| 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 | 80.1 | Confident | 94.7 | Very high | 126 Ų | 126 | 39.6 Ų | 39.6 | 62% | 0.621 | 19% | 0.187 | S | C | * | . | 0 | 128.8 | 0 | -155.1 | 177.2 | -106.4 | 0 | 0 | 106.7 | E43 P50 V52 | M1-E43 HydrophobicContact SD-CG 4.12Å; M1-P50 HydrophobicContact CE-CB 3.53Å; M1-P50 HydrophobicContact CG-CB 4.03Å; M1-P50 WeakPolarHBondContact CG-O 3.47Å; M1-V52 HydrophobicContact CB-CG2 4.23Å; M1-V52 HydrophobicContact CG-CG2 3.82Å; M1-V52 HydrophobicContact SD-CG2 3.32Å; M1-V52 WeakPolarHBondContact SD-CG2 3.32Å | |||
| 2 | K | 92.2 | Very high | 94.5 | Very high | 89 Ų | 89 | 39 Ų | 39 | 39% | 0.387 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134 | -178.5 | -175.2 | 167.1 | 163.2 | -163.1 | 0 | 108.8 | Y4 S51 V52 N165 | K2-Y4 HydrophobicContact CB-CE2 3.86Å; K2-Y4 HydrophobicContact CD-CE1 4.01Å; K2-Y4 HydrophobicContact CD-CE2 4.27Å; K2-Y4 VanDerWaalsContact CD-OH 3.25Å; K2-Y4 WeakPolarHBondContact CD-OH 3.49Å; K2-Y4 VanDerWaalsContact CE-CE1 3.49Å; K2-Y4 HydrophobicContact CG-CD2 4.48Å; K2-Y4 HydrophobicContact CG-CE1 4.17Å; K2-Y4 HydrophobicContact CG-CE2 3.78Å; K2-Y4 WeakPolarHBondContact O-CE2 3.34Å; K2-S51 WeakPolarHBondContact O-CA 3.48Å; K2-V52 PolarHBondContact O-N 3.3Å; K2-N165 PolarHBondContact NZ-OD1 2.86Å |
| 3 | E | 95.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.2 | 179.1 | -56.6 | -168.4 | 144.1 | 0 | 0 | 110.1 | R41 V52 | E3-R41 IonicContact OE1-NH2 3.7Å; E3-R41 PolarHBondContact OE1-NH2 3.22Å; E3-R41 VanDerWaalsContact OE1-NH2 3.14Å; E3-V52 CarbonylContact C-O 3.58Å; E3-V52 WeakPolarHBondContact CA-O 3.45Å; E3-V52 HydrophobicContact CG-CB 4.09Å; E3-V52 HydrophobicContact CG-CG2 4.33Å |
| 4 | Y | 97.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.6 | -178.2 | -58.7 | -93.6 | 0 | 0 | 0 | 111 | K2 S51 V52 L53 E54 V161 M164 N165 | K2-Y4 HydrophobicContact CB-CE2 3.86Å; K2-Y4 HydrophobicContact CD-CE1 4.01Å; K2-Y4 HydrophobicContact CD-CE2 4.27Å; K2-Y4 VanDerWaalsContact CD-OH 3.25Å; K2-Y4 WeakPolarHBondContact CD-OH 3.49Å; K2-Y4 VanDerWaalsContact CE-CE1 3.49Å; K2-Y4 HydrophobicContact CG-CD2 4.48Å; K2-Y4 HydrophobicContact CG-CE1 4.17Å; K2-Y4 HydrophobicContact CG-CE2 3.78Å; K2-Y4 WeakPolarHBondContact O-CE2 3.34Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.32Å; Y4-V52 PolarHBondContact N-O 2.81Å; Y4-L53 WeakPolarHBondContact O-CA 3.5Å; Y4-E54 PolarHBondContact O-N 2.88Å; Y4-V161 HydrophobicContact CD1-CG1 4.47Å; Y4-V161 HydrophobicContact CD2-CG1 4.22Å; Y4-V161 HydrophobicContact CD2-CG2 4.47Å; Y4-V161 HydrophobicContact CE1-CG1 4.05Å; Y4-V161 HydrophobicContact CE2-CG1 3.8Å; Y4-M164 HydrophobicContact CD1-CB 3.9Å; Y4-M164 HydrophobicContact CD1-CE 3.64Å; Y4-M164 HydrophobicContact CD1-SD 3.89Å; Y4-M164 HydrophobicContact CE1-CB 4.13Å; Y4-M164 HydrophobicContact CG-CE 3.85Å; Y4-M164 HydrophobicContact CG-SD 4.43Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.23Å; Y4-N165 PolarHBondContact OH-ND2 3.05Å; Y4-N165 VanDerWaalsContact OH-ND2 3.14Å; Y4-N165 PolarHBondContact OH-OD1 3.27Å |
| 5 | K | 97.3 | Very high | 94.6 | Very high | 97 Ų | 97 | 34.4 Ų | 34.4 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.5 | 177.5 | -66.6 | 177.4 | 178.3 | -178.7 | 0 | 110.2 | E54 Q76 G77 | K5-E54 CarbonylContact C-O 3.52Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CE-OE2 3.49Å; K5-E54 HydrophobicContact CG-CB 4.31Å; K5-E54 WeakPolarHBondContact CG-OE2 3.08Å; K5-Q76 HydrophobicContact CB-CB 4.49Å; K5-Q76 HydrophobicContact CB-CG 4.28Å; K5-Q76 WeakPolarHBondContact O-CA 3.49Å; K5-Q76 WeakPolarHBondContact O-CB 3.45Å; K5-Q76 PolarHBondContact O-N 2.97Å; K5-G77 PolarHBondContact O-N 3.02Å; K5-G77 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.1 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | L53 E54 I55 L56 G77 I79 I160 M164 | V6-L53 HydrophobicContact CG2-CG 4.46Å; V6-E54 PolarHBondContact N-O 3.13Å; V6-I55 WeakPolarHBondContact O-CA 3.37Å; V6-L56 PolarHBondContact O-N 3.19Å; V6-G77 WeakPolarHBondContact CA-O 3.29Å; V6-I79 HydrophobicContact CG1-CD1 3.65Å; V6-I79 HydrophobicContact CG1-CG1 3.79Å; V6-I160 HydrophobicContact CG1-CG1 4.25Å; V6-I160 HydrophobicContact CG1-CG2 4.22Å; V6-I160 HydrophobicContact CG2-CG1 4.37Å; V6-I160 HydrophobicContact CG2-CG2 3.96Å; V6-M164 HydrophobicContact CG2-CE 3.61Å; V6-M164 HydrophobicContact CG2-SD 4.46Å |
| 7 | V | 97.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.8 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 109 | L9 L56 T58 G77 F78 I79 | V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 3.92Å; V7-L9 HydrophobicContact CG1-CG 3.9Å; V7-L56 HydrophobicContact CG1-CD2 4.25Å; V7-L56 HydrophobicContact CG1-CG 4.38Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.34Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-G77 PolarHBondContact N-O 2.91Å; V7-F78 HydrophobicContact CB-CD1 4Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CE1 4.08Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V7-I79 PolarHBondContact O-N 3Å |
| 8 | V | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.8 | 176.9 | -166.7 | 0 | 0 | 0 | 0 | 108.8 | K16 I55 L56 T58 I79 V81 | V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.73Å; V8-L56 PolarHBondContact N-O 3.03Å; V8-T58 PolarHBondContact O-OG1 3Å; V8-T58 VanDerWaalsContact O-OG1 3.14Å; V8-I79 HydrophobicContact CG1-CB 4.33Å; V8-I79 HydrophobicContact CG1-CG2 4.32Å; V8-I79 HydrophobicContact CG2-CB 4.48Å; V8-I79 HydrophobicContact CG2-CD1 4.35Å; V8-V81 HydrophobicContact CG1-CG2 3.69Å |
| 9 | L | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157 | -175 | -64.3 | 170.9 | 0 | 0 | 0 | 110.5 | V7 K16 T58 R68 I72 F78 I79 L80 V81 I100 | V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 3.92Å; V7-L9 HydrophobicContact CG1-CG 3.9Å; L9-K16 VanDerWaalsContact C-CD 3.47Å; L9-T58 HydrophobicContact CD2-CG2 3.97Å; L9-R68 HydrophobicContact CD2-CG 4.38Å; L9-I72 HydrophobicContact CD1-CG1 4.22Å; L9-F78 HydrophobicContact CD1-CD1 4Å; L9-I79 PolarHBondContact N-O 3.25Å; L9-L80 HydrophobicContact CB-CD2 3.84Å; L9-L80 HydrophobicContact CD1-CD2 4.49Å; L9-V81 PolarHBondContact O-N 3.05Å; L9-I100 HydrophobicContact CD1-CD1 3.83Å; L9-I100 HydrophobicContact CD1-CG1 4.11Å |
| 10 | G | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | 147 | 163 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K16 G60 V81 M96 | G10-K16 PolarHBondContact O-NZ 2.75Å; G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.47Å; G10-V81 VanDerWaalsContact CA-O 3.28Å; G10-V81 WeakPolarHBondContact CA-O 3.45Å; G10-M96 VanDerWaalsContact CA-SD 3.58Å | ||
| 11 | S | 93.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -59.9 | 166.8 | -177.3 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | V14 K16 G60 D92 | S11-V14 WeakPolarHBondContact O-CG1 3.45Å; S11-V14 VanDerWaalsContact O-CG2 3.23Å; S11-V14 WeakPolarHBondContact O-CG2 3.4Å; S11-K16 PolarHBondContact O-NZ 2.79Å; S11-G60 CarbonylContact C-O 3.59Å; S11-D92 VanDerWaalsContact OG-CB 3.27Å; S11-D92 WeakPolarHBondContact OG-CB 3.08Å; S11-D92 PolarHBondContact OG-OD2 2.75Å |
| 12 | G | 92.1 | Very high | 96 | Very high | 32 Ų | 32 | 23.4 Ų | 23.4 | 33% | 0.33 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 142.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V14 G60 | G12-V14 PolarHBondContact O-N 2.78Å; G12-V14 VanDerWaalsContact O-N 3.15Å; G12-G60 PolarHBondContact N-O 2.87Å |
| 13 | G | 92.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 33% | 0.33 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G15 K117 | G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 3.01Å; G13-K117 WeakPolarHBondContact O-CE 3.5Å; G13-K117 PolarHBondContact O-NZ 2.84Å |
| 14 | V | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -73.4 | -16.3 | 177.9 | -57 | 0 | 0 | 0 | 0 | 113.6 | S11 G12 K16 V81 N116 | S11-V14 WeakPolarHBondContact O-CG1 3.45Å; S11-V14 VanDerWaalsContact O-CG2 3.23Å; S11-V14 WeakPolarHBondContact O-CG2 3.4Å; G12-V14 PolarHBondContact O-N 2.78Å; G12-V14 VanDerWaalsContact O-N 3.15Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.68Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.87Å; V14-N116 PolarHBondContact O-ND2 2.94Å |
| 15 | G | 96.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 100 | 28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G13 A18 L19 | G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 3.01Å; G15-A18 PolarHBondContact O-N 3.27Å; G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 3.27Å |
| 16 | K | 96.6 | Very high | 96 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.8 | -56.9 | 173.9 | -57.1 | -172.7 | -61.1 | -72.7 | 0 | 111.9 | V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81 | V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; L9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 PolarHBondContact O-NZ 2.75Å; S11-K16 PolarHBondContact O-NZ 2.79Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.68Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.2Å; K16-L19 PolarHBondContact O-N 2.9Å; K16-L19 VanDerWaalsContact O-N 3.15Å; K16-T20 PolarHBondContact O-N 2.99Å; K16-T20 PolarHBondContact O-OG1 3.1Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; K16-D57 VanDerWaalsContact CB-OD1 3.27Å; K16-D57 WeakPolarHBondContact CB-OD1 3.44Å; K16-T58 WeakPolarHBondContact CE-O 3.34Å; K16-G60 VanDerWaalsContact NZ-CA 3.27Å; K16-V81 HydrophobicContact CG-CB 4.19Å; K16-V81 HydrophobicContact CG-CG2 4.29Å |
| 17 | S | 95.7 | Very high | 95.7 | Very high | 30 Ų | 30 | 21.3 Ų | 21.3 | 21% | 0.21 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 177 | -38.2 | 0 | 0 | 0 | 0 | 112 | L19 T20 V21 T35 D57 | S17-L19 PolarHBondContact O-N 2.72Å; S17-T20 PolarHBondContact O-N 3.38Å; S17-V21 VanDerWaalsContact O-CB 3.31Å; S17-V21 WeakPolarHBondContact O-CB 3.3Å; S17-V21 VanDerWaalsContact O-CG2 3.26Å; S17-V21 WeakPolarHBondContact O-CG2 3.17Å; S17-V21 PolarHBondContact O-N 3.18Å; S17-T35 PolarHBondContact OG-OG1 2.87Å; S17-D57 WeakPolarHBondContact CA-OD2 3.25Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.44Å; S17-D57 PolarHBondContact OG-OD2 3.38Å |
| 18 | A | 96.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G15 K16 Q22 F28 A147 | G15-A18 PolarHBondContact O-N 3.27Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.2Å; A18-Q22 WeakPolarHBondContact O-CB 3.44Å; A18-Q22 PolarHBondContact O-N 3.26Å; A18-F28 HydrophobicContact CB-CD2 4.41Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; A18-A147 HydrophobicContact CB-CB 3.66Å |
| 19 | L | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.2 | -46.5 | 174.5 | -73.2 | 169.5 | 0 | 0 | 0 | 111.4 | G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156 | G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 2.9Å; K16-L19 VanDerWaalsContact O-N 3.15Å; S17-L19 PolarHBondContact O-N 2.72Å; L19-Q22 PolarHBondContact O-N 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 2.96Å; L19-V81 HydrophobicContact CD1-CG1 3.96Å; L19-V81 HydrophobicContact CD1-CG2 4.13Å; L19-V114 HydrophobicContact CD1-CG1 4.31Å; L19-N116 HydrophobicContact CD1-CB 4.31Å; L19-A147 HydrophobicContact CD2-CB 3.94Å; L19-A147 HydrophobicContact CG-CB 4.19Å; L19-V153 HydrophobicContact CD2-CG2 3.84Å; L19-L156 HydrophobicContact CD1-CD2 4.23Å |
| 20 | T | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | K16 S17 F23 V24 Y40 I55 D57 | K16-T20 PolarHBondContact O-N 2.99Å; K16-T20 PolarHBondContact O-OG1 3.1Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; S17-T20 PolarHBondContact O-N 3.38Å; T20-F23 PolarHBondContact O-N 3.46Å; T20-V24 HydrophobicContact CG2-CG2 4.38Å; T20-V24 WeakPolarHBondContact O-CB 3.34Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 3.43Å; T20-Y40 HydrophobicContact CG2-CD1 4.42Å; T20-Y40 HydrophobicContact CG2-CD2 3.31Å; T20-Y40 HydrophobicContact CG2-CE2 3.71Å; T20-Y40 HydrophobicContact CG2-CG 3.72Å; T20-I55 HydrophobicContact CG2-CB 4.29Å; T20-I55 HydrophobicContact CG2-CD1 4.39Å; T20-I55 HydrophobicContact CG2-CG2 3.74Å; T20-D57 HydrophobicContact CG2-CB 4.49Å |
| 21 | V | 95.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | S17 F23 V24 T25 I29 Y40 | S17-V21 VanDerWaalsContact O-CB 3.31Å; S17-V21 WeakPolarHBondContact O-CB 3.3Å; S17-V21 VanDerWaalsContact O-CG2 3.26Å; S17-V21 WeakPolarHBondContact O-CG2 3.17Å; S17-V21 PolarHBondContact O-N 3.18Å; V21-F23 PolarHBondContact O-N 3.14Å; V21-V24 PolarHBondContact O-N 3.46Å; V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.35Å; V21-T25 PolarHBondContact O-N 3.06Å; V21-T25 PolarHBondContact O-OG1 3.4Å; V21-I29 HydrophobicContact CG1-CD1 4.35Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å |
| 22 | Q | 97.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -38 | 178.6 | -179.4 | 70.8 | -47.4 | 0 | 0 | 112.2 | A18 L19 G26 T27 A147 K150 V153 | A18-Q22 WeakPolarHBondContact O-CB 3.44Å; A18-Q22 PolarHBondContact O-N 3.26Å; L19-Q22 PolarHBondContact O-N 3.22Å; Q22-G26 WeakPolarHBondContact O-CA 3.42Å; Q22-G26 PolarHBondContact O-N 2.96Å; Q22-G26 PolarHBondContact OE1-O 3.37Å; Q22-T27 WeakPolarHBondContact CA-O 3.27Å; Q22-T27 VanDerWaalsContact OE1-CA 3.29Å; Q22-T27 PolarHBondContact OE1-O 2.78Å; Q22-A147 WeakPolarHBondContact CG-O 3.38Å; Q22-A147 PolarHBondContact NE2-O 2.88Å; Q22-K150 HydrophobicContact CG-CB 4.32Å; Q22-K150 HydrophobicContact CG-CG 3.89Å; Q22-V153 HydrophobicContact CB-CG1 4.44Å; Q22-V153 HydrophobicContact CG-CG1 4.23Å; Q22-V153 HydrophobicContact CG-CG2 4.29Å |
| 23 | F | 98 | Very high | 91.1 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 173.5 | 176.6 | -115 | 0 | 0 | 0 | 112 | L19 T20 V21 K42 I44 L53 I55 V153 D154 F157 | L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 2.96Å; T20-F23 PolarHBondContact O-N 3.46Å; V21-F23 PolarHBondContact O-N 3.14Å; F23-K42 HydrophobicContact CD1-CD 4.05Å; F23-K42 HydrophobicContact CE1-CB 4.26Å; F23-K42 HydrophobicContact CE1-CD 3.73Å; F23-K42 HydrophobicContact CE1-CG 4.37Å; F23-K42 HydrophobicContact CE2-CD 4.42Å; F23-K42 HydrophobicContact CZ-CD 3.96Å; F23-K42 PolarHBondContact O-NZ 3.36Å; F23-I44 HydrophobicContact CE1-CG2 4.46Å; F23-I44 HydrophobicContact CE2-CG2 4.29Å; F23-I44 HydrophobicContact CZ-CD1 4.35Å; F23-I44 HydrophobicContact CZ-CG2 3.62Å; F23-L53 HydrophobicContact CE1-CD2 4.21Å; F23-L53 HydrophobicContact CZ-CD2 4.32Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.77Å; F23-V153 HydrophobicContact CB-CG1 3.82Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.23Å; F23-F157 HydrophobicContact CB-CD2 3.54Å; F23-F157 HydrophobicContact CB-CE2 3.37Å; F23-F157 HydrophobicContact CB-CG 4.43Å; F23-F157 HydrophobicContact CB-CZ 4.14Å; F23-F157 HydrophobicContact CD1-CB 4.18Å; F23-F157 AromaticContact CD1-CD1 4Å; F23-F157 HydrophobicContact CD1-CD1 4Å; F23-F157 AromaticContact CD1-CD2 3.65Å; F23-F157 HydrophobicContact CD1-CD2 3.65Å; F23-F157 HydrophobicContact CD1-CE1 4.29Å; F23-F157 AromaticContact CD1-CE2 3.98Å; F23-F157 HydrophobicContact CD1-CE2 3.98Å; F23-F157 AromaticContact CD1-CG 3.67Å; F23-F157 HydrophobicContact CD1-CG 3.67Å; F23-F157 HydrophobicContact CD1-CZ 4.28Å; F23-F157 HydrophobicContact CD2-CB 3.95Å; F23-F157 AromaticContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CD2 3.47Å; F23-F157 VanDerWaalsContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CE2 4.24Å; F23-F157 AromaticContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CE1-CB 3.76Å; F23-F157 HydrophobicContact CE1-CD1 4.04Å; F23-F157 HydrophobicContact CE1-CD2 4.13Å; F23-F157 AromaticContact CE1-CG 3.71Å; F23-F157 HydrophobicContact CE1-CG 3.71Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 AromaticContact CE2-CD2 3.98Å; F23-F157 HydrophobicContact CE2-CD2 3.98Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.24Å; F23-F157 HydrophobicContact CG-CD1 4.45Å; F23-F157 AromaticContact CG-CD2 3.26Å; F23-F157 HydrophobicContact CG-CD2 3.26Å; F23-F157 AromaticContact CG-CE2 3.62Å; F23-F157 HydrophobicContact CG-CE2 3.62Å; F23-F157 AromaticContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CZ 4.35Å; F23-F157 HydrophobicContact CZ-CB 3.37Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.83Å; F23-F157 HydrophobicContact CZ-CG 3.83Å |
