 | A | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 24% | 0.24 | 17% | 0.169 | C | C | . | . | trans | -142.6 | 100.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S83 S88 T89 | S83-A86 PolarHBondContact O-N 3.48Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 2.91Å; A86-T89 HydrophobicContact CB-CG2 3.83Å; A86-T89 PolarHBondContact O-N 2.6Å; A86-T89 VanDerWaalsContact O-N 3.11Å; A86-T89 PolarHBondContact O-OG1 2.82Å | ||
| 87 | Q | 98.5 | Very high | 97.6 | Very high | 63 Ų | 63 | 30.5 Ų | 30.5 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.6 | -37.4 | -178.1 | -174.3 | 67.4 | 50.7 | 0 | 0 | 113.7 | T89 F90 N91 V125 | Q87-T89 VanDerWaalsContact C-N 3.28Å; Q87-T89 PolarHBondContact O-N 3.41Å; Q87-F90 WeakPolarHBondContact O-CB 3.48Å; Q87-F90 PolarHBondContact O-N 3.36Å; Q87-F90 VanDerWaalsContact O-N 3.13Å; Q87-N91 PolarHBondContact NE2-OD1 3.23Å; Q87-N91 PolarHBondContact O-N 2.89Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 2.9Å; Q87-V125 HydrophobicContact CB-CG2 4.22Å |
| 88 | S | 97.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 34 Ų | 34 | 51% | 0.51 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 178.2 | 51 | 0 | 0 | 0 | 0 | 111.8 | A86 F90 N91 D92 | A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 2.91Å; S88-F90 PolarHBondContact O-N 2.82Å; S88-N91 WeakPolarHBondContact O-CB 3.35Å; S88-N91 PolarHBondContact O-N 2.82Å; S88-D92 PolarHBondContact O-N 2.88Å |
| 89 | T | 97.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -22.8 | -179.2 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | V14 Y82 S83 A86 Q87 | V14-T89 HydrophobicContact CG1-CG2 3.71Å; Y82-T89 WeakPolarHBondContact CB-O 3.33Å; S83-T89 PolarHBondContact N-OG1 3.47Å; A86-T89 HydrophobicContact CB-CG2 3.83Å; A86-T89 PolarHBondContact O-N 2.6Å; A86-T89 VanDerWaalsContact O-N 3.11Å; A86-T89 PolarHBondContact O-OG1 2.82Å; Q87-T89 VanDerWaalsContact C-N 3.28Å; Q87-T89 PolarHBondContact O-N 3.41Å |
| 90 | F | 98.7 | Very high | 97 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.6 | -42.1 | 172.6 | 172.8 | -97.2 | 0 | 0 | 0 | 111.2 | Y82 Q87 S88 D92 L93 V126 Q130 L134 | Y82-F90 AromaticContact CD1-CD2 3.91Å; Y82-F90 HydrophobicContact CD1-CD2 3.91Å; Y82-F90 HydrophobicContact CD2-CB 3.87Å; Y82-F90 AromaticContact CD2-CD2 3.95Å; Y82-F90 HydrophobicContact CD2-CD2 3.95Å; Y82-F90 HydrophobicContact CD2-CG 4.39Å; Y82-F90 AromaticContact CE1-CD2 3.84Å; Y82-F90 HydrophobicContact CE1-CD2 3.84Å; Y82-F90 HydrophobicContact CE1-CE2 4.28Å; Y82-F90 HydrophobicContact CE2-CB 4.47Å; Y82-F90 AromaticContact CE2-CD2 3.91Å; Y82-F90 HydrophobicContact CE2-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CB 4.05Å; Y82-F90 AromaticContact CG-CD2 3.95Å; Y82-F90 HydrophobicContact CG-CD2 3.95Å; Y82-F90 AromaticContact CZ-CD2 3.84Å; Q87-F90 WeakPolarHBondContact O-CB 3.48Å; Q87-F90 PolarHBondContact O-N 3.36Å; Q87-F90 VanDerWaalsContact O-N 3.13Å; S88-F90 PolarHBondContact O-N 2.82Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 2.9Å; F90-L93 WeakPolarHBondContact O-CB 3.17Å; F90-L93 PolarHBondContact O-N 3.45Å; F90-V126 HydrophobicContact CB-CG1 4.44Å; F90-V126 HydrophobicContact CB-CG2 4.08Å; F90-V126 HydrophobicContact CD2-CG1 3.94Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; F90-Q130 HydrophobicContact CZ-CB 4.12Å; F90-L134 HydrophobicContact CD2-CD2 4.09Å; F90-L134 HydrophobicContact CE1-CD2 4.16Å; F90-L134 HydrophobicContact CE2-CB 3.96Å; F90-L134 HydrophobicContact CE2-CD2 3.45Å; F90-L134 VanDerWaalsContact CE2-CD2 3.45Å; F90-L134 HydrophobicContact CE2-CG 4.34Å; F90-L134 HydrophobicContact CZ-CB 3.67Å; F90-L134 HydrophobicContact CZ-CD2 3.52Å; F90-L134 HydrophobicContact CZ-CG 4.15Å |
| 91 | N | 97.7 | Very high | 96.9 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 179.4 | -60.5 | -15.5 | 0 | 0 | 0 | 111.7 | Q87 S88 L93 I94 | Q87-N91 PolarHBondContact NE2-OD1 3.23Å; Q87-N91 PolarHBondContact O-N 2.89Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 2.9Å; S88-N91 WeakPolarHBondContact O-CB 3.35Å; S88-N91 PolarHBondContact O-N 2.82Å; N91-L93 PolarHBondContact O-N 2.98Å; N91-I94 PolarHBondContact O-N 3.2Å |
| 92 | D | 95.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.5 | 178.6 | -62.7 | -13.7 | 0 | 0 | 0 | 113.5 | S11 S88 F90 I94 L96 | S11-D92 WeakPolarHBondContact OG-CB 3.49Å; S11-D92 PolarHBondContact OG-OD2 2.86Å; S88-D92 PolarHBondContact O-N 2.88Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 2.9Å; D92-I94 VanDerWaalsContact C-N 3.27Å; D92-I94 PolarHBondContact O-N 2.96Å; D92-L96 PolarHBondContact O-N 2.92Å |
| 93 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.6 | -22.2 | -176.8 | -61.3 | -171.8 | 0 | 0 | 0 | 113.6 | L80 Y82 F90 N91 L96 R97 L113 | L80-L93 HydrophobicContact CB-CD1 4.38Å; L80-L93 HydrophobicContact CB-CD2 4.22Å; Y82-L93 HydrophobicContact CD1-CD1 3.67Å; Y82-L93 HydrophobicContact CG-CD1 4.17Å; F90-L93 WeakPolarHBondContact O-CB 3.17Å; F90-L93 PolarHBondContact O-N 3.45Å; N91-L93 PolarHBondContact O-N 2.98Å; L93-L96 HydrophobicContact CD2-CD1 3.98Å; L93-R97 VanDerWaalsContact O-CB 3.32Å; L93-R97 WeakPolarHBondContact O-CB 3.27Å; L93-R97 PolarHBondContact O-N 3.37Å; L93-L113 HydrophobicContact CD1-CD1 3.27Å |
| 94 | I | 96.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.2 | -52.7 | 177.5 | -60.9 | 169.4 | 0 | 0 | 0 | 109.5 | N91 D92 L96 R97 D98 L134 F138 | N91-I94 PolarHBondContact O-N 3.2Å; D92-I94 VanDerWaalsContact C-N 3.27Å; D92-I94 PolarHBondContact O-N 2.96Å; I94-L96 VanDerWaalsContact C-N 3.31Å; I94-L96 PolarHBondContact O-N 3.34Å; I94-R97 PolarHBondContact O-N 3Å; I94-D98 PolarHBondContact O-N 3.05Å; I94-L134 HydrophobicContact CG1-CD1 4.24Å; I94-F138 HydrophobicContact CB-CZ 4.49Å; I94-F138 HydrophobicContact CG1-CE1 4.42Å; I94-F138 HydrophobicContact CG1-CZ 4.07Å |
| 95 | D | 93.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 56.4 Ų | 56.4 | 65% | 0.647 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 179.2 | -66 | -26.3 | 0 | 0 | 0 | 111.8 | D98 Q99 | D95-D98 PolarHBondContact O-N 3.37Å; D95-Q99 WeakPolarHBondContact O-CB 3.25Å; D95-Q99 PolarHBondContact O-N 3.43Å |
| 96 | L | 93.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175 | -77 | 172.1 | 0 | 0 | 0 | 112.2 | M72 L80 D92 L93 I94 Q99 I100 | M72-L96 HydrophobicContact CE-CD2 4.47Å; L80-L96 HydrophobicContact CD2-CB 4.42Å; D92-L96 PolarHBondContact O-N 2.92Å; L93-L96 HydrophobicContact CD2-CD1 3.98Å; I94-L96 VanDerWaalsContact C-N 3.31Å; I94-L96 PolarHBondContact O-N 3.34Å; L96-Q99 PolarHBondContact O-N 2.91Å; L96-I100 WeakPolarHBondContact O-CD1 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.37Å; L96-I100 PolarHBondContact O-N 3.38Å |
| 97 | R | 95.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177 | 176.9 | -88.7 | -177.4 | -175.5 | 0.6 | 110.6 | L80 L93 I94 Q99 I100 L101 M111 F138 | L80-R97 HydrophobicContact CD1-CB 3.99Å; L93-R97 VanDerWaalsContact O-CB 3.32Å; L93-R97 WeakPolarHBondContact O-CB 3.27Å; L93-R97 PolarHBondContact O-N 3.37Å; I94-R97 PolarHBondContact O-N 3Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-Q99 PolarHBondContact O-N 3.27Å; R97-I100 PolarHBondContact O-N 3.01Å; R97-L101 PolarHBondContact O-N 3.29Å; R97-L101 VanDerWaalsContact O-N 3.08Å; R97-M111 HydrophobicContact CG-CE 4.15Å; R97-M111 HydrophobicContact CG-SD 4.12Å; R97-F138 HydrophobicContact CB-CD2 4.23Å; R97-F138 HydrophobicContact CB-CE1 4.35Å; R97-F138 HydrophobicContact CB-CE2 3.8Å; R97-F138 HydrophobicContact CB-CZ 3.88Å; R97-F138 HydrophobicContact CG-CD1 4.14Å; R97-F138 HydrophobicContact CG-CD2 3.96Å; R97-F138 HydrophobicContact CG-CE1 4.2Å; R97-F138 HydrophobicContact CG-CE2 4.02Å; R97-F138 HydrophobicContact CG-CG 4.03Å; R97-F138 HydrophobicContact CG-CZ 4.15Å |
| 98 | D | 95.2 | Very high | 95.6 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | -178.3 | -73 | -9.9 | 0 | 0 | 0 | 111.8 | I94 D95 L101 R102 | I94-D98 PolarHBondContact O-N 3.05Å; D95-D98 PolarHBondContact O-N 3.37Å; D98-L101 PolarHBondContact O-N 3.37Å; D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 PolarHBondContact O-N 2.96Å |
