| 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 | 82.5 | Confident | 96.3 | Very high | 132 Ų | 132 | 38.5 Ų | 38.5 | 65% | 0.65 | 18% | 0.18 | S | C | * | . | 0 | 145.2 | 0 | -164 | 177.5 | -67.1 | 0 | 0 | 107.9 | P50 S51 V52 | M1-P50 HydrophobicContact CE-CB 3.88Å; M1-P50 HydrophobicContact CG-CB 4.47Å; M1-P50 WeakPolarHBondContact CG-O 3.46Å; M1-P50 HydrophobicContact SD-CB 4.16Å; M1-S51 PolarHBondContact SD-N 2.76Å; M1-V52 HydrophobicContact CG-CG2 4.32Å; M1-V52 HydrophobicContact SD-CG2 3.68Å | |||
| 2 | R | 93 | Very high | 96.2 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 138.6 | 179.3 | -170 | 172.5 | 166.3 | -170.9 | -21.7 | 109.9 | F4 S51 V52 N165 Q168 | R2-F4 HydrophobicContact CB-CE2 4.08Å; R2-F4 HydrophobicContact CG-CD2 4.43Å; R2-F4 HydrophobicContact CG-CE2 3.81Å; R2-F4 HydrophobicContact CG-CZ 3.98Å; R2-F4 VanDerWaalsContact CZ-CZ 3.45Å; R2-F4 VanDerWaalsContact NE-CZ 3.3Å; R2-S51 CarbonylContact O-C 3.56Å; R2-S51 WeakPolarHBondContact O-CA 3.26Å; R2-V52 PolarHBondContact O-N 2.94Å; R2-N165 PolarHBondContact NH1-OD1 3.21Å; R2-N165 PolarHBondContact NH2-OD1 3.07Å; R2-Q168 VanDerWaalsContact NH2-NE2 3.13Å |
| 3 | E | 96.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 139.5 | 177.1 | -54.2 | -166.4 | 142.9 | 0 | 0 | 110.5 | R41 V52 | E3-R41 IonicContact OE1-CZ 3.45Å; E3-R41 IonicContact OE1-NH2 3.57Å; E3-R41 PolarHBondContact OE1-NH2 3.3Å; E3-V52 CarbonylContact C-O 3.52Å; E3-V52 WeakPolarHBondContact CA-O 3.42Å; E3-V52 HydrophobicContact CG-CB 4.16Å |
| 4 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.3 | 179 | -66.4 | -91.2 | 0 | 0 | 0 | 110.1 | R2 V52 L53 E54 V161 M164 N165 | R2-F4 HydrophobicContact CB-CE2 4.08Å; R2-F4 HydrophobicContact CG-CD2 4.43Å; R2-F4 HydrophobicContact CG-CE2 3.81Å; R2-F4 HydrophobicContact CG-CZ 3.98Å; R2-F4 VanDerWaalsContact CZ-CZ 3.45Å; R2-F4 VanDerWaalsContact NE-CZ 3.3Å; F4-V52 PolarHBondContact N-O 2.84Å; F4-L53 HydrophobicContact CB-CD1 3.75Å; F4-E54 PolarHBondContact O-N 3.4Å; F4-V161 HydrophobicContact CD2-CG1 4.18Å; F4-V161 HydrophobicContact CE1-CG1 4.35Å; F4-V161 HydrophobicContact CE2-CG1 3.88Å; F4-V161 HydrophobicContact CZ-CG1 3.96Å; F4-M164 HydrophobicContact CB-CE 3.63Å; F4-M164 HydrophobicContact CB-SD 4.19Å; F4-M164 HydrophobicContact CD1-CB 3.74Å; F4-M164 HydrophobicContact CD1-CE 3.65Å; F4-M164 HydrophobicContact CD1-CG 4.39Å; F4-M164 HydrophobicContact CD1-SD 3.8Å; F4-M164 HydrophobicContact CE1-CB 3.79Å; F4-M164 HydrophobicContact CG-CE 3.96Å; F4-M164 HydrophobicContact CG-SD 4.47Å; F4-N165 WeakPolarHBondContact CZ-OD1 3.37Å |
| 5 | K | 98.6 | Very high | 96.3 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 39% | 0.391 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.2 | 176.6 | -50.6 | -166.9 | -176.9 | -122.1 | 0 | 110.1 | E54 Q76 G77 | K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CD-OE2 3.38Å; K5-E54 WeakPolarHBondContact CE-OE2 3.48Å; K5-E54 HydrophobicContact CG-CB 4.33Å; K5-E54 WeakPolarHBondContact CG-OE2 3.42Å; K5-E54 IonicContact NZ-OE1 2.83Å; K5-E54 IonicContact NZ-OE2 3.89Å; K5-E54 PolarHBondContact NZ-OE2 3.23Å; K5-Q76 HydrophobicContact CB-CG 4.23Å; K5-Q76 WeakPolarHBondContact O-CA 3.4Å; K5-Q76 WeakPolarHBondContact O-CB 3.32Å; K5-Q76 PolarHBondContact O-N 3.17Å; K5-G77 PolarHBondContact O-N 3.35Å; K5-G77 VanDerWaalsContact O-N 3.13Å |
| 6 | V | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.9 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | L53 E54 I55 L56 G77 V79 I160 | V6-L53 HydrophobicContact CB-CD1 4.12Å; V6-L53 HydrophobicContact CG1-CD1 3.66Å; V6-L53 HydrophobicContact CG1-CD2 4.26Å; V6-L53 HydrophobicContact CG1-CG 4.01Å; V6-E54 WeakPolarHBondContact CG1-O 3.35Å; V6-E54 PolarHBondContact N-O 3.39Å; V6-I55 HydrophobicContact CG1-CB 4.08Å; V6-I55 HydrophobicContact CG1-CG1 3.71Å; V6-I55 HydrophobicContact CG1-CG2 4.1Å; V6-L56 PolarHBondContact O-N 2.97Å; V6-G77 WeakPolarHBondContact CA-O 3.28Å; V6-V79 HydrophobicContact CG2-CB 4.49Å; V6-V79 HydrophobicContact CG2-CG2 3.7Å; V6-I160 HydrophobicContact CG2-CG1 3.72Å; V6-I160 HydrophobicContact CG2-CG2 4.12Å |
| 7 | V | 98.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130 | 172.7 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | L9 L56 T58 G77 F78 V79 | V7-L9 HydrophobicContact CG1-CD1 4.3Å; V7-L9 HydrophobicContact CG1-CD2 3.94Å; V7-L9 HydrophobicContact CG1-CG 3.88Å; V7-L56 WeakPolarHBondContact CA-O 3.4Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.26Å; V7-L56 HydrophobicContact CG1-CG 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V7-L56 HydrophobicContact CG2-CD2 4.26Å; V7-T58 HydrophobicContact CG1-CG2 3.67Å; V7-G77 PolarHBondContact N-O 3.44Å; V7-F78 HydrophobicContact CB-CD1 4.06Å; V7-F78 HydrophobicContact CB-CE1 4.16Å; V7-F78 HydrophobicContact CG2-CE1 4.16Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; V7-V79 PolarHBondContact O-N 3.18Å |
| 8 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.2 | 177.7 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | K16 I55 L56 T58 V79 V81 F157 | V8-K16 HydrophobicContact CG1-CB 3.75Å; V8-K16 HydrophobicContact CG1-CD 4.19Å; V8-K16 HydrophobicContact CG1-CG 4Å; V8-I55 HydrophobicContact CG2-CG2 3.67Å; V8-L56 PolarHBondContact N-O 3.09Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.11Å; V8-V79 WeakPolarHBondContact CA-O 3.5Å; V8-V79 HydrophobicContact CG1-CB 4.4Å; V8-V79 HydrophobicContact CG1-CG1 4.34Å; V8-V79 HydrophobicContact CG2-CB 4.4Å; V8-V81 HydrophobicContact CG1-CG2 3.8Å; V8-F157 HydrophobicContact CG2-CE1 4.39Å |
| 9 | L | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 155.9 | -173.3 | -65.7 | 167.6 | 0 | 0 | 0 | 111 | V7 K16 T58 R68 I72 F78 V79 V81 I100 | V7-L9 HydrophobicContact CG1-CD1 4.3Å; V7-L9 HydrophobicContact CG1-CD2 3.94Å; V7-L9 HydrophobicContact CG1-CG 3.88Å; L9-K16 VanDerWaalsContact C-CD 3.43Å; L9-T58 HydrophobicContact CD2-CG2 4.16Å; L9-R68 HydrophobicContact CD2-CG 4.14Å; L9-I72 HydrophobicContact CD1-CD1 4.45Å; L9-I72 HydrophobicContact CD1-CG1 4.05Å; L9-F78 HydrophobicContact CD1-CD1 3.92Å; L9-V79 PolarHBondContact N-O 3.06Å; L9-V81 PolarHBondContact O-N 2.62Å; L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 3.96Å |
| 10 | G | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | trans | 147.9 | 161.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 G60 V81 | G10-K16 PolarHBondContact O-NZ 3.47Å; G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.37Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å | ||
| 11 | S | 96.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 12% | 0.119 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -57.2 | 166.1 | -177.6 | -48.8 | 0 | 0 | 0 | 0 | 113.2 | V14 K16 G60 D92 | S11-V14 VanDerWaalsContact O-CG2 3.29Å; S11-V14 WeakPolarHBondContact O-CG2 3.37Å; S11-K16 PolarHBondContact O-NZ 3.14Å; S11-G60 CarbonylContact C-O 3.56Å; S11-D92 VanDerWaalsContact OG-CB 3.23Å; S11-D92 WeakPolarHBondContact OG-CB 3.12Å; S11-D92 PolarHBondContact OG-OD2 3.18Å |
| 12 | G | 94.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 22.3 Ų | 22.3 | 35% | 0.351 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 141.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V14 G60 | G12-V14 PolarHBondContact O-N 3.27Å; G12-V14 VanDerWaalsContact O-N 3.13Å; G12-G60 PolarHBondContact N-O 2.94Å |
| 13 | G | 95 | Very high | 97.9 | Very high | 28 Ų | 28 | 18.4 Ų | 18.4 | 29% | 0.289 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 3.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117 | G15 Y32 K117 | G13-G15 PolarHBondContact O-N 3.42Å; G13-Y32 PolarHBondContact N-OH 3.26Å; G13-K117 VanDerWaalsContact O-CE 3.3Å; G13-K117 WeakPolarHBondContact O-CE 3.29Å; G13-K117 PolarHBondContact O-NZ 2.94Å |
| 14 | V | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -69.2 | -16.4 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | S11 G12 K16 V81 T89 N116 | S11-V14 VanDerWaalsContact O-CG2 3.29Å; S11-V14 WeakPolarHBondContact O-CG2 3.37Å; G12-V14 PolarHBondContact O-N 3.27Å; G12-V14 VanDerWaalsContact O-N 3.13Å; V14-K16 HydrophobicContact CG2-CD 4.27Å; V14-K16 HydrophobicContact CG2-CG 3.55Å; V14-V81 HydrophobicContact CB-CG1 4.28Å; V14-V81 HydrophobicContact CG2-CB 3.97Å; V14-V81 HydrophobicContact CG2-CG1 3.87Å; V14-T89 HydrophobicContact CG1-CG2 3.65Å; V14-N116 PolarHBondContact O-ND2 2.92Å |
| 15 | G | 98.1 | Very high | 97.8 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 97.4 | 29.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 3.42Å; G15-A18 PolarHBondContact O-N 3.2Å; G15-L19 VanDerWaalsContact O-CB 3.28Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 3.43Å |
| 16 | K | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.7 | -55.5 | 175 | -55.7 | -171.3 | -57.9 | -71.3 | 0 | 111.9 | V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 V81 | V8-K16 HydrophobicContact CG1-CB 3.75Å; V8-K16 HydrophobicContact CG1-CD 4.19Å; V8-K16 HydrophobicContact CG1-CG 4Å; L9-K16 VanDerWaalsContact C-CD 3.43Å; G10-K16 PolarHBondContact O-NZ 3.47Å; S11-K16 PolarHBondContact O-NZ 3.14Å; V14-K16 HydrophobicContact CG2-CD 4.27Å; V14-K16 HydrophobicContact CG2-CG 3.55Å; K16-A18 PolarHBondContact O-N 3.2Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 2.99Å; K16-L19 VanDerWaalsContact O-N 3.11Å; K16-T20 PolarHBondContact O-N 3.48Å; K16-T20 PolarHBondContact O-OG1 3.13Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; K16-D57 WeakPolarHBondContact CB-OD1 3.16Å; K16-T58 WeakPolarHBondContact CE-O 3.47Å; K16-T58 PolarHBondContact NZ-O 3.21Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.32Å |
| 17 | S | 97.9 | Very high | 97.5 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 179.7 | -39.8 | 0 | 0 | 0 | 0 | 112.1 | L19 T20 V21 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.3Å; S17-L19 PolarHBondContact O-N 3.21Å; S17-T20 PolarHBondContact O-N 3.38Å; S17-V21 WeakPolarHBondContact O-CB 3.49Å; S17-V21 VanDerWaalsContact O-CG2 3.28Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.39Å; S17-T35 PolarHBondContact OG-OG1 3.19Å; S17-D57 WeakPolarHBondContact CA-OD2 3.47Å; S17-D57 WeakPolarHBondContact CB-OD2 3.29Å; S17-D57 PolarHBondContact OG-OD2 2.85Å |