| 24 | V | 96.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.7 | -45.2 | -172.9 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | T20 V21 Y40 I55 | T20-V24 HydrophobicContact CG2-CG2 4.38Å; T20-V24 WeakPolarHBondContact O-CB 3.34Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 3.43Å; V21-V24 PolarHBondContact O-N 3.46Å; V24-Y40 HydrophobicContact CB-CD1 4.39Å; V24-Y40 HydrophobicContact CG1-CD1 4.21Å; V24-Y40 HydrophobicContact CG2-CD1 4.16Å; V24-Y40 HydrophobicContact CG2-CG 4.2Å; V24-I55 HydrophobicContact CG2-CD1 4.3Å |
| 25 | T | 94.4 | Very high | 89.6 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -105.6 | -16.5 | -171.4 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | V21 T27 | V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.35Å; V21-T25 PolarHBondContact O-N 3.06Å; V21-T25 PolarHBondContact O-OG1 3.4Å; T25-T27 PolarHBondContact O-N 2.77Å; T25-T27 PolarHBondContact OG1-N 2.76Å; T25-T27 PolarHBondContact OG1-OG1 3.14Å |
| 26 | G | 93.8 | Very high | 88.8 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 69.8 | 15.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q22 | Q22-G26 WeakPolarHBondContact O-CA 3.42Å; Q22-G26 PolarHBondContact O-N 2.96Å; Q22-G26 PolarHBondContact OE1-O 3.37Å |
| 27 | T | 90.9 | Very high | 88.1 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | trans | -119.7 | 141.8 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | Q22 T25 | Q22-T27 WeakPolarHBondContact CA-O 3.27Å; Q22-T27 VanDerWaalsContact OE1-CA 3.29Å; Q22-T27 PolarHBondContact OE1-O 2.78Å; T25-T27 PolarHBondContact O-N 2.77Å; T25-T27 PolarHBondContact OG1-N 2.76Å; T25-T27 PolarHBondContact OG1-OG1 3.14Å | ||
| 28 | F | 89.8 | Confident | 87.9 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | trans | -102.8 | 125 | 170.9 | -179.8 | -105.2 | 0 | 0 | 0 | 109.7 | A18 E30 A147 K148 | A18-F28 HydrophobicContact CB-CD2 4.41Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; F28-E30 HydrophobicContact CD1-CG 4.11Å; F28-E30 HydrophobicContact CE1-CG 3.65Å; F28-A147 HydrophobicContact CD2-CB 4.09Å; F28-A147 HydrophobicContact CE2-CB 4.06Å; F28-K148 HydrophobicContact CD1-CB 4.3Å; F28-K148 HydrophobicContact CD1-CG 4.04Å; F28-K148 HydrophobicContact CD2-CB 4.36Å; F28-K148 HydrophobicContact CE1-CB 4.03Å; F28-K148 HydrophobicContact CE1-CD 4.4Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.11Å; F28-K148 HydrophobicContact CG-CB 4.44Å; F28-K148 HydrophobicContact CZ-CB 3.95Å; F28-K148 HydrophobicContact CZ-CG 4.24Å | ||
| 29 | I | 85 | Confident | 87.7 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 56% | 0.559 | 38% | 0.381 | S | S | * | . | trans | -107 | 116.8 | 177.9 | -58.1 | 175.3 | 0 | 0 | 0 | 107.7 | V21 K31 | V21-I29 HydrophobicContact CG1-CD1 4.35Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 HydrophobicContact CG2-CB 4.23Å; I29-K31 PolarHBondContact O-N 3.1Å | ||
| 30 | E | 78.8 | Confident | 87.6 | Confident | 159 Ų | 159 | 76.8 Ų | 76.8 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | trans | -70 | -26.9 | -178.8 | -78.4 | -174.6 | 172.1 | 0 | 0 | 113.4 | F28 Y32 | F28-E30 HydrophobicContact CD1-CG 4.11Å; F28-E30 HydrophobicContact CE1-CG 3.65Å; E30-Y32 PolarHBondContact O-N 3.2Å | ||
| 31 | K | 79.5 | Confident | 87.6 | Confident | 171 Ų | 171 | 83.3 Ų | 83.3 | 74% | 0.743 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -70.7 | 121 | -178.8 | -171.3 | -178.4 | 176.5 | -168.8 | 0 | 110 | I29 | I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 HydrophobicContact CG2-CB 4.23Å; I29-K31 PolarHBondContact O-N 3.1Å |
| 32 | Y | 69.4 | Low | 87.7 | Confident | 143 Ų | 143 | 84.8 Ų | 84.8 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | trans | -82.4 | 118.3 | 171.9 | -176.3 | -109.9 | 0 | 0 | 0 | 110.4 | E30 P34 | E30-Y32 PolarHBondContact O-N 3.2Å; Y32-P34 HydrophobicContact CD1-CG 4.35Å; Y32-P34 HydrophobicContact CE1-CB 4.35Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å | ||
| 33 | D | 75.7 | Confident | 87.7 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 65% | 0.652 | 45% | 0.446 | S | S | * | . | trans | -115.7 | 120.3 | 165.1 | -161.6 | -0.8 | 0 | 0 | 0 | 107.7 | T35 | D33-T35 PolarHBondContact O-N 3.35Å; D33-T35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | P | 78.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 91.2 Ų | 91.2 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | trans | -59.2 | 116.3 | -179.2 | -23 | 32.3 | 0 | 0 | 0 | 112.5 | Y32 | Y32-P34 HydrophobicContact CD1-CG 4.35Å; Y32-P34 HydrophobicContact CE1-CB 4.35Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å | ||
| 35 | T | 78.9 | Confident | 87.6 | Confident | 24 Ų | 24 | 95.9 Ų | 95.9 | 15% | 0.147 | 47% | 0.471 | C | S | . | . | trans | -70.9 | 142.5 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 2.87Å; D33-T35 PolarHBondContact O-N 3.35Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.47Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.44Å; T35-A59 VanDerWaalsContact O-CA 3.3Å; T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.34Å | ||
| 36 | I | 78.4 | Confident | 87.7 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -95 | -67.5 | 165.8 | -61.2 | 176.1 | 0 | 0 | 0 | 108.5 | A59 F64 | I36-A59 VanDerWaalsContact O-CB 3.32Å; I36-A59 WeakPolarHBondContact O-CB 3.42Å; I36-A59 PolarHBondContact O-N 3.23Å; I36-F64 HydrophobicContact CG1-CZ 4.11Å; I36-F64 HydrophobicContact CG2-CD1 4.36Å; I36-F64 HydrophobicContact CG2-CE1 3.87Å; I36-F64 HydrophobicContact CG2-CZ 3.96Å |
| 37 | E | 82.1 | Confident | 87.7 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 140.6 | 166.9 | 61.9 | 179.6 | -174.2 | 0 | 0 | 108.2 | L56 D57 Y71 | E37-L56 HydrophobicContact CB-CD1 4.2Å; E37-D57 CarbonylContact C-O 3.58Å; E37-D57 VanDerWaalsContact CA-O 3.32Å; E37-D57 WeakPolarHBondContact CA-O 3.48Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.37Å; E37-Y71 PolarHBondContact OE2-OH 3.03Å |
| 38 | D | 91.3 | Very high | 87.8 | Confident | 68 Ų | 68 | 96.3 Ų | 96.3 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.4 | 174.1 | -74.9 | -53.6 | 0 | 0 | 0 | 110.1 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.47Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.44Å; D38-Y40 HydrophobicContact CB-CD2 4.26Å; D38-Y40 HydrophobicContact CB-CE2 3.42Å; D38-Y40 VanDerWaalsContact CB-CE2 3.42Å; D38-D57 HydrophobicContact CB-CB 4.42Å; D38-D57 PolarHBondContact N-O 2.92Å; D38-D57 PolarHBondContact O-N 3.45Å |
| 39 | F | 93.2 | Very high | 87.9 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.7 | 178 | -70 | -87 | 0 | 0 | 0 | 110.4 | I55 L56 | F39-I55 WeakPolarHBondContact CA-O 3.43Å; F39-L56 HydrophobicContact CD1-CB 4.43Å; F39-L56 HydrophobicContact CD1-CD1 4.05Å; F39-L56 HydrophobicContact CD2-CD1 4.43Å; F39-L56 HydrophobicContact CE1-CB 4.23Å; F39-L56 HydrophobicContact CE1-CD1 3.65Å; F39-L56 HydrophobicContact CE1-CD2 4.33Å; F39-L56 HydrophobicContact CE1-CG 4.28Å; F39-L56 HydrophobicContact CE2-CD1 4.04Å; F39-L56 HydrophobicContact CG-CD1 4.44Å; F39-L56 HydrophobicContact CZ-CD1 3.64Å; F39-L56 HydrophobicContact CZ-CD2 4.49Å |
| 40 | Y | 96.2 | Very high | 88.4 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 23% | 0.227 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.2 | 175.3 | -58.4 | -95.1 | 0 | 0 | 0 | 110.2 | T20 V21 V24 D38 E54 I55 D57 | T20-Y40 HydrophobicContact CG2-CD1 4.42Å; T20-Y40 HydrophobicContact CG2-CD2 3.31Å; T20-Y40 HydrophobicContact CG2-CE2 3.71Å; T20-Y40 HydrophobicContact CG2-CG 3.72Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å; V24-Y40 HydrophobicContact CB-CD1 4.39Å; V24-Y40 HydrophobicContact CG1-CD1 4.21Å; V24-Y40 HydrophobicContact CG2-CD1 4.16Å; V24-Y40 HydrophobicContact CG2-CG 4.2Å; D38-Y40 HydrophobicContact CB-CD2 4.26Å; D38-Y40 HydrophobicContact CB-CE2 3.42Å; D38-Y40 VanDerWaalsContact CB-CE2 3.42Å; Y40-E54 CarbonylContact O-C 3.43Å; Y40-E54 WeakPolarHBondContact O-CA 3.44Å; Y40-I55 PolarHBondContact N-O 3.13Å; Y40-I55 PolarHBondContact O-N 3.26Å; Y40-D57 HydrophobicContact CD2-CB 4.46Å; Y40-D57 HydrophobicContact CE2-CB 4.07Å |
| 41 | R | 97.1 | Very high | 89.3 | Confident | 137 Ų | 137 | 86.4 Ų | 86.4 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.3 | 175.5 | -168.3 | 172.4 | -177.6 | -100.5 | 2.1 | 109.6 | E3 V52 L53 | E3-R41 IonicContact OE1-NH2 3.7Å; E3-R41 PolarHBondContact OE1-NH2 3.22Å; E3-R41 VanDerWaalsContact OE1-NH2 3.14Å; R41-V52 HydrophobicContact CG-CG1 3.7Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.35Å |
| 42 | K | 97.3 | Very high | 90.1 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 133.4 | 177.1 | -177.5 | 169.5 | 172 | -165.1 | 0 | 111.2 | F23 I44 L53 | F23-K42 HydrophobicContact CD1-CD 4.05Å; F23-K42 HydrophobicContact CE1-CB 4.26Å; F23-K42 HydrophobicContact CE1-CD 3.73Å; F23-K42 HydrophobicContact CE1-CG 4.37Å; F23-K42 HydrophobicContact CE2-CD 4.42Å; F23-K42 HydrophobicContact CZ-CD 3.96Å; F23-K42 PolarHBondContact O-NZ 3.36Å; K42-I44 HydrophobicContact CD-CG2 4.22Å; K42-I44 HydrophobicContact CG-CG2 3.97Å; K42-L53 PolarHBondContact N-O 3.05Å; K42-L53 PolarHBondContact O-N 2.9Å |
| 43 | E | 97.8 | Very high | 91.5 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 132.5 | 168 | -60.9 | -172.6 | -179.6 | 0 | 0 | 109.3 | M1 S51 V52 | M1-E43 HydrophobicContact SD-CG 4.12Å; E43-S51 WeakPolarHBondContact CA-O 3.42Å; E43-V52 HydrophobicContact CG-CG2 4.36Å |
| 44 | I | 96.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 164.3 | 175.4 | 65.8 | 173.8 | 0 | 0 | 0 | 110.8 | F23 K42 V46 S51 L53 V161 | F23-I44 HydrophobicContact CE1-CG2 4.46Å; F23-I44 HydrophobicContact CE2-CG2 4.29Å; F23-I44 HydrophobicContact CZ-CD1 4.35Å; F23-I44 HydrophobicContact CZ-CG2 3.62Å; K42-I44 HydrophobicContact CD-CG2 4.22Å; K42-I44 HydrophobicContact CG-CG2 3.97Å; I44-V46 HydrophobicContact CD1-CG2 3.42Å; I44-V46 VanDerWaalsContact CD1-CG2 3.42Å; I44-V46 HydrophobicContact CG1-CG2 3.87Å; I44-S51 PolarHBondContact N-O 3.4Å; I44-S51 PolarHBondContact O-N 3.47Å; I44-S51 VanDerWaalsContact O-O 3.04Å; I44-L53 HydrophobicContact CD1-CD1 3.4Å; I44-L53 VanDerWaalsContact CD1-CD1 3.4Å; I44-L53 HydrophobicContact CD1-CD2 3.9Å; I44-L53 HydrophobicContact CD1-CG 4.28Å; I44-L53 HydrophobicContact CG1-CD1 3.62Å; I44-V161 HydrophobicContact CD1-CG2 4.26Å |
| 45 | E | 95.8 | Very high | 93.5 | Very high | 141 Ų | 141 | 64.4 Ų | 64.4 | 66% | 0.659 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.1 | 168.2 | -169.4 | 178 | 127 | 0 | 0 | 108.6 | S48 | E45-S48 WeakPolarHBondContact OE1-CA 3.49Å |
| 46 | V | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.8 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | I44 S48 S49 A158 V161 R162 | I44-V46 HydrophobicContact CD1-CG2 3.42Å; I44-V46 VanDerWaalsContact CD1-CG2 3.42Å; I44-V46 HydrophobicContact CG1-CG2 3.87Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 2.96Å; V46-S49 PolarHBondContact N-O 3.02Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.47Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.35Å; V46-S49 PolarHBondContact O-N 3.22Å; V46-A158 HydrophobicContact CG2-CB 4.19Å; V46-V161 HydrophobicContact CB-CB 4.49Å; V46-V161 HydrophobicContact CB-CG1 4.1Å; V46-V161 HydrophobicContact CG1-CB 4.29Å; V46-V161 HydrophobicContact CG1-CG1 4.14Å; V46-V161 HydrophobicContact CG2-CB 4.04Å; V46-V161 HydrophobicContact CG2-CG1 4.02Å; V46-V161 HydrophobicContact CG2-CG2 4.25Å; V46-R162 HydrophobicContact CG1-CG 3.78Å |
| 47 | D | 93.6 | Very high | 95 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47.9 | -178.9 | -50 | -25.8 | 0 | 0 | 0 | 112.2 | S49 R162 | D47-S49 PolarHBondContact O-N 3.39Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-R162 IonicContact OD1-CZ 3.66Å; D47-R162 IonicContact OD1-NE 2.96Å; D47-R162 PolarHBondContact OD1-NE 3.31Å; D47-R162 IonicContact OD1-NH2 3.46Å; D47-R162 PolarHBondContact OD1-NH2 2.95Å; D47-R162 WeakPolarHBondContact OD2-CD 3.06Å; D47-R162 WeakPolarHBondContact OD2-CG 3.47Å; D47-R162 IonicContact OD2-NE 3.22Å; D47-R162 PolarHBondContact OD2-NE 3.47Å |
| 48 | S | 92.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 55.9 Ų | 55.9 | 69% | 0.685 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 15.2 | -176.2 | -57.1 | 0 | 0 | 0 | 0 | 115.4 | E45 V46 | E45-S48 WeakPolarHBondContact OE1-CA 3.49Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 2.96Å |
| 49 | S | 93.7 | Very high | 95 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.5 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | V46 D47 S51 | V46-S49 PolarHBondContact N-O 3.02Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.47Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.35Å; V46-S49 PolarHBondContact O-N 3.22Å; D47-S49 PolarHBondContact O-N 3.39Å; D47-S49 VanDerWaalsContact O-N 3.1Å; S49-S51 PolarHBondContact O-N 2.82Å; S49-S51 PolarHBondContact O-OG 3.38Å |
| 50 | P | 95.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 47 Ų | 47 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.6 | 177.9 | 26.2 | -33.2 | 0 | 0 | 0 | 110.7 | M1 | M1-P50 HydrophobicContact CE-CB 3.53Å; M1-P50 HydrophobicContact CG-CB 4.03Å; M1-P50 WeakPolarHBondContact CG-O 3.47Å |
| 51 | S | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.8 | -171.1 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | K2 Y4 E43 I44 S49 | K2-S51 WeakPolarHBondContact O-CA 3.48Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.32Å; E43-S51 WeakPolarHBondContact CA-O 3.42Å; I44-S51 PolarHBondContact N-O 3.4Å; I44-S51 PolarHBondContact O-N 3.47Å; I44-S51 VanDerWaalsContact O-O 3.04Å; S49-S51 PolarHBondContact O-N 2.82Å; S49-S51 PolarHBondContact O-OG 3.38Å |