| 99 | Q | 93.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 62 Ų | 62 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 172.2 | -171.4 | 178.4 | 1 | 0 | 0 | 111.8 | D69 M72 D95 L96 R97 L101 R102 V103 | D69-Q99 PolarHBondContact OD1-NE2 2.95Å; D69-Q99 VanDerWaalsContact OD1-NE2 3.08Å; M72-Q99 HydrophobicContact CE-CB 4.31Å; M72-Q99 HydrophobicContact CE-CG 4.05Å; M72-Q99 HydrophobicContact SD-CB 4.25Å; M72-Q99 HydrophobicContact SD-CG 3.67Å; D95-Q99 WeakPolarHBondContact O-CB 3.25Å; D95-Q99 PolarHBondContact O-N 3.43Å; L96-Q99 PolarHBondContact O-N 2.91Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-Q99 PolarHBondContact O-N 3.27Å; Q99-L101 PolarHBondContact O-N 3Å; Q99-R102 PolarHBondContact O-N 3.43Å; Q99-V103 HydrophobicContact CG-CG2 4.37Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.38Å; Q99-V103 PolarHBondContact O-N 3.1Å |
| 100 | I | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 178.5 | -69.3 | 161.5 | 0 | 0 | 0 | 110.5 | L9 M72 F78 L80 L96 R97 R102 V103 K104 V109 M111 | L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.22Å; M72-I100 HydrophobicContact CE-CG1 3.89Å; M72-I100 HydrophobicContact CG-CG1 4.05Å; M72-I100 HydrophobicContact SD-CG1 3.87Å; F78-I100 HydrophobicContact CB-CD1 4.09Å; F78-I100 HydrophobicContact CD1-CD1 3.92Å; F78-I100 HydrophobicContact CD1-CG1 4.22Å; F78-I100 HydrophobicContact CD1-CG2 4.3Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE1-CG1 4.44Å; F78-I100 HydrophobicContact CE1-CG2 4.23Å; F78-I100 HydrophobicContact CE2-CG2 3.66Å; F78-I100 HydrophobicContact CG-CD1 3.94Å; F78-I100 HydrophobicContact CG-CG2 4.08Å; F78-I100 HydrophobicContact CZ-CG2 3.92Å; L80-I100 HydrophobicContact CD2-CD1 3.82Å; L96-I100 WeakPolarHBondContact O-CD1 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.37Å; L96-I100 PolarHBondContact O-N 3.38Å; R97-I100 PolarHBondContact O-N 3.01Å; I100-R102 PolarHBondContact O-N 2.72Å; I100-V103 PolarHBondContact O-N 3.49Å; I100-K104 HydrophobicContact CG2-CG 4.26Å; I100-K104 VanDerWaalsContact O-CB 3.24Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 VanDerWaalsContact O-CG 3.24Å; I100-K104 WeakPolarHBondContact O-CG 3.25Å; I100-K104 PolarHBondContact O-N 3.12Å; I100-V109 HydrophobicContact CG2-CG2 3.92Å; I100-M111 HydrophobicContact CD1-CE 3.76Å; I100-M111 HydrophobicContact CG2-CE 4.31Å |
| 101 | L | 97.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | -178.6 | -65.9 | -161 | 0 | 0 | 0 | 112.3 | R97 D98 Q99 V103 K104 D105 T106 D107 V109 | R97-L101 PolarHBondContact O-N 3.29Å; R97-L101 VanDerWaalsContact O-N 3.08Å; D98-L101 PolarHBondContact O-N 3.37Å; Q99-L101 PolarHBondContact O-N 3Å; L101-V103 PolarHBondContact O-N 3.23Å; L101-K104 CarbonylContact O-C 3.58Å; L101-K104 PolarHBondContact O-N 2.97Å; L101-D105 PolarHBondContact O-N 3.39Å; L101-T106 WeakPolarHBondContact CB-O 3.47Å; L101-T106 WeakPolarHBondContact CD2-O 3.37Å; L101-T106 PolarHBondContact O-N 2.98Å; L101-D107 WeakPolarHBondContact CD1-O 3.4Å; L101-V109 HydrophobicContact CD2-CB 4.48Å; L101-V109 HydrophobicContact CD2-CG1 3.95Å; L101-V109 HydrophobicContact CD2-CG2 3.85Å |
| 102 | R | 95.8 | Very high | 95.6 | Very high | 177 Ų | 177 | 57.3 Ų | 57.3 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.1 | -46.3 | 175.3 | -175.4 | -178 | 69.4 | -149.6 | 2.5 | 112 | D98 Q99 I100 K104 D105 | D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 PolarHBondContact O-N 2.96Å; Q99-R102 PolarHBondContact O-N 3.43Å; I100-R102 PolarHBondContact O-N 2.72Å; R102-K104 VanDerWaalsContact C-N 3.29Å; R102-K104 PolarHBondContact O-N 2.85Å; R102-D105 PolarHBondContact O-N 3.01Å |
| 103 | V | 94.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -32.5 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | D69 M72 K73 Q99 I100 L101 | D69-V103 HydrophobicContact CB-CG1 4.4Å; D69-V103 HydrophobicContact CB-CG2 4.13Å; D69-V103 WeakPolarHBondContact O-CG1 3.3Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.35Å; M72-V103 HydrophobicContact CB-CB 4.07Å; M72-V103 HydrophobicContact CB-CG1 3.75Å; M72-V103 HydrophobicContact CB-CG2 4.44Å; M72-V103 HydrophobicContact SD-CG2 4.31Å; K73-V103 HydrophobicContact CB-CG1 3.94Å; Q99-V103 HydrophobicContact CG-CG2 4.37Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.38Å; Q99-V103 PolarHBondContact O-N 3.1Å; I100-V103 PolarHBondContact O-N 3.49Å; L101-V103 PolarHBondContact O-N 3.23Å |
| 104 | K | 95.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 54 Ų | 54 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82.4 | -14.4 | 179.1 | -74.6 | -64.7 | -154.9 | -167.7 | 0 | 114.6 | M72 K73 G75 I100 L101 R102 T106 V109 | M72-K104 WeakPolarHBondContact O-CE 3.5Å; M72-K104 PolarHBondContact O-NZ 3.28Å; M72-K104 VanDerWaalsContact O-NZ 3.09Å; K73-K104 PolarHBondContact O-NZ 2.95Å; G75-K104 WeakPolarHBondContact O-CE 3.37Å; G75-K104 PolarHBondContact O-NZ 3.09Å; I100-K104 HydrophobicContact CG2-CG 4.26Å; I100-K104 VanDerWaalsContact O-CB 3.24Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 VanDerWaalsContact O-CG 3.24Å; I100-K104 WeakPolarHBondContact O-CG 3.25Å; I100-K104 PolarHBondContact O-N 3.12Å; L101-K104 CarbonylContact O-C 3.58Å; L101-K104 PolarHBondContact O-N 2.97Å; R102-K104 VanDerWaalsContact C-N 3.29Å; R102-K104 PolarHBondContact O-N 2.85Å; K104-T106 VanDerWaalsContact C-N 3.29Å; K104-T106 HydrophobicContact CB-CG2 3.68Å; K104-T106 PolarHBondContact O-N 3.28Å; K104-V109 HydrophobicContact CB-CG1 4.01Å; K104-V109 HydrophobicContact CG-CG1 3.94Å |
| 105 | D | 95.9 | Very high | 96 | Very high | 153 Ų | 153 | 50.5 Ų | 50.5 | 82% | 0.818 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 49.2 | -176.6 | -164.8 | 31.9 | 0 | 0 | 0 | 111.5 | L101 R102 | L101-D105 PolarHBondContact O-N 3.39Å; R102-D105 PolarHBondContact O-N 3.01Å |
| 106 | T | 94.8 | Very high | 96.3 | Very high | 42 Ų | 42 | 45 Ų | 45 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -157.1 | 149.4 | -178.3 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | L101 K104 E108 V109 R167 | L101-T106 WeakPolarHBondContact CB-O 3.47Å; L101-T106 WeakPolarHBondContact CD2-O 3.37Å; L101-T106 PolarHBondContact O-N 2.98Å; K104-T106 VanDerWaalsContact C-N 3.29Å; K104-T106 HydrophobicContact CB-CG2 3.68Å; K104-T106 PolarHBondContact O-N 3.28Å; T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 VanDerWaalsContact CG2-O 3.25Å; T106-E108 WeakPolarHBondContact CG2-O 3.5Å; T106-E108 PolarHBondContact OG1-O 3.06Å; T106-V109 HydrophobicContact CG2-CG1 3.48Å; T106-V109 VanDerWaalsContact CG2-CG1 3.48Å; T106-R167 PolarHBondContact OG1-NH2 2.92Å |
| 107 | D | 92.5 | Very high | 96.5 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 75% | 0.749 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -79.4 | -15.6 | 178.3 | -60.4 | -48.5 | 0 | 0 | 0 | 113.6 | L101 | L101-D107 WeakPolarHBondContact CD1-O 3.4Š|
| 108 | E | 92.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | trans | -137.3 | 132.5 | -174.7 | -65.5 | -172.5 | 165.2 | 0 | 0 | 111.6 | T106 N139 R167 | T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 VanDerWaalsContact CG2-O 3.25Å; T106-E108 WeakPolarHBondContact CG2-O 3.5Å; T106-E108 PolarHBondContact OG1-O 3.06Å; E108-N139 PolarHBondContact OE1-ND2 2.82Å; E108-N139 VanDerWaalsContact OE1-ND2 3.14Å; E108-R167 PolarHBondContact O-NH1 3.07Å; E108-R167 PolarHBondContact O-NH2 2.9Å | ||
| 109 | V | 97.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | trans | -137.4 | 151.3 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | F78 I100 L101 K104 T106 M111 | F78-V109 HydrophobicContact CD2-CB 4.22Å; F78-V109 HydrophobicContact CD2-CG2 3.83Å; F78-V109 HydrophobicContact CE2-CB 4.26Å; F78-V109 HydrophobicContact CE2-CG2 4.23Å; I100-V109 HydrophobicContact CG2-CG2 3.92Å; L101-V109 HydrophobicContact CD2-CB 4.48Å; L101-V109 HydrophobicContact CD2-CG1 3.95Å; L101-V109 HydrophobicContact CD2-CG2 3.85Å; K104-V109 HydrophobicContact CB-CG1 4.01Å; K104-V109 HydrophobicContact CG-CG1 3.94Å; T106-V109 HydrophobicContact CG2-CG1 3.48Å; T106-V109 VanDerWaalsContact CG2-CG1 3.48Å; V109-M111 HydrophobicContact CG2-CB 4.32Å; V109-M111 HydrophobicContact CG2-CE 3.83Å; V109-M111 PolarHBondContact O-N 3.36Å | ||