| 18 | A | 98.2 | Very high | 97.2 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 22% | 0.223 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G15 K16 Q22 F28 A147 | G15-A18 PolarHBondContact O-N 3.2Å; K16-A18 PolarHBondContact O-N 3.2Å; A18-Q22 WeakPolarHBondContact O-CB 3.4Å; A18-Q22 PolarHBondContact O-N 3.1Å; A18-F28 HydrophobicContact CB-CD2 4.28Å; A18-F28 HydrophobicContact CB-CE2 3.9Å; A18-A147 HydrophobicContact CB-CB 3.79Å |
| 19 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 177.3 | -173 | 63.3 | 0 | 0 | 0 | 111.6 | G15 K16 S17 F23 V81 V114 C145 A147 V153 V156 F157 | G15-L19 VanDerWaalsContact O-CB 3.28Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 3.43Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 2.99Å; K16-L19 VanDerWaalsContact O-N 3.11Å; S17-L19 VanDerWaalsContact C-N 3.3Å; S17-L19 PolarHBondContact O-N 3.21Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.99Å; L19-V81 HydrophobicContact CD2-CG2 4.43Å; L19-V114 HydrophobicContact CD2-CG1 4.22Å; L19-C145 HydrophobicContact CD1-CB 4.48Å; L19-A147 HydrophobicContact CB-CB 4.37Å; L19-A147 HydrophobicContact CD1-CB 4.49Å; L19-V153 HydrophobicContact CD1-CB 4.25Å; L19-V153 HydrophobicContact CD1-CG1 4.04Å; L19-V153 HydrophobicContact CD1-CG2 3.79Å; L19-V156 HydrophobicContact CD2-CG1 4.15Å; L19-F157 HydrophobicContact CG-CE2 4.1Å; L19-F157 HydrophobicContact CG-CZ 4.44Å |
| 20 | T | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -49 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | K16 S17 F23 V24 Y40 I55 D57 | K16-T20 PolarHBondContact O-N 3.48Å; K16-T20 PolarHBondContact O-OG1 3.13Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; S17-T20 PolarHBondContact O-N 3.38Å; T20-F23 WeakPolarHBondContact O-CB 3.47Å; T20-F23 PolarHBondContact O-N 3.33Å; T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 VanDerWaalsContact O-CG2 3.29Å; T20-V24 WeakPolarHBondContact O-CG2 3.47Å; T20-V24 PolarHBondContact O-N 3.24Å; T20-Y40 HydrophobicContact CG2-CD2 3.4Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.4Å; T20-Y40 HydrophobicContact CG2-CE2 3.69Å; T20-Y40 HydrophobicContact CG2-CG 4Å; T20-I55 HydrophobicContact CG2-CB 4.37Å; T20-I55 HydrophobicContact CG2-CD1 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.75Å; T20-D57 HydrophobicContact CG2-CB 4.38Å |
| 21 | V | 97.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | S17 F23 V24 S25 I29 | S17-V21 WeakPolarHBondContact O-CB 3.49Å; S17-V21 VanDerWaalsContact O-CG2 3.28Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.39Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 3.05Å; V21-V24 PolarHBondContact O-N 3.37Å; V21-S25 WeakPolarHBondContact O-CA 3.12Å; V21-S25 WeakPolarHBondContact O-CB 3.44Å; V21-S25 PolarHBondContact O-N 3.21Å; V21-I29 HydrophobicContact CG1-CD1 4.23Å |
| 22 | Q | 98.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 174.4 | -175.1 | 64.5 | 12.6 | 0 | 0 | 111 | A18 N26 T27 A147 A150 V153 | A18-Q22 WeakPolarHBondContact O-CB 3.4Å; A18-Q22 PolarHBondContact O-N 3.1Å; Q22-N26 WeakPolarHBondContact O-CA 3.37Å; Q22-N26 PolarHBondContact O-N 3.16Å; Q22-T27 PolarHBondContact OE1-O 3.3Å; Q22-A147 WeakPolarHBondContact CG-O 3.37Å; Q22-A150 HydrophobicContact CG-CB 4.4Å; Q22-V153 HydrophobicContact CB-CG1 4.17Å; Q22-V153 HydrophobicContact CB-CG2 4.49Å; Q22-V153 HydrophobicContact CG-CB 4.36Å; Q22-V153 HydrophobicContact CG-CG1 4.04Å; Q22-V153 HydrophobicContact CG-CG2 3.89Å |
| 23 | F | 98.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.9 | -47.4 | 175.6 | 172.9 | -112.6 | 0 | 0 | 0 | 112.3 | L19 T20 V21 K42 I44 L53 I55 V153 N154 F157 | L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.99Å; T20-F23 WeakPolarHBondContact O-CB 3.47Å; T20-F23 PolarHBondContact O-N 3.33Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 3.05Å; F23-K42 HydrophobicContact CD1-CD 4.22Å; F23-K42 HydrophobicContact CE1-CB 4.21Å; F23-K42 HydrophobicContact CE1-CD 3.71Å; F23-K42 HydrophobicContact CE1-CG 4.24Å; F23-K42 HydrophobicContact CE2-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.83Å; F23-K42 HydrophobicContact CZ-CG 4.34Å; F23-K42 PolarHBondContact O-NZ 2.87Å; F23-I44 HydrophobicContact CE2-CD1 4.33Å; F23-I44 HydrophobicContact CZ-CD1 4.03Å; F23-L53 HydrophobicContact CE1-CD2 4.27Å; F23-I55 HydrophobicContact CD1-CD1 3.53Å; F23-I55 HydrophobicContact CE1-CD1 3.67Å; F23-V153 HydrophobicContact CB-CG1 3.64Å; F23-N154 WeakPolarHBondContact CD2-OD1 3.25Å; F23-F157 HydrophobicContact CB-CD2 3.42Å; F23-F157 VanDerWaalsContact CB-CD2 3.42Å; F23-F157 HydrophobicContact CB-CE2 3.29Å; F23-F157 HydrophobicContact CB-CG 4.38Å; F23-F157 HydrophobicContact CB-CZ 4.16Å; F23-F157 HydrophobicContact CD1-CB 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.12Å; F23-F157 AromaticContact CD1-CD2 3.6Å; F23-F157 HydrophobicContact CD1-CD2 3.6Å; F23-F157 HydrophobicContact CD1-CE1 4.41Å; F23-F157 AromaticContact CD1-CE2 3.93Å; F23-F157 HydrophobicContact CD1-CE2 3.93Å; F23-F157 AromaticContact CD1-CG 3.69Å; F23-F157 HydrophobicContact CD1-CG 3.69Å; F23-F157 HydrophobicContact CD1-CZ 4.32Å; F23-F157 HydrophobicContact CD2-CB 3.99Å; F23-F157 AromaticContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CE2 4.32Å; F23-F157 AromaticContact CD2-CG 4Å; F23-F157 HydrophobicContact CD2-CG 4Å; F23-F157 HydrophobicContact CE1-CB 3.95Å; F23-F157 HydrophobicContact CE1-CD1 4.31Å; F23-F157 HydrophobicContact CE1-CD2 4.23Å; F23-F157 AromaticContact CE1-CG 3.9Å; F23-F157 HydrophobicContact CE1-CG 3.9Å; F23-F157 HydrophobicContact CE2-CB 3.74Å; F23-F157 HydrophobicContact CE2-CD2 4.18Å; F23-F157 HydrophobicContact CE2-CG 4.19Å; F23-F157 HydrophobicContact CG-CB 4.22Å; F23-F157 AromaticContact CG-CD2 3.2Å; F23-F157 HydrophobicContact CG-CD2 3.2Å; F23-F157 AromaticContact CG-CE2 3.59Å; F23-F157 HydrophobicContact CG-CE2 3.59Å; F23-F157 AromaticContact CG-CG 3.74Å; F23-F157 HydrophobicContact CG-CG 3.74Å; F23-F157 HydrophobicContact CG-CZ 4.4Å; F23-F157 HydrophobicContact CZ-CB 3.72Å; F23-F157 HydrophobicContact CZ-CD2 4.5Å; F23-F157 HydrophobicContact CZ-CG 4.15Å |
| 24 | V | 97.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.4 | -42.8 | -172.7 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | T20 V21 Y40 I55 | T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 VanDerWaalsContact O-CG2 3.29Å; T20-V24 WeakPolarHBondContact O-CG2 3.47Å; T20-V24 PolarHBondContact O-N 3.24Å; V21-V24 PolarHBondContact O-N 3.37Å; V24-Y40 HydrophobicContact CB-CD1 4.31Å; V24-Y40 HydrophobicContact CG1-CD1 4.04Å; V24-Y40 HydrophobicContact CG2-CD1 4.13Å; V24-Y40 HydrophobicContact CG2-CG 4.08Å; V24-I55 HydrophobicContact CG2-CD1 4.13Å |
| 25 | S | 95.7 | Very high | 93.6 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -115 | 1.3 | -167.8 | -53.8 | 0 | 0 | 0 | 0 | 114.2 | V21 T27 | V21-S25 WeakPolarHBondContact O-CA 3.12Å; V21-S25 WeakPolarHBondContact O-CB 3.44Å; V21-S25 PolarHBondContact O-N 3.21Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 PolarHBondContact O-OG1 3.39Å |
| 26 | N | 96.1 | Very high | 93.2 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 50.6 | 30.8 | -176.5 | -65.4 | -40.5 | 0 | 0 | 0 | 113.5 | Q22 | Q22-N26 WeakPolarHBondContact O-CA 3.37Å; Q22-N26 PolarHBondContact O-N 3.16Å |
| 27 | T | 94.7 | Very high | 93 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | trans | -135.7 | 134.8 | -174.4 | -57 | 0 | 0 | 0 | 0 | 110.5 | Q22 S25 | Q22-T27 PolarHBondContact OE1-O 3.3Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 PolarHBondContact O-OG1 3.39Å | ||
| 28 | F | 93.4 | Very high | 93 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 30% | 0.303 | 36% | 0.363 | S | S | . | . | trans | -101.9 | 120.1 | 174.9 | -179.7 | -99.4 | 0 | 0 | 0 | 109.5 | A18 E30 A147 K148 | A18-F28 HydrophobicContact CB-CD2 4.28Å; A18-F28 HydrophobicContact CB-CE2 3.9Å; F28-E30 HydrophobicContact CD1-CG 4.16Å; F28-E30 HydrophobicContact CE1-CB 4.49Å; F28-E30 HydrophobicContact CE1-CG 4Å; F28-A147 HydrophobicContact CD2-CB 4.31Å; F28-A147 HydrophobicContact CE2-CB 4.34Å; F28-K148 HydrophobicContact CD1-CG 4.21Å; F28-K148 HydrophobicContact CD2-CB 4.32Å; F28-K148 HydrophobicContact CE1-CB 4.36Å; F28-K148 HydrophobicContact CE1-CG 3.96Å; F28-K148 HydrophobicContact CE2-CB 4.03Å; F28-K148 HydrophobicContact CZ-CB 4.06Å; F28-K148 HydrophobicContact CZ-CG 4.13Å | ||
| 29 | I | 89.8 | Confident | 92.9 | Very high | 106 Ų | 106 | 74.7 Ų | 74.7 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | trans | -95.9 | 114.9 | 177.1 | -57.5 | 174.9 | 0 | 0 | 0 | 107.9 | V21 K31 | V21-I29 HydrophobicContact CG1-CD1 4.23Å; I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 HydrophobicContact CG2-CB 4.22Å; I29-K31 PolarHBondContact O-N 3.14Å | ||
| 30 | E | 86 | Confident | 92.9 | Very high | 168 Ų | 168 | 77.2 Ų | 77.2 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | trans | -67.3 | -30 | -178.8 | -61.4 | -165.8 | 154.7 | 0 | 0 | 112.8 | F28 Y32 | F28-E30 HydrophobicContact CD1-CG 4.16Å; F28-E30 HydrophobicContact CE1-CB 4.49Å; F28-E30 HydrophobicContact CE1-CG 4Å; E30-Y32 PolarHBondContact O-N 2.65Å | ||
| 31 | K | 86.7 | Confident | 92.9 | Very high | 170 Ų | 170 | 83.9 Ų | 83.9 | 74% | 0.739 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -71.5 | 121.2 | 178.1 | -172.6 | -176.7 | 176.9 | -169.6 | 0 | 109.9 | I29 | I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 HydrophobicContact CG2-CB 4.22Å; I29-K31 PolarHBondContact O-N 3.14Å |
| 32 | Y | 77.8 | Confident | 92.9 | Very high | 137 Ų | 137 | 85.2 Ų | 85.2 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | trans | -88.5 | 127.6 | 173 | 179.8 | -106.6 | 0 | 0 | 0 | 110.9 | G13 E30 P34 | G13-Y32 PolarHBondContact N-OH 3.26Å; E30-Y32 PolarHBondContact O-N 2.65Å; Y32-P34 HydrophobicContact CE1-CG 3.87Å | ||
| 33 | D | 85.9 | Confident | 92.9 | Very high | 119 Ų | 119 | 91.3 Ų | 91.3 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | trans | -126.8 | 125.7 | 167.7 | -162.9 | -2.8 | 0 | 0 | 0 | 108.2 | T35 | D33-T35 PolarHBondContact O-N 3.24Å; D33-T35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | P | 89.6 | Confident | 92.9 | Very high | 75 Ų | 75 | 92.3 Ų | 92.3 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | trans | -59.1 | 114.5 | 177 | -24.8 | 34.3 | 0 | 0 | 0 | 112.6 | Y32 | Y32-P34 HydrophobicContact CE1-CG 3.87Š| ||