| 52 | V | 97.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.7 | 171.6 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | M1 K2 E3 Y4 R41 E43 | M1-V52 HydrophobicContact CB-CG2 4.23Å; M1-V52 HydrophobicContact CG-CG2 3.82Å; M1-V52 HydrophobicContact SD-CG2 3.32Å; M1-V52 WeakPolarHBondContact SD-CG2 3.32Å; K2-V52 PolarHBondContact O-N 3.3Å; E3-V52 CarbonylContact C-O 3.58Å; E3-V52 WeakPolarHBondContact CA-O 3.45Å; E3-V52 HydrophobicContact CG-CB 4.09Å; E3-V52 HydrophobicContact CG-CG2 4.33Å; Y4-V52 PolarHBondContact N-O 2.81Å; R41-V52 HydrophobicContact CG-CG1 3.7Å; E43-V52 HydrophobicContact CG-CG2 4.36Å |
| 53 | L | 97.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.2 | 170.5 | -82.6 | 60.8 | 0 | 0 | 0 | 109.1 | Y4 V6 F23 R41 K42 I44 I55 F157 V161 | Y4-L53 WeakPolarHBondContact O-CA 3.5Å; V6-L53 HydrophobicContact CG2-CG 4.46Å; F23-L53 HydrophobicContact CE1-CD2 4.21Å; F23-L53 HydrophobicContact CZ-CD2 4.32Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.35Å; K42-L53 PolarHBondContact N-O 3.05Å; K42-L53 PolarHBondContact O-N 2.9Å; I44-L53 HydrophobicContact CD1-CD1 3.4Å; I44-L53 VanDerWaalsContact CD1-CD1 3.4Å; I44-L53 HydrophobicContact CD1-CD2 3.9Å; I44-L53 HydrophobicContact CD1-CG 4.28Å; I44-L53 HydrophobicContact CG1-CD1 3.62Å; L53-I55 HydrophobicContact CB-CD1 4.48Å; L53-I55 HydrophobicContact CB-CG1 4.1Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; L53-F157 HydrophobicContact CD2-CD1 4.19Å; L53-V161 HydrophobicContact CD1-CG2 3.54Å; L53-V161 HydrophobicContact CD2-CG2 4.06Å; L53-V161 HydrophobicContact CG-CG2 4Å |
| 54 | E | 97.9 | Very high | 88.2 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.5 | 162.3 | -61.5 | -173.2 | 154.8 | 0 | 0 | 107.2 | Y4 K5 V6 Y40 | Y4-E54 PolarHBondContact O-N 2.88Å; K5-E54 CarbonylContact C-O 3.52Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CE-OE2 3.49Å; K5-E54 HydrophobicContact CG-CB 4.31Å; K5-E54 WeakPolarHBondContact CG-OE2 3.08Å; V6-E54 PolarHBondContact N-O 3.13Å; Y40-E54 CarbonylContact O-C 3.43Å; Y40-E54 WeakPolarHBondContact O-CA 3.44Å |
| 55 | I | 98.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.8 | -175.8 | -53.4 | 165.7 | 0 | 0 | 0 | 108 | V6 V8 T20 F23 V24 F39 Y40 L53 F157 | V6-I55 WeakPolarHBondContact O-CA 3.37Å; V8-I55 HydrophobicContact CG2-CG2 3.73Å; T20-I55 HydrophobicContact CG2-CB 4.29Å; T20-I55 HydrophobicContact CG2-CD1 4.39Å; T20-I55 HydrophobicContact CG2-CG2 3.74Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.77Å; V24-I55 HydrophobicContact CG2-CD1 4.3Å; F39-I55 WeakPolarHBondContact CA-O 3.43Å; Y40-I55 PolarHBondContact N-O 3.13Å; Y40-I55 PolarHBondContact O-N 3.26Å; L53-I55 HydrophobicContact CB-CD1 4.48Å; L53-I55 HydrophobicContact CB-CG1 4.1Å; I55-F157 HydrophobicContact CD1-CD1 3.88Å; I55-F157 HydrophobicContact CD1-CE1 3.65Å; I55-F157 HydrophobicContact CD1-CZ 4.39Å; I55-F157 HydrophobicContact CG1-CD1 4.47Å; I55-F157 HydrophobicContact CG1-CE1 4.24Å; I55-F157 HydrophobicContact CG2-CE1 4.23Å |
| 56 | L | 96.6 | Very high | 85.6 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.8 | 168.3 | 175.2 | 56.8 | 0 | 0 | 0 | 108.9 | V6 V7 V8 E37 F39 T58 Y71 | V6-L56 PolarHBondContact O-N 3.19Å; V7-L56 HydrophobicContact CG1-CD2 4.25Å; V7-L56 HydrophobicContact CG1-CG 4.38Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.34Å; V8-L56 PolarHBondContact N-O 3.03Å; E37-L56 HydrophobicContact CB-CD1 4.2Å; F39-L56 HydrophobicContact CD1-CB 4.43Å; F39-L56 HydrophobicContact CD1-CD1 4.05Å; F39-L56 HydrophobicContact CD2-CD1 4.43Å; F39-L56 HydrophobicContact CE1-CB 4.23Å; F39-L56 HydrophobicContact CE1-CD1 3.65Å; F39-L56 HydrophobicContact CE1-CD2 4.33Å; F39-L56 HydrophobicContact CE1-CG 4.28Å; F39-L56 HydrophobicContact CE2-CD1 4.04Å; F39-L56 HydrophobicContact CG-CD1 4.44Å; F39-L56 HydrophobicContact CZ-CD1 3.64Å; F39-L56 HydrophobicContact CZ-CD2 4.49Å; L56-T58 HydrophobicContact CD2-CG2 4.38Å; L56-T58 HydrophobicContact CG-CG2 3.97Å; L56-Y71 HydrophobicContact CD2-CD1 3.44Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.44Å; L56-Y71 HydrophobicContact CD2-CD2 4.4Å; L56-Y71 HydrophobicContact CD2-CE1 4.09Å; L56-Y71 HydrophobicContact CD2-CG 3.61Å |
| 57 | D | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.6 | 168.3 | -177.1 | 36.1 | 0 | 0 | 0 | 109.1 | K16 S17 T20 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.27Å; K16-D57 WeakPolarHBondContact CB-OD1 3.44Å; S17-D57 WeakPolarHBondContact CA-OD2 3.25Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.44Å; S17-D57 PolarHBondContact OG-OD2 3.38Å; T20-D57 HydrophobicContact CG2-CB 4.49Å; E37-D57 CarbonylContact C-O 3.58Å; E37-D57 VanDerWaalsContact CA-O 3.32Å; E37-D57 WeakPolarHBondContact CA-O 3.48Å; D38-D57 HydrophobicContact CB-CB 4.42Å; D38-D57 PolarHBondContact N-O 2.92Å; D38-D57 PolarHBondContact O-N 3.45Å; Y40-D57 HydrophobicContact CD2-CB 4.46Å; Y40-D57 HydrophobicContact CE2-CB 4.07Å |
| 58 | T | 89 | Confident | 84.4 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 157 | -173.6 | 77.6 | 0 | 0 | 0 | 0 | 112.2 | V7 V8 L9 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 3Å; V8-T58 VanDerWaalsContact O-OG1 3.14Å; L9-T58 HydrophobicContact CD2-CG2 3.97Å; K16-T58 WeakPolarHBondContact CE-O 3.34Å; L56-T58 HydrophobicContact CD2-CG2 4.38Å; L56-T58 HydrophobicContact CG-CG2 3.97Å; T58-G60 PolarHBondContact O-N 3.03Å; T58-Y71 HydrophobicContact CG2-CD2 3.88Å; T58-Y71 HydrophobicContact CG2-CE2 4.25Å |
| 59 | A | 84.4 | Confident | 84.2 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -53.8 | 142.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T35 I36 F64 | T35-A59 VanDerWaalsContact O-CA 3.3Å; T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.34Å; I36-A59 VanDerWaalsContact O-CB 3.32Å; I36-A59 WeakPolarHBondContact O-CB 3.42Å; I36-A59 PolarHBondContact O-N 3.23Å; A59-F64 HydrophobicContact CB-CB 4.42Å; A59-F64 HydrophobicContact CB-CD2 3.45Å; A59-F64 VanDerWaalsContact CB-CD2 3.45Å; A59-F64 HydrophobicContact CB-CE2 4.03Å; A59-F64 HydrophobicContact CB-CG 4.2Å | ||
| 60 | G | 71 | Confident | 84 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -94.2 | 11.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G10 S11 G12 K16 T58 | G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.47Å; S11-G60 CarbonylContact C-O 3.59Å; G12-G60 PolarHBondContact N-O 2.87Å; K16-G60 VanDerWaalsContact NZ-CA 3.27Å; T58-G60 PolarHBondContact O-N 3.03Å | ||
| 61 | T | 70.1 | Confident | 83.8 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -100.6 | 146.6 | -176.6 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | Q63 F64 | T61-Q63 PolarHBondContact O-N 3.35Å; T61-F64 PolarHBondContact O-N 3.46Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.21Å |
| 62 | E | 66.4 | Low | 83.7 | Confident | 129 Ų | 129 | 44.6 Ų | 44.6 | 60% | 0.603 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -66.3 | -16.3 | 178.1 | -70.2 | -63.2 | 111.7 | 0 | 0 | 113.2 | F64 A65 R68 | E62-F64 PolarHBondContact O-N 3.06Å; E62-F64 VanDerWaalsContact O-N 3.14Å; E62-A65 VanDerWaalsContact O-CB 3.23Å; E62-A65 WeakPolarHBondContact O-CB 3.3Å; E62-A65 PolarHBondContact O-N 2.84Å; E62-A65 VanDerWaalsContact O-N 3.08Å; E62-R68 IonicContact OE1-CZ 3.63Å; E62-R68 IonicContact OE1-NH1 3.14Å; E62-R68 PolarHBondContact OE1-NH1 3.12Å; E62-R68 IonicContact OE1-NH2 2.82Å; E62-R68 PolarHBondContact OE1-NH2 3.46Å |
| 63 | Q | 65.4 | Low | 83.4 | Confident | 164 Ų | 164 | 51.4 Ų | 51.4 | 77% | 0.766 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.8 | 179 | -68.6 | 164.6 | -10.7 | 0 | 0 | 113.3 | T61 | T61-Q63 PolarHBondContact O-N 3.35Š|
| 64 | F | 66.8 | Low | 83.2 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 25% | 0.254 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -108.9 | 17.8 | 178.3 | -57 | -76.7 | 0 | 0 | 0 | 113 | I36 A59 T61 E62 S66 M67 R68 | I36-F64 HydrophobicContact CG1-CZ 4.11Å; I36-F64 HydrophobicContact CG2-CD1 4.36Å; I36-F64 HydrophobicContact CG2-CE1 3.87Å; I36-F64 HydrophobicContact CG2-CZ 3.96Å; A59-F64 HydrophobicContact CB-CB 4.42Å; A59-F64 HydrophobicContact CB-CD2 3.45Å; A59-F64 VanDerWaalsContact CB-CD2 3.45Å; A59-F64 HydrophobicContact CB-CE2 4.03Å; A59-F64 HydrophobicContact CB-CG 4.2Å; T61-F64 PolarHBondContact O-N 3.46Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.21Å; E62-F64 PolarHBondContact O-N 3.06Å; E62-F64 VanDerWaalsContact O-N 3.14Å; F64-S66 PolarHBondContact O-N 2.77Å; F64-S66 VanDerWaalsContact O-N 3.13Å; F64-M67 HydrophobicContact CD1-SD 4.23Å; F64-M67 PolarHBondContact O-N 3.27Å; F64-R68 PolarHBondContact O-N 3.46Å |
| 65 | A | 65.6 | Low | 83.1 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.4 | -29 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E62 M67 R68 | E62-A65 VanDerWaalsContact O-CB 3.23Å; E62-A65 WeakPolarHBondContact O-CB 3.3Å; E62-A65 PolarHBondContact O-N 2.84Å; E62-A65 VanDerWaalsContact O-N 3.08Å; A65-M67 VanDerWaalsContact C-N 3.32Å; A65-M67 PolarHBondContact O-N 2.9Å; A65-R68 VanDerWaalsContact O-CB 3.27Å; A65-R68 WeakPolarHBondContact O-CB 3.38Å; A65-R68 PolarHBondContact O-N 2.88Å |
| 66 | S | 71.8 | Confident | 83 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 74% | 0.741 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.2 | -28.7 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | F64 | F64-S66 PolarHBondContact O-N 2.77Å; F64-S66 VanDerWaalsContact O-N 3.13Å |
| 67 | M | 79.3 | Confident | 83 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 41% | 0.414 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -82.9 | -22.2 | 176.4 | -61.7 | 179.7 | 171.4 | 0 | 0 | 112 | F64 A65 D69 L70 Y71 | F64-M67 HydrophobicContact CD1-SD 4.23Å; F64-M67 PolarHBondContact O-N 3.27Å; A65-M67 VanDerWaalsContact C-N 3.32Å; A65-M67 PolarHBondContact O-N 2.9Å; M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.46Å; M67-L70 WeakPolarHBondContact O-CB 2.95Å; M67-L70 PolarHBondContact O-N 3.47Å; M67-Y71 HydrophobicContact CB-CD2 4.47Å; M67-Y71 HydrophobicContact CB-CE1 4.28Å; M67-Y71 HydrophobicContact CB-CE2 3.65Å; M67-Y71 WeakPolarHBondContact CB-OH 3.28Å; M67-Y71 WeakPolarHBondContact O-CD2 3.42Å; M67-Y71 PolarHBondContact O-N 2.95Å; M67-Y71 VanDerWaalsContact O-N 3.14Å; M67-Y71 PolarHBondContact SD-OH 3.24Å |
| 68 | R | 83.8 | Confident | 83.2 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -41.1 | -177.6 | -163.1 | -177.3 | -68.7 | 169 | 1.5 | 112.7 | L9 E62 F64 A65 L70 Y71 I72 Q99 | L9-R68 HydrophobicContact CD2-CG 4.38Å; E62-R68 IonicContact OE1-CZ 3.63Å; E62-R68 IonicContact OE1-NH1 3.14Å; E62-R68 PolarHBondContact OE1-NH1 3.12Å; E62-R68 IonicContact OE1-NH2 2.82Å; E62-R68 PolarHBondContact OE1-NH2 3.46Å; F64-R68 PolarHBondContact O-N 3.46Å; A65-R68 VanDerWaalsContact O-CB 3.27Å; A65-R68 WeakPolarHBondContact O-CB 3.38Å; A65-R68 PolarHBondContact O-N 2.88Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.44Å; R68-Y71 PolarHBondContact O-N 3.08Å; R68-I72 HydrophobicContact CG-CD1 3.91Å; R68-I72 HydrophobicContact CG-CG1 4.46Å; R68-I72 WeakPolarHBondContact O-CB 3.47Å; R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.87Å; R68-Q99 VanDerWaalsContact CD-OE1 3.23Å |
| 69 | D | 89.1 | Confident | 83.7 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 177.4 | -82.1 | 7.1 | 0 | 0 | 0 | 112.2 | M67 K73 Q99 R102 V103 | M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.46Å; D69-K73 WeakPolarHBondContact O-CB 3.26Å; D69-K73 PolarHBondContact O-N 3.37Å; D69-Q99 PolarHBondContact OD1-NE2 2.95Å; D69-R102 IonicContact OD1-NH2 3.69Å; D69-R102 IonicContact OD2-NH2 2.75Å; D69-V103 HydrophobicContact CB-CG2 4.36Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.4Å |
| 70 | L | 89.6 | Confident | 84.3 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.7 | -45 | 176.6 | -177.9 | 63.5 | 0 | 0 | 0 | 111.2 | M67 R68 I72 K73 N74 | M67-L70 WeakPolarHBondContact O-CB 2.95Å; M67-L70 PolarHBondContact O-N 3.47Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.44Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.12Å; L70-K73 PolarHBondContact O-N 2.98Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.07Å; L70-N74 PolarHBondContact O-N 3.01Å; L70-N74 PolarHBondContact O-ND2 3.4Å |
| 71 | Y | 91.1 | Very high | 85.6 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.078 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.8 | -52.4 | -33.6 | 0 | 0 | 0 | 111.1 | E37 L56 T58 M67 R68 K73 N74 G75 | E37-Y71 WeakPolarHBondContact OE2-CE1 3.37Å; E37-Y71 PolarHBondContact OE2-OH 3.03Å; L56-Y71 HydrophobicContact CD2-CD1 3.44Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.44Å; L56-Y71 HydrophobicContact CD2-CD2 4.4Å; L56-Y71 HydrophobicContact CD2-CE1 4.09Å; L56-Y71 HydrophobicContact CD2-CG 3.61Å; T58-Y71 HydrophobicContact CG2-CD2 3.88Å; T58-Y71 HydrophobicContact CG2-CE2 4.25Å; M67-Y71 HydrophobicContact CB-CD2 4.47Å; M67-Y71 HydrophobicContact CB-CE1 4.28Å; M67-Y71 HydrophobicContact CB-CE2 3.65Å; M67-Y71 WeakPolarHBondContact CB-OH 3.28Å; M67-Y71 WeakPolarHBondContact O-CD2 3.42Å; M67-Y71 PolarHBondContact O-N 2.95Å; M67-Y71 VanDerWaalsContact O-N 3.14Å; M67-Y71 PolarHBondContact SD-OH 3.24Å; R68-Y71 PolarHBondContact O-N 3.08Å; Y71-K73 PolarHBondContact O-N 2.97Å; Y71-N74 PolarHBondContact O-N 3.4Å; Y71-G75 PolarHBondContact O-N 2.98Å |
| 72 | I | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.6 | -66.2 | 167.6 | 0 | 0 | 0 | 110.9 | L9 R68 L70 N74 F78 Q99 I100 V103 K104 | L9-I72 HydrophobicContact CD1-CG1 4.22Å; R68-I72 HydrophobicContact CG-CD1 3.91Å; R68-I72 HydrophobicContact CG-CG1 4.46Å; R68-I72 WeakPolarHBondContact O-CB 3.47Å; R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.87Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.12Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 3.05Å; I72-F78 HydrophobicContact CB-CE1 4.27Å; I72-F78 HydrophobicContact CG1-CE1 4.17Å; I72-F78 HydrophobicContact CG2-CE1 4.22Å; I72-F78 HydrophobicContact CG2-CZ 4.08Å; I72-F78 WeakPolarHBondContact O-CZ 3.42Å; I72-Q99 HydrophobicContact CD1-CB 4.46Å; I72-Q99 HydrophobicContact CD1-CG 3.88Å; I72-I100 HydrophobicContact CD1-CG1 3.91Å; I72-I100 HydrophobicContact CG1-CG1 4.07Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.35Å; I72-I100 HydrophobicContact CG2-CG2 4.38Å; I72-V103 HydrophobicContact CB-CB 4.32Å; I72-V103 HydrophobicContact CB-CG1 4.05Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.3Å; I72-K104 HydrophobicContact CG2-CG 4.28Å; I72-K104 WeakPolarHBondContact O-CE 3.4Å; I72-K104 PolarHBondContact O-NZ 2.83Å |
| 73 | K | 92.4 | Very high | 88.5 | Confident | 145 Ų | 145 | 46.8 Ų | 46.8 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -57.8 | -42.7 | 178.6 | -174.2 | 176.3 | 179.2 | -178.1 | 0 | 111.4 | D69 L70 Y71 V103 K104 | D69-K73 WeakPolarHBondContact O-CB 3.26Å; D69-K73 PolarHBondContact O-N 3.37Å; L70-K73 PolarHBondContact O-N 2.98Å; Y71-K73 PolarHBondContact O-N 2.97Å; K73-V103 HydrophobicContact CB-CG1 4.12Å; K73-K104 PolarHBondContact O-NZ 2.92Å |