| 110 | P | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | trans | -55.9 | 117.2 | 169.6 | -25.6 | 37.2 | 0 | 0 | 0 | 109.7 | Q76 G77 F78 L160 Q163 I164 R167 | Q76-P110 WeakPolarHBondContact O-CD 3.25Å; Q76-P110 WeakPolarHBondContact O-CG 3.37Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.94Å; P110-L160 HydrophobicContact CB-CD1 4.01Å; P110-Q163 HydrophobicContact CB-CB 3.83Å; P110-I164 HydrophobicContact CB-CG1 3.75Å; P110-I164 HydrophobicContact CG-CG1 3.9Å; P110-R167 HydrophobicContact CG-CB 4.35Å | ||
| 111 | M | 98.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.8 | -171.5 | -176.2 | 176.9 | -74.2 | 0 | 0 | 110.4 | F78 L80 R97 I100 V109 F138 C140 Q163 | F78-M111 HydrophobicContact CB-CE 4.29Å; F78-M111 HydrophobicContact CB-CG 4.5Å; F78-M111 VanDerWaalsContact O-CA 3.3Å; F78-M111 WeakPolarHBondContact O-CA 3.43Å; L80-M111 HydrophobicContact CD1-CE 3.89Å; L80-M111 HydrophobicContact CD1-CG 4.4Å; L80-M111 HydrophobicContact CD1-SD 3.57Å; L80-M111 VanDerWaalsContact CD1-SD 3.57Å; L80-M111 HydrophobicContact CG-CE 4.3Å; L80-M111 HydrophobicContact CG-CG 4.33Å; L80-M111 HydrophobicContact CG-SD 4.11Å; R97-M111 HydrophobicContact CG-CE 4.15Å; R97-M111 HydrophobicContact CG-SD 4.12Å; I100-M111 HydrophobicContact CD1-CE 3.76Å; I100-M111 HydrophobicContact CG2-CE 4.31Å; V109-M111 HydrophobicContact CG2-CB 4.32Å; V109-M111 HydrophobicContact CG2-CE 3.83Å; V109-M111 PolarHBondContact O-N 3.36Å; M111-F138 HydrophobicContact SD-CD2 4.47Å; M111-C140 HydrophobicContact CB-CB 4.03Å; M111-C140 HydrophobicContact CG-CB 4.19Å; M111-Q163 PolarHBondContact O-NE2 2.91Å; M111-Q163 PolarHBondContact O-OE1 2.94Å; M111-Q163 VanDerWaalsContact O-OE1 3.12Å |
| 112 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.1 | 170 | -174 | 164.7 | 0 | 0 | 0 | 110.2 | F78 V79 L80 V114 A141 L143 V156 D159 L160 | F78-I112 PolarHBondContact O-N 2.89Å; V79-I112 HydrophobicContact CB-CG2 4.34Å; V79-I112 HydrophobicContact CG1-CG2 4.21Å; V79-I112 HydrophobicContact CG2-CG2 4.03Å; L80-I112 PolarHBondContact N-O 3.43Å; I112-V114 HydrophobicContact CG1-CG2 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.31Å; I112-A141 HydrophobicContact CB-CB 4.3Å; I112-A141 HydrophobicContact CD1-CB 4.08Å; I112-A141 HydrophobicContact CG1-CB 3.91Å; I112-L143 HydrophobicContact CD1-CB 4.38Å; I112-L143 HydrophobicContact CD1-CD1 3.81Å; I112-L143 HydrophobicContact CD1-CG 4Å; I112-V156 HydrophobicContact CD1-CG2 4.27Å; I112-V156 HydrophobicContact CG2-CG1 3.92Å; I112-D159 HydrophobicContact CD1-CB 4.39Å; I112-L160 HydrophobicContact CG2-CD1 4.47Å |
| 113 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.2 | 172.7 | -169.9 | 68.3 | 0 | 0 | 0 | 109.4 | L80 Y82 L93 G131 L134 A135 A141 F142 L143 | L80-L113 HydrophobicContact CB-CD1 4.16Å; Y82-L113 HydrophobicContact CD1-CD1 4.43Å; Y82-L113 HydrophobicContact CE1-CD2 4.48Å; Y82-L113 HydrophobicContact CE1-CG 4.21Å; L93-L113 HydrophobicContact CD1-CD1 3.27Å; L113-G131 VanDerWaalsContact CD2-O 3.31Å; L113-G131 WeakPolarHBondContact CD2-O 3.43Å; L113-L134 HydrophobicContact CD1-CD2 4.41Å; L113-L134 HydrophobicContact CD2-CB 4.01Å; L113-L134 HydrophobicContact CD2-CD2 4.06Å; L113-L134 HydrophobicContact CD2-CG 4.19Å; L113-A135 HydrophobicContact CB-CB 4.22Å; L113-A135 HydrophobicContact CD2-CB 3.97Å; L113-A141 PolarHBondContact N-O 3.29Å; L113-F142 HydrophobicContact CB-CD2 4.15Å; L113-F142 HydrophobicContact CD2-CD2 4.06Å; L113-F142 HydrophobicContact CG-CD2 4.14Å; L113-F142 WeakPolarHBondContact O-CA 3.5Å; L113-L143 PolarHBondContact O-N 2.81Å |
| 114 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 111.2 | -174 | 178 | 0 | 0 | 0 | 0 | 111.2 | L19 V79 L80 V81 Y82 I112 N116 L143 T145 V156 | L19-V114 HydrophobicContact CD2-CG1 4.23Å; V79-V114 HydrophobicContact CG1-CB 4.31Å; V79-V114 HydrophobicContact CG1-CG2 3.6Å; L80-V114 PolarHBondContact O-N 3.14Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CG1 4.33Å; V81-V114 HydrophobicContact CG2-CB 4.28Å; Y82-V114 VanDerWaalsContact CD1-O 3.25Å; Y82-V114 WeakPolarHBondContact CD1-O 3.21Å; Y82-V114 PolarHBondContact N-O 2.85Å; I112-V114 HydrophobicContact CG1-CG2 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.31Å; V114-N116 HydrophobicContact CG1-CB 4.4Å; V114-N116 PolarHBondContact O-N 3.31Å; V114-L143 VanDerWaalsContact CA-O 3.29Å; V114-L143 WeakPolarHBondContact CA-O 3.31Å; V114-T145 HydrophobicContact CG1-CG2 3.61Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.08Å; V114-V156 HydrophobicContact CG2-CG1 3.93Å; V114-V156 HydrophobicContact CG2-CG2 3.71Å |
| 115 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 94.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L143 E144 T145 | G115-L143 PolarHBondContact N-O 2.86Å; G115-E144 CarbonylContact O-C 3.55Å; G115-E144 WeakPolarHBondContact O-CA 3.45Å; G115-E144 WeakPolarHBondContact O-CB 2.85Å; G115-T145 PolarHBondContact O-N 2.82Å |
| 116 | N | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 164.3 | -175.9 | -168.4 | 38.6 | 0 | 0 | 0 | 112.8 | V14 V81 Y82 I84 V114 T145 A147 | V14-N116 PolarHBondContact O-ND2 2.93Å; V81-N116 HydrophobicContact CG1-CB 3.76Å; Y82-N116 PolarHBondContact O-N 2.96Å; I84-N116 PolarHBondContact N-O 2.66Å; V114-N116 HydrophobicContact CG1-CB 4.4Å; V114-N116 PolarHBondContact O-N 3.31Å; N116-T145 CarbonylContact C-O 3.53Å; N116-T145 VanDerWaalsContact CA-O 3.32Å; N116-T145 WeakPolarHBondContact CA-O 3.45Å; N116-T145 WeakPolarHBondContact CA-OG1 3.44Å; N116-T145 PolarHBondContact OD1-O 2.66Å; N116-T145 PolarHBondContact OD1-OG1 3.25Å; N116-A147 PolarHBondContact OD1-N 3.03Å |
| 117 | K | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | trans | 69.5 | 35.4 | -176.9 | -46.4 | -171.8 | -165.5 | 169.7 | 0 | 113.7 | G13 S83 I84 D119 L120 T145 | G13-K117 VanDerWaalsContact O-CE 3.29Å; G13-K117 WeakPolarHBondContact O-CE 3.27Å; G13-K117 PolarHBondContact O-NZ 2.89Å; S83-K117 WeakPolarHBondContact OG-CD 3.32Å; S83-K117 WeakPolarHBondContact OG-CE 3.44Å; I84-K117 WeakPolarHBondContact CD1-O 3.42Å; I84-K117 WeakPolarHBondContact CG1-O 3.1Å; K117-D119 WeakPolarHBondContact CA-OD1 3.02Å; K117-D119 PolarHBondContact O-N 2.84Å; K117-L120 HydrophobicContact CB-CD1 4.09Å; K117-L120 HydrophobicContact CB-CG 4.36Å; K117-L120 HydrophobicContact CD-CD1 4.07Å; K117-L120 PolarHBondContact O-N 2.84Å; K117-T145 PolarHBondContact N-O 3.35Å | ||
| 118 | C | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -5.2 | 176.7 | 76.2 | 0 | 0 | 0 | 0 | 114.5 | I84 L120 E144 T145 | I84-C118 HydrophobicContact CD1-CB 4.42Å; C118-L120 VanDerWaalsContact C-N 3.26Å; C118-E144 HydrophobicContact CB-CB 4.13Å; C118-T145 PolarHBondContact N-O 3.11Å; C118-T145 PolarHBondContact SG-O 3.19Å; C118-T145 VanDerWaalsContact SG-O 3.4Å |
| 119 | D | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.6 | 166.9 | 55.7 | -68 | 0 | 0 | 0 | 113.3 | K117 E121 S146 K148 A149 | K117-D119 WeakPolarHBondContact CA-OD1 3.02Å; K117-D119 PolarHBondContact O-N 2.84Å; D119-E121 PolarHBondContact O-N 2.6Å; D119-S146 WeakPolarHBondContact CB-OG 3.3Å; D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.33Å; D119-S146 PolarHBondContact OD1-OG 3.13Å; D119-K148 WeakPolarHBondContact OD2-CD 3.47Å; D119-A149 HydrophobicContact CB-CB 4.26Å |
| 120 | L | 98.2 | Very high | 98.6 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -97.7 | 51.6 | 178.6 | -55.8 | 179.7 | 0 | 0 | 0 | 111.2 | T85 K117 C118 D122 E123 R124 | T85-L120 HydrophobicContact CG2-CB 3.79Å; T85-L120 HydrophobicContact CG2-CD1 4.04Å; K117-L120 HydrophobicContact CB-CD1 4.09Å; K117-L120 HydrophobicContact CB-CG 4.36Å; K117-L120 HydrophobicContact CD-CD1 4.07Å; K117-L120 PolarHBondContact O-N 2.84Å; C118-L120 VanDerWaalsContact C-N 3.26Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 2.95Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 2.82Å; L120-R124 PolarHBondContact O-N 3.43Å | ||