| 35 | T | 89.3 | Confident | 92.9 | Very high | 20 Ų | 20 | 97.1 Ų | 97.1 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | trans | -66.6 | 142.5 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | S17 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3.19Å; D33-T35 PolarHBondContact O-N 3.24Å; D33-T35 VanDerWaalsContact O-N 3.12Å; T35-D38 HydrophobicContact CG2-CB 4.41Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.4Å; T35-A59 WeakPolarHBondContact O-CA 3.35Å; T35-A59 WeakPolarHBondContact O-CB 3.18Å | ||
| 36 | I | 89.2 | Confident | 92.9 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 46% | 0.456 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -88.3 | -66 | 163.3 | -58.4 | -175.1 | 0 | 0 | 0 | 108.3 | A59 F64 M67 | I36-A59 WeakPolarHBondContact O-CB 3.38Å; I36-A59 PolarHBondContact O-N 3.17Å; I36-F64 HydrophobicContact CB-CE1 4.47Å; I36-F64 HydrophobicContact CB-CZ 4.26Å; I36-F64 HydrophobicContact CD1-CE1 4.22Å; I36-F64 HydrophobicContact CD1-CZ 3.84Å; I36-F64 HydrophobicContact CG1-CE1 4.15Å; I36-F64 HydrophobicContact CG1-CE2 4.01Å; I36-F64 HydrophobicContact CG1-CZ 3.57Å; I36-F64 HydrophobicContact CG2-CD1 4.04Å; I36-F64 HydrophobicContact CG2-CE1 3.74Å; I36-F64 HydrophobicContact CG2-CZ 4.02Å; I36-M67 HydrophobicContact CG2-CE 4.16Å |
| 37 | E | 93.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 144.3 | 167.6 | 61.7 | -176.9 | -151 | 0 | 0 | 108 | L56 D57 Y71 | E37-L56 HydrophobicContact CB-CD1 4.27Å; E37-D57 CarbonylContact C-O 3.58Å; E37-D57 VanDerWaalsContact CA-O 3.25Å; E37-D57 WeakPolarHBondContact CA-O 3.22Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.41Å; E37-Y71 PolarHBondContact OE2-OH 3.43Å |
| 38 | D | 96.7 | Very high | 92.9 | Very high | 69 Ų | 69 | 92.5 Ų | 92.5 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.9 | 171.5 | -77 | -57.1 | 0 | 0 | 0 | 109.3 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.41Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.4Å; D38-Y40 HydrophobicContact CB-CD2 4.32Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; D38-D57 HydrophobicContact CB-CB 4.4Å; D38-D57 PolarHBondContact N-O 3.49Å; D38-D57 PolarHBondContact O-N 3.27Å |
| 39 | F | 97.6 | Very high | 93 | Very high | 119 Ų | 119 | 95 Ų | 95 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.8 | 179.6 | -177.7 | -94.3 | 0 | 0 | 0 | 110.8 | R41 E54 | F39-R41 HydrophobicContact CE1-CB 4.23Å; F39-E54 HydrophobicContact CE2-CB 3.74Å; F39-E54 HydrophobicContact CE2-CG 4.19Å; F39-E54 HydrophobicContact CZ-CB 3.71Å; F39-E54 HydrophobicContact CZ-CG 3.66Å |
| 40 | Y | 98.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 93.2 Ų | 93.2 | 21% | 0.212 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.4 | 176 | -57.5 | -92.8 | 0 | 0 | 0 | 110.4 | T20 V24 D38 E54 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.4Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.4Å; T20-Y40 HydrophobicContact CG2-CE2 3.69Å; T20-Y40 HydrophobicContact CG2-CG 4Å; V24-Y40 HydrophobicContact CB-CD1 4.31Å; V24-Y40 HydrophobicContact CG1-CD1 4.04Å; V24-Y40 HydrophobicContact CG2-CD1 4.13Å; V24-Y40 HydrophobicContact CG2-CG 4.08Å; D38-Y40 HydrophobicContact CB-CD2 4.32Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; Y40-E54 CarbonylContact O-C 3.55Å; Y40-E54 WeakPolarHBondContact O-CA 3.34Å; Y40-I55 PolarHBondContact N-O 3.46Å; Y40-I55 PolarHBondContact O-N 2.99Å; Y40-D57 HydrophobicContact CE2-CB 4.31Å |
| 41 | R | 98.1 | Very high | 93.9 | Very high | 139 Ų | 139 | 85.4 Ų | 85.4 | 53% | 0.525 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 127.1 | 175.1 | -168.9 | 168.9 | 178.8 | -107.3 | 0.2 | 108.6 | E3 F39 V52 L53 E54 | E3-R41 IonicContact OE1-CZ 3.45Å; E3-R41 IonicContact OE1-NH2 3.57Å; E3-R41 PolarHBondContact OE1-NH2 3.3Å; F39-R41 HydrophobicContact CE1-CB 4.23Å; R41-V52 HydrophobicContact CG-CG1 3.54Å; R41-L53 WeakPolarHBondContact CA-O 2.94Å; R41-E54 HydrophobicContact CG-CG 4.22Å; R41-E54 IonicContact NE-OE1 3.1Å |
| 42 | K | 98 | Very high | 94.4 | Very high | 50 Ų | 50 | 77.6 Ų | 77.6 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.8 | -179.3 | 179.3 | 161.8 | 175.1 | -177.8 | 0 | 111 | F23 L53 | F23-K42 HydrophobicContact CD1-CD 4.22Å; F23-K42 HydrophobicContact CE1-CB 4.21Å; F23-K42 HydrophobicContact CE1-CD 3.71Å; F23-K42 HydrophobicContact CE1-CG 4.24Å; F23-K42 HydrophobicContact CE2-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.83Å; F23-K42 HydrophobicContact CZ-CG 4.34Å; F23-K42 PolarHBondContact O-NZ 2.87Å; K42-L53 PolarHBondContact N-O 3.02Å; K42-L53 PolarHBondContact O-N 3.33Å |
| 43 | E | 98 | Very high | 95.4 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132.2 | 166.7 | -65.5 | -172.9 | 175.7 | 0 | 0 | 109.4 | V52 | E43-V52 HydrophobicContact CG-CG2 4.42Å |
| 44 | I | 97.7 | Very high | 96 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.8 | -179 | -176.3 | 177.2 | 0 | 0 | 0 | 109.2 | F23 V46 S51 L53 A158 | F23-I44 HydrophobicContact CE2-CD1 4.33Å; F23-I44 HydrophobicContact CZ-CD1 4.03Å; I44-V46 HydrophobicContact CD1-CG2 3.69Å; I44-V46 HydrophobicContact CG1-CG2 3.85Å; I44-S51 PolarHBondContact N-O 2.85Å; I44-S51 PolarHBondContact O-N 3.17Å; I44-L53 HydrophobicContact CG2-CB 3.99Å; I44-A158 HydrophobicContact CD1-CB 4.46Å |
| 45 | E | 97.4 | Very high | 96.5 | Very high | 137 Ų | 137 | 63 Ų | 63 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.3 | 168.6 | -168.9 | -179.7 | 133.9 | 0 | 0 | 109.5 | G48 | E45-G48 WeakPolarHBondContact OE1-CA 3.38Å |
| 46 | V | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.1 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | I44 G48 Q49 A158 V161 R162 | I44-V46 HydrophobicContact CD1-CG2 3.69Å; I44-V46 HydrophobicContact CG1-CG2 3.85Å; V46-G48 VanDerWaalsContact C-N 3.29Å; V46-G48 PolarHBondContact O-N 2.8Å; V46-Q49 PolarHBondContact N-O 2.71Å; V46-Q49 VanDerWaalsContact N-O 3.16Å; V46-Q49 WeakPolarHBondContact O-CB 3.43Å; V46-Q49 PolarHBondContact O-N 2.86Å; V46-A158 HydrophobicContact CG2-CB 4.21Å; V46-V161 HydrophobicContact CB-CG1 3.99Å; V46-V161 HydrophobicContact CG1-CG1 4.23Å; V46-V161 HydrophobicContact CG2-CB 3.99Å; V46-V161 HydrophobicContact CG2-CG1 3.79Å; V46-R162 HydrophobicContact CG1-CG 3.51Å |
| 47 | D | 95.5 | Very high | 97.3 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 43.1 | -179.3 | -50.8 | -29.8 | 0 | 0 | 0 | 113.2 | Q49 R162 | D47-Q49 PolarHBondContact O-N 2.83Å; D47-R162 IonicContact OD1-CZ 3.59Å; D47-R162 VanDerWaalsContact OD1-CZ 3.26Å; D47-R162 IonicContact OD1-NE 3.99Å; D47-R162 PolarHBondContact OD1-NE 3.11Å; D47-R162 IonicContact OD1-NH2 2.74Å; D47-R162 PolarHBondContact OD1-NH2 3.5Å; D47-R162 WeakPolarHBondContact OD2-CG 3.38Å; D47-R162 IonicContact OD2-NE 2.71Å; D47-R162 PolarHBondContact OD2-NE 3.48Å; D47-R162 VanDerWaalsContact OD2-NE 3.1Å |
| 48 | G | 95.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 5.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E45 V46 | E45-G48 WeakPolarHBondContact OE1-CA 3.38Å; V46-G48 VanDerWaalsContact C-N 3.29Å; V46-G48 PolarHBondContact O-N 2.8Å |
| 49 | Q | 95.5 | Very high | 97.3 | Very high | 121 Ų | 121 | 52 Ų | 52 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 108.8 | -177.8 | -62 | -62.7 | -51.9 | 0 | 0 | 110.6 | V46 D47 S51 | V46-Q49 PolarHBondContact N-O 2.71Å; V46-Q49 VanDerWaalsContact N-O 3.16Å; V46-Q49 WeakPolarHBondContact O-CB 3.43Å; V46-Q49 PolarHBondContact O-N 2.86Å; D47-Q49 PolarHBondContact O-N 2.83Å; Q49-S51 PolarHBondContact O-N 3.1Å; Q49-S51 PolarHBondContact O-OG 2.89Å |
| 50 | P | 96.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133.8 | 176.3 | 28.4 | -34.2 | 0 | 0 | 0 | 110.2 | M1 | M1-P50 HydrophobicContact CE-CB 3.88Å; M1-P50 HydrophobicContact CG-CB 4.47Å; M1-P50 WeakPolarHBondContact CG-O 3.46Å; M1-P50 HydrophobicContact SD-CB 4.16Å |
| 51 | S | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.9 | -174.1 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | M1 R2 I44 Q49 | M1-S51 PolarHBondContact SD-N 2.76Å; R2-S51 CarbonylContact O-C 3.56Å; R2-S51 WeakPolarHBondContact O-CA 3.26Å; I44-S51 PolarHBondContact N-O 2.85Å; I44-S51 PolarHBondContact O-N 3.17Å; Q49-S51 PolarHBondContact O-N 3.1Å; Q49-S51 PolarHBondContact O-OG 2.89Å |
| 52 | V | 98.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.4 | 169.5 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | M1 R2 E3 F4 R41 E43 | M1-V52 HydrophobicContact CG-CG2 4.32Å; M1-V52 HydrophobicContact SD-CG2 3.68Å; R2-V52 PolarHBondContact O-N 2.94Å; E3-V52 CarbonylContact C-O 3.52Å; E3-V52 WeakPolarHBondContact CA-O 3.42Å; E3-V52 HydrophobicContact CG-CB 4.16Å; F4-V52 PolarHBondContact N-O 2.84Å; R41-V52 HydrophobicContact CG-CG1 3.54Å; E43-V52 HydrophobicContact CG-CG2 4.42Å |
| 53 | L | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.3 | 175.1 | -172.7 | 61.3 | 0 | 0 | 0 | 110 | F4 V6 F23 R41 K42 I44 I55 F157 V161 M164 | F4-L53 HydrophobicContact CB-CD1 3.75Å; V6-L53 HydrophobicContact CB-CD1 4.12Å; V6-L53 HydrophobicContact CG1-CD1 3.66Å; V6-L53 HydrophobicContact CG1-CD2 4.26Å; V6-L53 HydrophobicContact CG1-CG 4.01Å; F23-L53 HydrophobicContact CE1-CD2 4.27Å; R41-L53 WeakPolarHBondContact CA-O 2.94Å; K42-L53 PolarHBondContact N-O 3.02Å; K42-L53 PolarHBondContact O-N 3.33Å; I44-L53 HydrophobicContact CG2-CB 3.99Å; L53-I55 HydrophobicContact CD2-CD1 4.2Å; L53-I55 HydrophobicContact CD2-CG1 4.05Å; L53-I55 HydrophobicContact CG-CD1 4.45Å; L53-I55 HydrophobicContact CG-CG1 3.87Å; L53-F157 HydrophobicContact CD2-CB 3.95Å; L53-F157 HydrophobicContact CD2-CD1 3.85Å; L53-F157 HydrophobicContact CD2-CG 4.33Å; L53-V161 HydrophobicContact CD1-CG2 3.89Å; L53-V161 HydrophobicContact CD2-CG2 4.19Å; L53-M164 HydrophobicContact CD1-CE 4.21Å |
| 54 | E | 98.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.1 | 167 | -62.4 | -171.1 | 160.5 | 0 | 0 | 108.7 | F4 K5 V6 F39 Y40 R41 | F4-E54 PolarHBondContact O-N 3.4Å; K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CD-OE2 3.38Å; K5-E54 WeakPolarHBondContact CE-OE2 3.48Å; K5-E54 HydrophobicContact CG-CB 4.33Å; K5-E54 WeakPolarHBondContact CG-OE2 3.42Å; K5-E54 IonicContact NZ-OE1 2.83Å; K5-E54 IonicContact NZ-OE2 3.89Å; K5-E54 PolarHBondContact NZ-OE2 3.23Å; V6-E54 WeakPolarHBondContact CG1-O 3.35Å; V6-E54 PolarHBondContact N-O 3.39Å; F39-E54 HydrophobicContact CE2-CB 3.74Å; F39-E54 HydrophobicContact CE2-CG 4.19Å; F39-E54 HydrophobicContact CZ-CB 3.71Å; F39-E54 HydrophobicContact CZ-CG 3.66Å; Y40-E54 CarbonylContact O-C 3.55Å; Y40-E54 WeakPolarHBondContact O-CA 3.34Å; R41-E54 HydrophobicContact CG-CG 4.22Å; R41-E54 IonicContact NE-OE1 3.1Å |