| 74 | N | 92.4 | Very high | 90.1 | Very high | 93 Ų | 93 | 39 Ų | 39 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -87.5 | -24.8 | -174.3 | -64.6 | -24.3 | 0 | 0 | 0 | 114.9 | L70 Y71 I72 | L70-N74 WeakPolarHBondContact CD1-ND2 3.07Å; L70-N74 PolarHBondContact O-N 3.01Å; L70-N74 PolarHBondContact O-ND2 3.4Å; Y71-N74 PolarHBondContact O-N 3.4Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 3.05Å |
| 75 | G | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -70.8 | 142.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y71 K104 | Y71-G75 PolarHBondContact O-N 2.98Å; G75-K104 WeakPolarHBondContact O-CE 3.27Å; G75-K104 PolarHBondContact O-NZ 2.93Å | ||
| 76 | Q | 95.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 42% | 0.416 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -94.7 | -31.7 | 177 | -68.4 | 169.6 | -61.6 | 0 | 0 | 112.4 | K5 P110 M164 | K5-Q76 HydrophobicContact CB-CB 4.49Å; K5-Q76 HydrophobicContact CB-CG 4.28Å; K5-Q76 WeakPolarHBondContact O-CA 3.49Å; K5-Q76 WeakPolarHBondContact O-CB 3.45Å; K5-Q76 PolarHBondContact O-N 2.97Å; Q76-P110 WeakPolarHBondContact O-CG 3.17Å; Q76-M164 HydrophobicContact CB-CG 4.5Å; Q76-M164 HydrophobicContact CB-SD 3.61Å |
| 77 | G | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K5 V6 V7 P110 M164 | K5-G77 PolarHBondContact O-N 3.02Å; K5-G77 VanDerWaalsContact O-N 3.1Å; V6-G77 WeakPolarHBondContact CA-O 3.29Å; V7-G77 PolarHBondContact N-O 2.91Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å; G77-M164 PolarHBondContact N-SD 3.5Å; G77-M164 VanDerWaalsContact N-SD 3.4Å |
| 78 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.2 | -172.7 | -60.4 | -80.4 | 0 | 0 | 0 | 111.6 | V7 L9 I72 I100 K104 V109 P110 L111 I112 | V7-F78 HydrophobicContact CB-CD1 4Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CE1 4.08Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; L9-F78 HydrophobicContact CD1-CD1 4Å; I72-F78 HydrophobicContact CB-CE1 4.27Å; I72-F78 HydrophobicContact CG1-CE1 4.17Å; I72-F78 HydrophobicContact CG2-CE1 4.22Å; I72-F78 HydrophobicContact CG2-CZ 4.08Å; I72-F78 WeakPolarHBondContact O-CZ 3.42Å; F78-I100 HydrophobicContact CB-CD1 3.93Å; F78-I100 HydrophobicContact CD1-CD1 4.01Å; F78-I100 HydrophobicContact CD1-CG1 4.19Å; F78-I100 HydrophobicContact CD1-CG2 4.44Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE2-CG2 3.93Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG1 4.35Å; F78-I100 HydrophobicContact CG-CG2 4.03Å; F78-I100 HydrophobicContact CZ-CG2 4.38Å; F78-K104 HydrophobicContact CE2-CG 4.23Å; F78-K104 VanDerWaalsContact CZ-CE 3.48Å; F78-V109 HydrophobicContact CD2-CG1 3.41Å; F78-V109 VanDerWaalsContact CD2-CG1 3.41Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; F78-P110 PolarHBondContact N-O 2.81Å; F78-L111 HydrophobicContact CB-CD1 4.47Å; F78-L111 HydrophobicContact CB-CG 4.47Å; F78-L111 CarbonylContact O-C 3.58Å; F78-L111 VanDerWaalsContact O-CA 3.28Å; F78-L111 WeakPolarHBondContact O-CA 3.47Å; F78-I112 PolarHBondContact O-N 2.55Å |
| 79 | I | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.5 | 170.7 | -59.5 | 177.8 | 0 | 0 | 0 | 107.2 | V6 V7 V8 L9 V81 I112 V114 L156 F157 I160 | V6-I79 HydrophobicContact CG1-CD1 3.65Å; V6-I79 HydrophobicContact CG1-CG1 3.79Å; V7-I79 PolarHBondContact O-N 3Å; V8-I79 HydrophobicContact CG1-CB 4.33Å; V8-I79 HydrophobicContact CG1-CG2 4.32Å; V8-I79 HydrophobicContact CG2-CB 4.48Å; V8-I79 HydrophobicContact CG2-CD1 4.35Å; L9-I79 PolarHBondContact N-O 3.25Å; I79-V81 HydrophobicContact CG2-CG2 3.69Å; I79-I112 HydrophobicContact CB-CG2 4.14Å; I79-I112 HydrophobicContact CG1-CG2 3.72Å; I79-I112 HydrophobicContact CG2-CG2 4.17Å; I79-V114 HydrophobicContact CG2-CB 4.48Å; I79-V114 HydrophobicContact CG2-CG2 3.65Å; I79-L156 HydrophobicContact CD1-CD1 4.16Å; I79-L156 HydrophobicContact CD1-CG 4.19Å; I79-L156 HydrophobicContact CG1-CD1 4.37Å; I79-L156 HydrophobicContact CG2-CD1 3.99Å; I79-L156 HydrophobicContact CG2-CD2 4.21Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.67Å; I79-F157 HydrophobicContact CD1-CZ 4.32Å; I79-I160 HydrophobicContact CD1-CG2 4.23Å; I79-I160 HydrophobicContact CG1-CB 4.36Å; I79-I160 HydrophobicContact CG1-CG1 4.22Å; I79-I160 HydrophobicContact CG1-CG2 4.49Å |
| 80 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.4 | 174.9 | -73 | -174.2 | 0 | 0 | 0 | 110 | L9 M96 R97 I100 L111 I112 L113 V114 W138 | L9-L80 HydrophobicContact CB-CD2 3.84Å; L9-L80 HydrophobicContact CD1-CD2 4.49Å; L80-M96 HydrophobicContact CD2-CB 4.12Å; L80-R97 HydrophobicContact CD1-CB 3.71Å; L80-R97 HydrophobicContact CD1-CG 4.36Å; L80-I100 HydrophobicContact CD1-CD1 4.38Å; L80-I100 HydrophobicContact CD2-CD1 3.83Å; L80-I100 HydrophobicContact CG-CD1 4.25Å; L80-L111 HydrophobicContact CD1-CD1 3.8Å; L80-L111 HydrophobicContact CD1-CD2 4.31Å; L80-L111 HydrophobicContact CD1-CG 4.37Å; L80-L111 HydrophobicContact CG-CD1 4.21Å; L80-L111 HydrophobicContact CG-CG 4.47Å; L80-I112 PolarHBondContact N-O 3.37Å; L80-L113 HydrophobicContact CB-CD1 4.35Å; L80-V114 PolarHBondContact O-N 3.03Å; L80-W138 HydrophobicContact CD1-CH2 4.16Å; L80-W138 HydrophobicContact CD1-CZ3 3.81Å |
| 81 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.2 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | V8 L9 G10 V14 K16 L19 I79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.69Å; L9-V81 PolarHBondContact O-N 3.05Å; G10-V81 VanDerWaalsContact CA-O 3.28Å; G10-V81 WeakPolarHBondContact CA-O 3.45Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.87Å; K16-V81 HydrophobicContact CG-CB 4.19Å; K16-V81 HydrophobicContact CG-CG2 4.29Å; L19-V81 HydrophobicContact CD1-CG1 3.96Å; L19-V81 HydrophobicContact CD1-CG2 4.13Å; I79-V81 HydrophobicContact CG2-CG2 3.69Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CG1 4.41Å; V81-V114 HydrophobicContact CG2-CB 4.31Å; V81-N116 HydrophobicContact CG1-CB 3.81Å |
| 82 | Y | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 169.5 | 162 | 71.9 | -83.6 | 0 | 0 | 0 | 109.8 | L84 S89 F90 I93 L113 V114 N116 V126 F142 | Y82-L84 HydrophobicContact CE2-CD2 3.76Å; Y82-S89 WeakPolarHBondContact CB-O 3.32Å; Y82-F90 AromaticContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.68Å; Y82-F90 HydrophobicContact CD2-CD2 3.68Å; Y82-F90 HydrophobicContact CD2-CG 4.15Å; Y82-F90 AromaticContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.18Å; Y82-F90 AromaticContact CE2-CD2 3.5Å; Y82-F90 HydrophobicContact CE2-CD2 3.5Å; Y82-F90 HydrophobicContact CE2-CE2 4.24Å; Y82-F90 HydrophobicContact CE2-CG 4.16Å; Y82-F90 HydrophobicContact CG-CB 4.21Å; Y82-F90 AromaticContact CG-CD2 3.86Å; Y82-F90 HydrophobicContact CG-CD2 3.86Å; Y82-F90 AromaticContact CZ-CD2 3.54Å; Y82-F90 AromaticContact CZ-CE2 3.86Å; Y82-I93 HydrophobicContact CD1-CD1 4.11Å; Y82-L113 HydrophobicContact CD1-CD1 3.81Å; Y82-L113 HydrophobicContact CE1-CD1 3.84Å; Y82-L113 HydrophobicContact CE1-CD2 4.43Å; Y82-L113 HydrophobicContact CE1-CG 4.07Å; Y82-V114 WeakPolarHBondContact CD1-O 3.16Å; Y82-V114 WeakPolarHBondContact CE1-O 3.45Å; Y82-V114 PolarHBondContact N-O 2.97Å; Y82-N116 PolarHBondContact O-N 3.18Å; Y82-V126 HydrophobicContact CD2-CG2 4.46Å; Y82-V126 HydrophobicContact CE2-CB 4Å; Y82-V126 HydrophobicContact CE2-CG1 3.73Å; Y82-V126 HydrophobicContact CE2-CG2 4.21Å; Y82-F142 HydrophobicContact CE1-CE2 4.04Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.15Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.44Å |
| 83 | S | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.2 | 175.7 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | V85 N86 S89 K117 | S83-V85 PolarHBondContact O-N 3.1Å; S83-V85 WeakPolarHBondContact OG-CG2 3.36Å; S83-N86 PolarHBondContact O-N 3.07Å; S83-N86 VanDerWaalsContact O-N 3.13Å; S83-S89 PolarHBondContact N-OG 2.84Å; S83-S89 PolarHBondContact O-OG 3.38Å; S83-K117 VanDerWaalsContact OG-CD 3.23Å; S83-K117 WeakPolarHBondContact OG-CD 3.01Å; S83-K117 VanDerWaalsContact OG-CE 3.28Å; S83-K117 WeakPolarHBondContact OG-CE 3.27Å |
| 84 | L | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.3 | 177.5 | -65.9 | 172.1 | 0 | 0 | 0 | 113.2 | Y82 N116 V118 E125 V126 E144 | Y82-L84 HydrophobicContact CE2-CD2 3.76Å; L84-N116 WeakPolarHBondContact CG-O 3.43Å; L84-N116 PolarHBondContact N-O 3.4Å; L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.08Å; L84-E125 PolarHBondContact O-N 3.46Å; L84-V126 PolarHBondContact O-N 3.17Å; L84-E144 HydrophobicContact CD1-CB 4.38Å; L84-E144 HydrophobicContact CD1-CG 4.15Å; L84-E144 HydrophobicContact CD2-CG 4.45Å |
| 85 | V | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 20.9 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | S83 K117 L120 E123 | S83-V85 PolarHBondContact O-N 3.1Å; S83-V85 WeakPolarHBondContact OG-CG2 3.36Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; V85-L120 HydrophobicContact CG1-CB 3.59Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.11Å; V85-E123 WeakPolarHBondContact CA-O 3.29Å; V85-E123 HydrophobicContact CB-CB 4.14Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.69Å; V85-E123 VanDerWaalsContact CG1-O 3.32Å; V85-E123 WeakPolarHBondContact CG1-O 3.47Å |
| 86 | N | 98.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 34.3 Ų | 34.3 | 35% | 0.348 | 17% | 0.168 | S | C | . | . | trans | -148.8 | 97.8 | 175.9 | -177.2 | -35.5 | 0 | 0 | 0 | 110 | S83 Q88 S89 E125 | S83-N86 PolarHBondContact O-N 3.07Å; S83-N86 VanDerWaalsContact O-N 3.13Å; N86-Q88 VanDerWaalsContact C-N 3.27Å; N86-Q88 PolarHBondContact O-N 2.82Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.48Å; N86-Q88 PolarHBondContact OD1-N 2.75Å; N86-S89 PolarHBondContact O-N 2.74Å; N86-S89 VanDerWaalsContact O-N 3.16Å; N86-S89 PolarHBondContact O-OG 2.62Å; N86-S89 PolarHBondContact OD1-N 3Å; N86-E125 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 87 | Q | 98.2 | Very high | 97.2 | Very high | 62 Ų | 62 | 33.3 Ų | 33.3 | 29% | 0.29 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59 | -35.5 | -179.7 | -177.2 | 61.1 | 59.2 | 0 | 0 | 112.9 | S89 F90 Q91 E125 | Q87-S89 VanDerWaalsContact C-N 3.33Å; Q87-S89 PolarHBondContact O-N 3.37Å; Q87-F90 WeakPolarHBondContact O-CB 3.2Å; Q87-F90 PolarHBondContact O-N 3.46Å; Q87-Q91 PolarHBondContact O-N 3.14Å; Q87-E125 HydrophobicContact CB-CB 4.22Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.5Å; Q87-E125 PolarHBondContact N-OE2 2.81Å; Q87-E125 PolarHBondContact OE1-O 2.84Å |
| 88 | Q | 97.7 | Very high | 97 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 48% | 0.481 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -42 | 178.3 | -174.1 | 60.9 | 55.9 | 0 | 0 | 110.8 | N86 F90 Q91 D92 | N86-Q88 VanDerWaalsContact C-N 3.27Å; N86-Q88 PolarHBondContact O-N 2.82Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.48Å; N86-Q88 PolarHBondContact OD1-N 2.75Å; Q88-F90 PolarHBondContact O-N 2.65Å; Q88-Q91 WeakPolarHBondContact O-CA 3.47Å; Q88-Q91 WeakPolarHBondContact O-CB 3.37Å; Q88-Q91 PolarHBondContact O-N 2.77Å; Q88-D92 PolarHBondContact NE2-OD1 2.94Å; Q88-D92 PolarHBondContact O-N 2.89Å |
| 89 | S | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -28.9 | 177.9 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | Y82 S83 N86 Q87 | Y82-S89 WeakPolarHBondContact CB-O 3.32Å; S83-S89 PolarHBondContact N-OG 2.84Å; S83-S89 PolarHBondContact O-OG 3.38Å; N86-S89 PolarHBondContact O-N 2.74Å; N86-S89 VanDerWaalsContact O-N 3.16Å; N86-S89 PolarHBondContact O-OG 2.62Å; N86-S89 PolarHBondContact OD1-N 3Å; Q87-S89 VanDerWaalsContact C-N 3.33Å; Q87-S89 PolarHBondContact O-N 3.37Å |
| 90 | F | 98.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.6 | -24.6 | 173.5 | -177.4 | -108.2 | 0 | 0 | 0 | 113.2 | Y82 Q87 Q88 I93 V126 D130 L134 | Y82-F90 AromaticContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.68Å; Y82-F90 HydrophobicContact CD2-CD2 3.68Å; Y82-F90 HydrophobicContact CD2-CG 4.15Å; Y82-F90 AromaticContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CE2 4.02Å; Y82-F90 HydrophobicContact CE2-CB 4.18Å; Y82-F90 AromaticContact CE2-CD2 3.5Å; Y82-F90 HydrophobicContact CE2-CD2 3.5Å; Y82-F90 HydrophobicContact CE2-CE2 4.24Å; Y82-F90 HydrophobicContact CE2-CG 4.16Å; Y82-F90 HydrophobicContact CG-CB 4.21Å; Y82-F90 AromaticContact CG-CD2 3.86Å; Y82-F90 HydrophobicContact CG-CD2 3.86Å; Y82-F90 AromaticContact CZ-CD2 3.54Å; Y82-F90 AromaticContact CZ-CE2 3.86Å; Q87-F90 WeakPolarHBondContact O-CB 3.2Å; Q87-F90 PolarHBondContact O-N 3.46Å; Q88-F90 PolarHBondContact O-N 2.65Å; F90-I93 HydrophobicContact CD2-CD1 3.64Å; F90-I93 HydrophobicContact CD2-CG1 4.47Å; F90-I93 HydrophobicContact CE2-CD1 3.84Å; F90-I93 HydrophobicContact CG-CD1 4.46Å; F90-I93 WeakPolarHBondContact O-CG1 3.14Å; F90-V126 HydrophobicContact CB-CG1 4.32Å; F90-V126 HydrophobicContact CB-CG2 3.8Å; F90-V126 HydrophobicContact CD1-CG1 4.02Å; F90-V126 HydrophobicContact CD2-CG1 4Å; F90-V126 HydrophobicContact CE1-CG1 4.3Å; F90-V126 HydrophobicContact CE2-CG1 4.29Å; F90-V126 HydrophobicContact CG-CG1 3.85Å; F90-V126 HydrophobicContact CG-CG2 4.23Å; F90-V126 HydrophobicContact CZ-CG1 4.42Å; F90-D130 HydrophobicContact CE1-CB 4.17Å; F90-D130 HydrophobicContact CZ-CB 4.06Å; F90-L134 HydrophobicContact CD2-CD2 4.48Å; F90-L134 HydrophobicContact CE2-CD2 3.6Å; F90-L134 HydrophobicContact CZ-CB 4.19Å; F90-L134 HydrophobicContact CZ-CD2 3.66Å |
| 91 | Q | 97.3 | Very high | 96.3 | Very high | 104 Ų | 104 | 41.2 Ų | 41.2 | 49% | 0.486 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.7 | -36.5 | 172.1 | -65 | 175.7 | 3.5 | 0 | 0 | 110.8 | Q87 Q88 I93 P95 | Q87-Q91 PolarHBondContact O-N 3.14Å; Q88-Q91 WeakPolarHBondContact O-CA 3.47Å; Q88-Q91 WeakPolarHBondContact O-CB 3.37Å; Q88-Q91 PolarHBondContact O-N 2.77Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.45Å; Q91-P95 WeakPolarHBondContact O-CD 3.45Å |
| 92 | D | 95 | Very high | 96 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.2 | -22.1 | -175.6 | -60.9 | -17.2 | 0 | 0 | 0 | 114 | S11 Q88 R94 P95 M96 | S11-D92 VanDerWaalsContact OG-CB 3.27Å; S11-D92 WeakPolarHBondContact OG-CB 3.08Å; S11-D92 PolarHBondContact OG-OD2 2.75Å; Q88-D92 PolarHBondContact NE2-OD1 2.94Å; Q88-D92 PolarHBondContact O-N 2.89Å; D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact O-N 2.98Å; D92-P95 WeakPolarHBondContact O-CD 3.32Å; D92-M96 HydrophobicContact CB-CE 4.16Å; D92-M96 WeakPolarHBondContact O-CG 3.48Å |