| 121 | E | 98.3 | Very high | 98.6 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60.5 | -36.9 | -174.2 | -167.5 | 65.6 | -157.8 | 0 | 0 | 112.6 | D119 E123 R124 | D119-E121 PolarHBondContact O-N 2.6Å; E121-E123 PolarHBondContact O-N 2.93Å; E121-R124 WeakPolarHBondContact O-CB 3.22Å; E121-R124 PolarHBondContact O-N 3.18Å; E121-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 IonicContact OE1-CZ 2.85Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 3.04Å; E121-R124 IonicContact OE1-NH2 2.68Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 IonicContact OE2-NE 3.62Å; E121-R124 PolarHBondContact OE2-NE 3.47Å; E121-R124 VanDerWaalsContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.37Å; E121-R124 PolarHBondContact OE2-NH2 3.04Å |
| 122 | D | 98.4 | Very high | 98.6 | Very high | 174 Ų | 174 | 52.9 Ų | 52.9 | 93% | 0.93 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -66.8 | -18.4 | 177.6 | -62.9 | -33.7 | 0 | 0 | 0 | 113.2 | L120 | L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 2.95Å |
| 123 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -101.4 | 5.1 | 177.1 | -62.1 | 178.7 | -137.3 | 0 | 0 | 112.5 | T85 L120 E121 V125 | T85-E123 WeakPolarHBondContact CA-O 3.37Å; T85-E123 HydrophobicContact CG2-CB 3.65Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 2.82Å; E121-E123 PolarHBondContact O-N 2.93Å; E123-V125 PolarHBondContact O-N 3.16Å |
| 124 | R | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 18% | 0.177 | 29% | 0.29 | C | S | . | . | trans | -63.3 | 127.7 | -176.5 | -179.9 | -177 | -69.8 | -82.5 | 4 | 111.1 | I84 L120 E121 V126 E144 | I84-R124 HydrophobicContact CD1-CB 4.11Å; I84-R124 HydrophobicContact CD1-CG 4.2Å; I84-R124 VanDerWaalsContact CD1-CZ 3.44Å; L120-R124 PolarHBondContact O-N 3.43Å; E121-R124 WeakPolarHBondContact O-CB 3.22Å; E121-R124 PolarHBondContact O-N 3.18Å; E121-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 IonicContact OE1-CZ 2.85Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 3.04Å; E121-R124 IonicContact OE1-NH2 2.68Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 IonicContact OE2-NE 3.62Å; E121-R124 PolarHBondContact OE2-NE 3.47Å; E121-R124 VanDerWaalsContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.37Å; E121-R124 PolarHBondContact OE2-NH2 3.04Å; R124-V126 WeakPolarHBondContact CD-O 3.4Å; R124-V126 VanDerWaalsContact CG-O 3.24Å; R124-V126 WeakPolarHBondContact CG-O 3.49Å; R124-V126 PolarHBondContact NH1-O 3.02Å; R124-E144 IonicContact CZ-OE1 3.64Å; R124-E144 IonicContact CZ-OE2 3.43Å; R124-E144 IonicContact NH1-OE1 3.1Å; R124-E144 PolarHBondContact NH1-OE1 2.94Å; R124-E144 IonicContact NH1-OE2 3.65Å; R124-E144 IonicContact NH2-OE1 3.97Å; R124-E144 PolarHBondContact NH2-OE1 3.28Å; R124-E144 IonicContact NH2-OE2 3.34Å; R124-E144 PolarHBondContact NH2-OE2 3.28Å | ||
| 125 | V | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | trans | -117.7 | -22.3 | 169.9 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | I84 T85 Q87 E123 | I84-V125 PolarHBondContact O-N 3.05Å; T85-V125 VanDerWaalsContact C-CG2 3.46Å; Q87-V125 HydrophobicContact CB-CG2 4.22Å; E123-V125 PolarHBondContact O-N 3.16Å | ||
| 126 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -100.5 | 114.1 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | Y82 I84 F90 R124 Q130 | Y82-V126 HydrophobicContact CD2-CB 4.48Å; Y82-V126 HydrophobicContact CD2-CG1 4.37Å; Y82-V126 HydrophobicContact CD2-CG2 4.34Å; Y82-V126 HydrophobicContact CE2-CB 3.85Å; Y82-V126 HydrophobicContact CE2-CG1 3.57Å; Y82-V126 HydrophobicContact CE2-CG2 4.19Å; I84-V126 PolarHBondContact O-N 2.79Å; F90-V126 HydrophobicContact CB-CG1 4.44Å; F90-V126 HydrophobicContact CB-CG2 4.08Å; F90-V126 HydrophobicContact CD2-CG1 3.94Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; R124-V126 WeakPolarHBondContact CD-O 3.4Å; R124-V126 VanDerWaalsContact CG-O 3.24Å; R124-V126 WeakPolarHBondContact CG-O 3.49Å; R124-V126 PolarHBondContact NH1-O 3.02Å; V126-Q130 HydrophobicContact CG1-CB 4.11Å |
| 127 | G | 98.5 | Very high | 98.5 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | trans | -70.3 | 150.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D129 Q130 G131 | G127-D129 PolarHBondContact O-N 2.86Å; G127-Q130 WeakPolarHBondContact O-CB 3.3Å; G127-Q130 PolarHBondContact O-N 3.47Å; G127-G131 PolarHBondContact O-N 3.34Å | ||
| 128 | K | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.5 | -40.4 | 174.9 | -76 | 174.2 | -178.5 | 172.5 | 0 | 112.6 | Q130 G131 Q132 E144 | K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.96Å; K128-G131 PolarHBondContact O-N 3.26Å; K128-Q132 WeakPolarHBondContact O-CB 3.34Å; K128-Q132 PolarHBondContact O-N 3.35Å; K128-E144 WeakPolarHBondContact CE-OE2 3.19Å; K128-E144 HydrophobicContact CG-CG 4.46Å; K128-E144 WeakPolarHBondContact CG-OE1 3.48Å; K128-E144 IonicContact NZ-OE2 2.82Å |
| 129 | D | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 74.1 Ų | 74.1 | 67% | 0.674 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.1 | -32.8 | 178.6 | -67.4 | -28.9 | 0 | 0 | 0 | 112.5 | G127 N133 | G127-D129 PolarHBondContact O-N 2.86Å; D129-N133 WeakPolarHBondContact O-CB 3.19Å; D129-N133 PolarHBondContact O-N 2.87Å; D129-N133 PolarHBondContact O-ND2 2.88Å; D129-N133 VanDerWaalsContact O-ND2 3.08Å |
| 130 | Q | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | 175.4 | -60.3 | -179.4 | 27.5 | 0 | 0 | 110.5 | F90 V126 G127 K128 Q132 N133 L134 | F90-Q130 HydrophobicContact CZ-CB 4.12Å; V126-Q130 HydrophobicContact CG1-CB 4.11Å; G127-Q130 WeakPolarHBondContact O-CB 3.3Å; G127-Q130 PolarHBondContact O-N 3.47Å; K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.96Å; Q130-Q132 PolarHBondContact O-N 3.29Å; Q130-N133 PolarHBondContact O-N 3.49Å; Q130-L134 PolarHBondContact O-N 2.9Å |
| 131 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L113 G127 K128 N133 L134 A135 | L113-G131 VanDerWaalsContact CD2-O 3.31Å; L113-G131 WeakPolarHBondContact CD2-O 3.43Å; G127-G131 PolarHBondContact O-N 3.34Å; K128-G131 PolarHBondContact O-N 3.26Å; G131-N133 VanDerWaalsContact C-N 3.34Å; G131-N133 PolarHBondContact O-N 3.2Å; G131-L134 PolarHBondContact O-N 3.41Å; G131-A135 WeakPolarHBondContact O-CB 3.22Å; G131-A135 PolarHBondContact O-N 3.08Å |
| 132 | Q | 98.7 | Very high | 98.4 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.3 | -172.8 | 61.4 | 69.3 | 0 | 0 | 112.7 | K128 Q130 R136 F142 | K128-Q132 WeakPolarHBondContact O-CB 3.34Å; K128-Q132 PolarHBondContact O-N 3.35Å; Q130-Q132 PolarHBondContact O-N 3.29Å; Q132-R136 WeakPolarHBondContact O-CG 3.25Å; Q132-R136 PolarHBondContact O-N 3.48Å; Q132-F142 HydrophobicContact CB-CD1 4.18Å; Q132-F142 HydrophobicContact CB-CE1 4.46Å |
| 133 | N | 98.8 | Very high | 98.4 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 177.8 | -73.9 | -24.9 | 0 | 0 | 0 | 111.8 | D129 Q130 G131 R136 Q137 | D129-N133 WeakPolarHBondContact O-CB 3.19Å; D129-N133 PolarHBondContact O-N 2.87Å; D129-N133 PolarHBondContact O-ND2 2.88Å; D129-N133 VanDerWaalsContact O-ND2 3.08Å; Q130-N133 PolarHBondContact O-N 3.49Å; G131-N133 VanDerWaalsContact C-N 3.34Å; G131-N133 PolarHBondContact O-N 3.2Å; N133-R136 WeakPolarHBondContact O-CB 3.39Å; N133-R136 PolarHBondContact O-N 3.5Å; N133-R136 PolarHBondContact OD1-NH1 2.82Å; N133-R136 VanDerWaalsContact OD1-NH1 3.07Å; N133-Q137 WeakPolarHBondContact O-CG 3.17Å; N133-Q137 PolarHBondContact O-N 3.13Å |