| 55 | I | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.5 | -178.2 | -52.8 | 167.6 | 0 | 0 | 0 | 107.9 | V6 V8 T20 F23 V24 Y40 L53 F157 | V6-I55 HydrophobicContact CG1-CB 4.08Å; V6-I55 HydrophobicContact CG1-CG1 3.71Å; V6-I55 HydrophobicContact CG1-CG2 4.1Å; V8-I55 HydrophobicContact CG2-CG2 3.67Å; T20-I55 HydrophobicContact CG2-CB 4.37Å; T20-I55 HydrophobicContact CG2-CD1 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.75Å; F23-I55 HydrophobicContact CD1-CD1 3.53Å; F23-I55 HydrophobicContact CE1-CD1 3.67Å; V24-I55 HydrophobicContact CG2-CD1 4.13Å; Y40-I55 PolarHBondContact N-O 3.46Å; Y40-I55 PolarHBondContact O-N 2.99Å; L53-I55 HydrophobicContact CD2-CD1 4.2Å; L53-I55 HydrophobicContact CD2-CG1 4.05Å; L53-I55 HydrophobicContact CG-CD1 4.45Å; L53-I55 HydrophobicContact CG-CG1 3.87Å; I55-F157 HydrophobicContact CD1-CD1 3.81Å; I55-F157 HydrophobicContact CD1-CE1 3.59Å; I55-F157 HydrophobicContact CD1-CZ 4.23Å; I55-F157 HydrophobicContact CG1-CD1 4.32Å; I55-F157 HydrophobicContact CG1-CE1 4.11Å; I55-F157 HydrophobicContact CG2-CE1 4.08Å |
| 56 | L | 98.5 | Very high | 93.1 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105 | 166.7 | -178.9 | 62.3 | 0 | 0 | 0 | 108.6 | V6 V7 V8 E37 T58 Y71 | V6-L56 PolarHBondContact O-N 2.97Å; V7-L56 WeakPolarHBondContact CA-O 3.4Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.26Å; V7-L56 HydrophobicContact CG1-CG 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V7-L56 HydrophobicContact CG2-CD2 4.26Å; V8-L56 PolarHBondContact N-O 3.09Å; E37-L56 HydrophobicContact CB-CD1 4.27Å; L56-T58 HydrophobicContact CD2-CG2 4.49Å; L56-T58 HydrophobicContact CG-CG2 4.11Å; L56-Y71 HydrophobicContact CD2-CD1 3.63Å; L56-Y71 HydrophobicContact CD2-CE1 4.39Å; L56-Y71 HydrophobicContact CD2-CG 3.83Å |
| 57 | D | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.9 | 168.1 | -176 | 34.5 | 0 | 0 | 0 | 109.2 | K16 S17 T20 E37 D38 Y40 | K16-D57 WeakPolarHBondContact CB-OD1 3.16Å; S17-D57 WeakPolarHBondContact CA-OD2 3.47Å; S17-D57 WeakPolarHBondContact CB-OD2 3.29Å; S17-D57 PolarHBondContact OG-OD2 2.85Å; T20-D57 HydrophobicContact CG2-CB 4.38Å; E37-D57 CarbonylContact C-O 3.58Å; E37-D57 VanDerWaalsContact CA-O 3.25Å; E37-D57 WeakPolarHBondContact CA-O 3.22Å; D38-D57 HydrophobicContact CB-CB 4.4Å; D38-D57 PolarHBondContact N-O 3.49Å; D38-D57 PolarHBondContact O-N 3.27Å; Y40-D57 HydrophobicContact CE2-CB 4.31Å |
| 58 | T | 96.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158.9 | -171.1 | 78.9 | 0 | 0 | 0 | 0 | 112.4 | V7 V8 L9 K16 L56 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.67Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.11Å; L9-T58 HydrophobicContact CD2-CG2 4.16Å; K16-T58 WeakPolarHBondContact CE-O 3.47Å; K16-T58 PolarHBondContact NZ-O 3.21Å; L56-T58 HydrophobicContact CD2-CG2 4.49Å; L56-T58 HydrophobicContact CG-CG2 4.11Å; T58-Y71 HydrophobicContact CG2-CD2 3.76Å; T58-Y71 HydrophobicContact CG2-CE2 4.2Å; T58-Y71 HydrophobicContact CG2-CG 4.3Å |
| 59 | A | 93.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | trans | -53.1 | 142 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T35 I36 F64 | T35-A59 WeakPolarHBondContact O-CA 3.35Å; T35-A59 WeakPolarHBondContact O-CB 3.18Å; I36-A59 WeakPolarHBondContact O-CB 3.38Å; I36-A59 PolarHBondContact O-N 3.17Å; A59-F64 HydrophobicContact CB-CB 3.72Å; A59-F64 HydrophobicContact CB-CD2 3.42Å; A59-F64 VanDerWaalsContact CB-CD2 3.42Å; A59-F64 HydrophobicContact CB-CE2 4.32Å; A59-F64 HydrophobicContact CB-CG 3.87Å | ||
| 60 | G | 86.6 | Confident | 92.7 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -99 | 5.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G10 S11 G12 | G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.37Å; S11-G60 CarbonylContact C-O 3.56Å; G12-G60 PolarHBondContact N-O 2.94Å | ||
| 61 | T | 86.7 | Confident | 92.6 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -106.7 | 154.2 | -171.3 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | Q63 F64 | T61-Q63 PolarHBondContact O-N 2.88Å; T61-Q63 PolarHBondContact OG1-OE1 3.45Å; T61-F64 PolarHBondContact O-N 3.13Å |
| 62 | E | 83.4 | Confident | 92.6 | Very high | 134 Ų | 134 | 41.1 Ų | 41.1 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -70.8 | -19.7 | -175.5 | -67.4 | -58.1 | 110.4 | 0 | 0 | 113.4 | F64 A65 R68 | E62-F64 PolarHBondContact O-N 3.49Å; E62-F64 VanDerWaalsContact O-N 3.12Å; E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.37Å; E62-A65 PolarHBondContact O-N 2.87Å; E62-R68 IonicContact OE1-CZ 2.76Å; E62-R68 IonicContact OE1-NH1 3.67Å; E62-R68 IonicContact OE1-NH2 3.97Å; E62-R68 PolarHBondContact OE1-NH2 2.84Å |
| 63 | Q | 86.3 | Confident | 92.6 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -58.2 | -27.1 | 175.6 | -64.5 | 82.7 | 5.9 | 0 | 0 | 112.7 | T61 | T61-Q63 PolarHBondContact O-N 2.88Å; T61-Q63 PolarHBondContact OG1-OE1 3.45Å |
| 64 | F | 85.4 | Confident | 92.4 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -108.7 | 12.6 | -179.6 | -58.5 | -67.8 | 0 | 0 | 0 | 112.9 | I36 A59 T61 E62 S66 M67 | I36-F64 HydrophobicContact CB-CE1 4.47Å; I36-F64 HydrophobicContact CB-CZ 4.26Å; I36-F64 HydrophobicContact CD1-CE1 4.22Å; I36-F64 HydrophobicContact CD1-CZ 3.84Å; I36-F64 HydrophobicContact CG1-CE1 4.15Å; I36-F64 HydrophobicContact CG1-CE2 4.01Å; I36-F64 HydrophobicContact CG1-CZ 3.57Å; I36-F64 HydrophobicContact CG2-CD1 4.04Å; I36-F64 HydrophobicContact CG2-CE1 3.74Å; I36-F64 HydrophobicContact CG2-CZ 4.02Å; A59-F64 HydrophobicContact CB-CB 3.72Å; A59-F64 HydrophobicContact CB-CD2 3.42Å; A59-F64 VanDerWaalsContact CB-CD2 3.42Å; A59-F64 HydrophobicContact CB-CE2 4.32Å; A59-F64 HydrophobicContact CB-CG 3.87Å; T61-F64 PolarHBondContact O-N 3.13Å; E62-F64 PolarHBondContact O-N 3.49Å; E62-F64 VanDerWaalsContact O-N 3.12Å; F64-S66 PolarHBondContact O-N 3.42Å; F64-M67 HydrophobicContact CB-CE 3.76Å; F64-M67 HydrophobicContact CD1-CE 3.31Å; F64-M67 HydrophobicContact CE1-CE 4.22Å; F64-M67 HydrophobicContact CG-CE 3.89Å; F64-M67 PolarHBondContact O-N 2.95Å; F64-M67 VanDerWaalsContact O-N 3.14Å |
| 65 | A | 82.3 | Confident | 92.4 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -29.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E62 M67 R68 | E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.37Å; E62-A65 PolarHBondContact O-N 2.87Å; A65-M67 PolarHBondContact O-N 2.79Å; A65-R68 WeakPolarHBondContact O-CB 3.49Å; A65-R68 PolarHBondContact O-N 2.8Å; A65-R68 VanDerWaalsContact O-N 3.13Å |
| 66 | S | 86.1 | Confident | 92.4 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 74% | 0.741 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.4 | -26.2 | 177.2 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | F64 | F64-S66 PolarHBondContact O-N 3.42Å |
| 67 | M | 90.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -86.4 | -15.8 | 176.2 | -62.7 | -173 | -63 | 0 | 0 | 112.7 | I36 F64 A65 D69 L70 Y71 | I36-M67 HydrophobicContact CG2-CE 4.16Å; F64-M67 HydrophobicContact CB-CE 3.76Å; F64-M67 HydrophobicContact CD1-CE 3.31Å; F64-M67 HydrophobicContact CE1-CE 4.22Å; F64-M67 HydrophobicContact CG-CE 3.89Å; F64-M67 PolarHBondContact O-N 2.95Å; F64-M67 VanDerWaalsContact O-N 3.14Å; A65-M67 PolarHBondContact O-N 2.79Å; M67-D69 VanDerWaalsContact C-N 3.28Å; M67-D69 PolarHBondContact O-N 2.77Å; M67-L70 WeakPolarHBondContact O-CB 3.38Å; M67-L70 PolarHBondContact O-N 3.28Å; M67-Y71 HydrophobicContact CB-CE1 4.18Å; M67-Y71 HydrophobicContact CB-CE2 3.81Å; M67-Y71 WeakPolarHBondContact CB-OH 3.35Å; M67-Y71 VanDerWaalsContact CE-OH 3.29Å; M67-Y71 WeakPolarHBondContact CE-OH 3.37Å; M67-Y71 PolarHBondContact O-N 3.28Å |
| 68 | R | 93.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 10% | 0.102 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -38.5 | -174.8 | -162.9 | -175.3 | -68.3 | 154 | -0.7 | 112.5 | L9 E62 A65 L70 Y71 I72 L96 Q99 | L9-R68 HydrophobicContact CD2-CG 4.14Å; E62-R68 IonicContact OE1-CZ 2.76Å; E62-R68 IonicContact OE1-NH1 3.67Å; E62-R68 IonicContact OE1-NH2 3.97Å; E62-R68 PolarHBondContact OE1-NH2 2.84Å; A65-R68 WeakPolarHBondContact O-CB 3.49Å; A65-R68 PolarHBondContact O-N 2.8Å; A65-R68 VanDerWaalsContact O-N 3.13Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.66Å; R68-Y71 PolarHBondContact O-N 3.13Å; R68-I72 HydrophobicContact CG-CD1 3.92Å; R68-I72 HydrophobicContact CG-CG1 4.47Å; R68-I72 WeakPolarHBondContact O-CB 3.43Å; R68-I72 VanDerWaalsContact O-CG1 3.25Å; R68-I72 WeakPolarHBondContact O-CG1 3.42Å; R68-I72 PolarHBondContact O-N 2.98Å; R68-L96 VanDerWaalsContact NH1-CD2 3.3Å; R68-Q99 VanDerWaalsContact CD-OE1 3.28Å; R68-Q99 VanDerWaalsContact NH1-OE1 3.12Å |
| 69 | D | 95.3 | Very high | 92.6 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 177.4 | -78.6 | 10.7 | 0 | 0 | 0 | 111.9 | M67 K73 Q99 V103 | M67-D69 VanDerWaalsContact C-N 3.28Å; M67-D69 PolarHBondContact O-N 2.77Å; D69-K73 WeakPolarHBondContact O-CB 3.3Å; D69-K73 PolarHBondContact O-N 3.19Å; D69-Q99 PolarHBondContact OD1-NE2 3.46Å; D69-V103 HydrophobicContact CB-CG2 4.15Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.1Å |
| 70 | L | 95.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 176.1 | -177.7 | 63.2 | 0 | 0 | 0 | 111.3 | M67 R68 I72 K73 N74 | M67-L70 WeakPolarHBondContact O-CB 3.38Å; M67-L70 PolarHBondContact O-N 3.28Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.66Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.03Å; L70-K73 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-N 3.47Å; L70-N74 VanDerWaalsContact O-N 3.13Å; L70-N74 PolarHBondContact O-ND2 2.92Å |
| 71 | Y | 96.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 175.9 | -52 | -30.9 | 0 | 0 | 0 | 110.9 | E37 L56 T58 M67 R68 K73 N74 G75 | E37-Y71 WeakPolarHBondContact OE2-CE1 3.41Å; E37-Y71 PolarHBondContact OE2-OH 3.43Å; L56-Y71 HydrophobicContact CD2-CD1 3.63Å; L56-Y71 HydrophobicContact CD2-CE1 4.39Å; L56-Y71 HydrophobicContact CD2-CG 3.83Å; T58-Y71 HydrophobicContact CG2-CD2 3.76Å; T58-Y71 HydrophobicContact CG2-CE2 4.2Å; T58-Y71 HydrophobicContact CG2-CG 4.3Å; M67-Y71 HydrophobicContact CB-CE1 4.18Å; M67-Y71 HydrophobicContact CB-CE2 3.81Å; M67-Y71 WeakPolarHBondContact CB-OH 3.35Å; M67-Y71 VanDerWaalsContact CE-OH 3.29Å; M67-Y71 WeakPolarHBondContact CE-OH 3.37Å; M67-Y71 PolarHBondContact O-N 3.28Å; R68-Y71 PolarHBondContact O-N 3.13Å; Y71-K73 PolarHBondContact O-N 2.65Å; Y71-N74 PolarHBondContact O-N 3.33Å; Y71-G75 PolarHBondContact O-N 2.97Å |