| 93 | I | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -28.4 | -178.9 | 50.3 | 164.4 | 0 | 0 | 0 | 113.7 | Y82 F90 Q91 M96 R97 L113 L134 W138 | Y82-I93 HydrophobicContact CD1-CD1 4.11Å; F90-I93 HydrophobicContact CD2-CD1 3.64Å; F90-I93 HydrophobicContact CD2-CG1 4.47Å; F90-I93 HydrophobicContact CE2-CD1 3.84Å; F90-I93 HydrophobicContact CG-CD1 4.46Å; F90-I93 WeakPolarHBondContact O-CG1 3.14Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.45Å; I93-M96 PolarHBondContact O-N 2.84Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.03Å; I93-L113 HydrophobicContact CD1-CD1 3.48Å; I93-L113 VanDerWaalsContact CD1-CD1 3.48Å; I93-L113 HydrophobicContact CD1-CD2 4.43Å; I93-L134 HydrophobicContact CD1-CD2 3.35Å; I93-L134 HydrophobicContact CG1-CD2 4.3Å; I93-W138 HydrophobicContact CB-CH2 4.28Å; I93-W138 HydrophobicContact CD1-CH2 3.92Å; I93-W138 HydrophobicContact CD1-CZ3 4.5Å; I93-W138 HydrophobicContact CG1-CH2 4.2Å |
| 94 | R | 95.7 | Very high | 95.3 | Very high | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -54.7 | 179.1 | -83.9 | 178.2 | -178.1 | -80.2 | 6.5 | 111 | D92 M96 R97 D98 L134 E137 W138 | D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact O-N 2.98Å; R94-M96 VanDerWaalsContact C-N 3.25Å; R94-M96 PolarHBondContact O-N 2.84Å; R94-R97 WeakPolarHBondContact O-CB 3.46Å; R94-R97 PolarHBondContact O-N 2.86Å; R94-R97 VanDerWaalsContact O-N 3.14Å; R94-D98 PolarHBondContact O-N 3Å; R94-L134 HydrophobicContact CG-CD1 4.42Å; R94-E137 IonicContact CZ-OE1 3.68Å; R94-E137 IonicContact CZ-OE2 3.76Å; R94-E137 IonicContact NH1-OE1 2.84Å; R94-E137 PolarHBondContact NH1-OE1 2.88Å; R94-E137 IonicContact NH1-OE2 3.29Å; R94-E137 PolarHBondContact NH1-OE2 3.13Å; R94-E137 IonicContact NH2-OE1 3.73Å; R94-E137 IonicContact NH2-OE2 2.77Å; R94-E137 PolarHBondContact NH2-OE2 3.41Å; R94-W138 HydrophobicContact CG-CZ2 3.82Å |
| 95 | P | 93.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.9 | -39.6 | 172.1 | -28.2 | 32.7 | 0 | 0 | 0 | 114.2 | Q91 D92 D98 Q99 | Q91-P95 WeakPolarHBondContact O-CD 3.45Å; D92-P95 WeakPolarHBondContact O-CD 3.32Å; P95-D98 PolarHBondContact O-N 3.32Å; P95-Q99 PolarHBondContact O-N 3.03Å |
| 96 | M | 93.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178.4 | -64.8 | -176.4 | -161.6 | 0 | 0 | 111.9 | G10 L80 D92 I93 R94 D98 Q99 I100 | G10-M96 VanDerWaalsContact CA-SD 3.58Å; L80-M96 HydrophobicContact CD2-CB 4.12Å; D92-M96 HydrophobicContact CB-CE 4.16Å; D92-M96 WeakPolarHBondContact O-CG 3.48Å; I93-M96 PolarHBondContact O-N 2.84Å; R94-M96 VanDerWaalsContact C-N 3.25Å; R94-M96 PolarHBondContact O-N 2.84Å; M96-D98 VanDerWaalsContact C-N 3.34Å; M96-D98 PolarHBondContact O-N 3.41Å; M96-Q99 WeakPolarHBondContact O-CB 3.29Å; M96-Q99 PolarHBondContact O-N 3.48Å; M96-I100 WeakPolarHBondContact O-CG1 3.4Å; M96-I100 PolarHBondContact O-N 2.96Å |
| 97 | R | 95.1 | Very high | 92.1 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.2 | -179.2 | -91.6 | -179 | -175.1 | 1.5 | 111.3 | L80 I93 R94 Q99 I100 V101 L111 W138 | L80-R97 HydrophobicContact CD1-CB 3.71Å; L80-R97 HydrophobicContact CD1-CG 4.36Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.03Å; R94-R97 WeakPolarHBondContact O-CB 3.46Å; R94-R97 PolarHBondContact O-N 2.86Å; R94-R97 VanDerWaalsContact O-N 3.14Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.92Å; R97-I100 WeakPolarHBondContact O-CB 3.33Å; R97-I100 PolarHBondContact O-N 3.39Å; R97-I100 VanDerWaalsContact O-N 3.12Å; R97-V101 WeakPolarHBondContact O-CG2 3.48Å; R97-V101 PolarHBondContact O-N 3.01Å; R97-L111 HydrophobicContact CG-CD1 4.22Å; R97-W138 HydrophobicContact CB-CH2 3.87Å; R97-W138 HydrophobicContact CB-CZ2 3.95Å; R97-W138 HydrophobicContact CB-CZ3 4.26Å; R97-W138 HydrophobicContact CG-CD2 4.06Å; R97-W138 HydrophobicContact CG-CE3 4.18Å; R97-W138 HydrophobicContact CG-CH2 4.19Å; R97-W138 HydrophobicContact CG-CZ2 4.08Å; R97-W138 HydrophobicContact CG-CZ3 4.24Å |
| 98 | D | 93.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 78.4 Ų | 78.4 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | -178.8 | -68.3 | -21.5 | 0 | 0 | 0 | 111.8 | R94 P95 M96 V101 R102 | R94-D98 PolarHBondContact O-N 3Å; P95-D98 PolarHBondContact O-N 3.32Å; M96-D98 VanDerWaalsContact C-N 3.34Å; M96-D98 PolarHBondContact O-N 3.41Å; D98-V101 PolarHBondContact O-N 3.38Å; D98-R102 VanDerWaalsContact O-CB 3.29Å; D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 3.12Å |
| 99 | Q | 92.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 74.7 Ų | 74.7 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 171.6 | -171.5 | 175.3 | -0.8 | 0 | 0 | 112 | R68 D69 I72 P95 M96 R97 R102 V103 | R68-Q99 VanDerWaalsContact CD-OE1 3.23Å; D69-Q99 PolarHBondContact OD1-NE2 2.95Å; I72-Q99 HydrophobicContact CD1-CB 4.46Å; I72-Q99 HydrophobicContact CD1-CG 3.88Å; P95-Q99 PolarHBondContact O-N 3.03Å; M96-Q99 WeakPolarHBondContact O-CB 3.29Å; M96-Q99 PolarHBondContact O-N 3.48Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.92Å; Q99-R102 PolarHBondContact O-N 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.07Å; Q99-V103 PolarHBondContact O-N 3.06Å |
| 100 | I | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.8 | -52.6 | 176 | -68.1 | 163.6 | 0 | 0 | 0 | 110.7 | L9 I72 F78 L80 M96 R97 R102 V103 K104 V109 L111 | L9-I100 HydrophobicContact CD1-CD1 3.83Å; L9-I100 HydrophobicContact CD1-CG1 4.11Å; I72-I100 HydrophobicContact CD1-CG1 3.91Å; I72-I100 HydrophobicContact CG1-CG1 4.07Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.35Å; I72-I100 HydrophobicContact CG2-CG2 4.38Å; F78-I100 HydrophobicContact CB-CD1 3.93Å; F78-I100 HydrophobicContact CD1-CD1 4.01Å; F78-I100 HydrophobicContact CD1-CG1 4.19Å; F78-I100 HydrophobicContact CD1-CG2 4.44Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE2-CG2 3.93Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG1 4.35Å; F78-I100 HydrophobicContact CG-CG2 4.03Å; F78-I100 HydrophobicContact CZ-CG2 4.38Å; L80-I100 HydrophobicContact CD1-CD1 4.38Å; L80-I100 HydrophobicContact CD2-CD1 3.83Å; L80-I100 HydrophobicContact CG-CD1 4.25Å; M96-I100 WeakPolarHBondContact O-CG1 3.4Å; M96-I100 PolarHBondContact O-N 2.96Å; R97-I100 WeakPolarHBondContact O-CB 3.33Å; R97-I100 PolarHBondContact O-N 3.39Å; R97-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.49Å; I100-V103 PolarHBondContact O-N 3.4Å; I100-K104 HydrophobicContact CG2-CG 4.33Å; I100-K104 WeakPolarHBondContact O-CB 3.14Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.44Å; I100-V109 HydrophobicContact CG2-CB 4.45Å; I100-V109 HydrophobicContact CG2-CG1 3.64Å; I100-L111 HydrophobicContact CD1-CD1 4.16Å |
| 101 | V | 93.2 | Very high | 90.9 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | -179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | R97 D98 V103 K104 R105 | R97-V101 WeakPolarHBondContact O-CG2 3.48Å; R97-V101 PolarHBondContact O-N 3.01Å; D98-V101 PolarHBondContact O-N 3.38Å; V101-V103 PolarHBondContact O-N 2.89Å; V101-K104 PolarHBondContact O-N 3.42Å; V101-R105 PolarHBondContact O-N 2.8Å |
| 102 | R | 92.3 | Very high | 91 | Very high | 162 Ų | 162 | 69.8 Ų | 69.8 | 61% | 0.611 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 179 | -174.5 | -174.2 | 74.3 | -169.5 | 3.4 | 112.7 | D69 D98 Q99 I100 | D69-R102 IonicContact OD1-NH2 3.69Å; D69-R102 IonicContact OD2-NH2 2.75Å; D98-R102 VanDerWaalsContact O-CB 3.29Å; D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 3.12Å; Q99-R102 PolarHBondContact O-N 3.3Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.49Å |
| 103 | V | 92.5 | Very high | 91.1 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.3 | -38.6 | -177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | D69 I72 K73 Q99 I100 V101 | D69-V103 HydrophobicContact CB-CG2 4.36Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.4Å; I72-V103 HydrophobicContact CB-CB 4.32Å; I72-V103 HydrophobicContact CB-CG1 4.05Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.3Å; K73-V103 HydrophobicContact CB-CG1 4.12Å; Q99-V103 WeakPolarHBondContact O-CG2 3.07Å; Q99-V103 PolarHBondContact O-N 3.06Å; I100-V103 PolarHBondContact O-N 3.4Å; V101-V103 PolarHBondContact O-N 2.89Å |
| 104 | K | 91.5 | Very high | 91.3 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.9 | -32.6 | -178.6 | -78.1 | -55.6 | -167.1 | -168.3 | 0 | 114.3 | I72 K73 G75 F78 I100 V101 F106 V109 | I72-K104 HydrophobicContact CG2-CG 4.28Å; I72-K104 WeakPolarHBondContact O-CE 3.4Å; I72-K104 PolarHBondContact O-NZ 2.83Å; K73-K104 PolarHBondContact O-NZ 2.92Å; G75-K104 WeakPolarHBondContact O-CE 3.27Å; G75-K104 PolarHBondContact O-NZ 2.93Å; F78-K104 HydrophobicContact CE2-CG 4.23Å; F78-K104 VanDerWaalsContact CZ-CE 3.48Å; I100-K104 HydrophobicContact CG2-CG 4.33Å; I100-K104 WeakPolarHBondContact O-CB 3.14Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.44Å; V101-K104 PolarHBondContact O-N 3.42Å; K104-F106 HydrophobicContact CB-CD2 3.95Å; K104-F106 HydrophobicContact CD-CD2 4.22Å; K104-F106 HydrophobicContact CD-CE2 4.34Å; K104-F106 VanDerWaalsContact O-CD2 3.26Å; K104-F106 WeakPolarHBondContact O-CD2 3.32Å; K104-F106 PolarHBondContact O-N 2.86Å; K104-F106 VanDerWaalsContact O-N 3.12Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.27Å; K104-V109 HydrophobicContact CG-CG2 3.95Å |
| 105 | R | 85.2 | Confident | 91.5 | Very high | 228 Ų | 228 | 62.6 Ų | 62.6 | 86% | 0.86 | 29% | 0.287 | S | S | * | . | trans | 55.7 | 24.1 | -177.7 | -50.7 | -179.5 | 177.9 | -169.6 | -1.8 | 113.5 | V101 | V101-R105 PolarHBondContact O-N 2.8Š| ||
| 106 | F | 75.7 | Confident | 91.7 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | trans | -108.7 | 144.9 | 177.5 | -64.9 | -54.8 | 0 | 0 | 0 | 110.1 | K104 K108 V109 | K104-F106 HydrophobicContact CB-CD2 3.95Å; K104-F106 HydrophobicContact CD-CD2 4.22Å; K104-F106 HydrophobicContact CD-CE2 4.34Å; K104-F106 VanDerWaalsContact O-CD2 3.26Å; K104-F106 WeakPolarHBondContact O-CD2 3.32Å; K104-F106 PolarHBondContact O-N 2.86Å; K104-F106 VanDerWaalsContact O-N 3.12Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-V109 HydrophobicContact CB-CG2 4.29Å | ||
| 107 | E | 67.3 | Low | 91.9 | Very high | 190 Ų | 190 | 61 Ų | 61 | 89% | 0.888 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -67 | -33.4 | 176.1 | -68.2 | -171.7 | 169.8 | 0 | 0 | 112.3 | ||
| 108 | K | 81.9 | Confident | 92.1 | Very high | 152 Ų | 152 | 59.4 Ų | 59.4 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | trans | -126.4 | 105.2 | 178.4 | -70.1 | 178.9 | -176 | 166 | 0 | 111.2 | F106 | F106-K108 VanDerWaalsContact C-N 3.32Š| ||
| 109 | V | 91.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | trans | -97.4 | 125.5 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | F78 I100 K104 F106 L111 | F78-V109 HydrophobicContact CD2-CG1 3.41Å; F78-V109 VanDerWaalsContact CD2-CG1 3.41Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; I100-V109 HydrophobicContact CG2-CB 4.45Å; I100-V109 HydrophobicContact CG2-CG1 3.64Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.27Å; K104-V109 HydrophobicContact CG-CG2 3.95Å; F106-V109 HydrophobicContact CB-CG2 4.29Å; V109-L111 PolarHBondContact O-N 2.85Å | ||
| 110 | P | 96.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | trans | -58.7 | 111.4 | 174.1 | -21.9 | 32.1 | 0 | 0 | 0 | 110.4 | Q76 G77 F78 I160 Q163 M164 | Q76-P110 WeakPolarHBondContact O-CG 3.17Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å; F78-P110 PolarHBondContact N-O 2.81Å; P110-I160 HydrophobicContact CB-CD1 4.47Å; P110-Q163 HydrophobicContact CB-CB 4.13Å; P110-M164 HydrophobicContact CB-CB 4.38Å; P110-M164 HydrophobicContact CB-CG 3.58Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.88Å | ||
| 111 | L | 96.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 144 | -171.7 | -174.7 | 146.7 | 0 | 0 | 0 | 109.5 | F78 L80 R97 I100 V109 W138 C140 P141 | F78-L111 HydrophobicContact CB-CD1 4.47Å; F78-L111 HydrophobicContact CB-CG 4.47Å; F78-L111 CarbonylContact O-C 3.58Å; F78-L111 VanDerWaalsContact O-CA 3.28Å; F78-L111 WeakPolarHBondContact O-CA 3.47Å; L80-L111 HydrophobicContact CD1-CD1 3.8Å; L80-L111 HydrophobicContact CD1-CD2 4.31Å; L80-L111 HydrophobicContact CD1-CG 4.37Å; L80-L111 HydrophobicContact CG-CD1 4.21Å; L80-L111 HydrophobicContact CG-CG 4.47Å; R97-L111 HydrophobicContact CG-CD1 4.22Å; I100-L111 HydrophobicContact CD1-CD1 4.16Å; V109-L111 PolarHBondContact O-N 2.85Å; L111-W138 HydrophobicContact CD2-CE3 4.1Å; L111-W138 HydrophobicContact CD2-CZ3 4.45Å; L111-C140 HydrophobicContact CD2-CB 3.91Å; L111-C140 VanDerWaalsContact CD2-SG 3.54Å; L111-C140 WeakPolarHBondContact O-CB 3.35Å; L111-P141 WeakPolarHBondContact O-CD 3.04Å |
| 112 | I | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.2 | 169.9 | -176.5 | 158 | 0 | 0 | 0 | 109.9 | F78 I79 L80 V114 P141 I143 L156 E159 I160 | F78-I112 PolarHBondContact O-N 2.55Å; I79-I112 HydrophobicContact CB-CG2 4.14Å; I79-I112 HydrophobicContact CG1-CG2 3.72Å; I79-I112 HydrophobicContact CG2-CG2 4.17Å; L80-I112 PolarHBondContact N-O 3.37Å; I112-V114 HydrophobicContact CG1-CG2 4.32Å; I112-V114 HydrophobicContact CG2-CG2 4.4Å; I112-P141 HydrophobicContact CD1-CB 3.98Å; I112-P141 HydrophobicContact CG1-CB 4.1Å; I112-I143 HydrophobicContact CD1-CD1 3.62Å; I112-I143 HydrophobicContact CD1-CG1 3.94Å; I112-L156 HydrophobicContact CD1-CD1 3.84Å; I112-L156 HydrophobicContact CG1-CD1 4.2Å; I112-L156 HydrophobicContact CG2-CD1 3.72Å; I112-E159 HydrophobicContact CD1-CB 4.02Å; I112-E159 HydrophobicContact CD1-CG 3.7Å; I112-I160 HydrophobicContact CG2-CB 4.31Å; I112-I160 HydrophobicContact CG2-CD1 4.1Å |
| 113 | L | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.7 | 174.1 | 178.8 | 61.4 | 0 | 0 | 0 | 110.2 | L80 Y82 I93 L134 A135 W138 P141 F142 I143 | L80-L113 HydrophobicContact CB-CD1 4.35Å; Y82-L113 HydrophobicContact CD1-CD1 3.81Å; Y82-L113 HydrophobicContact CE1-CD1 3.84Å; Y82-L113 HydrophobicContact CE1-CD2 4.43Å; Y82-L113 HydrophobicContact CE1-CG 4.07Å; I93-L113 HydrophobicContact CD1-CD1 3.48Å; I93-L113 VanDerWaalsContact CD1-CD1 3.48Å; I93-L113 HydrophobicContact CD1-CD2 4.43Å; L113-L134 HydrophobicContact CD2-CB 4.09Å; L113-L134 HydrophobicContact CD2-CD2 3.93Å; L113-L134 HydrophobicContact CD2-CG 4.04Å; L113-A135 HydrophobicContact CB-CB 4.41Å; L113-A135 HydrophobicContact CD2-CB 4.16Å; L113-W138 HydrophobicContact CB-CZ3 4.45Å; L113-W138 HydrophobicContact CD1-CZ3 3.99Å; L113-W138 HydrophobicContact CD2-CZ3 4.29Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L113-P141 PolarHBondContact N-O 3.01Å; L113-F142 HydrophobicContact CB-CD2 4.2Å; L113-F142 HydrophobicContact CD2-CD2 4.01Å; L113-F142 HydrophobicContact CD2-CE2 4.48Å; L113-F142 HydrophobicContact CG-CD2 3.86Å; L113-F142 HydrophobicContact CG-CE2 4.34Å; L113-F142 WeakPolarHBondContact O-CA 3.26Å; L113-F142 WeakPolarHBondContact O-CD2 3.31Å; L113-I143 PolarHBondContact O-N 3.01Å |