| 134 | L | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | -173.6 | 66 | 0 | 0 | 0 | 111.3 | F90 I94 L113 Q130 G131 R136 Q137 F138 | F90-L134 HydrophobicContact CD2-CD2 4.09Å; F90-L134 HydrophobicContact CE1-CD2 4.16Å; F90-L134 HydrophobicContact CE2-CB 3.96Å; F90-L134 HydrophobicContact CE2-CD2 3.45Å; F90-L134 VanDerWaalsContact CE2-CD2 3.45Å; F90-L134 HydrophobicContact CE2-CG 4.34Å; F90-L134 HydrophobicContact CZ-CB 3.67Å; F90-L134 HydrophobicContact CZ-CD2 3.52Å; F90-L134 HydrophobicContact CZ-CG 4.15Å; I94-L134 HydrophobicContact CG1-CD1 4.24Å; L113-L134 HydrophobicContact CD1-CD2 4.41Å; L113-L134 HydrophobicContact CD2-CB 4.01Å; L113-L134 HydrophobicContact CD2-CD2 4.06Å; L113-L134 HydrophobicContact CD2-CG 4.19Å; Q130-L134 PolarHBondContact O-N 2.9Å; G131-L134 PolarHBondContact O-N 3.41Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.26Å; L134-Q137 CarbonylContact O-C 3.53Å; L134-Q137 WeakPolarHBondContact O-CB 3.42Å; L134-Q137 PolarHBondContact O-N 3.33Å; L134-Q137 VanDerWaalsContact O-N 3.09Å; L134-F138 HydrophobicContact CD1-CD1 4.16Å; L134-F138 HydrophobicContact CD1-CE1 3.55Å; L134-F138 HydrophobicContact CD1-CE2 4.21Å; L134-F138 HydrophobicContact CD1-CZ 3.57Å; L134-F138 HydrophobicContact CD2-CE2 3.98Å; L134-F138 HydrophobicContact CD2-CZ 3.97Å; L134-F138 HydrophobicContact CG-CD1 4.46Å; L134-F138 HydrophobicContact CG-CD2 4.27Å; L134-F138 HydrophobicContact CG-CE1 4.09Å; L134-F138 HydrophobicContact CG-CE2 3.88Å; L134-F138 HydrophobicContact CG-CZ 3.77Å; L134-F138 WeakPolarHBondContact O-CG 3.49Å; L134-F138 PolarHBondContact O-N 2.58Å |
| 135 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L113 G131 F138 N139 C140 F142 | L113-A135 HydrophobicContact CB-CB 4.22Å; L113-A135 HydrophobicContact CD2-CB 3.97Å; G131-A135 WeakPolarHBondContact O-CB 3.22Å; G131-A135 PolarHBondContact O-N 3.08Å; A135-F138 CarbonylContact O-C 3.59Å; A135-F138 PolarHBondContact O-N 3.12Å; A135-N139 PolarHBondContact O-N 2.89Å; A135-C140 PolarHBondContact O-N 3.26Å; A135-F142 HydrophobicContact CB-CB 3.59Å; A135-F142 HydrophobicContact CB-CG 4.43Å |
| 136 | R | 98.4 | Very high | 98.5 | Very high | 165 Ų | 165 | 52.1 Ų | 52.1 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 170.6 | -73.5 | 172.4 | -172.1 | 154.7 | -1.1 | 111.6 | Q132 N133 L134 F138 N139 | Q132-R136 WeakPolarHBondContact O-CG 3.25Å; Q132-R136 PolarHBondContact O-N 3.48Å; N133-R136 WeakPolarHBondContact O-CB 3.39Å; N133-R136 PolarHBondContact O-N 3.5Å; N133-R136 PolarHBondContact OD1-NH1 2.82Å; N133-R136 VanDerWaalsContact OD1-NH1 3.07Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.26Å; R136-F138 VanDerWaalsContact C-N 3.31Å; R136-F138 PolarHBondContact O-N 3.05Å; R136-N139 PolarHBondContact O-N 2.91Å; R136-N139 VanDerWaalsContact O-N 3.14Å |
| 137 | Q | 97.6 | Very high | 98.5 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 68% | 0.682 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 175.8 | -69.3 | 173.6 | 12.5 | 0 | 0 | 111.8 | N133 L134 N139 | N133-Q137 WeakPolarHBondContact O-CG 3.17Å; N133-Q137 PolarHBondContact O-N 3.13Å; L134-Q137 CarbonylContact O-C 3.53Å; L134-Q137 WeakPolarHBondContact O-CB 3.42Å; L134-Q137 PolarHBondContact O-N 3.33Å; L134-Q137 VanDerWaalsContact O-N 3.09Å; Q137-N139 PolarHBondContact O-N 3.27Å |
| 138 | F | 97.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.1 | 176.2 | -70.1 | -0.5 | 0 | 0 | 0 | 113.8 | L80 I94 R97 M111 L134 A135 R136 C140 | L80-F138 HydrophobicContact CD1-CE2 4.36Å; I94-F138 HydrophobicContact CB-CZ 4.49Å; I94-F138 HydrophobicContact CG1-CE1 4.42Å; I94-F138 HydrophobicContact CG1-CZ 4.07Å; R97-F138 HydrophobicContact CB-CD2 4.23Å; R97-F138 HydrophobicContact CB-CE1 4.35Å; R97-F138 HydrophobicContact CB-CE2 3.8Å; R97-F138 HydrophobicContact CB-CZ 3.88Å; R97-F138 HydrophobicContact CG-CD1 4.14Å; R97-F138 HydrophobicContact CG-CD2 3.96Å; R97-F138 HydrophobicContact CG-CE1 4.2Å; R97-F138 HydrophobicContact CG-CE2 4.02Å; R97-F138 HydrophobicContact CG-CG 4.03Å; R97-F138 HydrophobicContact CG-CZ 4.15Å; M111-F138 HydrophobicContact SD-CD2 4.47Å; L134-F138 HydrophobicContact CD1-CD1 4.16Å; L134-F138 HydrophobicContact CD1-CE1 3.55Å; L134-F138 HydrophobicContact CD1-CE2 4.21Å; L134-F138 HydrophobicContact CD1-CZ 3.57Å; L134-F138 HydrophobicContact CD2-CE2 3.98Å; L134-F138 HydrophobicContact CD2-CZ 3.97Å; L134-F138 HydrophobicContact CG-CD1 4.46Å; L134-F138 HydrophobicContact CG-CD2 4.27Å; L134-F138 HydrophobicContact CG-CE1 4.09Å; L134-F138 HydrophobicContact CG-CE2 3.88Å; L134-F138 HydrophobicContact CG-CZ 3.77Å; L134-F138 WeakPolarHBondContact O-CG 3.49Å; L134-F138 PolarHBondContact O-N 2.58Å; A135-F138 CarbonylContact O-C 3.59Å; A135-F138 PolarHBondContact O-N 3.12Å; R136-F138 VanDerWaalsContact C-N 3.31Å; R136-F138 PolarHBondContact O-N 3.05Å; F138-C140 VanDerWaalsContact C-N 3.27Å; F138-C140 HydrophobicContact CB-CB 4.35Å; F138-C140 PolarHBondContact O-N 3.32Å |
| 139 | N | 96.9 | Very high | 98.4 | Very high | 117 Ų | 117 | 53.8 Ų | 53.8 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.8 | -171.1 | -167.8 | 31.9 | 0 | 0 | 0 | 112.7 | E108 A135 R136 Q137 | E108-N139 PolarHBondContact OE1-ND2 2.82Å; E108-N139 VanDerWaalsContact OE1-ND2 3.14Å; A135-N139 PolarHBondContact O-N 2.89Å; R136-N139 PolarHBondContact O-N 2.91Å; R136-N139 VanDerWaalsContact O-N 3.14Å; Q137-N139 PolarHBondContact O-N 3.27Å |
| 140 | C | 98.2 | Very high | 98.4 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | trans | -129 | 170.4 | -177.3 | 78.4 | 0 | 0 | 0 | 0 | 112.9 | M111 A135 F138 | M111-C140 HydrophobicContact CB-CB 4.03Å; M111-C140 HydrophobicContact CG-CB 4.19Å; A135-C140 PolarHBondContact O-N 3.26Å; F138-C140 VanDerWaalsContact C-N 3.27Å; F138-C140 HydrophobicContact CB-CB 4.35Å; F138-C140 PolarHBondContact O-N 3.32Å | ||
| 141 | A | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 157.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I112 L113 D159 | I112-A141 HydrophobicContact CB-CB 4.3Å; I112-A141 HydrophobicContact CD1-CB 4.08Å; I112-A141 HydrophobicContact CG1-CB 3.91Å; L113-A141 PolarHBondContact N-O 3.29Å; A141-D159 WeakPolarHBondContact CB-OD2 3.41Å |
| 142 | F | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.8 | 173.8 | 173.7 | -117.3 | 0 | 0 | 0 | 110.4 | Y82 L113 Q132 A135 E144 | Y82-F142 HydrophobicContact CE1-CE2 4.2Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.45Å; L113-F142 HydrophobicContact CB-CD2 4.15Å; L113-F142 HydrophobicContact CD2-CD2 4.06Å; L113-F142 HydrophobicContact CG-CD2 4.14Å; L113-F142 WeakPolarHBondContact O-CA 3.5Å; Q132-F142 HydrophobicContact CB-CD1 4.18Å; Q132-F142 HydrophobicContact CB-CE1 4.46Å; A135-F142 HydrophobicContact CB-CB 3.59Å; A135-F142 HydrophobicContact CB-CG 4.43Å; F142-E144 HydrophobicContact CE1-CG 4.18Å; F142-E144 HydrophobicContact CE2-CG 4.35Å; F142-E144 HydrophobicContact CZ-CG 3.6Å |
| 143 | L | 98.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.9 | 167.2 | -70.6 | 176.6 | 0 | 0 | 0 | 109.8 | I112 L113 V114 G115 N152 E155 V156 | I112-L143 HydrophobicContact CD1-CB 4.38Å; I112-L143 HydrophobicContact CD1-CD1 3.81Å; I112-L143 HydrophobicContact CD1-CG 4Å; L113-L143 PolarHBondContact O-N 2.81Å; V114-L143 VanDerWaalsContact CA-O 3.29Å; V114-L143 WeakPolarHBondContact CA-O 3.31Å; G115-L143 PolarHBondContact N-O 2.86Å; L143-N152 HydrophobicContact CD1-CB 4.47Å; L143-E155 HydrophobicContact CD1-CB 3.86Å; L143-V156 HydrophobicContact CB-CG2 4.35Å; L143-V156 HydrophobicContact CD1-CG2 4.02Å |
| 144 | E | 98.9 | Very high | 98.4 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 142.4 | 160.1 | -67 | -160.7 | 156.6 | 0 | 0 | 110.2 | G115 C118 R124 K128 F142 N152 | G115-E144 CarbonylContact O-C 3.55Å; G115-E144 WeakPolarHBondContact O-CA 3.45Å; G115-E144 WeakPolarHBondContact O-CB 2.85Å; C118-E144 HydrophobicContact CB-CB 4.13Å; R124-E144 IonicContact CZ-OE1 3.64Å; R124-E144 IonicContact CZ-OE2 3.43Å; R124-E144 IonicContact NH1-OE1 3.1Å; R124-E144 PolarHBondContact NH1-OE1 2.94Å; R124-E144 IonicContact NH1-OE2 3.65Å; R124-E144 IonicContact NH2-OE1 3.97Å; R124-E144 PolarHBondContact NH2-OE1 3.28Å; R124-E144 IonicContact NH2-OE2 3.34Å; R124-E144 PolarHBondContact NH2-OE2 3.28Å; K128-E144 WeakPolarHBondContact CE-OE2 3.19Å; K128-E144 HydrophobicContact CG-CG 4.46Å; K128-E144 WeakPolarHBondContact CG-OE1 3.48Å; K128-E144 IonicContact NZ-OE2 2.82Å; F142-E144 HydrophobicContact CE1-CG 4.18Å; F142-E144 HydrophobicContact CE2-CG 4.35Å; F142-E144 HydrophobicContact CZ-CG 3.6Å; E144-N152 WeakPolarHBondContact O-CB 3.11Å; E144-N152 PolarHBondContact O-ND2 2.78Å |