| 72 | I | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 178.9 | -67.2 | 167 | 0 | 0 | 0 | 110.7 | L9 R68 L70 N74 G75 F78 Q99 I100 V103 K104 | L9-I72 HydrophobicContact CD1-CD1 4.45Å; L9-I72 HydrophobicContact CD1-CG1 4.05Å; R68-I72 HydrophobicContact CG-CD1 3.92Å; R68-I72 HydrophobicContact CG-CG1 4.47Å; R68-I72 WeakPolarHBondContact O-CB 3.43Å; R68-I72 VanDerWaalsContact O-CG1 3.25Å; R68-I72 WeakPolarHBondContact O-CG1 3.42Å; R68-I72 PolarHBondContact O-N 2.98Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.03Å; I72-N74 PolarHBondContact O-N 3.47Å; I72-G75 PolarHBondContact O-N 2.86Å; I72-F78 HydrophobicContact CB-CE1 4.32Å; I72-F78 HydrophobicContact CG1-CE1 4.27Å; I72-F78 HydrophobicContact CG2-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CZ 4.05Å; I72-F78 WeakPolarHBondContact O-CZ 3.48Å; I72-Q99 HydrophobicContact CD1-CG 3.92Å; I72-I100 HydrophobicContact CD1-CG1 3.87Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.39Å; I72-I100 HydrophobicContact CG2-CG1 4.41Å; I72-I100 HydrophobicContact CG2-CG2 4.28Å; I72-V103 HydrophobicContact CB-CB 4.32Å; I72-V103 HydrophobicContact CB-CG1 3.99Å; I72-V103 HydrophobicContact CG2-CB 3.66Å; I72-V103 HydrophobicContact CG2-CG1 3.62Å; I72-V103 HydrophobicContact CG2-CG2 4.43Å; I72-K104 HydrophobicContact CG2-CG 4.18Å; I72-K104 WeakPolarHBondContact O-CE 3.49Å; I72-K104 PolarHBondContact O-NZ 2.95Å |
| 73 | K | 97.2 | Very high | 94.7 | Very high | 145 Ų | 145 | 44.6 Ų | 44.6 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -56.6 | -40.9 | 179.4 | -172.8 | 174.9 | -178.6 | 178.9 | 0 | 111.6 | D69 L70 Y71 V103 K104 | D69-K73 WeakPolarHBondContact O-CB 3.3Å; D69-K73 PolarHBondContact O-N 3.19Å; L70-K73 PolarHBondContact O-N 2.86Å; Y71-K73 PolarHBondContact O-N 2.65Å; K73-V103 HydrophobicContact CB-CG1 4.2Å; K73-K104 PolarHBondContact O-NZ 2.89Å |
| 74 | N | 95.8 | Very high | 95.3 | Very high | 105 Ų | 105 | 37.6 Ų | 37.6 | 56% | 0.561 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -86.9 | -22.5 | -176.3 | -65.1 | -22.6 | 0 | 0 | 0 | 114.7 | L70 Y71 I72 | L70-N74 PolarHBondContact O-N 3.47Å; L70-N74 VanDerWaalsContact O-N 3.13Å; L70-N74 PolarHBondContact O-ND2 2.92Å; Y71-N74 PolarHBondContact O-N 3.33Å; I72-N74 PolarHBondContact O-N 3.47Å |
| 75 | G | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -68.3 | 142.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y71 I72 K104 | Y71-G75 PolarHBondContact O-N 2.97Å; I72-G75 PolarHBondContact O-N 2.86Å; G75-K104 VanDerWaalsContact O-CE 3.26Å; G75-K104 WeakPolarHBondContact O-CE 3.28Å; G75-K104 PolarHBondContact O-NZ 3.49Å | ||
| 76 | Q | 97.9 | Very high | 96.7 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -95.1 | -31.1 | 174.5 | -65.9 | 174.3 | -46.5 | 0 | 0 | 112.5 | K5 P110 M164 | K5-Q76 HydrophobicContact CB-CG 4.23Å; K5-Q76 WeakPolarHBondContact O-CA 3.4Å; K5-Q76 WeakPolarHBondContact O-CB 3.32Å; K5-Q76 PolarHBondContact O-N 3.17Å; Q76-P110 WeakPolarHBondContact O-CD 3.4Å; Q76-P110 WeakPolarHBondContact O-CG 3.45Å; Q76-M164 HydrophobicContact CB-SD 3.87Å |
| 77 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K5 V6 V7 P110 M164 | K5-G77 PolarHBondContact O-N 3.35Å; K5-G77 VanDerWaalsContact O-N 3.13Å; V6-G77 WeakPolarHBondContact CA-O 3.28Å; V7-G77 PolarHBondContact N-O 3.44Å; G77-P110 CarbonylContact C-O 3.59Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å; G77-M164 PolarHBondContact N-SD 3.12Å |
| 78 | F | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.7 | -172.1 | -59.1 | -77 | 0 | 0 | 0 | 111.1 | V7 L9 I72 V80 I100 K104 V109 P110 L111 L112 | V7-F78 HydrophobicContact CB-CD1 4.06Å; V7-F78 HydrophobicContact CB-CE1 4.16Å; V7-F78 HydrophobicContact CG2-CE1 4.16Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; L9-F78 HydrophobicContact CD1-CD1 3.92Å; I72-F78 HydrophobicContact CB-CE1 4.32Å; I72-F78 HydrophobicContact CG1-CE1 4.27Å; I72-F78 HydrophobicContact CG2-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CZ 4.05Å; I72-F78 WeakPolarHBondContact O-CZ 3.48Å; F78-V80 HydrophobicContact CB-CG2 4.38Å; F78-I100 HydrophobicContact CB-CD1 4.05Å; F78-I100 HydrophobicContact CD1-CD1 4.12Å; F78-I100 HydrophobicContact CD1-CG1 4.3Å; F78-I100 HydrophobicContact CD1-CG2 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CG2 4.38Å; F78-I100 HydrophobicContact CE2-CG2 3.69Å; F78-I100 HydrophobicContact CG-CD1 4.01Å; F78-I100 HydrophobicContact CG-CG1 4.45Å; F78-I100 HydrophobicContact CG-CG2 3.97Å; F78-I100 HydrophobicContact CZ-CG2 4.09Å; F78-K104 HydrophobicContact CE2-CG 4.46Å; F78-V109 HydrophobicContact CD2-CB 4.15Å; F78-V109 HydrophobicContact CD2-CG2 3.76Å; F78-V109 HydrophobicContact CE2-CB 4.17Å; F78-V109 HydrophobicContact CE2-CG1 4.47Å; F78-V109 HydrophobicContact CE2-CG2 4.18Å; F78-P110 PolarHBondContact N-O 3.18Å; F78-L111 CarbonylContact O-C 3.56Å; F78-L111 VanDerWaalsContact O-CA 3.3Å; F78-L111 WeakPolarHBondContact O-CA 3.46Å; F78-L112 PolarHBondContact O-N 3.09Å |
| 79 | V | 99 | Very high | 98 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.7 | 166.5 | 177 | 0 | 0 | 0 | 0 | 107 | V6 V7 V8 L9 V81 V114 V156 I160 | V6-V79 HydrophobicContact CG2-CB 4.49Å; V6-V79 HydrophobicContact CG2-CG2 3.7Å; V7-V79 PolarHBondContact O-N 3.18Å; V8-V79 WeakPolarHBondContact CA-O 3.5Å; V8-V79 HydrophobicContact CG1-CB 4.4Å; V8-V79 HydrophobicContact CG1-CG1 4.34Å; V8-V79 HydrophobicContact CG2-CB 4.4Å; L9-V79 PolarHBondContact N-O 3.06Å; V79-V81 HydrophobicContact CG1-CG2 3.78Å; V79-V114 HydrophobicContact CG1-CB 4.38Å; V79-V114 HydrophobicContact CG1-CG2 3.63Å; V79-V156 HydrophobicContact CG1-CG1 3.98Å; V79-V156 HydrophobicContact CG2-CG1 4.38Å; V79-I160 HydrophobicContact CG2-CB 3.97Å; V79-I160 HydrophobicContact CG2-CG1 3.96Å; V79-I160 HydrophobicContact CG2-CG2 4.02Å |
| 80 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.9 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | F78 I93 I100 L111 L112 V114 | F78-V80 HydrophobicContact CB-CG2 4.38Å; V80-I93 HydrophobicContact CG1-CB 3.59Å; V80-I93 HydrophobicContact CG1-CG2 3.54Å; V80-I100 HydrophobicContact CG2-CD1 3.85Å; V80-L111 HydrophobicContact CG2-CD1 3.88Å; V80-L111 HydrophobicContact CG2-CG 4.1Å; V80-L112 PolarHBondContact N-O 2.8Å; V80-V114 PolarHBondContact O-N 2.86Å |
| 81 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.4 | -168.8 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | V8 L9 G10 V14 K16 L19 V79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.8Å; L9-V81 PolarHBondContact O-N 2.62Å; G10-V81 WeakPolarHBondContact CA-O 3.36Å; V14-V81 HydrophobicContact CB-CG1 4.28Å; V14-V81 HydrophobicContact CG2-CB 3.97Å; V14-V81 HydrophobicContact CG2-CG1 3.87Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.32Å; L19-V81 HydrophobicContact CD2-CG2 4.43Å; V79-V81 HydrophobicContact CG1-CG2 3.78Å; V81-V114 WeakPolarHBondContact CA-O 3.31Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.27Å; V81-N116 HydrophobicContact CG1-CB 3.76Å |
| 82 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 165.5 | 162.7 | 72.1 | -84.1 | 0 | 0 | 0 | 110.3 | I84 F90 I93 L113 V114 G115 N116 V126 F142 | Y82-I84 HydrophobicContact CE2-CG2 4.07Å; Y82-F90 AromaticContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD2-CB 3.91Å; Y82-F90 AromaticContact CD2-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CG 4.34Å; Y82-F90 AromaticContact CE1-CD2 3.83Å; Y82-F90 HydrophobicContact CE1-CD2 3.83Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 HydrophobicContact CE2-CB 4.44Å; Y82-F90 AromaticContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CG 4.48Å; Y82-F90 HydrophobicContact CG-CB 4.21Å; Y82-F90 AromaticContact CG-CD2 3.9Å; Y82-F90 HydrophobicContact CG-CD2 3.9Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Y82-I93 HydrophobicContact CD1-CD1 3.83Å; Y82-I93 HydrophobicContact CG-CD1 4.33Å; Y82-L113 HydrophobicContact CD1-CD1 3.92Å; Y82-L113 HydrophobicContact CE1-CD1 4Å; Y82-L113 HydrophobicContact CE1-CG 4.22Å; Y82-V114 WeakPolarHBondContact CD1-O 3.46Å; Y82-V114 PolarHBondContact N-O 3.31Å; Y82-G115 VanDerWaalsContact CE1-CA 3.47Å; Y82-G115 VanDerWaalsContact CZ-CA 3.46Å; Y82-N116 PolarHBondContact O-N 3.13Å; Y82-V126 HydrophobicContact CD2-CG1 4.48Å; Y82-V126 HydrophobicContact CD2-CG2 4.24Å; Y82-V126 HydrophobicContact CE2-CB 3.86Å; Y82-V126 HydrophobicContact CE2-CG1 3.65Å; Y82-V126 HydrophobicContact CE2-CG2 4.07Å; Y82-F142 HydrophobicContact CE1-CE2 4.09Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.35Å |
| 83 | S | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.6 | 172.6 | -170.1 | 0 | 0 | 0 | 0 | 109 | T85 S86 T89 K117 | S83-T85 PolarHBondContact O-N 2.88Å; S83-T85 PolarHBondContact OG-OG1 3.37Å; S83-S86 PolarHBondContact O-N 2.8Å; S83-T89 PolarHBondContact N-OG1 2.92Å; S83-T89 PolarHBondContact O-OG1 2.84Å; S83-K117 VanDerWaalsContact OG-CD 3.3Å; S83-K117 WeakPolarHBondContact OG-CD 3.49Å; S83-K117 WeakPolarHBondContact OG-CE 3.4Å |
| 84 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.1 | 177.1 | 65.6 | 149.7 | 0 | 0 | 0 | 112.4 | Y82 S86 N116 K117 C118 R124 Q125 V126 | Y82-I84 HydrophobicContact CE2-CG2 4.07Å; I84-S86 VanDerWaalsContact C-N 3.32Å; I84-N116 WeakPolarHBondContact CG1-O 3.32Å; I84-N116 PolarHBondContact N-O 3.11Å; I84-K117 WeakPolarHBondContact CD1-O 3.19Å; I84-K117 WeakPolarHBondContact CG1-O 3.25Å; I84-C118 HydrophobicContact CD1-CB 4.45Å; I84-R124 HydrophobicContact CD1-CB 4.17Å; I84-R124 HydrophobicContact CD1-CG 4.2Å; I84-R124 VanDerWaalsContact CD1-CZ 3.41Å; I84-Q125 PolarHBondContact O-N 2.99Å; I84-V126 PolarHBondContact O-N 3.05Å |