| 114 | V | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 119.8 | -173.8 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | L19 I79 L80 V81 Y82 I112 I143 T145 L156 | L19-V114 HydrophobicContact CD1-CG1 4.31Å; I79-V114 HydrophobicContact CG2-CB 4.48Å; I79-V114 HydrophobicContact CG2-CG2 3.65Å; L80-V114 PolarHBondContact O-N 3.03Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CG1 4.41Å; V81-V114 HydrophobicContact CG2-CB 4.31Å; Y82-V114 WeakPolarHBondContact CD1-O 3.16Å; Y82-V114 WeakPolarHBondContact CE1-O 3.45Å; Y82-V114 PolarHBondContact N-O 2.97Å; I112-V114 HydrophobicContact CG1-CG2 4.32Å; I112-V114 HydrophobicContact CG2-CG2 4.4Å; V114-I143 VanDerWaalsContact CA-O 3.3Å; V114-I143 WeakPolarHBondContact CA-O 3.5Å; V114-T145 HydrophobicContact CG1-CG2 3.77Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.19Å; V114-L156 HydrophobicContact CG1-CD2 4.22Å; V114-L156 HydrophobicContact CG2-CD1 3.38Å; V114-L156 HydrophobicContact CG2-CD2 4Å; V114-L156 HydrophobicContact CG2-CG 4.34Å |
| 115 | G | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 101.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I143 E144 T145 | G115-I143 PolarHBondContact N-O 3.13Å; G115-E144 CarbonylContact O-C 3.46Å; G115-E144 WeakPolarHBondContact O-CA 3.44Å; G115-T145 PolarHBondContact O-N 2.83Å |
| 116 | N | 98.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 162.1 | -176.4 | -168.3 | 36.5 | 0 | 0 | 0 | 112.8 | V14 L19 V81 Y82 L84 T145 A147 | V14-N116 PolarHBondContact O-ND2 2.94Å; L19-N116 HydrophobicContact CD1-CB 4.31Å; V81-N116 HydrophobicContact CG1-CB 3.81Å; Y82-N116 PolarHBondContact O-N 3.18Å; L84-N116 WeakPolarHBondContact CG-O 3.43Å; L84-N116 PolarHBondContact N-O 3.4Å; N116-T145 CarbonylContact C-O 3.56Å; N116-T145 WeakPolarHBondContact CA-O 3.46Å; N116-T145 PolarHBondContact OD1-O 2.9Å; N116-T145 PolarHBondContact OD1-OG1 3.3Å; N116-A147 PolarHBondContact OD1-N 3.42Å |
| 117 | K | 98.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | trans | 72.2 | 39 | -178 | -42.8 | -170.3 | -164.2 | 170.2 | 0 | 113.7 | G13 S83 V85 D119 L120 T145 | G13-K117 WeakPolarHBondContact O-CE 3.5Å; G13-K117 PolarHBondContact O-NZ 2.84Å; S83-K117 VanDerWaalsContact OG-CD 3.23Å; S83-K117 WeakPolarHBondContact OG-CD 3.01Å; S83-K117 VanDerWaalsContact OG-CE 3.28Å; S83-K117 WeakPolarHBondContact OG-CE 3.27Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; K117-D119 WeakPolarHBondContact CA-OD1 3.07Å; K117-D119 PolarHBondContact O-N 2.94Å; K117-D119 VanDerWaalsContact O-N 3.13Å; K117-L120 HydrophobicContact CB-CD1 4.08Å; K117-L120 HydrophobicContact CB-CG 4.35Å; K117-L120 HydrophobicContact CD-CD1 4.05Å; K117-L120 PolarHBondContact O-N 2.83Å; K117-T145 PolarHBondContact N-O 2.91Å | ||
| 118 | V | 98.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.3 | -17.6 | 174.5 | 73.1 | 0 | 0 | 0 | 0 | 113 | L84 L120 E144 T145 T151 | L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.08Å; V118-L120 PolarHBondContact O-N 3.5Å; V118-E144 HydrophobicContact CB-CB 4.3Å; V118-E144 HydrophobicContact CG2-CB 4.22Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.44Å; V118-T145 WeakPolarHBondContact CG1-O 3.43Å; V118-T145 PolarHBondContact N-O 3.31Å; V118-T151 HydrophobicContact CG1-CG2 4.25Å |
| 119 | D | 98.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -67.1 | -15.8 | 172.2 | 56.9 | -72.3 | 0 | 0 | 0 | 114.1 | K117 S146 K148 | K117-D119 WeakPolarHBondContact CA-OD1 3.07Å; K117-D119 PolarHBondContact O-N 2.94Å; K117-D119 VanDerWaalsContact O-N 3.13Å; D119-S146 WeakPolarHBondContact OD1-CB 3.36Å; D119-S146 PolarHBondContact OD1-OG 2.73Å; D119-K148 WeakPolarHBondContact OD2-CD 3.49Å |
| 120 | L | 97.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -100.9 | 45.9 | -179.8 | -58.1 | 179.9 | 0 | 0 | 0 | 112 | V85 K117 V118 S122 E123 R124 | V85-L120 HydrophobicContact CG1-CB 3.59Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.11Å; K117-L120 HydrophobicContact CB-CD1 4.08Å; K117-L120 HydrophobicContact CB-CG 4.35Å; K117-L120 HydrophobicContact CD-CD1 4.05Å; K117-L120 PolarHBondContact O-N 2.83Å; V118-L120 PolarHBondContact O-N 3.5Å; L120-S122 PolarHBondContact O-N 3.05Å; L120-S122 VanDerWaalsContact O-N 3.17Å; L120-E123 HydrophobicContact CB-CB 4.43Å; L120-E123 PolarHBondContact O-N 3.45Å; L120-R124 PolarHBondContact O-N 2.94Å |
| 121 | E | 96.9 | Very high | 98.2 | Very high | 106 Ų | 106 | 43 Ų | 43 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.5 | -33.3 | -173.8 | -168.7 | 61.5 | -151 | 0 | 0 | 113.5 | E123 R124 | E121-E123 PolarHBondContact O-N 2.87Å; E121-R124 VanDerWaalsContact O-CB 3.29Å; E121-R124 WeakPolarHBondContact O-CB 3.34Å; E121-R124 PolarHBondContact O-N 3.31Å; E121-R124 WeakPolarHBondContact OE1-CD 3.48Å; E121-R124 IonicContact OE1-CZ 3.67Å; E121-R124 IonicContact OE1-NE 2.84Å; E121-R124 PolarHBondContact OE1-NE 3.04Å; E121-R124 IonicContact OE1-NH2 3.61Å; E121-R124 IonicContact OE2-CZ 3.68Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 3.59Å; E121-R124 PolarHBondContact OE2-NE 3.29Å; E121-R124 IonicContact OE2-NH2 2.86Å; E121-R124 PolarHBondContact OE2-NH2 3.2Å |
| 122 | S | 97.9 | Very high | 98.3 | Very high | 119 Ų | 119 | 49.4 Ų | 49.4 | 83% | 0.832 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.1 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | L120 | L120-S122 PolarHBondContact O-N 3.05Å; L120-S122 VanDerWaalsContact O-N 3.17Å |
| 123 | E | 98.1 | Very high | 98.3 | Very high | 113 Ų | 113 | 52 Ų | 52 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -106.1 | 9.1 | 179.4 | -64.5 | 174 | -125.4 | 0 | 0 | 111.3 | V85 L120 E121 E125 | V85-E123 WeakPolarHBondContact CA-O 3.29Å; V85-E123 HydrophobicContact CB-CB 4.14Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.69Å; V85-E123 VanDerWaalsContact CG1-O 3.32Å; V85-E123 WeakPolarHBondContact CG1-O 3.47Å; L120-E123 HydrophobicContact CB-CB 4.43Å; L120-E123 PolarHBondContact O-N 3.45Å; E121-E123 PolarHBondContact O-N 2.87Å; E123-E125 PolarHBondContact O-N 2.9Å |
| 124 | R | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 22% | 0.219 | 28% | 0.281 | C | S | . | . | trans | -61.2 | 124.3 | -176 | -179.3 | -176.9 | -74.6 | -94.9 | 7.1 | 110.9 | L120 E121 V126 E144 | L120-R124 PolarHBondContact O-N 2.94Å; E121-R124 VanDerWaalsContact O-CB 3.29Å; E121-R124 WeakPolarHBondContact O-CB 3.34Å; E121-R124 PolarHBondContact O-N 3.31Å; E121-R124 WeakPolarHBondContact OE1-CD 3.48Å; E121-R124 IonicContact OE1-CZ 3.67Å; E121-R124 IonicContact OE1-NE 2.84Å; E121-R124 PolarHBondContact OE1-NE 3.04Å; E121-R124 IonicContact OE1-NH2 3.61Å; E121-R124 IonicContact OE2-CZ 3.68Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 3.59Å; E121-R124 PolarHBondContact OE2-NE 3.29Å; E121-R124 IonicContact OE2-NH2 2.86Å; E121-R124 PolarHBondContact OE2-NH2 3.2Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.34Å; R124-V126 PolarHBondContact NH1-O 3.29Å; R124-E144 IonicContact CZ-OE1 3.49Å; R124-E144 IonicContact CZ-OE2 3.88Å; R124-E144 IonicContact NH1-OE1 3.27Å; R124-E144 PolarHBondContact NH1-OE1 3.4Å; R124-E144 IonicContact NH1-OE2 3.5Å; R124-E144 IonicContact NH2-OE1 2.77Å; R124-E144 IonicContact NH2-OE2 3.93Å; R124-E144 PolarHBondContact NH2-OE2 2.9Å | ||
| 125 | E | 98.5 | Very high | 98.2 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | trans | -103.8 | -28.7 | 172.7 | -61.5 | -175 | -179.2 | 0 | 0 | 111.7 | L84 N86 Q87 E123 | L84-E125 PolarHBondContact O-N 3.46Å; N86-E125 WeakPolarHBondContact CA-OE2 3.36Å; Q87-E125 HydrophobicContact CB-CB 4.22Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.5Å; Q87-E125 PolarHBondContact N-OE2 2.81Å; Q87-E125 PolarHBondContact OE1-O 2.84Å; E123-E125 PolarHBondContact O-N 2.9Å | ||
| 126 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -110.6 | 121 | -177.4 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | Y82 L84 F90 R124 D130 | Y82-V126 HydrophobicContact CD2-CG2 4.46Å; Y82-V126 HydrophobicContact CE2-CB 4Å; Y82-V126 HydrophobicContact CE2-CG1 3.73Å; Y82-V126 HydrophobicContact CE2-CG2 4.21Å; L84-V126 PolarHBondContact O-N 3.17Å; F90-V126 HydrophobicContact CB-CG1 4.32Å; F90-V126 HydrophobicContact CB-CG2 3.8Å; F90-V126 HydrophobicContact CD1-CG1 4.02Å; F90-V126 HydrophobicContact CD2-CG1 4Å; F90-V126 HydrophobicContact CE1-CG1 4.3Å; F90-V126 HydrophobicContact CE2-CG1 4.29Å; F90-V126 HydrophobicContact CG-CG1 3.85Å; F90-V126 HydrophobicContact CG-CG2 4.23Å; F90-V126 HydrophobicContact CZ-CG1 4.42Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.34Å; R124-V126 PolarHBondContact NH1-O 3.29Å; V126-D130 HydrophobicContact CG1-CB 4.34Å |
| 127 | A | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | trans | -71 | 141.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S129 D130 G131 | A127-S129 WeakPolarHBondContact CB-OG 3.28Å; A127-S129 PolarHBondContact O-N 2.89Å; A127-S129 VanDerWaalsContact O-N 3.12Å; A127-D130 WeakPolarHBondContact O-CB 3.22Å; A127-D130 PolarHBondContact O-N 3.33Å; A127-G131 PolarHBondContact O-N 3.21Å | ||
| 128 | G | 97.1 | Very high | 97.9 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -22.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D130 R132 E144 | G128-D130 VanDerWaalsContact C-N 3.32Å; G128-R132 VanDerWaalsContact C-CZ 3.48Å; G128-R132 WeakPolarHBondContact O-CB 3.46Å; G128-R132 WeakPolarHBondContact O-CG 3.37Å; G128-R132 VanDerWaalsContact O-CZ 3.27Å; G128-R132 PolarHBondContact O-N 2.8Å; G128-R132 VanDerWaalsContact O-N 3.08Å; G128-R132 PolarHBondContact O-NE 3Å; G128-R132 PolarHBondContact O-NH1 3.02Å; G128-E144 WeakPolarHBondContact CA-OE1 3.37Å |
| 129 | S | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 171.2 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | A127 R132 A133 | A127-S129 WeakPolarHBondContact CB-OG 3.28Å; A127-S129 PolarHBondContact O-N 2.89Å; A127-S129 VanDerWaalsContact O-N 3.12Å; S129-R132 PolarHBondContact O-N 3.29Å; S129-A133 VanDerWaalsContact O-CB 3.32Å; S129-A133 WeakPolarHBondContact O-CB 3.21Å; S129-A133 PolarHBondContact O-N 3.02Å |
| 130 | D | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.2 | -42.5 | -177.5 | -56.1 | -24.1 | 0 | 0 | 0 | 110.2 | F90 V126 A127 G128 A133 L134 | F90-D130 HydrophobicContact CE1-CB 4.17Å; F90-D130 HydrophobicContact CZ-CB 4.06Å; V126-D130 HydrophobicContact CG1-CB 4.34Å; A127-D130 WeakPolarHBondContact O-CB 3.22Å; A127-D130 PolarHBondContact O-N 3.33Å; G128-D130 VanDerWaalsContact C-N 3.32Å; D130-A133 PolarHBondContact O-N 2.93Å; D130-L134 WeakPolarHBondContact O-CB 3.37Å; D130-L134 PolarHBondContact O-N 3.41Å |
| 131 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | A127 L134 A135 | A127-G131 PolarHBondContact O-N 3.21Å; G131-L134 PolarHBondContact O-N 3.35Å; G131-A135 WeakPolarHBondContact O-CB 3.45Å; G131-A135 PolarHBondContact O-N 3.25Å |
| 132 | R | 98.6 | Very high | 97.8 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62 | -46 | 175.1 | -78.5 | -174.2 | -70.5 | -87.5 | 3.1 | 112.7 | G128 S129 L134 A135 Q136 F142 | G128-R132 VanDerWaalsContact C-CZ 3.48Å; G128-R132 WeakPolarHBondContact O-CB 3.46Å; G128-R132 WeakPolarHBondContact O-CG 3.37Å; G128-R132 VanDerWaalsContact O-CZ 3.27Å; G128-R132 PolarHBondContact O-N 2.8Å; G128-R132 VanDerWaalsContact O-N 3.08Å; G128-R132 PolarHBondContact O-NE 3Å; G128-R132 PolarHBondContact O-NH1 3.02Å; S129-R132 PolarHBondContact O-N 3.29Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 3.14Å; R132-A135 PolarHBondContact O-N 2.99Å; R132-Q136 WeakPolarHBondContact O-CB 3.27Å; R132-Q136 PolarHBondContact O-N 3.26Å; R132-F142 HydrophobicContact CB-CD1 4.38Å; R132-F142 HydrophobicContact CG-CD1 3.47Å; R132-F142 VanDerWaalsContact CG-CD1 3.47Å; R132-F142 HydrophobicContact CG-CE1 3.9Å; R132-F142 HydrophobicContact CG-CG 4.43Å |
| 133 | A | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S129 D130 Q136 E137 | S129-A133 VanDerWaalsContact O-CB 3.32Å; S129-A133 WeakPolarHBondContact O-CB 3.21Å; S129-A133 PolarHBondContact O-N 3.02Å; D130-A133 PolarHBondContact O-N 2.93Å; A133-Q136 PolarHBondContact O-N 2.8Å; A133-E137 PolarHBondContact O-N 3.22Å |
| 134 | L | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.7 | -176.1 | 59.2 | 0 | 0 | 0 | 112.7 | F90 I93 R94 L113 D130 G131 R132 Q136 E137 W138 | F90-L134 HydrophobicContact CD2-CD2 4.48Å; F90-L134 HydrophobicContact CE2-CD2 3.6Å; F90-L134 HydrophobicContact CZ-CB 4.19Å; F90-L134 HydrophobicContact CZ-CD2 3.66Å; I93-L134 HydrophobicContact CD1-CD2 3.35Å; I93-L134 HydrophobicContact CG1-CD2 4.3Å; R94-L134 HydrophobicContact CG-CD1 4.42Å; L113-L134 HydrophobicContact CD2-CB 4.09Å; L113-L134 HydrophobicContact CD2-CD2 3.93Å; L113-L134 HydrophobicContact CD2-CG 4.04Å; D130-L134 WeakPolarHBondContact O-CB 3.37Å; D130-L134 PolarHBondContact O-N 3.41Å; G131-L134 PolarHBondContact O-N 3.35Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 3.14Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.24Å; L134-E137 WeakPolarHBondContact O-CB 3.5Å; L134-E137 PolarHBondContact O-N 3.19Å; L134-W138 HydrophobicContact CD1-CD2 4.22Å; L134-W138 VanDerWaalsContact CD1-CE2 3.49Å; L134-W138 HydrophobicContact CD1-CH2 4.39Å; L134-W138 HydrophobicContact CD1-CZ2 3.61Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.79Å; L134-W138 HydrophobicContact CD2-CZ3 4.34Å; L134-W138 HydrophobicContact CG-CD2 4.15Å; L134-W138 HydrophobicContact CG-CE3 4.39Å; L134-W138 HydrophobicContact CG-CH2 4.06Å; L134-W138 HydrophobicContact CG-CZ2 3.76Å; L134-W138 HydrophobicContact CG-CZ3 4.36Å; L134-W138 PolarHBondContact O-N 2.91Å |
| 135 | A | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L113 G131 R132 W138 G139 C140 F142 | L113-A135 HydrophobicContact CB-CB 4.41Å; L113-A135 HydrophobicContact CD2-CB 4.16Å; G131-A135 WeakPolarHBondContact O-CB 3.45Å; G131-A135 PolarHBondContact O-N 3.25Å; R132-A135 PolarHBondContact O-N 2.99Å; A135-W138 CarbonylContact O-C 3.54Å; A135-W138 PolarHBondContact O-N 3.17Å; A135-G139 PolarHBondContact O-N 3.33Å; A135-C140 WeakPolarHBondContact CB-O 3.33Å; A135-C140 PolarHBondContact O-N 3.32Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.45Å |
| 136 | Q | 98 | Very high | 97.9 | Very high | 165 Ų | 165 | 43.8 Ų | 43.8 | 77% | 0.771 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.2 | -42.8 | 171.9 | -175.7 | 179.4 | -1.9 | 0 | 0 | 111.6 | R132 A133 L134 W138 G139 | R132-Q136 WeakPolarHBondContact O-CB 3.27Å; R132-Q136 PolarHBondContact O-N 3.26Å; A133-Q136 PolarHBondContact O-N 2.8Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.24Å; Q136-W138 PolarHBondContact O-N 3.37Å; Q136-G139 PolarHBondContact O-N 3.31Å |
| 137 | E | 96.7 | Very high | 97.8 | Very high | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.542 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.4 | -38.8 | 173.3 | -175.5 | -165.4 | 140 | 0 | 0 | 111.4 | R94 A133 L134 | R94-E137 IonicContact CZ-OE1 3.68Å; R94-E137 IonicContact CZ-OE2 3.76Å; R94-E137 IonicContact NH1-OE1 2.84Å; R94-E137 PolarHBondContact NH1-OE1 2.88Å; R94-E137 IonicContact NH1-OE2 3.29Å; R94-E137 PolarHBondContact NH1-OE2 3.13Å; R94-E137 IonicContact NH2-OE1 3.73Å; R94-E137 IonicContact NH2-OE2 2.77Å; R94-E137 PolarHBondContact NH2-OE2 3.41Å; A133-E137 PolarHBondContact O-N 3.22Å; L134-E137 WeakPolarHBondContact O-CB 3.5Å; L134-E137 PolarHBondContact O-N 3.19Å |