| 145 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.6 | -179.8 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | L19 V114 G115 N116 K117 C118 V151 N152 V156 | L19-T145 HydrophobicContact CD1-CG2 4.22Å; V114-T145 HydrophobicContact CG1-CG2 3.61Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.08Å; G115-T145 PolarHBondContact O-N 2.82Å; N116-T145 CarbonylContact C-O 3.53Å; N116-T145 VanDerWaalsContact CA-O 3.32Å; N116-T145 WeakPolarHBondContact CA-O 3.45Å; N116-T145 WeakPolarHBondContact CA-OG1 3.44Å; N116-T145 PolarHBondContact OD1-O 2.66Å; N116-T145 PolarHBondContact OD1-OG1 3.25Å; K117-T145 PolarHBondContact N-O 3.35Å; C118-T145 PolarHBondContact N-O 3.11Å; C118-T145 PolarHBondContact SG-O 3.19Å; C118-T145 VanDerWaalsContact SG-O 3.4Å; T145-V151 VanDerWaalsContact CA-O 3.27Å; T145-V151 WeakPolarHBondContact CA-O 3.29Å; T145-V151 WeakPolarHBondContact CB-O 3.32Å; T145-N152 HydrophobicContact CG2-CB 3.91Å; T145-V156 HydrophobicContact CG2-CG2 3.57Å |
| 146 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 111 | 159.3 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | D119 K148 A149 K150 V151 | D119-S146 WeakPolarHBondContact CB-OG 3.3Å; D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.33Å; D119-S146 PolarHBondContact OD1-OG 3.13Å; S146-K148 PolarHBondContact O-N 2.84Å; S146-K148 PolarHBondContact OG-N 2.93Å; S146-A149 WeakPolarHBondContact OG-CB 3.42Å; S146-A149 PolarHBondContact OG-N 2.73Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.31Å; S146-K150 WeakPolarHBondContact O-CA 3.37Å; S146-K150 PolarHBondContact O-N 3.42Å; S146-V151 PolarHBondContact N-O 3Å; S146-V151 PolarHBondContact O-N 2.86Å |
| 147 | A | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -36.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A18 L19 Q22 F28 N116 | A18-A147 HydrophobicContact CB-CB 3.82Å; L19-A147 HydrophobicContact CB-CB 4.5Å; Q22-A147 WeakPolarHBondContact CG-O 3.27Å; Q22-A147 PolarHBondContact NE2-O 3.39Å; F28-A147 HydrophobicContact CD2-CB 4.1Å; F28-A147 HydrophobicContact CE2-CB 4.17Å; N116-A147 PolarHBondContact OD1-N 3.03Å |
| 148 | K | 98.3 | Very high | 98.5 | Very high | 113 Ų | 113 | 43.5 Ų | 43.5 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -51.1 | -179.8 | -172.9 | 176.8 | -178.2 | -179.4 | 0 | 112.3 | F28 D119 S146 K150 | F28-K148 HydrophobicContact CD1-CB 4.3Å; F28-K148 HydrophobicContact CD1-CG 4.05Å; F28-K148 HydrophobicContact CD2-CB 4.26Å; F28-K148 HydrophobicContact CE1-CB 4.04Å; F28-K148 HydrophobicContact CE1-CD 4.18Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4Å; F28-K148 HydrophobicContact CG-CB 4.4Å; F28-K148 HydrophobicContact CZ-CB 3.9Å; F28-K148 HydrophobicContact CZ-CD 4.47Å; F28-K148 HydrophobicContact CZ-CG 4.18Å; D119-K148 WeakPolarHBondContact OD2-CD 3.47Å; S146-K148 PolarHBondContact O-N 2.84Å; S146-K148 PolarHBondContact OG-N 2.93Å; K148-K150 VanDerWaalsContact C-N 3.34Å |
| 149 | A | 98.2 | Very high | 98.6 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 49% | 0.488 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D119 S146 V151 | D119-A149 HydrophobicContact CB-CB 4.26Å; S146-A149 WeakPolarHBondContact OG-CB 3.42Å; S146-A149 PolarHBondContact OG-N 2.73Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.09Å; A149-V151 PolarHBondContact O-N 2.89Å |
| 150 | K | 98 | Very high | 98.6 | Very high | 127 Ų | 127 | 38.6 Ų | 38.6 | 55% | 0.552 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 27.8 | -178.3 | -41 | -148.3 | -176.9 | -169.1 | 0 | 114.6 | G26 S146 K148 | G26-K150 PolarHBondContact O-NZ 3.09Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.31Å; S146-K150 WeakPolarHBondContact O-CA 3.37Å; S146-K150 PolarHBondContact O-N 3.42Å; K148-K150 VanDerWaalsContact C-N 3.34Å |
| 151 | V | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 35% | 0.345 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -81.8 | 125.7 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | T145 S146 A149 V153 | T145-V151 VanDerWaalsContact CA-O 3.27Å; T145-V151 WeakPolarHBondContact CA-O 3.29Å; T145-V151 WeakPolarHBondContact CB-O 3.32Å; S146-V151 PolarHBondContact N-O 3Å; S146-V151 PolarHBondContact O-N 2.86Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.09Å; A149-V151 PolarHBondContact O-N 2.89Å; V151-V153 PolarHBondContact O-N 3.48Å |
| 152 | N | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 56.3 | 17.9 | 175.2 | -65.7 | -31.3 | 0 | 0 | 0 | 115.8 | L143 E144 T145 E155 V156 | L143-N152 HydrophobicContact CD1-CB 4.47Å; E144-N152 WeakPolarHBondContact O-CB 3.11Å; E144-N152 PolarHBondContact O-ND2 2.78Å; T145-N152 HydrophobicContact CG2-CB 3.91Å; N152-E155 WeakPolarHBondContact CA-OE2 3.29Å; N152-E155 HydrophobicContact CB-CB 4.28Å; N152-E155 PolarHBondContact O-N 3.35Å; N152-V156 WeakPolarHBondContact O-CG2 3.45Å; N152-V156 PolarHBondContact O-N 3Å |
| 153 | V | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | -174.4 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L19 Q22 F23 V151 E155 F157 | L19-V153 HydrophobicContact CD1-CB 4.33Å; L19-V153 HydrophobicContact CD1-CG1 4.13Å; L19-V153 HydrophobicContact CD1-CG2 3.96Å; Q22-V153 HydrophobicContact CB-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG1 4.03Å; Q22-V153 HydrophobicContact CG-CG2 4.04Å; F23-V153 HydrophobicContact CB-CG1 3.78Å; V151-V153 PolarHBondContact O-N 3.48Å; V153-E155 PolarHBondContact N-OE2 3.38Å; V153-F157 WeakPolarHBondContact O-CD2 3.38Å |
| 154 | N | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.1 | -36.5 | 179.9 | -69.6 | -39.7 | 0 | 0 | 0 | 111.3 | F23 V156 F157 Y158 | F23-N154 WeakPolarHBondContact CD2-OD1 3.2Å; F23-N154 HydrophobicContact CE2-CB 4.46Å; F23-N154 WeakPolarHBondContact CE2-OD1 3.29Å; N154-V156 VanDerWaalsContact C-N 3.28Å; N154-V156 PolarHBondContact O-N 3.25Å; N154-F157 PolarHBondContact O-N 3.27Å; N154-Y158 HydrophobicContact CB-CD2 4.18Å; N154-Y158 HydrophobicContact CB-CE2 3.8Å; N154-Y158 WeakPolarHBondContact O-CB 3.45Å; N154-Y158 VanDerWaalsContact O-CG 3.26Å; N154-Y158 PolarHBondContact O-N 3.4Å |
| 155 | E | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.1 | -41.9 | -175.9 | -69.2 | 70.4 | -165 | 0 | 0 | 111 | L143 N152 V153 Y158 D159 | L143-E155 HydrophobicContact CD1-CB 3.86Å; N152-E155 WeakPolarHBondContact CA-OE2 3.29Å; N152-E155 HydrophobicContact CB-CB 4.28Å; N152-E155 PolarHBondContact O-N 3.35Å; V153-E155 PolarHBondContact N-OE2 3.38Å; E155-Y158 PolarHBondContact O-N 2.88Å; E155-D159 VanDerWaalsContact O-CB 3.25Å; E155-D159 WeakPolarHBondContact O-CB 3.27Å; E155-D159 PolarHBondContact O-N 3.37Å |
| 156 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.3 | -52.5 | 175.6 | 166.6 | 0 | 0 | 0 | 0 | 112.1 | V79 I112 V114 L143 T145 N152 N154 L160 | V79-V156 HydrophobicContact CG1-CG1 3.74Å; V79-V156 HydrophobicContact CG2-CG1 3.91Å; I112-V156 HydrophobicContact CD1-CG2 4.27Å; I112-V156 HydrophobicContact CG2-CG1 3.92Å; V114-V156 HydrophobicContact CG2-CG1 3.93Å; V114-V156 HydrophobicContact CG2-CG2 3.71Å; L143-V156 HydrophobicContact CB-CG2 4.35Å; L143-V156 HydrophobicContact CD1-CG2 4.02Å; T145-V156 HydrophobicContact CG2-CG2 3.57Å; N152-V156 WeakPolarHBondContact O-CG2 3.45Å; N152-V156 PolarHBondContact O-N 3Å; N154-V156 VanDerWaalsContact C-N 3.28Å; N154-V156 PolarHBondContact O-N 3.25Å; V156-L160 PolarHBondContact O-N 2.78Å |