| 85 | T | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 30 Ų | 30 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.3 | 179.2 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | S83 L120 Q123 Q125 | S83-T85 PolarHBondContact O-N 2.88Å; S83-T85 PolarHBondContact OG-OG1 3.37Å; T85-L120 HydrophobicContact CG2-CB 3.57Å; T85-L120 HydrophobicContact CG2-CD1 3.91Å; T85-L120 HydrophobicContact CG2-CG 4.38Å; T85-Q123 WeakPolarHBondContact CA-O 3.49Å; T85-Q123 HydrophobicContact CG2-CB 3.88Å; T85-Q125 PolarHBondContact O-NE2 3.41Å; T85-Q125 VanDerWaalsContact O-NE2 3.11Å; T85-Q125 PolarHBondContact O-OE1 2.81Å |
| 86 | S | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | trans | -145.1 | 106 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S83 I84 Q88 T89 F90 | S83-S86 PolarHBondContact O-N 2.8Å; I84-S86 VanDerWaalsContact C-N 3.32Å; S86-Q88 PolarHBondContact O-N 3.26Å; S86-T89 PolarHBondContact O-N 3.45Å; S86-T89 VanDerWaalsContact O-N 3.17Å; S86-T89 PolarHBondContact O-OG1 2.97Å; S86-F90 PolarHBondContact O-N 3.5Å | ||
| 87 | Q | 98.7 | Very high | 98.5 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 24% | 0.238 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -37.8 | 176.1 | -169.7 | 65.3 | 24.5 | 0 | 0 | 111.9 | T89 F90 H91 Q125 | Q87-T89 VanDerWaalsContact C-N 3.33Å; Q87-T89 PolarHBondContact O-N 3.47Å; Q87-F90 WeakPolarHBondContact O-CB 3.25Å; Q87-F90 PolarHBondContact O-N 3.36Å; Q87-F90 VanDerWaalsContact O-N 3.11Å; Q87-H91 PolarHBondContact NE2-NE2 3.01Å; Q87-H91 PolarHBondContact O-CD2 3.32Å; Q87-H91 PolarHBondContact O-N 3.49Å; Q87-H91 VanDerWaalsContact O-N 3.13Å; Q87-Q125 HydrophobicContact CB-CB 4.42Å; Q87-Q125 VanDerWaalsContact N-OE1 3.09Å; Q87-Q125 PolarHBondContact OE1-O 2.91Å |
| 88 | Q | 98.7 | Very high | 98.5 | Very high | 116 Ų | 116 | 33.5 Ų | 33.5 | 54% | 0.542 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 178.3 | -175.4 | 60.5 | 48.8 | 0 | 0 | 111.6 | S86 F90 H91 D92 | S86-Q88 PolarHBondContact O-N 3.26Å; Q88-F90 PolarHBondContact O-N 2.97Å; Q88-H91 WeakPolarHBondContact O-CA 3.48Å; Q88-H91 WeakPolarHBondContact O-CB 3.34Å; Q88-H91 PolarHBondContact O-N 3.45Å; Q88-D92 PolarHBondContact NE2-OD1 3.48Å; Q88-D92 PolarHBondContact O-N 2.91Å |
| 89 | T | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -28.1 | -179.3 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | V14 S83 S86 Q87 I93 | V14-T89 HydrophobicContact CG1-CG2 3.65Å; S83-T89 PolarHBondContact N-OG1 2.92Å; S83-T89 PolarHBondContact O-OG1 2.84Å; S86-T89 PolarHBondContact O-N 3.45Å; S86-T89 VanDerWaalsContact O-N 3.17Å; S86-T89 PolarHBondContact O-OG1 2.97Å; Q87-T89 VanDerWaalsContact C-N 3.33Å; Q87-T89 PolarHBondContact O-N 3.47Å; T89-I93 WeakPolarHBondContact O-CG2 3.33Å; T89-I93 PolarHBondContact O-N 2.93Å |
| 90 | F | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.9 | -25.9 | 173.2 | -178.6 | -109.6 | 0 | 0 | 0 | 113.2 | Y82 S86 Q87 Q88 I93 K94 V126 E130 L134 | Y82-F90 AromaticContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD1-CD2 3.89Å; Y82-F90 HydrophobicContact CD2-CB 3.91Å; Y82-F90 AromaticContact CD2-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CG 4.34Å; Y82-F90 AromaticContact CE1-CD2 3.83Å; Y82-F90 HydrophobicContact CE1-CD2 3.83Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 HydrophobicContact CE2-CB 4.44Å; Y82-F90 AromaticContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CG 4.48Å; Y82-F90 HydrophobicContact CG-CB 4.21Å; Y82-F90 AromaticContact CG-CD2 3.9Å; Y82-F90 HydrophobicContact CG-CD2 3.9Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; S86-F90 PolarHBondContact O-N 3.5Å; Q87-F90 WeakPolarHBondContact O-CB 3.25Å; Q87-F90 PolarHBondContact O-N 3.36Å; Q87-F90 VanDerWaalsContact O-N 3.11Å; Q88-F90 PolarHBondContact O-N 2.97Å; F90-I93 HydrophobicContact CD2-CD1 3.92Å; F90-I93 HydrophobicContact CE2-CD1 4.33Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; F90-K94 PolarHBondContact O-NZ 2.87Å; F90-V126 HydrophobicContact CB-CG1 4.28Å; F90-V126 HydrophobicContact CB-CG2 3.64Å; F90-V126 HydrophobicContact CD1-CG1 4.03Å; F90-V126 HydrophobicContact CD2-CG1 3.9Å; F90-V126 HydrophobicContact CE1-CG1 4.31Å; F90-V126 HydrophobicContact CE2-CG1 4.19Å; F90-V126 HydrophobicContact CG-CG1 3.81Å; F90-V126 HydrophobicContact CG-CG2 4.08Å; F90-V126 HydrophobicContact CZ-CG1 4.38Å; F90-E130 HydrophobicContact CE1-CB 4.25Å; F90-E130 HydrophobicContact CZ-CB 4.16Å; F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE2-CB 4.29Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 3.98Å; F90-L134 HydrophobicContact CZ-CD2 3.61Å; F90-L134 HydrophobicContact CZ-CG 4.41Å |
| 91 | H | 98.7 | Very high | 98.4 | Very high | 91 Ų | 91 | 35.7 Ų | 35.7 | 42% | 0.421 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -76.7 | -43.9 | 169.8 | -70.4 | -70.6 | 0 | 0 | 0 | 111.6 | Q87 Q88 I93 K94 | Q87-H91 PolarHBondContact NE2-NE2 3.01Å; Q87-H91 PolarHBondContact O-CD2 3.32Å; Q87-H91 PolarHBondContact O-N 3.49Å; Q87-H91 VanDerWaalsContact O-N 3.13Å; Q88-H91 WeakPolarHBondContact O-CA 3.48Å; Q88-H91 WeakPolarHBondContact O-CB 3.34Å; Q88-H91 PolarHBondContact O-N 3.45Å; H91-I93 VanDerWaalsContact C-N 3.28Å; H91-I93 PolarHBondContact O-N 3.47Å; H91-K94 WeakPolarHBondContact O-CB 3.31Å; H91-K94 PolarHBondContact O-N 3.27Å |
| 92 | D | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.8 | -38.4 | -177.8 | -62.9 | -18.1 | 0 | 0 | 0 | 113 | S11 Q88 K94 T95 L96 | S11-D92 VanDerWaalsContact OG-CB 3.23Å; S11-D92 WeakPolarHBondContact OG-CB 3.12Å; S11-D92 PolarHBondContact OG-OD2 3.18Å; Q88-D92 PolarHBondContact NE2-OD1 3.48Å; Q88-D92 PolarHBondContact O-N 2.91Å; D92-K94 PolarHBondContact O-N 3.44Å; D92-K94 VanDerWaalsContact O-N 3.13Å; D92-T95 PolarHBondContact O-N 2.99Å; D92-L96 PolarHBondContact O-N 3.1Å; D92-L96 VanDerWaalsContact O-N 3.15Å |
| 93 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -21.3 | 179.7 | 55.6 | 157.2 | 0 | 0 | 0 | 113.8 | V80 Y82 T89 F90 H91 L96 R97 L113 L134 W138 | V80-I93 HydrophobicContact CG1-CB 3.59Å; V80-I93 HydrophobicContact CG1-CG2 3.54Å; Y82-I93 HydrophobicContact CD1-CD1 3.83Å; Y82-I93 HydrophobicContact CG-CD1 4.33Å; T89-I93 WeakPolarHBondContact O-CG2 3.33Å; T89-I93 PolarHBondContact O-N 2.93Å; F90-I93 HydrophobicContact CD2-CD1 3.92Å; F90-I93 HydrophobicContact CE2-CD1 4.33Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; H91-I93 VanDerWaalsContact C-N 3.28Å; H91-I93 PolarHBondContact O-N 3.47Å; I93-L96 HydrophobicContact CG2-CD1 4.38Å; I93-L96 PolarHBondContact O-N 3.23Å; I93-R97 WeakPolarHBondContact O-CB 3.35Å; I93-R97 PolarHBondContact O-N 3.43Å; I93-L113 HydrophobicContact CD1-CD1 3.36Å; I93-L134 HydrophobicContact CD1-CD2 3.95Å; I93-W138 HydrophobicContact CD1-CH2 4.1Å; I93-W138 HydrophobicContact CD1-CZ3 4.5Å; I93-W138 HydrophobicContact CG1-CH2 4.37Å |
| 94 | K | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 177.2 | -57.6 | 178 | 177.1 | 77 | 0 | 110.3 | F90 H91 D92 L96 R97 D98 L134 W138 | F90-K94 PolarHBondContact O-NZ 2.87Å; H91-K94 WeakPolarHBondContact O-CB 3.31Å; H91-K94 PolarHBondContact O-N 3.27Å; D92-K94 PolarHBondContact O-N 3.44Å; D92-K94 VanDerWaalsContact O-N 3.13Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 3.32Å; K94-R97 PolarHBondContact O-N 3.48Å; K94-D98 PolarHBondContact O-N 2.95Å; K94-L134 HydrophobicContact CG-CD2 4.44Å; K94-W138 HydrophobicContact CB-CZ2 4.34Å; K94-W138 HydrophobicContact CG-CZ2 4.08Å |
| 95 | T | 96.7 | Very high | 98.1 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 63% | 0.632 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.7 | -39.5 | 172.6 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | D92 D98 Q99 | D92-T95 PolarHBondContact O-N 2.99Å; T95-D98 PolarHBondContact O-N 3.4Å; T95-Q99 PolarHBondContact O-N 3.37Å |
| 96 | L | 96.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.3 | -71.3 | 173.9 | 0 | 0 | 0 | 112.1 | R68 D92 I93 K94 D98 Q99 I100 | R68-L96 VanDerWaalsContact NH1-CD2 3.3Å; D92-L96 PolarHBondContact O-N 3.1Å; D92-L96 VanDerWaalsContact O-N 3.15Å; I93-L96 HydrophobicContact CG2-CD1 4.38Å; I93-L96 PolarHBondContact O-N 3.23Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 3.32Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.18Å; L96-Q99 WeakPolarHBondContact O-CB 3.32Å; L96-Q99 PolarHBondContact O-N 3.07Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 2.89Å |
| 97 | R | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176 | 175.3 | -88.5 | -174.8 | 178.1 | 0.2 | 111.2 | I93 K94 Q99 I100 L101 L111 W138 | I93-R97 WeakPolarHBondContact O-CB 3.35Å; I93-R97 PolarHBondContact O-N 3.43Å; K94-R97 PolarHBondContact O-N 3.48Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 3.28Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 2.87Å; R97-L101 PolarHBondContact O-N 3.25Å; R97-L101 VanDerWaalsContact O-N 3.09Å; R97-L111 HydrophobicContact CG-CD1 4.22Å; R97-W138 HydrophobicContact CB-CE3 4.5Å; R97-W138 HydrophobicContact CB-CH2 3.59Å; R97-W138 HydrophobicContact CB-CZ2 3.71Å; R97-W138 HydrophobicContact CB-CZ3 4.01Å; R97-W138 HydrophobicContact CG-CD2 3.96Å; R97-W138 HydrophobicContact CG-CE3 4.1Å; R97-W138 HydrophobicContact CG-CH2 4.02Å; R97-W138 HydrophobicContact CG-CZ2 3.88Å; R97-W138 HydrophobicContact CG-CZ3 4.12Å |
| 98 | D | 97.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 179.2 | -66.6 | -19.6 | 0 | 0 | 0 | 111.8 | K94 T95 L96 L101 R102 | K94-D98 PolarHBondContact O-N 2.95Å; T95-D98 PolarHBondContact O-N 3.4Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.18Å; D98-L101 PolarHBondContact O-N 3.38Å; D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 2.98Å |
| 99 | Q | 97 | Very high | 97.4 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 171.1 | -177.7 | 174 | 7.6 | 0 | 0 | 111.8 | R68 D69 I72 T95 L96 R97 L101 R102 V103 | R68-Q99 VanDerWaalsContact CD-OE1 3.28Å; R68-Q99 VanDerWaalsContact NH1-OE1 3.12Å; D69-Q99 PolarHBondContact OD1-NE2 3.46Å; I72-Q99 HydrophobicContact CD1-CG 3.92Å; T95-Q99 PolarHBondContact O-N 3.37Å; L96-Q99 WeakPolarHBondContact O-CB 3.32Å; L96-Q99 PolarHBondContact O-N 3.07Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.3Å; Q99-R102 PolarHBondContact O-N 2.91Å; Q99-V103 HydrophobicContact CG-CG2 4.35Å; Q99-V103 VanDerWaalsContact O-CG2 3.32Å; Q99-V103 WeakPolarHBondContact O-CG2 3.47Å; Q99-V103 PolarHBondContact O-N 3.01Å |