| 138 | W | 95.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.1 | -11.2 | -179.4 | -65.6 | -6.4 | 0 | 0 | 0 | 114.6 | L80 I93 R94 R97 L111 L113 L134 A135 Q136 C140 | L80-W138 HydrophobicContact CD1-CH2 4.16Å; L80-W138 HydrophobicContact CD1-CZ3 3.81Å; I93-W138 HydrophobicContact CB-CH2 4.28Å; I93-W138 HydrophobicContact CD1-CH2 3.92Å; I93-W138 HydrophobicContact CD1-CZ3 4.5Å; I93-W138 HydrophobicContact CG1-CH2 4.2Å; R94-W138 HydrophobicContact CG-CZ2 3.82Å; R97-W138 HydrophobicContact CB-CH2 3.87Å; R97-W138 HydrophobicContact CB-CZ2 3.95Å; R97-W138 HydrophobicContact CB-CZ3 4.26Å; R97-W138 HydrophobicContact CG-CD2 4.06Å; R97-W138 HydrophobicContact CG-CE3 4.18Å; R97-W138 HydrophobicContact CG-CH2 4.19Å; R97-W138 HydrophobicContact CG-CZ2 4.08Å; R97-W138 HydrophobicContact CG-CZ3 4.24Å; L111-W138 HydrophobicContact CD2-CE3 4.1Å; L111-W138 HydrophobicContact CD2-CZ3 4.45Å; L113-W138 HydrophobicContact CB-CZ3 4.45Å; L113-W138 HydrophobicContact CD1-CZ3 3.99Å; L113-W138 HydrophobicContact CD2-CZ3 4.29Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L134-W138 HydrophobicContact CD1-CD2 4.22Å; L134-W138 VanDerWaalsContact CD1-CE2 3.49Å; L134-W138 HydrophobicContact CD1-CH2 4.39Å; L134-W138 HydrophobicContact CD1-CZ2 3.61Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.79Å; L134-W138 HydrophobicContact CD2-CZ3 4.34Å; L134-W138 HydrophobicContact CG-CD2 4.15Å; L134-W138 HydrophobicContact CG-CE3 4.39Å; L134-W138 HydrophobicContact CG-CH2 4.06Å; L134-W138 HydrophobicContact CG-CZ2 3.76Å; L134-W138 HydrophobicContact CG-CZ3 4.36Å; L134-W138 PolarHBondContact O-N 2.91Å; A135-W138 CarbonylContact O-C 3.54Å; A135-W138 PolarHBondContact O-N 3.17Å; Q136-W138 PolarHBondContact O-N 3.37Å; W138-C140 VanDerWaalsContact C-N 3.32Å |
| 139 | G | 95 | Very high | 97.8 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 73% | 0.732 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 35.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A135 Q136 | A135-G139 PolarHBondContact O-N 3.33Å; Q136-G139 PolarHBondContact O-N 3.31Å |
| 140 | C | 96.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -124.5 | 163.8 | 179.9 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | L111 A135 W138 | L111-C140 HydrophobicContact CD2-CB 3.91Å; L111-C140 VanDerWaalsContact CD2-SG 3.54Å; L111-C140 WeakPolarHBondContact O-CB 3.35Å; A135-C140 WeakPolarHBondContact CB-O 3.33Å; A135-C140 PolarHBondContact O-N 3.32Å; W138-C140 VanDerWaalsContact C-N 3.32Å | ||
| 141 | P | 98.2 | Very high | 97.7 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | trans | -67.7 | 153.9 | 172.8 | -18.3 | 31.7 | 0 | 0 | 0 | 112.7 | L111 I112 L113 E159 Q163 | L111-P141 WeakPolarHBondContact O-CD 3.04Å; I112-P141 HydrophobicContact CD1-CB 3.98Å; I112-P141 HydrophobicContact CG1-CB 4.1Å; L113-P141 PolarHBondContact N-O 3.01Å; P141-E159 HydrophobicContact CB-CG 4.24Å; P141-E159 HydrophobicContact CG-CG 4.2Å; P141-Q163 HydrophobicContact CG-CG 3.96Å | ||
| 142 | F | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.6 | 171.7 | 175.1 | -115.2 | 0 | 0 | 0 | 110.6 | Y82 L113 R132 A135 E144 | Y82-F142 HydrophobicContact CE1-CE2 4.04Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.15Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.44Å; L113-F142 HydrophobicContact CB-CD2 4.2Å; L113-F142 HydrophobicContact CD2-CD2 4.01Å; L113-F142 HydrophobicContact CD2-CE2 4.48Å; L113-F142 HydrophobicContact CG-CD2 3.86Å; L113-F142 HydrophobicContact CG-CE2 4.34Å; L113-F142 WeakPolarHBondContact O-CA 3.26Å; L113-F142 WeakPolarHBondContact O-CD2 3.31Å; R132-F142 HydrophobicContact CB-CD1 4.38Å; R132-F142 HydrophobicContact CG-CD1 3.47Å; R132-F142 VanDerWaalsContact CG-CD1 3.47Å; R132-F142 HydrophobicContact CG-CE1 3.9Å; R132-F142 HydrophobicContact CG-CG 4.43Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.45Å; F142-E144 HydrophobicContact CE1-CG 3.77Å; F142-E144 HydrophobicContact CE2-CG 4.46Å; F142-E144 HydrophobicContact CZ-CG 3.51Å |
| 143 | I | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.3 | 175.1 | -62.1 | -178.9 | 0 | 0 | 0 | 109.4 | I112 L113 V114 G115 T145 M152 E155 E159 | I112-I143 HydrophobicContact CD1-CD1 3.62Å; I112-I143 HydrophobicContact CD1-CG1 3.94Å; L113-I143 PolarHBondContact O-N 3.01Å; V114-I143 VanDerWaalsContact CA-O 3.3Å; V114-I143 WeakPolarHBondContact CA-O 3.5Å; G115-I143 PolarHBondContact N-O 3.13Å; I143-T145 HydrophobicContact CG2-CG2 3.68Å; I143-M152 HydrophobicContact CD1-CE 4.48Å; I143-M152 HydrophobicContact CG2-CB 3.59Å; I143-M152 HydrophobicContact CG2-CE 4.04Å; I143-M152 HydrophobicContact CG2-CG 4.15Å; I143-E155 HydrophobicContact CD1-CG 4.36Å; I143-E159 HydrophobicContact CD1-CB 4.33Å |
| 144 | E | 98.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.8 | 163.5 | -67.6 | -166.9 | 167.4 | 0 | 0 | 109.8 | L84 G115 V118 R124 G128 F142 | L84-E144 HydrophobicContact CD1-CB 4.38Å; L84-E144 HydrophobicContact CD1-CG 4.15Å; L84-E144 HydrophobicContact CD2-CG 4.45Å; G115-E144 CarbonylContact O-C 3.46Å; G115-E144 WeakPolarHBondContact O-CA 3.44Å; V118-E144 HydrophobicContact CB-CB 4.3Å; V118-E144 HydrophobicContact CG2-CB 4.22Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.44Å; R124-E144 IonicContact CZ-OE1 3.49Å; R124-E144 IonicContact CZ-OE2 3.88Å; R124-E144 IonicContact NH1-OE1 3.27Å; R124-E144 PolarHBondContact NH1-OE1 3.4Å; R124-E144 IonicContact NH1-OE2 3.5Å; R124-E144 IonicContact NH2-OE1 2.77Å; R124-E144 IonicContact NH2-OE2 3.93Å; R124-E144 PolarHBondContact NH2-OE2 2.9Å; G128-E144 WeakPolarHBondContact CA-OE1 3.37Å; F142-E144 HydrophobicContact CE1-CG 3.77Å; F142-E144 HydrophobicContact CE2-CG 4.46Å; F142-E144 HydrophobicContact CZ-CG 3.51Å |
| 145 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.8 | -174.4 | 61.8 | 0 | 0 | 0 | 0 | 112 | V114 G115 N116 K117 V118 I143 T151 M152 L156 | V114-T145 HydrophobicContact CG1-CG2 3.77Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.19Å; G115-T145 PolarHBondContact O-N 2.83Å; N116-T145 CarbonylContact C-O 3.56Å; N116-T145 WeakPolarHBondContact CA-O 3.46Å; N116-T145 PolarHBondContact OD1-O 2.9Å; N116-T145 PolarHBondContact OD1-OG1 3.3Å; K117-T145 PolarHBondContact N-O 2.91Å; V118-T145 WeakPolarHBondContact CG1-O 3.43Å; V118-T145 PolarHBondContact N-O 3.31Å; I143-T145 HydrophobicContact CG2-CG2 3.68Å; T145-T151 WeakPolarHBondContact CA-O 3.27Å; T145-M152 HydrophobicContact CG2-CB 4.1Å; T145-L156 HydrophobicContact CG2-CB 4.41Å; T145-L156 HydrophobicContact CG2-CD2 4.2Å |
| 146 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -136.1 | 112.8 | 162.9 | 167.4 | 0 | 0 | 0 | 0 | 109 | D119 K148 S149 K150 T151 | D119-S146 WeakPolarHBondContact OD1-CB 3.36Å; D119-S146 PolarHBondContact OD1-OG 2.73Å; S146-K148 PolarHBondContact O-N 3.36Å; S146-K148 PolarHBondContact OG-N 2.86Å; S146-S149 WeakPolarHBondContact CB-OG 3.5Å; S146-S149 PolarHBondContact OG-N 3.28Å; S146-S149 PolarHBondContact OG-OG 2.92Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.27Å; S146-K150 WeakPolarHBondContact O-CA 3.32Å; S146-K150 PolarHBondContact O-N 3.34Å; S146-T151 PolarHBondContact N-O 3.34Å; S146-T151 PolarHBondContact O-N 3.49Å |
| 147 | A | 97.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A18 L19 Q22 F28 N116 K150 | A18-A147 HydrophobicContact CB-CB 3.66Å; L19-A147 HydrophobicContact CD2-CB 3.94Å; L19-A147 HydrophobicContact CG-CB 4.19Å; Q22-A147 WeakPolarHBondContact CG-O 3.38Å; Q22-A147 PolarHBondContact NE2-O 2.88Å; F28-A147 HydrophobicContact CD2-CB 4.09Å; F28-A147 HydrophobicContact CE2-CB 4.06Å; N116-A147 PolarHBondContact OD1-N 3.42Å; A147-K150 PolarHBondContact O-N 3.14Å |
| 148 | K | 96.9 | Very high | 97.8 | Very high | 113 Ų | 113 | 39 Ų | 39 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -48.2 | -177.5 | -174.2 | 179.1 | -175.3 | 177.7 | 0 | 112.9 | F28 D119 S146 | F28-K148 HydrophobicContact CD1-CB 4.3Å; F28-K148 HydrophobicContact CD1-CG 4.04Å; F28-K148 HydrophobicContact CD2-CB 4.36Å; F28-K148 HydrophobicContact CE1-CB 4.03Å; F28-K148 HydrophobicContact CE1-CD 4.4Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.11Å; F28-K148 HydrophobicContact CG-CB 4.44Å; F28-K148 HydrophobicContact CZ-CB 3.95Å; F28-K148 HydrophobicContact CZ-CG 4.24Å; D119-K148 WeakPolarHBondContact OD2-CD 3.49Å; S146-K148 PolarHBondContact O-N 3.36Å; S146-K148 PolarHBondContact OG-N 2.86Å |
| 149 | S | 96.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 39 Ų | 39 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.2 | -178.9 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | S146 T151 | S146-S149 WeakPolarHBondContact CB-OG 3.5Å; S146-S149 PolarHBondContact OG-N 3.28Å; S146-S149 PolarHBondContact OG-OG 2.92Å; S149-T151 PolarHBondContact O-N 3.14Å; S149-T151 PolarHBondContact OG-OG1 2.8Å |
| 150 | K | 97.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 35.6 Ų | 35.6 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 19.3 | -172.1 | -153 | -177.9 | 175.9 | -152.5 | 0 | 114.1 | Q22 S146 A147 M152 V153 D154 | Q22-K150 HydrophobicContact CG-CB 4.32Å; Q22-K150 HydrophobicContact CG-CG 3.89Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.27Å; S146-K150 WeakPolarHBondContact O-CA 3.32Å; S146-K150 PolarHBondContact O-N 3.34Å; A147-K150 PolarHBondContact O-N 3.14Å; K150-M152 PolarHBondContact O-N 3.34Å; K150-V153 HydrophobicContact CG-CB 4.16Å; K150-V153 HydrophobicContact CG-CG2 4.34Å; K150-D154 WeakPolarHBondContact CE-OD2 3.28Å; K150-D154 IonicContact NZ-OD1 2.98Å; K150-D154 IonicContact NZ-OD2 2.75Å; K150-D154 PolarHBondContact NZ-OD2 3.46Å |
| 151 | T | 98.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 37% | 0.368 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -66 | 121.7 | 179.5 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | V118 T145 S146 S149 V153 | V118-T151 HydrophobicContact CG1-CG2 4.25Å; T145-T151 WeakPolarHBondContact CA-O 3.27Å; S146-T151 PolarHBondContact N-O 3.34Å; S146-T151 PolarHBondContact O-N 3.49Å; S149-T151 PolarHBondContact O-N 3.14Å; S149-T151 PolarHBondContact OG-OG1 2.8Å; T151-V153 PolarHBondContact O-N 2.99Å |
| 152 | M | 98.4 | Very high | 98 | Very high | 86 Ų | 86 | 35.4 Ų | 35.4 | 42% | 0.424 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 13.4 | 177.4 | -61 | -63.7 | -70.3 | 0 | 0 | 115.9 | I143 T145 K150 E155 L156 | I143-M152 HydrophobicContact CD1-CE 4.48Å; I143-M152 HydrophobicContact CG2-CB 3.59Å; I143-M152 HydrophobicContact CG2-CE 4.04Å; I143-M152 HydrophobicContact CG2-CG 4.15Å; T145-M152 HydrophobicContact CG2-CB 4.1Å; K150-M152 PolarHBondContact O-N 3.34Å; M152-E155 HydrophobicContact CE-CB 3.9Å; M152-E155 HydrophobicContact CE-CG 3.66Å; M152-E155 HydrophobicContact SD-CB 4.46Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 2.95Å |
| 153 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -49.4 | -177.5 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | L19 Q22 F23 K150 T151 E155 L156 F157 | L19-V153 HydrophobicContact CD2-CG2 3.84Å; Q22-V153 HydrophobicContact CB-CG1 4.44Å; Q22-V153 HydrophobicContact CG-CG1 4.23Å; Q22-V153 HydrophobicContact CG-CG2 4.29Å; F23-V153 HydrophobicContact CB-CG1 3.82Å; K150-V153 HydrophobicContact CG-CB 4.16Å; K150-V153 HydrophobicContact CG-CG2 4.34Å; T151-V153 PolarHBondContact O-N 2.99Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.36Å; V153-F157 HydrophobicContact CG1-CD2 4.46Å; V153-F157 HydrophobicContact CG1-CE2 4.28Å; V153-F157 VanDerWaalsContact O-CD2 3.29Å; V153-F157 WeakPolarHBondContact O-CD2 3.48Å |
| 154 | D | 97.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 35 Ų | 35 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.2 | -38.3 | -179.4 | -65.7 | -39.7 | 0 | 0 | 0 | 111.4 | F23 K150 F157 A158 | F23-D154 WeakPolarHBondContact CD2-OD1 3.23Å; K150-D154 WeakPolarHBondContact CE-OD2 3.28Å; K150-D154 IonicContact NZ-OD1 2.98Å; K150-D154 IonicContact NZ-OD2 2.75Å; K150-D154 PolarHBondContact NZ-OD2 3.46Å; D154-F157 PolarHBondContact O-N 3.14Å; D154-A158 PolarHBondContact O-N 2.92Å |
| 155 | E | 98.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 177.8 | -175.2 | 56.3 | -150.9 | 0 | 0 | 112.4 | I143 M152 V153 F157 A158 E159 R162 | I143-E155 HydrophobicContact CD1-CG 4.36Å; M152-E155 HydrophobicContact CE-CB 3.9Å; M152-E155 HydrophobicContact CE-CG 3.66Å; M152-E155 HydrophobicContact SD-CB 4.46Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; E155-F157 VanDerWaalsContact C-N 3.35Å; E155-F157 PolarHBondContact O-N 2.96Å; E155-A158 PolarHBondContact O-N 3.35Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.81Å; E155-R162 IonicContact OE1-CZ 3.65Å; E155-R162 IonicContact OE1-NH1 2.72Å; E155-R162 PolarHBondContact OE1-NH1 3.2Å; E155-R162 IonicContact OE1-NH2 3.74Å; E155-R162 IonicContact OE2-NH2 3.93Å |
| 156 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.3 | -49.6 | 174.4 | 165.3 | 59.6 | 0 | 0 | 0 | 112 | L19 I79 I112 V114 T145 M152 V153 E159 I160 | L19-L156 HydrophobicContact CD1-CD2 4.23Å; I79-L156 HydrophobicContact CD1-CD1 4.16Å; I79-L156 HydrophobicContact CD1-CG 4.19Å; I79-L156 HydrophobicContact CG1-CD1 4.37Å; I79-L156 HydrophobicContact CG2-CD1 3.99Å; I79-L156 HydrophobicContact CG2-CD2 4.21Å; I112-L156 HydrophobicContact CD1-CD1 3.84Å; I112-L156 HydrophobicContact CG1-CD1 4.2Å; I112-L156 HydrophobicContact CG2-CD1 3.72Å; V114-L156 HydrophobicContact CG1-CD2 4.22Å; V114-L156 HydrophobicContact CG2-CD1 3.38Å; V114-L156 HydrophobicContact CG2-CD2 4Å; V114-L156 HydrophobicContact CG2-CG 4.34Å; T145-L156 HydrophobicContact CG2-CB 4.41Å; T145-L156 HydrophobicContact CG2-CD2 4.2Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 2.95Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.36Å; L156-E159 PolarHBondContact O-N 3.39Å; L156-I160 PolarHBondContact O-N 2.86Å |