| 157 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73 | -35.8 | -176.3 | -62.7 | -81.5 | 0 | 0 | 0 | 111.9 | I6 V8 L19 F23 L53 I55 V153 N154 L160 V161 | I6-F157 HydrophobicContact CD1-CD1 4.16Å; I6-F157 HydrophobicContact CG2-CD1 4.27Å; I6-F157 HydrophobicContact CG2-CE1 4.34Å; V8-F157 HydrophobicContact CG2-CE1 4.27Å; L19-F157 HydrophobicContact CG-CE2 4.38Å; F23-F157 HydrophobicContact CB-CD2 3.84Å; F23-F157 HydrophobicContact CB-CE2 3.46Å; F23-F157 VanDerWaalsContact CB-CE2 3.46Å; F23-F157 HydrophobicContact CB-CZ 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.35Å; F23-F157 AromaticContact CD1-CD2 3.72Å; F23-F157 HydrophobicContact CD1-CD2 3.72Å; F23-F157 AromaticContact CD1-CE2 3.93Å; F23-F157 HydrophobicContact CD1-CE2 3.93Å; F23-F157 AromaticContact CD1-CG 3.96Å; F23-F157 HydrophobicContact CD1-CG 3.96Å; F23-F157 HydrophobicContact CD1-CZ 4.32Å; F23-F157 HydrophobicContact CD2-CB 4.41Å; F23-F157 AromaticContact CD2-CD2 3.45Å; F23-F157 HydrophobicContact CD2-CD2 3.45Å; F23-F157 VanDerWaalsContact CD2-CD2 3.45Å; F23-F157 HydrophobicContact CD2-CE2 4.03Å; F23-F157 HydrophobicContact CD2-CG 4.15Å; F23-F157 HydrophobicContact CE1-CB 4.11Å; F23-F157 HydrophobicContact CE1-CD1 4.38Å; F23-F157 HydrophobicContact CE1-CD2 4.09Å; F23-F157 AromaticContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE1-CG 3.93Å; F23-F157 HydrophobicContact CE2-CB 3.91Å; F23-F157 AromaticContact CE2-CD2 3.85Å; F23-F157 HydrophobicContact CE2-CD2 3.85Å; F23-F157 HydrophobicContact CE2-CG 4.12Å; F23-F157 AromaticContact CG-CD2 3.37Å; F23-F157 HydrophobicContact CG-CD2 3.37Å; F23-F157 AromaticContact CG-CE2 3.54Å; F23-F157 HydrophobicContact CG-CE2 3.54Å; F23-F157 HydrophobicContact CG-CG 4.07Å; F23-F157 HydrophobicContact CG-CZ 4.32Å; F23-F157 HydrophobicContact CZ-CB 3.73Å; F23-F157 HydrophobicContact CZ-CD2 4.13Å; F23-F157 AromaticContact CZ-CG 3.99Å; F23-F157 HydrophobicContact CZ-CG 3.99Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; I55-F157 HydrophobicContact CD1-CD1 3.78Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.33Å; I55-F157 HydrophobicContact CG1-CD1 4.33Å; I55-F157 HydrophobicContact CG1-CE1 4.2Å; I55-F157 HydrophobicContact CG2-CE1 4.03Å; V153-F157 WeakPolarHBondContact O-CD2 3.38Å; N154-F157 PolarHBondContact O-N 3.27Å; F157-L160 PolarHBondContact O-N 3.07Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å; F157-V161 PolarHBondContact O-N 3.35Å |
| 158 | Y | 98.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 179.2 | -64.1 | -10.6 | 0 | 0 | 0 | 112.4 | F23 V44 V46 N154 E155 L160 V161 R162 | F23-Y158 AromaticContact CE2-CE1 3.89Å; F23-Y158 HydrophobicContact CE2-CE1 3.89Å; F23-Y158 HydrophobicContact CZ-CE1 4.04Å; V44-Y158 HydrophobicContact CB-CE1 3.88Å; V44-Y158 HydrophobicContact CG1-CE1 4.05Å; V44-Y158 HydrophobicContact CG2-CE1 3.95Å; V46-Y158 HydrophobicContact CG2-CD1 3.59Å; V46-Y158 HydrophobicContact CG2-CE1 4.12Å; V46-Y158 HydrophobicContact CG2-CG 3.98Å; N154-Y158 HydrophobicContact CB-CD2 4.18Å; N154-Y158 HydrophobicContact CB-CE2 3.8Å; N154-Y158 WeakPolarHBondContact O-CB 3.45Å; N154-Y158 VanDerWaalsContact O-CG 3.26Å; N154-Y158 PolarHBondContact O-N 3.4Å; E155-Y158 PolarHBondContact O-N 2.88Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 2.93Å; Y158-V161 PolarHBondContact O-N 2.78Å; Y158-R162 WeakPolarHBondContact O-CG 3.32Å; Y158-R162 PolarHBondContact O-N 3.41Å; Y158-R162 VanDerWaalsContact O-N 3.1Å |
| 159 | D | 98.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 172.4 | -175.4 | 67.7 | 0 | 0 | 0 | 110.9 | I112 A141 E155 V161 R162 Q163 | I112-D159 HydrophobicContact CD1-CB 4.39Å; A141-D159 WeakPolarHBondContact CB-OD2 3.41Å; E155-D159 VanDerWaalsContact O-CB 3.25Å; E155-D159 WeakPolarHBondContact O-CB 3.27Å; E155-D159 PolarHBondContact O-N 3.37Å; D159-V161 VanDerWaalsContact C-N 3.35Å; D159-V161 PolarHBondContact O-N 3.39Å; D159-R162 WeakPolarHBondContact O-CA 3.2Å; D159-R162 WeakPolarHBondContact O-CB 3.24Å; D159-R162 PolarHBondContact O-N 3.02Å; D159-Q163 WeakPolarHBondContact O-CG 3.34Å; D159-Q163 PolarHBondContact O-N 2.87Å; D159-Q163 PolarHBondContact OD2-NE2 3.04Å |
| 160 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 179 | -163 | 62.6 | 0 | 0 | 0 | 112.7 | I6 V79 P110 I112 V156 F157 Y158 R162 Q163 I164 | I6-L160 HydrophobicContact CB-CD2 4.24Å; I6-L160 HydrophobicContact CD1-CD2 4.02Å; I6-L160 HydrophobicContact CG1-CD2 3.8Å; I6-L160 HydrophobicContact CG2-CD2 3.55Å; V79-L160 HydrophobicContact CG2-CD2 3.77Å; P110-L160 HydrophobicContact CB-CD1 4.01Å; I112-L160 HydrophobicContact CG2-CD1 4.47Å; V156-L160 PolarHBondContact O-N 2.78Å; F157-L160 PolarHBondContact O-N 3.07Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 2.93Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-N 3.03Å; L160-I164 HydrophobicContact CG-CD1 4.38Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.46Å |
| 161 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 171.1 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | Y4 V46 L53 F157 Y158 D159 I164 N165 | Y4-V161 HydrophobicContact CD1-CG1 4.3Å; Y4-V161 HydrophobicContact CD1-CG2 4.34Å; Y4-V161 HydrophobicContact CE1-CG1 3.81Å; Y4-V161 HydrophobicContact CE2-CG1 4.29Å; Y4-V161 HydrophobicContact CG-CG2 4.31Å; V46-V161 HydrophobicContact CB-CG1 3.94Å; V46-V161 HydrophobicContact CG1-CB 4.38Å; V46-V161 HydrophobicContact CG1-CG1 3.92Å; V46-V161 HydrophobicContact CG2-CB 4.25Å; V46-V161 HydrophobicContact CG2-CG1 3.98Å; V46-V161 HydrophobicContact CG2-CG2 4.45Å; L53-V161 HydrophobicContact CD1-CG2 3.77Å; L53-V161 HydrophobicContact CD2-CG2 4.08Å; L53-V161 HydrophobicContact CG-CG2 4.08Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å; F157-V161 PolarHBondContact O-N 3.35Å; Y158-V161 PolarHBondContact O-N 2.78Å; D159-V161 VanDerWaalsContact C-N 3.35Å; D159-V161 PolarHBondContact O-N 3.39Å; V161-I164 PolarHBondContact O-N 2.8Å; V161-N165 WeakPolarHBondContact O-CB 3.4Å; V161-N165 PolarHBondContact O-N 3.33Å; V161-N165 PolarHBondContact O-ND2 2.87Å |
| 162 | R | 98.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 56.3 Ų | 56.3 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.8 | -67.3 | 177.4 | -174.2 | 115.2 | -0.1 | 111.9 | V46 D47 Y158 D159 L160 N165 R166 | V46-R162 HydrophobicContact CG1-CG 4.02Å; D47-R162 IonicContact OD1-CZ 3.64Å; D47-R162 IonicContact OD1-NE 2.97Å; D47-R162 PolarHBondContact OD1-NE 3.03Å; D47-R162 IonicContact OD1-NH2 2.77Å; D47-R162 PolarHBondContact OD1-NH2 2.96Å; D47-R162 WeakPolarHBondContact OD2-CG 2.91Å; D47-R162 IonicContact OD2-NE 3.12Å; D47-R162 PolarHBondContact OD2-NE 2.96Å; D47-R162 VanDerWaalsContact OD2-NE 3.12Å; Y158-R162 WeakPolarHBondContact O-CG 3.32Å; Y158-R162 PolarHBondContact O-N 3.41Å; Y158-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact O-CA 3.2Å; D159-R162 WeakPolarHBondContact O-CB 3.24Å; D159-R162 PolarHBondContact O-N 3.02Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.44Å; R162-N165 PolarHBondContact O-N 3.4Å; R162-R166 WeakPolarHBondContact O-CG 3.46Å; R162-R166 PolarHBondContact O-N 3.32Å |
| 163 | Q | 98.4 | Very high | 93 | Very high | 31 Ų | 31 | 57 Ų | 57 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.4 | -65.4 | -173.3 | 36.5 | 0 | 0 | 111.7 | P110 M111 D159 L160 N165 R166 R167 | P110-Q163 HydrophobicContact CB-CB 3.83Å; M111-Q163 PolarHBondContact O-NE2 2.91Å; M111-Q163 PolarHBondContact O-OE1 2.94Å; M111-Q163 VanDerWaalsContact O-OE1 3.12Å; D159-Q163 WeakPolarHBondContact O-CG 3.34Å; D159-Q163 PolarHBondContact O-N 2.87Å; D159-Q163 PolarHBondContact OD2-NE2 3.04Å; L160-Q163 PolarHBondContact O-N 3.03Å; Q163-N165 VanDerWaalsContact C-N 3.28Å; Q163-N165 PolarHBondContact O-N 3.07Å; Q163-R166 PolarHBondContact O-N 2.91Å; Q163-R167 PolarHBondContact O-N 2.97Å |
| 164 | I | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.9 | -66.2 | 164.4 | 0 | 0 | 0 | 110.7 | Y4 I6 Q76 P110 L160 V161 R167 F168 | Y4-I164 HydrophobicContact CD1-CB 3.99Å; Y4-I164 HydrophobicContact CD1-CD1 3.97Å; Y4-I164 HydrophobicContact CD1-CG2 3.66Å; Y4-I164 HydrophobicContact CE1-CB 4.21Å; Y4-I164 HydrophobicContact CE1-CG2 3.9Å; I6-I164 HydrophobicContact CG1-CD1 4.46Å; Q76-I164 HydrophobicContact CB-CD1 3.94Å; Q76-I164 HydrophobicContact CB-CG1 4.24Å; Q76-I164 HydrophobicContact CB-CG2 4.28Å; P110-I164 HydrophobicContact CB-CG1 3.75Å; P110-I164 HydrophobicContact CG-CG1 3.9Å; L160-I164 HydrophobicContact CG-CD1 4.38Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.46Å; V161-I164 PolarHBondContact O-N 2.8Å; I164-R167 PolarHBondContact O-N 3.21Å; I164-F168 HydrophobicContact CG2-CD2 4.27Å; I164-F168 PolarHBondContact O-N 3.33Å |