| 100 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 177.5 | -68.3 | 163.1 | 0 | 0 | 0 | 110.9 | L9 I72 F78 V80 L96 R97 R102 V103 K104 V109 L111 | L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 3.96Å; I72-I100 HydrophobicContact CD1-CG1 3.87Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.39Å; I72-I100 HydrophobicContact CG2-CG1 4.41Å; I72-I100 HydrophobicContact CG2-CG2 4.28Å; F78-I100 HydrophobicContact CB-CD1 4.05Å; F78-I100 HydrophobicContact CD1-CD1 4.12Å; F78-I100 HydrophobicContact CD1-CG1 4.3Å; F78-I100 HydrophobicContact CD1-CG2 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CG2 4.38Å; F78-I100 HydrophobicContact CE2-CG2 3.69Å; F78-I100 HydrophobicContact CG-CD1 4.01Å; F78-I100 HydrophobicContact CG-CG1 4.45Å; F78-I100 HydrophobicContact CG-CG2 3.97Å; F78-I100 HydrophobicContact CZ-CG2 4.09Å; V80-I100 HydrophobicContact CG2-CD1 3.85Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 2.89Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 2.87Å; I100-R102 PolarHBondContact O-N 2.87Å; I100-V103 PolarHBondContact O-N 2.97Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 WeakPolarHBondContact O-CG 3.44Å; I100-K104 PolarHBondContact O-N 3.38Å; I100-V109 HydrophobicContact CG2-CG1 4.42Å; I100-V109 HydrophobicContact CG2-CG2 3.74Å; I100-L111 HydrophobicContact CD1-CD1 4.45Å |
| 101 | L | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | -179.6 | -63.8 | -171.7 | 0 | 0 | 0 | 112 | R97 D98 Q99 K104 G105 V106 V109 | R97-L101 PolarHBondContact O-N 3.25Å; R97-L101 VanDerWaalsContact O-N 3.09Å; D98-L101 PolarHBondContact O-N 3.38Å; Q99-L101 PolarHBondContact O-N 3.3Å; L101-K104 PolarHBondContact O-N 3.22Å; L101-G105 PolarHBondContact O-N 3.25Å; L101-V106 PolarHBondContact O-N 3.35Å; L101-V109 HydrophobicContact CD2-CG1 4.1Å; L101-V109 HydrophobicContact CD2-CG2 4.05Å |
| 102 | R | 97.9 | Very high | 97.4 | Very high | 167 Ų | 167 | 50.5 Ų | 50.5 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.9 | -50.4 | 177.5 | -175.5 | -173.6 | 71 | -146.7 | 3 | 111.9 | D98 Q99 I100 K104 G105 | D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 2.98Å; Q99-R102 PolarHBondContact O-N 2.91Å; I100-R102 PolarHBondContact O-N 2.87Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 2.85Å; R102-G105 PolarHBondContact O-N 3.06Å |
| 103 | V | 97.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 48 Ų | 48 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67 | -34.1 | -179 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | D69 I72 K73 Q99 I100 | D69-V103 HydrophobicContact CB-CG2 4.15Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.1Å; I72-V103 HydrophobicContact CB-CB 4.32Å; I72-V103 HydrophobicContact CB-CG1 3.99Å; I72-V103 HydrophobicContact CG2-CB 3.66Å; I72-V103 HydrophobicContact CG2-CG1 3.62Å; I72-V103 HydrophobicContact CG2-CG2 4.43Å; K73-V103 HydrophobicContact CB-CG1 4.2Å; Q99-V103 HydrophobicContact CG-CG2 4.35Å; Q99-V103 VanDerWaalsContact O-CG2 3.32Å; Q99-V103 WeakPolarHBondContact O-CG2 3.47Å; Q99-V103 PolarHBondContact O-N 3.01Å; I100-V103 PolarHBondContact O-N 2.97Å |
| 104 | K | 97.1 | Very high | 97.5 | Very high | 62 Ų | 62 | 48 Ų | 48 | 27% | 0.27 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -78.8 | -18.8 | 176.8 | -71.6 | -61.6 | -161.1 | -170.6 | 0 | 114.2 | I72 K73 G75 F78 I100 L101 R102 V106 V109 | I72-K104 HydrophobicContact CG2-CG 4.18Å; I72-K104 WeakPolarHBondContact O-CE 3.49Å; I72-K104 PolarHBondContact O-NZ 2.95Å; K73-K104 PolarHBondContact O-NZ 2.89Å; G75-K104 VanDerWaalsContact O-CE 3.26Å; G75-K104 WeakPolarHBondContact O-CE 3.28Å; G75-K104 PolarHBondContact O-NZ 3.49Å; F78-K104 HydrophobicContact CE2-CG 4.46Å; I100-K104 WeakPolarHBondContact O-CB 3.38Å; I100-K104 WeakPolarHBondContact O-CG 3.44Å; I100-K104 PolarHBondContact O-N 3.38Å; L101-K104 PolarHBondContact O-N 3.22Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 2.85Å; K104-V106 VanDerWaalsContact C-N 3.28Å; K104-V106 HydrophobicContact CB-CG2 3.84Å; K104-V106 PolarHBondContact O-N 3.45Å; K104-V109 HydrophobicContact CB-CG1 3.94Å; K104-V109 HydrophobicContact CG-CG1 3.88Å |
| 105 | G | 96.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 68% | 0.68 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 32.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L101 R102 | L101-G105 PolarHBondContact O-N 3.25Å; R102-G105 PolarHBondContact O-N 3.06Å |
| 106 | V | 95.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -142.1 | 154.9 | 179.8 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | L101 K104 Q108 V109 | L101-V106 PolarHBondContact O-N 3.35Å; K104-V106 VanDerWaalsContact C-N 3.28Å; K104-V106 HydrophobicContact CB-CG2 3.84Å; K104-V106 PolarHBondContact O-N 3.45Å; V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 WeakPolarHBondContact CG2-O 3.46Å; V106-V109 HydrophobicContact CG2-CG1 3.6Å |
| 107 | D | 93.6 | Very high | 97.7 | Very high | 149 Ų | 149 | 42.7 Ų | 42.7 | 80% | 0.797 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -78.1 | -18.9 | 180 | -54.8 | -44.8 | 0 | 0 | 0 | 113.5 | ||
| 108 | Q | 95 | Very high | 97.7 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 22% | 0.217 | S | C | . | . | trans | -142.1 | 139.7 | 179.5 | -69.3 | -161.9 | -41.5 | 0 | 0 | 112.7 | V106 N139 M167 | V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 WeakPolarHBondContact CG2-O 3.46Å; Q108-N139 PolarHBondContact NE2-ND2 3.47Å; Q108-M167 HydrophobicContact CB-CE 4.33Å | ||
| 109 | V | 97.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | trans | -133.8 | 157.4 | 175 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | F78 I100 L101 K104 V106 L111 | F78-V109 HydrophobicContact CD2-CB 4.15Å; F78-V109 HydrophobicContact CD2-CG2 3.76Å; F78-V109 HydrophobicContact CE2-CB 4.17Å; F78-V109 HydrophobicContact CE2-CG1 4.47Å; F78-V109 HydrophobicContact CE2-CG2 4.18Å; I100-V109 HydrophobicContact CG2-CG1 4.42Å; I100-V109 HydrophobicContact CG2-CG2 3.74Å; L101-V109 HydrophobicContact CD2-CG1 4.1Å; L101-V109 HydrophobicContact CD2-CG2 4.05Å; K104-V109 HydrophobicContact CB-CG1 3.94Å; K104-V109 HydrophobicContact CG-CG1 3.88Å; V106-V109 HydrophobicContact CG2-CG1 3.6Å; V109-L111 HydrophobicContact CG2-CB 4.25Å; V109-L111 HydrophobicContact CG2-CD1 4.5Å; V109-L111 PolarHBondContact O-N 3.48Å | ||
| 110 | P | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 8% | 0.078 | 21% | 0.211 | C | C | . | . | trans | -60.5 | 113.1 | 168 | -20 | 32.5 | 0 | 0 | 0 | 109.9 | Q76 G77 F78 E163 M164 M167 | Q76-P110 WeakPolarHBondContact O-CD 3.4Å; Q76-P110 WeakPolarHBondContact O-CG 3.45Å; G77-P110 CarbonylContact C-O 3.59Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.44Å; F78-P110 PolarHBondContact N-O 3.18Å; P110-E163 HydrophobicContact CB-CG 4.04Å; P110-M164 HydrophobicContact CB-CB 4.23Å; P110-M164 HydrophobicContact CB-CG 3.48Å; P110-M164 VanDerWaalsContact CB-CG 3.48Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.9Å; P110-M167 HydrophobicContact CB-CG 4.49Å; P110-M167 HydrophobicContact CG-CB 3.91Å; P110-M167 HydrophobicContact CG-CG 4.07Å | ||
| 111 | L | 98.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.7 | -175 | -173.8 | 147.6 | 0 | 0 | 0 | 109.5 | F78 V80 R97 I100 V109 W138 C140 P141 | F78-L111 CarbonylContact O-C 3.56Å; F78-L111 VanDerWaalsContact O-CA 3.3Å; F78-L111 WeakPolarHBondContact O-CA 3.46Å; V80-L111 HydrophobicContact CG2-CD1 3.88Å; V80-L111 HydrophobicContact CG2-CG 4.1Å; R97-L111 HydrophobicContact CG-CD1 4.22Å; I100-L111 HydrophobicContact CD1-CD1 4.45Å; V109-L111 HydrophobicContact CG2-CB 4.25Å; V109-L111 HydrophobicContact CG2-CD1 4.5Å; V109-L111 PolarHBondContact O-N 3.48Å; L111-W138 HydrophobicContact CD2-CE3 3.95Å; L111-W138 HydrophobicContact CD2-CZ3 4.32Å; L111-C140 HydrophobicContact CB-CB 4.47Å; L111-C140 HydrophobicContact CD2-CB 3.94Å; L111-C140 VanDerWaalsContact CD2-SG 3.52Å; L111-C140 WeakPolarHBondContact O-CB 3.29Å; L111-P141 WeakPolarHBondContact O-CD 3.43Å |
| 112 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124 | 169.9 | 173.1 | 66.7 | 0 | 0 | 0 | 108.6 | F78 V80 V114 P141 V143 V156 E159 I160 | F78-L112 PolarHBondContact O-N 3.09Å; V80-L112 PolarHBondContact N-O 2.8Å; L112-V114 HydrophobicContact CD2-CG2 3.92Å; L112-V114 HydrophobicContact CG-CG2 3.82Å; L112-P141 HydrophobicContact CB-CG 4.45Å; L112-P141 HydrophobicContact CD1-CB 3.7Å; L112-P141 HydrophobicContact CD1-CG 3.69Å; L112-V143 HydrophobicContact CD1-CG2 4.09Å; L112-V156 HydrophobicContact CD2-CB 4.25Å; L112-V156 HydrophobicContact CD2-CG1 3.8Å; L112-V156 WeakPolarHBondContact CD2-O 3.43Å; L112-E159 HydrophobicContact CD1-CB 4.23Å; L112-E159 HydrophobicContact CD2-CB 4.02Å; L112-I160 HydrophobicContact CB-CB 4.32Å; L112-I160 HydrophobicContact CB-CD1 4.03Å; L112-I160 HydrophobicContact CD2-CB 4.37Å |
| 113 | L | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.4 | 172.1 | 178.8 | 61.5 | 0 | 0 | 0 | 109.6 | Y82 I93 G131 L134 A135 W138 P141 F142 V143 | Y82-L113 HydrophobicContact CD1-CD1 3.92Å; Y82-L113 HydrophobicContact CE1-CD1 4Å; Y82-L113 HydrophobicContact CE1-CG 4.22Å; I93-L113 HydrophobicContact CD1-CD1 3.36Å; L113-G131 WeakPolarHBondContact CD2-O 3.37Å; L113-L134 HydrophobicContact CD2-CB 4.12Å; L113-L134 HydrophobicContact CD2-CD2 4.04Å; L113-L134 HydrophobicContact CD2-CG 4.17Å; L113-A135 HydrophobicContact CB-CB 4.42Å; L113-A135 HydrophobicContact CD2-CB 4.04Å; L113-W138 HydrophobicContact CD1-CZ3 4.03Å; L113-P141 PolarHBondContact N-O 3.3Å; L113-P141 VanDerWaalsContact N-O 3.1Å; L113-F142 HydrophobicContact CB-CD2 4.16Å; L113-F142 HydrophobicContact CD2-CD2 3.95Å; L113-F142 HydrophobicContact CD2-CE2 4.41Å; L113-F142 HydrophobicContact CG-CD2 3.82Å; L113-F142 HydrophobicContact CG-CE2 4.3Å; L113-F142 WeakPolarHBondContact O-CA 3.36Å; L113-F142 WeakPolarHBondContact O-CD2 3.11Å; L113-V143 PolarHBondContact O-N 2.91Å |
| 114 | V | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.7 | -177.6 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L19 V79 V80 V81 Y82 L112 V143 C145 V156 | L19-V114 HydrophobicContact CD2-CG1 4.22Å; V79-V114 HydrophobicContact CG1-CB 4.38Å; V79-V114 HydrophobicContact CG1-CG2 3.63Å; V80-V114 PolarHBondContact O-N 2.86Å; V81-V114 WeakPolarHBondContact CA-O 3.31Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.27Å; Y82-V114 WeakPolarHBondContact CD1-O 3.46Å; Y82-V114 PolarHBondContact N-O 3.31Å; L112-V114 HydrophobicContact CD2-CG2 3.92Å; L112-V114 HydrophobicContact CG-CG2 3.82Å; V114-V143 VanDerWaalsContact CA-O 3.3Å; V114-V143 WeakPolarHBondContact CA-O 3.34Å; V114-C145 WeakPolarHBondContact CG1-SG 3.36Å; V114-V156 HydrophobicContact CG1-CG2 4.18Å; V114-V156 HydrophobicContact CG2-CG1 3.94Å; V114-V156 HydrophobicContact CG2-CG2 4.03Å |