| 157 | F | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.8 | -27.9 | -177.6 | -71.7 | -80.5 | 0 | 0 | 0 | 112.6 | F23 L53 I55 I79 V153 D154 E155 I160 V161 | F23-F157 HydrophobicContact CB-CD2 3.54Å; F23-F157 HydrophobicContact CB-CE2 3.37Å; F23-F157 HydrophobicContact CB-CG 4.43Å; F23-F157 HydrophobicContact CB-CZ 4.14Å; F23-F157 HydrophobicContact CD1-CB 4.18Å; F23-F157 AromaticContact CD1-CD1 4Å; F23-F157 HydrophobicContact CD1-CD1 4Å; F23-F157 AromaticContact CD1-CD2 3.65Å; F23-F157 HydrophobicContact CD1-CD2 3.65Å; F23-F157 HydrophobicContact CD1-CE1 4.29Å; F23-F157 AromaticContact CD1-CE2 3.98Å; F23-F157 HydrophobicContact CD1-CE2 3.98Å; F23-F157 AromaticContact CD1-CG 3.67Å; F23-F157 HydrophobicContact CD1-CG 3.67Å; F23-F157 HydrophobicContact CD1-CZ 4.28Å; F23-F157 HydrophobicContact CD2-CB 3.95Å; F23-F157 AromaticContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CD2 3.47Å; F23-F157 VanDerWaalsContact CD2-CD2 3.47Å; F23-F157 HydrophobicContact CD2-CE2 4.24Å; F23-F157 AromaticContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CE1-CB 3.76Å; F23-F157 HydrophobicContact CE1-CD1 4.04Å; F23-F157 HydrophobicContact CE1-CD2 4.13Å; F23-F157 AromaticContact CE1-CG 3.71Å; F23-F157 HydrophobicContact CE1-CG 3.71Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 AromaticContact CE2-CD2 3.98Å; F23-F157 HydrophobicContact CE2-CD2 3.98Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.24Å; F23-F157 HydrophobicContact CG-CD1 4.45Å; F23-F157 AromaticContact CG-CD2 3.26Å; F23-F157 HydrophobicContact CG-CD2 3.26Å; F23-F157 AromaticContact CG-CE2 3.62Å; F23-F157 HydrophobicContact CG-CE2 3.62Å; F23-F157 AromaticContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CZ 4.35Å; F23-F157 HydrophobicContact CZ-CB 3.37Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.83Å; F23-F157 HydrophobicContact CZ-CG 3.83Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; L53-F157 HydrophobicContact CD2-CD1 4.19Å; I55-F157 HydrophobicContact CD1-CD1 3.88Å; I55-F157 HydrophobicContact CD1-CE1 3.65Å; I55-F157 HydrophobicContact CD1-CZ 4.39Å; I55-F157 HydrophobicContact CG1-CD1 4.47Å; I55-F157 HydrophobicContact CG1-CE1 4.24Å; I55-F157 HydrophobicContact CG2-CE1 4.23Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.67Å; I79-F157 HydrophobicContact CD1-CZ 4.32Å; V153-F157 HydrophobicContact CG1-CD2 4.46Å; V153-F157 HydrophobicContact CG1-CE2 4.28Å; V153-F157 VanDerWaalsContact O-CD2 3.29Å; V153-F157 WeakPolarHBondContact O-CD2 3.48Å; D154-F157 PolarHBondContact O-N 3.14Å; E155-F157 VanDerWaalsContact C-N 3.35Å; E155-F157 PolarHBondContact O-N 2.96Å; F157-I160 WeakPolarHBondContact O-CG2 3.41Å; F157-V161 WeakPolarHBondContact O-CG2 3.3Å |
| 158 | A | 98.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V46 D154 E155 I160 V161 R162 | V46-A158 HydrophobicContact CG2-CB 4.19Å; D154-A158 PolarHBondContact O-N 2.92Å; E155-A158 PolarHBondContact O-N 3.35Å; A158-I160 PolarHBondContact O-N 2.79Å; A158-V161 WeakPolarHBondContact O-CB 2.84Å; A158-V161 PolarHBondContact O-N 2.88Å; A158-V161 VanDerWaalsContact O-N 3.13Å; A158-R162 PolarHBondContact O-N 3.19Å; A158-R162 VanDerWaalsContact O-N 3.13Å |
| 159 | E | 98.3 | Very high | 91.5 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | -175.5 | -177 | 53 | -151.7 | 0 | 0 | 112.4 | I112 P141 I143 E155 L156 V161 R162 Q163 | I112-E159 HydrophobicContact CD1-CB 4.02Å; I112-E159 HydrophobicContact CD1-CG 3.7Å; P141-E159 HydrophobicContact CB-CG 4.24Å; P141-E159 HydrophobicContact CG-CG 4.2Å; I143-E159 HydrophobicContact CD1-CB 4.33Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.81Å; L156-E159 PolarHBondContact O-N 3.39Å; E159-V161 PolarHBondContact O-N 2.74Å; E159-R162 WeakPolarHBondContact O-CB 3.4Å; E159-R162 PolarHBondContact O-N 3Å; E159-R162 IonicContact OE2-CZ 3.92Å; E159-R162 IonicContact OE2-NH1 2.9Å; E159-R162 PolarHBondContact OE2-NH1 2.85Å; E159-Q163 WeakPolarHBondContact O-CG 3.44Å; E159-Q163 PolarHBondContact O-N 3.21Å; E159-Q163 PolarHBondContact OE1-NE2 2.94Å |
| 160 | I | 97.9 | Very high | 89 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -31 | 176.2 | -167.6 | 54.7 | 0 | 0 | 0 | 112.2 | V6 I79 P110 I112 L156 F157 A158 Q163 M164 | V6-I160 HydrophobicContact CG1-CG1 4.25Å; V6-I160 HydrophobicContact CG1-CG2 4.22Å; V6-I160 HydrophobicContact CG2-CG1 4.37Å; V6-I160 HydrophobicContact CG2-CG2 3.96Å; I79-I160 HydrophobicContact CD1-CG2 4.23Å; I79-I160 HydrophobicContact CG1-CB 4.36Å; I79-I160 HydrophobicContact CG1-CG1 4.22Å; I79-I160 HydrophobicContact CG1-CG2 4.49Å; P110-I160 HydrophobicContact CB-CD1 4.47Å; I112-I160 HydrophobicContact CG2-CB 4.31Å; I112-I160 HydrophobicContact CG2-CD1 4.1Å; L156-I160 PolarHBondContact O-N 2.86Å; F157-I160 WeakPolarHBondContact O-CG2 3.41Å; A158-I160 PolarHBondContact O-N 2.79Å; I160-Q163 HydrophobicContact CD1-CB 4.32Å; I160-Q163 PolarHBondContact O-N 2.68Å; I160-M164 HydrophobicContact CG1-CE 4.27Å; I160-M164 HydrophobicContact CG2-CE 4.49Å; I160-M164 WeakPolarHBondContact O-CE 3.27Å; I160-M164 WeakPolarHBondContact O-CG 3.32Å; I160-M164 PolarHBondContact O-N 2.94Å |
| 161 | V | 97.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 172.1 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | Y4 I44 V46 L53 F157 A158 E159 Q163 M164 N165 | Y4-V161 HydrophobicContact CD1-CG1 4.47Å; Y4-V161 HydrophobicContact CD2-CG1 4.22Å; Y4-V161 HydrophobicContact CD2-CG2 4.47Å; Y4-V161 HydrophobicContact CE1-CG1 4.05Å; Y4-V161 HydrophobicContact CE2-CG1 3.8Å; I44-V161 HydrophobicContact CD1-CG2 4.26Å; V46-V161 HydrophobicContact CB-CB 4.49Å; V46-V161 HydrophobicContact CB-CG1 4.1Å; V46-V161 HydrophobicContact CG1-CB 4.29Å; V46-V161 HydrophobicContact CG1-CG1 4.14Å; V46-V161 HydrophobicContact CG2-CB 4.04Å; V46-V161 HydrophobicContact CG2-CG1 4.02Å; V46-V161 HydrophobicContact CG2-CG2 4.25Å; L53-V161 HydrophobicContact CD1-CG2 3.54Å; L53-V161 HydrophobicContact CD2-CG2 4.06Å; L53-V161 HydrophobicContact CG-CG2 4Å; F157-V161 WeakPolarHBondContact O-CG2 3.3Å; A158-V161 WeakPolarHBondContact O-CB 2.84Å; A158-V161 PolarHBondContact O-N 2.88Å; A158-V161 VanDerWaalsContact O-N 3.13Å; E159-V161 PolarHBondContact O-N 2.74Å; V161-Q163 VanDerWaalsContact C-N 3.33Å; V161-Q163 PolarHBondContact O-N 3.16Å; V161-M164 HydrophobicContact CG2-CE 4.22Å; V161-M164 PolarHBondContact O-N 2.75Å; V161-N165 PolarHBondContact O-N 2.88Å; V161-N165 PolarHBondContact O-ND2 2.77Å |
| 162 | R | 96.1 | Very high | 84 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 174.9 | -60.6 | -166.9 | -166.1 | 99.4 | 0.2 | 110.9 | V46 D47 E155 A158 E159 M164 N165 Y166 | V46-R162 HydrophobicContact CG1-CG 3.78Å; D47-R162 IonicContact OD1-CZ 3.66Å; D47-R162 IonicContact OD1-NE 2.96Å; D47-R162 PolarHBondContact OD1-NE 3.31Å; D47-R162 IonicContact OD1-NH2 3.46Å; D47-R162 PolarHBondContact OD1-NH2 2.95Å; D47-R162 WeakPolarHBondContact OD2-CD 3.06Å; D47-R162 WeakPolarHBondContact OD2-CG 3.47Å; D47-R162 IonicContact OD2-NE 3.22Å; D47-R162 PolarHBondContact OD2-NE 3.47Å; E155-R162 IonicContact OE1-CZ 3.65Å; E155-R162 IonicContact OE1-NH1 2.72Å; E155-R162 PolarHBondContact OE1-NH1 3.2Å; E155-R162 IonicContact OE1-NH2 3.74Å; E155-R162 IonicContact OE2-NH2 3.93Å; A158-R162 PolarHBondContact O-N 3.19Å; A158-R162 VanDerWaalsContact O-N 3.13Å; E159-R162 WeakPolarHBondContact O-CB 3.4Å; E159-R162 PolarHBondContact O-N 3Å; E159-R162 IonicContact OE2-CZ 3.92Å; E159-R162 IonicContact OE2-NH1 2.9Å; E159-R162 PolarHBondContact OE2-NH1 2.85Å; R162-M164 VanDerWaalsContact C-N 3.33Å; R162-M164 PolarHBondContact O-N 3.07Å; R162-N165 WeakPolarHBondContact O-CB 3.17Å; R162-N165 PolarHBondContact O-N 3.15Å; R162-Y166 HydrophobicContact CB-CE2 4.27Å; R162-Y166 WeakPolarHBondContact O-CD2 3.32Å; R162-Y166 PolarHBondContact O-N 3.45Å |
| 163 | Q | 95.3 | Very high | 81.3 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.8 | -66.7 | -58.6 | -49.1 | 0 | 0 | 112.3 | P110 P141 E159 I160 V161 N165 Y166 S167 | P110-Q163 HydrophobicContact CB-CB 4.13Å; P141-Q163 HydrophobicContact CG-CG 3.96Å; E159-Q163 WeakPolarHBondContact O-CG 3.44Å; E159-Q163 PolarHBondContact O-N 3.21Å; E159-Q163 PolarHBondContact OE1-NE2 2.94Å; I160-Q163 HydrophobicContact CD1-CB 4.32Å; I160-Q163 PolarHBondContact O-N 2.68Å; V161-Q163 VanDerWaalsContact C-N 3.33Å; V161-Q163 PolarHBondContact O-N 3.16Å; Q163-N165 VanDerWaalsContact C-N 3.3Å; Q163-N165 PolarHBondContact O-N 2.99Å; Q163-Y166 PolarHBondContact O-N 3.4Å; Q163-S167 PolarHBondContact O-N 3.41Å; Q163-S167 PolarHBondContact O-OG 2.61Å |
| 164 | M | 94.1 | Very high | 78.7 | Confident | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.034 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 176.7 | -73.5 | -177.5 | -72.3 | 0 | 0 | 112.8 | Y4 V6 Q76 G77 P110 I160 V161 R162 T168 | Y4-M164 HydrophobicContact CD1-CB 3.9Å; Y4-M164 HydrophobicContact CD1-CE 3.64Å; Y4-M164 HydrophobicContact CD1-SD 3.89Å; Y4-M164 HydrophobicContact CE1-CB 4.13Å; Y4-M164 HydrophobicContact CG-CE 3.85Å; Y4-M164 HydrophobicContact CG-SD 4.43Å; V6-M164 HydrophobicContact CG2-CE 3.61Å; V6-M164 HydrophobicContact CG2-SD 4.46Å; Q76-M164 HydrophobicContact CB-CG 4.5Å; Q76-M164 HydrophobicContact CB-SD 3.61Å; G77-M164 PolarHBondContact N-SD 3.5Å; G77-M164 VanDerWaalsContact N-SD 3.4Å; P110-M164 HydrophobicContact CB-CB 4.38Å; P110-M164 HydrophobicContact CB-CG 3.58Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.88Å; I160-M164 HydrophobicContact CG1-CE 4.27Å; I160-M164 HydrophobicContact CG2-CE 4.49Å; I160-M164 WeakPolarHBondContact O-CE 3.27Å; I160-M164 WeakPolarHBondContact O-CG 3.32Å; I160-M164 PolarHBondContact O-N 2.94Å; V161-M164 HydrophobicContact CG2-CE 4.22Å; V161-M164 PolarHBondContact O-N 2.75Å; R162-M164 VanDerWaalsContact C-N 3.33Å; R162-M164 PolarHBondContact O-N 3.07Å; M164-T168 WeakPolarHBondContact O-CG2 3.19Å; M164-T168 PolarHBondContact O-N 2.93Å; M164-T168 PolarHBondContact O-OG1 2.53Å |
| 165 | N | 90.8 | Very high | 76.2 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 175.4 | -76.3 | -32.9 | 0 | 0 | 0 | 112.5 | K2 Y4 V161 R162 Q163 S167 T168 | K2-N165 PolarHBondContact NZ-OD1 2.86Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.23Å; Y4-N165 PolarHBondContact OH-ND2 3.05Å; Y4-N165 VanDerWaalsContact OH-ND2 3.14Å; Y4-N165 PolarHBondContact OH-OD1 3.27Å; V161-N165 PolarHBondContact O-N 2.88Å; V161-N165 PolarHBondContact O-ND2 2.77Å; R162-N165 WeakPolarHBondContact O-CB 3.17Å; R162-N165 PolarHBondContact O-N 3.15Å; Q163-N165 VanDerWaalsContact C-N 3.3Å; Q163-N165 PolarHBondContact O-N 2.99Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 3.01Å; N165-T168 PolarHBondContact O-N 2.93Å; N165-T168 VanDerWaalsContact O-N 3.14Å; N165-T168 PolarHBondContact O-OG1 3.45Å |
| 166 | Y | 81.5 | Confident | 73.7 | Confident | 153 Ų | 153 | 82.4 Ų | 82.4 | 60% | 0.6 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 176.4 | -75.2 | -66.8 | 0 | 0 | 0 | 112.4 | R162 Q163 T168 L169 | R162-Y166 HydrophobicContact CB-CE2 4.27Å; R162-Y166 WeakPolarHBondContact O-CD2 3.32Å; R162-Y166 PolarHBondContact O-N 3.45Å; Q163-Y166 PolarHBondContact O-N 3.4Å; Y166-T168 PolarHBondContact O-N 3.5Å; Y166-L169 HydrophobicContact CD1-CD1 4.13Å; Y166-L169 WeakPolarHBondContact O-CB 3.32Å; Y166-L169 PolarHBondContact O-N 2.82Å |
| 167 | S | 69.8 | Low | 71.2 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.4 | -15.5 | 177.7 | -62 | 0 | 0 | 0 | 0 | 114.3 | Q163 N165 | Q163-S167 PolarHBondContact O-N 3.41Å; Q163-S167 PolarHBondContact O-OG 2.61Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 3.01Å |
| 168 | T | 63.4 | Low | 69 | Low | 89 Ų | 89 | 95 Ų | 95 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.5 | 175 | 55.9 | 0 | 0 | 0 | 0 | 114 | M164 N165 Y166 | M164-T168 WeakPolarHBondContact O-CG2 3.19Å; M164-T168 PolarHBondContact O-N 2.93Å; M164-T168 PolarHBondContact O-OG1 2.53Å; N165-T168 PolarHBondContact O-N 2.93Å; N165-T168 VanDerWaalsContact O-N 3.14Å; N165-T168 PolarHBondContact O-OG1 3.45Å; Y166-T168 PolarHBondContact O-N 3.5Å |
| 169 | L | 55.5 | Low | 67 | Low | 115 Ų | 115 | 98.2 Ų | 98.2 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -73.5 | 127.2 | 173.7 | -66.1 | 171.5 | 0 | 0 | 0 | 108.8 | Y166 E171 | Y166-L169 HydrophobicContact CD1-CD1 4.13Å; Y166-L169 WeakPolarHBondContact O-CB 3.32Å; Y166-L169 PolarHBondContact O-N 2.82Å; L169-E171 PolarHBondContact O-N 3.46Å |
| 170 | P | 45.6 | Very low | 64.5 | Low | 113 Ų | 113 | 102.9 Ų | 102.9 | 73% | 0.734 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.4 | 168.9 | 23.5 | -29.8 | 0 | 0 | 0 | 107.5 | K172 | P170-K172 PolarHBondContact O-N 2.82Š|
| 171 | E | 49.7 | Very low | 62.5 | Low | 154 Ų | 154 | 109.7 Ų | 109.7 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -49 | 120.7 | 166.6 | -67.8 | -172 | 153.8 | 0 | 0 | 106.5 | L169 Q173 | L169-E171 PolarHBondContact O-N 3.46Å; E171-Q173 VanDerWaalsContact C-N 3.26Å; E171-Q173 PolarHBondContact O-N 3.21Å |
| 172 | K | 41.6 | Very low | 60.3 | Low | 203 Ų | 203 | 116.1 Ų | 116.1 | 88% | 0.883 | 64% | 0.637 | S | S | * | * | trans | -55.8 | 104.5 | 167.3 | -82.8 | -179.3 | 175.8 | 177.8 | 0 | 104.5 | P170 E174 | P170-K172 PolarHBondContact O-N 2.82Å; K172-E174 VanDerWaalsContact C-N 3.32Å; K172-E174 PolarHBondContact O-N 3.45Å | ||
| 173 | Q | 40.8 | Very low | 57.8 | Low | 177 Ų | 177 | 126.4 Ų | 126.4 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | trans | -52.1 | 109.9 | 162.3 | -81.7 | 180 | -9.2 | 0 | 0 | 104.5 | E171 Q175 | E171-Q173 VanDerWaalsContact C-N 3.26Å; E171-Q173 PolarHBondContact O-N 3.21Å; Q173-Q175 PolarHBondContact O-N 3.08Å | ||
| 174 | E | 44.4 | Very low | 56 | Low | 188 Ų | 188 | 130.7 Ų | 130.7 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -55.4 | 100.9 | 160.2 | -75.9 | -177.1 | 157 | 0 | 0 | 104.9 | K172 C176 | K172-E174 VanDerWaalsContact C-N 3.32Å; K172-E174 PolarHBondContact O-N 3.45Å; E174-C176 PolarHBondContact O-N 3.14Å | ||
| 175 | Q | 44 | Very low | 54 | Low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -63.5 | 83.8 | 165.5 | -111.5 | 174.5 | -1 | 0 | 0 | 105.4 | Q173 C177 | Q173-Q175 PolarHBondContact O-N 3.08Å; Q175-C177 PolarHBondContact O-N 3.13Å | ||
| 176 | C | 46.8 | Very low | 51.9 | Low | 117 Ų | 117 | 142.3 Ų | 142.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -61.3 | 107.6 | 163.8 | -168.8 | 0 | 0 | 0 | 0 | 105.4 | E174 T178 | E174-C176 PolarHBondContact O-N 3.14Å; C176-T178 PolarHBondContact O-N 3.29Å | ||
| 177 | C | 45.9 | Very low | 50.2 | Low | 114 Ų | 114 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -56.8 | 111.7 | -176.1 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | Q175 A179 | Q175-C177 PolarHBondContact O-N 3.13Å; C177-A179 PolarHBondContact O-N 3.14Å | ||
| 178 | T | 53.2 | Low | 49 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -70 | 80.4 | 162.9 | -7.3 | 0 | 0 | 0 | 0 | 108.4 | C176 | C176-T178 PolarHBondContact O-N 3.29Š| ||
| 179 | A | 55.1 | Low | 48 | Very low | 78 Ų | 78 | 150.9 Ų | 150.9 | 65% | 0.645 | 83% | 0.829 | S | S | * | * | trans | -151.3 | 71.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C177 | C177-A179 PolarHBondContact O-N 3.14Š| ||
| 180 | C | 46.8 | Very low | 47.5 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 89% | 0.892 | 85% | 0.845 | S | S | * | * | trans | -142.1 | 66.5 | 153.2 | -84.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 181 | V | 55.8 | Low | 47.6 | Very low | 143 Ų | 143 | 156.6 Ų | 156.6 | 87% | 0.867 | 85% | 0.853 | S | S | * | * | trans | -94.6 | 101.5 | 149.8 | 179.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 182 | V | 50 | Low | 47.4 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | -135.8 | 132.5 | 156 | -172.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 183 | Q | 44.8 | Very low | 48 | Very low | 261 Ų | 261 | 152.6 Ų | 152.6 | 100% | 1.22 | 86% | 0.863 | S | S | * | * | trans | -49.1 | 0 | -170.6 | -70.9 | 164.1 | -28.8 | 0 | 0 | 116.1 |
Retrieved 183 of 183 residues in 314 ms
(Link to these results)