| 165 | N | 96.7 | Very high | 89.3 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 177.4 | -79.1 | -31.9 | 0 | 0 | 0 | 113.7 | R2 Y4 V161 R162 Q163 F168 P169 | R2-N165 PolarHBondContact NH1-OD1 3.43Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.43Å; Y4-N165 VanDerWaalsContact OH-CG 3.29Å; Y4-N165 PolarHBondContact OH-ND2 3.05Å; Y4-N165 PolarHBondContact OH-OD1 2.99Å; V161-N165 WeakPolarHBondContact O-CB 3.4Å; V161-N165 PolarHBondContact O-N 3.33Å; V161-N165 PolarHBondContact O-ND2 2.87Å; R162-N165 PolarHBondContact O-N 3.4Å; Q163-N165 VanDerWaalsContact C-N 3.28Å; Q163-N165 PolarHBondContact O-N 3.07Å; N165-F168 CarbonylContact O-C 3.6Å; N165-P169 VanDerWaalsContact O-CA 3.3Å; N165-P169 WeakPolarHBondContact O-CA 3.42Å |
| 166 | R | 95.2 | Very high | 87.4 | Confident | 180 Ų | 180 | 73.4 Ų | 73.4 | 68% | 0.679 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.4 | -44.5 | 174.8 | -70.8 | 169.5 | -171 | 160 | 4.2 | 110.9 | R162 Q163 | R162-R166 WeakPolarHBondContact O-CG 3.46Å; R162-R166 PolarHBondContact O-N 3.32Å; Q163-R166 PolarHBondContact O-N 2.91Å |
| 167 | R | 93.8 | Very high | 85.4 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.3 | -41.3 | -179.3 | -172.7 | 174.7 | 179.7 | 98.7 | -9.4 | 113.1 | T106 E108 P110 Q163 I164 P169 | T106-R167 PolarHBondContact OG1-NH2 2.92Å; E108-R167 PolarHBondContact O-NH1 3.07Å; E108-R167 PolarHBondContact O-NH2 2.9Å; P110-R167 HydrophobicContact CG-CB 4.35Å; Q163-R167 PolarHBondContact O-N 2.97Å; I164-R167 PolarHBondContact O-N 3.21Å; R167-P169 WeakPolarHBondContact O-CD 3.47Å |
| 168 | F | 91.9 | Very high | 83.5 | Confident | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -124.2 | 77.2 | -178.7 | -51.7 | -70.1 | 0 | 0 | 0 | 110 | R2 I164 N165 D170 | R2-F168 VanDerWaalsContact CZ-O 3.26Å; R2-F168 PolarHBondContact NH1-O 3.37Å; R2-F168 PolarHBondContact NH2-O 2.68Å; I164-F168 HydrophobicContact CG2-CD2 4.27Å; I164-F168 PolarHBondContact O-N 3.33Å; N165-F168 CarbonylContact O-C 3.6Å; F168-D170 PolarHBondContact O-N 2.97Å |
| 169 | P | 89.4 | Confident | 81.4 | Confident | 69 Ų | 69 | 91 Ų | 91 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | trans | -61.9 | 136.9 | -179.3 | -22.9 | 34 | 0 | 0 | 0 | 111.9 | N165 R167 P171 | N165-P169 VanDerWaalsContact O-CA 3.3Å; N165-P169 WeakPolarHBondContact O-CA 3.42Å; R167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-P171 VanDerWaalsContact O-CD 3.31Å; P169-P171 WeakPolarHBondContact O-CD 3.27Å | ||
| 170 | D | 83.7 | Confident | 79.4 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 20% | 0.203 | 44% | 0.437 | C | S | . | . | trans | -67.6 | 120.2 | 174.7 | -179.7 | -6.5 | 0 | 0 | 0 | 109.9 | F168 K172 Q173 | F168-D170 PolarHBondContact O-N 2.97Å; D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 VanDerWaalsContact O-N 3.11Å; D170-K172 WeakPolarHBondContact OD1-CB 3.19Å; D170-K172 PolarHBondContact OD1-N 2.73Å; D170-Q173 HydrophobicContact CB-CG 4Å; D170-Q173 WeakPolarHBondContact O-CB 3.39Å; D170-Q173 PolarHBondContact O-N 3.36Å | ||
| 171 | P | 78 | Confident | 77.5 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.2 | -30 | 177.8 | -24.9 | 34 | 0 | 0 | 0 | 113.6 | P169 Q173 R174 | P169-P171 VanDerWaalsContact O-CD 3.31Å; P169-P171 WeakPolarHBondContact O-CD 3.27Å; P171-Q173 PolarHBondContact O-N 2.77Å; P171-R174 PolarHBondContact O-N 3.1Å |
| 172 | K | 74.3 | Confident | 75.1 | Confident | 166 Ų | 166 | 113.3 Ų | 113.3 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -28.2 | 177.9 | -64.2 | 178.1 | -179.8 | 176.7 | 0 | 112.1 | D170 | D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 VanDerWaalsContact O-N 3.11Å; D170-K172 WeakPolarHBondContact OD1-CB 3.19Å; D170-K172 PolarHBondContact OD1-N 2.73Å |
| 173 | Q | 67.3 | Low | 72.9 | Confident | 68 Ų | 68 | 115.5 Ų | 115.5 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -78.7 | -31.4 | 178.8 | -62.1 | -172.6 | 37.4 | 0 | 0 | 112.7 | Q49 D170 P171 K175 K176 R177 | Q49-Q173 VanDerWaalsContact NE2-NE2 3.18Å; Q49-Q173 VanDerWaalsContact NE2-OE1 3.09Å; D170-Q173 HydrophobicContact CB-CG 4Å; D170-Q173 WeakPolarHBondContact O-CB 3.39Å; D170-Q173 PolarHBondContact O-N 3.36Å; P171-Q173 PolarHBondContact O-N 2.77Å; Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 2.8Å; Q173-K176 PolarHBondContact O-N 3.39Å; Q173-R177 PolarHBondContact O-N 3.32Å |
| 174 | R | 61 | Low | 70.5 | Confident | 189 Ų | 189 | 121.2 Ų | 121.2 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -42.2 | 174 | -77.4 | -177.8 | 149.7 | -177.4 | -6.1 | 111.6 | P171 R177 S178 | P171-R174 PolarHBondContact O-N 3.1Å; R174-R177 PolarHBondContact O-N 3.24Å; R174-S178 PolarHBondContact O-N 2.95Å; R174-S178 VanDerWaalsContact O-N 3.12Å; R174-S178 PolarHBondContact O-OG 2.54Å |
| 175 | K | 59.3 | Low | 67.9 | Low | 157 Ų | 157 | 132.9 Ų | 132.9 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 178 | -67.3 | -172 | 178.5 | -175.3 | 0 | 113.5 | Q173 S178 Q179 | Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 2.8Å; K175-S178 PolarHBondContact O-N 3.07Å; K175-S178 PolarHBondContact O-OG 2.87Å; K175-Q179 PolarHBondContact O-N 3.07Å; K175-Q179 VanDerWaalsContact O-N 3.09Å |
| 176 | K | 58 | Low | 66.5 | Low | 156 Ų | 156 | 138 Ų | 138 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.9 | -38 | 177.5 | -75.3 | -171.2 | 177.2 | -177 | 0 | 112.5 | Q173 K180 | Q173-K176 PolarHBondContact O-N 3.39Å; K176-K180 PolarHBondContact O-N 3.23Å |
| 177 | R | 57.8 | Low | 65 | Low | 208 Ų | 208 | 135.7 Ų | 135.7 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.3 | -37.4 | 176 | -86.1 | -175 | 167.9 | -177.4 | -2.5 | 112.5 | Q173 R174 R181 | Q173-R177 PolarHBondContact O-N 3.32Å; R174-R177 PolarHBondContact O-N 3.24Å; R177-R181 PolarHBondContact O-N 2.74Å |
| 178 | S | 57.5 | Low | 63.4 | Low | 69 Ų | 69 | 138.1 Ų | 138.1 | 48% | 0.483 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 176.5 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | R174 K175 K180 R181 C182 | R174-S178 PolarHBondContact O-N 2.95Å; R174-S178 VanDerWaalsContact O-N 3.12Å; R174-S178 PolarHBondContact O-OG 2.54Å; K175-S178 PolarHBondContact O-N 3.07Å; K175-S178 PolarHBondContact O-OG 2.87Å; S178-K180 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.04Å; S178-R181 PolarHBondContact O-N 3.42Å; S178-C182 PolarHBondContact O-N 3.49Å |
| 179 | Q | 56.1 | Low | 61.7 | Low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.8 | -40.2 | 175.5 | -89.4 | -178.4 | -29.8 | 0 | 0 | 112.9 | K175 R181 C182 | K175-Q179 PolarHBondContact O-N 3.07Å; K175-Q179 VanDerWaalsContact O-N 3.09Å; Q179-R181 VanDerWaalsContact C-N 3.27Å; Q179-R181 PolarHBondContact O-N 3.1Å; Q179-C182 PolarHBondContact O-N 3.38Å |
| 180 | K | 56.8 | Low | 60 | Low | 178 Ų | 178 | 144.9 Ų | 144.9 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.1 | -20 | 177.8 | -74.2 | -168.3 | 176.1 | -169.6 | 0 | 114.4 | K176 S178 | K176-K180 PolarHBondContact O-N 3.23Å; S178-K180 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.04Å |
| 181 | R | 57.3 | Low | 58.4 | Low | 229 Ų | 229 | 152 Ų | 152 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -89 | -16 | 175.9 | -82.3 | -171.6 | 173.9 | -172.7 | -2.4 | 113.1 | R177 S178 Q179 T183 | R177-R181 PolarHBondContact O-N 2.74Å; S178-R181 PolarHBondContact O-N 3.42Å; Q179-R181 VanDerWaalsContact C-N 3.27Å; Q179-R181 PolarHBondContact O-N 3.1Å; R181-T183 VanDerWaalsContact C-N 3.26Å; R181-T183 PolarHBondContact O-N 3.32Å |
| 182 | C | 49.5 | Very low | 57 | Low | 98 Ų | 98 | 156 Ų | 156 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | trans | -90.2 | 60.2 | 170.6 | -75.8 | 0 | 0 | 0 | 0 | 110.5 | S178 Q179 | S178-C182 PolarHBondContact O-N 3.49Å; Q179-C182 PolarHBondContact O-N 3.38Å | ||
| 183 | T | 51.8 | Low | 55.7 | Low | 122 Ų | 122 | 155.2 Ų | 155.2 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -105.2 | 83.3 | 155.3 | -39.3 | 0 | 0 | 0 | 0 | 105.4 | R181 | R181-T183 VanDerWaalsContact C-N 3.26Å; R181-T183 PolarHBondContact O-N 3.32Å | ||
| 184 | L | 46.9 | Very low | 54.7 | Low | 151 Ų | 151 | 162.5 Ų | 162.5 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -92 | 127.6 | 169.6 | -82.4 | 160.9 | 0 | 0 | 0 | 106.9 | ||||
| 185 | L | 44.4 | Very low | 54.1 | Low | 245 Ų | 245 | 160.1 Ų | 160.1 | 100% | 1.283 | 77% | 0.767 | S | S | * | * | trans | 80.3 | 0 | 170.8 | -55.1 | 167.5 | 0 | 0 | 0 | 116.3 |
Retrieved 185 of 185 residues in 124.1 ms
(Link to these results)