| 115 | G | 99 | Very high | 98 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 100.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y82 V143 E144 C145 | Y82-G115 VanDerWaalsContact CE1-CA 3.47Å; Y82-G115 VanDerWaalsContact CZ-CA 3.46Å; G115-V143 PolarHBondContact N-O 3.15Å; G115-E144 CarbonylContact O-C 3.4Å; G115-E144 WeakPolarHBondContact O-CA 3.28Å; G115-C145 PolarHBondContact O-N 2.95Å |
| 116 | N | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 164.5 | -178.1 | -168.6 | 32.3 | 0 | 0 | 0 | 112.5 | V14 V81 Y82 I84 C145 A147 | V14-N116 PolarHBondContact O-ND2 2.92Å; V81-N116 HydrophobicContact CG1-CB 3.76Å; Y82-N116 PolarHBondContact O-N 3.13Å; I84-N116 WeakPolarHBondContact CG1-O 3.32Å; I84-N116 PolarHBondContact N-O 3.11Å; N116-C145 CarbonylContact C-O 3.54Å; N116-C145 WeakPolarHBondContact CA-O 2.87Å; N116-C145 PolarHBondContact OD1-O 3.24Å; N116-C145 PolarHBondContact OD1-SG 3.06Å; N116-A147 PolarHBondContact OD1-N 3.3Å |
| 117 | K | 98.7 | Very high | 98.2 | Very high | 57 Ų | 57 | 51 Ų | 51 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | trans | 71 | 35.9 | -179.1 | -45 | -170 | -165.9 | 173.3 | 0 | 113.9 | G13 S83 I84 D119 L120 C145 | G13-K117 VanDerWaalsContact O-CE 3.3Å; G13-K117 WeakPolarHBondContact O-CE 3.29Å; G13-K117 PolarHBondContact O-NZ 2.94Å; S83-K117 VanDerWaalsContact OG-CD 3.3Å; S83-K117 WeakPolarHBondContact OG-CD 3.49Å; S83-K117 WeakPolarHBondContact OG-CE 3.4Å; I84-K117 WeakPolarHBondContact CD1-O 3.19Å; I84-K117 WeakPolarHBondContact CG1-O 3.25Å; K117-D119 WeakPolarHBondContact CA-OD1 3.2Å; K117-D119 PolarHBondContact O-N 2.89Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 4.4Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 WeakPolarHBondContact O-CB 2.98Å; K117-L120 PolarHBondContact O-N 2.93Å; K117-C145 PolarHBondContact N-O 3.36Å | ||
| 118 | C | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 10% | 0.095 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -63.5 | -11.8 | 177.1 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | I84 L120 E144 C145 Q151 | I84-C118 HydrophobicContact CD1-CB 4.45Å; C118-L120 PolarHBondContact O-N 3.27Å; C118-E144 HydrophobicContact CB-CB 4.29Å; C118-C145 PolarHBondContact N-O 3.12Å; C118-C145 PolarHBondContact SG-O 2.97Å; C118-C145 VanDerWaalsContact SG-O 3.34Å; C118-Q151 PolarHBondContact SG-OE1 3.45Å; C118-Q151 VanDerWaalsContact SG-OE1 3.4Å |
| 119 | D | 98.6 | Very high | 98.7 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -67.9 | -19.9 | 168.7 | 60.2 | -69.6 | 0 | 0 | 0 | 113.3 | K117 E121 S146 K148 I149 | K117-D119 WeakPolarHBondContact CA-OD1 3.2Å; K117-D119 PolarHBondContact O-N 2.89Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.74Å; D119-S146 VanDerWaalsContact OD1-CB 3.26Å; D119-S146 WeakPolarHBondContact OD1-CB 3.23Å; D119-S146 PolarHBondContact OD1-OG 3.45Å; D119-K148 WeakPolarHBondContact OD2-CD 3.38Å; D119-I149 HydrophobicContact CB-CD1 4.09Å; D119-I149 HydrophobicContact CB-CG1 4.18Å; D119-I149 HydrophobicContact CB-CG2 4.37Å |
| 120 | L | 98.4 | Very high | 98.7 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -95.9 | 43.8 | -179.3 | -58.4 | -178.8 | 0 | 0 | 0 | 112.2 | T85 K117 C118 H122 Q123 R124 | T85-L120 HydrophobicContact CG2-CB 3.57Å; T85-L120 HydrophobicContact CG2-CD1 3.91Å; T85-L120 HydrophobicContact CG2-CG 4.38Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 4.4Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 WeakPolarHBondContact O-CB 2.98Å; K117-L120 PolarHBondContact O-N 2.93Å; C118-L120 PolarHBondContact O-N 3.27Å; L120-H122 VanDerWaalsContact C-N 3.26Å; L120-H122 PolarHBondContact O-N 3.33Å; L120-Q123 HydrophobicContact CB-CB 4.37Å; L120-Q123 CarbonylContact O-C 3.56Å; L120-Q123 WeakPolarHBondContact O-CA 3.21Å; L120-Q123 PolarHBondContact O-N 3.25Å; L120-R124 PolarHBondContact O-N 3.37Å |
| 121 | E | 98.4 | Very high | 98.7 | Very high | 106 Ų | 106 | 48 Ų | 48 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -54.5 | -39.8 | -175.3 | -170.1 | 59.3 | -147.4 | 0 | 0 | 113.1 | D119 Q123 R124 | D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.74Å; E121-Q123 PolarHBondContact O-N 2.55Å; E121-Q123 VanDerWaalsContact O-N 3.11Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 3.13Å; E121-R124 WeakPolarHBondContact OE1-CD 3.5Å; E121-R124 IonicContact OE1-CZ 3.93Å; E121-R124 IonicContact OE1-NE 2.76Å; E121-R124 PolarHBondContact OE1-NE 2.85Å; E121-R124 IonicContact OE1-NH2 3.94Å; E121-R124 IonicContact OE2-CZ 2.65Å; E121-R124 VanDerWaalsContact OE2-CZ 3.24Å; E121-R124 IonicContact OE2-NE 3.53Å; E121-R124 PolarHBondContact OE2-NE 3.48Å; E121-R124 IonicContact OE2-NH2 2.95Å; E121-R124 PolarHBondContact OE2-NH2 3.46Å |
| 122 | H | 98.3 | Very high | 98.7 | Very high | 154 Ų | 154 | 51.2 Ų | 51.2 | 71% | 0.713 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -64.5 | -13 | 176.3 | 65.5 | -77.4 | 0 | 0 | 0 | 114.3 | L120 | L120-H122 VanDerWaalsContact C-N 3.26Å; L120-H122 PolarHBondContact O-N 3.33Å |
| 123 | Q | 98.7 | Very high | 98.7 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -111 | 7.6 | 176.1 | -51.8 | 180 | 24.7 | 0 | 0 | 112.1 | T85 L120 E121 Q125 | T85-Q123 WeakPolarHBondContact CA-O 3.49Å; T85-Q123 HydrophobicContact CG2-CB 3.88Å; L120-Q123 HydrophobicContact CB-CB 4.37Å; L120-Q123 CarbonylContact O-C 3.56Å; L120-Q123 WeakPolarHBondContact O-CA 3.21Å; L120-Q123 PolarHBondContact O-N 3.25Å; E121-Q123 PolarHBondContact O-N 2.55Å; E121-Q123 VanDerWaalsContact O-N 3.11Å; Q123-Q125 PolarHBondContact O-N 3.14Å |
| 124 | R | 98.7 | Very high | 98.7 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 18% | 0.177 | 27% | 0.267 | C | S | . | . | trans | -59.3 | 128.1 | -178.2 | -178.5 | 179.4 | -70.4 | -89.2 | 8.1 | 110.4 | I84 L120 E121 V126 T128 E144 | I84-R124 HydrophobicContact CD1-CB 4.17Å; I84-R124 HydrophobicContact CD1-CG 4.2Å; I84-R124 VanDerWaalsContact CD1-CZ 3.41Å; L120-R124 PolarHBondContact O-N 3.37Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 3.13Å; E121-R124 WeakPolarHBondContact OE1-CD 3.5Å; E121-R124 IonicContact OE1-CZ 3.93Å; E121-R124 IonicContact OE1-NE 2.76Å; E121-R124 PolarHBondContact OE1-NE 2.85Å; E121-R124 IonicContact OE1-NH2 3.94Å; E121-R124 IonicContact OE2-CZ 2.65Å; E121-R124 VanDerWaalsContact OE2-CZ 3.24Å; E121-R124 IonicContact OE2-NE 3.53Å; E121-R124 PolarHBondContact OE2-NE 3.48Å; E121-R124 IonicContact OE2-NH2 2.95Å; E121-R124 PolarHBondContact OE2-NH2 3.46Å; R124-V126 VanDerWaalsContact CD-O 3.28Å; R124-V126 WeakPolarHBondContact CD-O 3.48Å; R124-V126 WeakPolarHBondContact CG-O 3.45Å; R124-V126 PolarHBondContact NH1-O 3.29Å; R124-T128 PolarHBondContact NH1-OG1 2.99Å; R124-E144 IonicContact CZ-OE1 3.07Å; R124-E144 IonicContact CZ-OE2 3.51Å; R124-E144 IonicContact NH1-OE1 2.73Å; R124-E144 PolarHBondContact NH1-OE1 2.64Å; R124-E144 IonicContact NH1-OE2 3.21Å; R124-E144 PolarHBondContact NH1-OE2 2.91Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 3.02Å; R124-E144 PolarHBondContact NH2-OE2 2.79Å | ||
| 125 | Q | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | trans | -110.6 | -29.9 | 172.3 | -63.3 | -176.7 | 9.3 | 0 | 0 | 111.6 | I84 T85 Q87 Q123 | I84-Q125 PolarHBondContact O-N 2.99Å; T85-Q125 PolarHBondContact O-NE2 3.41Å; T85-Q125 VanDerWaalsContact O-NE2 3.11Å; T85-Q125 PolarHBondContact O-OE1 2.81Å; Q87-Q125 HydrophobicContact CB-CB 4.42Å; Q87-Q125 VanDerWaalsContact N-OE1 3.09Å; Q87-Q125 PolarHBondContact OE1-O 2.91Å; Q123-Q125 PolarHBondContact O-N 3.14Å | ||
| 126 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -104.7 | 118.6 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 109 | Y82 I84 F90 R124 E130 | Y82-V126 HydrophobicContact CD2-CG1 4.48Å; Y82-V126 HydrophobicContact CD2-CG2 4.24Å; Y82-V126 HydrophobicContact CE2-CB 3.86Å; Y82-V126 HydrophobicContact CE2-CG1 3.65Å; Y82-V126 HydrophobicContact CE2-CG2 4.07Å; I84-V126 PolarHBondContact O-N 3.05Å; F90-V126 HydrophobicContact CB-CG1 4.28Å; F90-V126 HydrophobicContact CB-CG2 3.64Å; F90-V126 HydrophobicContact CD1-CG1 4.03Å; F90-V126 HydrophobicContact CD2-CG1 3.9Å; F90-V126 HydrophobicContact CE1-CG1 4.31Å; F90-V126 HydrophobicContact CE2-CG1 4.19Å; F90-V126 HydrophobicContact CG-CG1 3.81Å; F90-V126 HydrophobicContact CG-CG2 4.08Å; F90-V126 HydrophobicContact CZ-CG1 4.38Å; R124-V126 VanDerWaalsContact CD-O 3.28Å; R124-V126 WeakPolarHBondContact CD-O 3.48Å; R124-V126 WeakPolarHBondContact CG-O 3.45Å; R124-V126 PolarHBondContact NH1-O 3.29Å; V126-E130 HydrophobicContact CG1-CB 4.21Å |
| 127 | R | 98.7 | Very high | 98.7 | Very high | 143 Ų | 143 | 69.6 Ų | 69.6 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | trans | -72.5 | 150.9 | 178.7 | -62 | 171.3 | 60.1 | -121.7 | -8 | 110.6 | D129 E130 G131 | R127-D129 WeakPolarHBondContact CB-OD1 3.29Å; R127-D129 IonicContact CZ-OD1 3.24Å; R127-D129 IonicContact CZ-OD2 3.89Å; R127-D129 IonicContact NE-OD1 2.74Å; R127-D129 VanDerWaalsContact NH1-CG 3.29Å; R127-D129 IonicContact NH1-OD1 2.73Å; R127-D129 PolarHBondContact NH1-OD1 2.93Å; R127-D129 IonicContact NH1-OD2 2.83Å; R127-D129 PolarHBondContact NH1-OD2 2.94Å; R127-D129 IonicContact NH2-OD1 3.78Å; R127-D129 PolarHBondContact NH2-OD1 3.01Å; R127-D129 IonicContact NH2-OD2 2.9Å; R127-D129 PolarHBondContact NH2-OD2 2.87Å; R127-D129 PolarHBondContact O-N 3.31Å; R127-E130 HydrophobicContact CB-CG 4.22Å; R127-E130 WeakPolarHBondContact CB-OE2 3.45Å; R127-E130 PolarHBondContact N-OE2 2.99Å; R127-E130 WeakPolarHBondContact O-CB 3.39Å; R127-E130 PolarHBondContact O-N 3.37Å; R127-E130 VanDerWaalsContact O-N 3.14Å; R127-G131 PolarHBondContact O-N 3.04Å | ||
| 128 | T | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 68 Ų | 68 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -34.2 | -179.6 | -54 | 0 | 0 | 0 | 0 | 112.4 | R124 E130 G131 L132 F142 E144 | R124-T128 PolarHBondContact NH1-OG1 2.99Å; T128-E130 VanDerWaalsContact C-N 3.35Å; T128-G131 PolarHBondContact O-N 3Å; T128-L132 HydrophobicContact CG2-CD1 4.16Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 3.04Å; T128-F142 HydrophobicContact CG2-CE1 4.07Å; T128-E144 WeakPolarHBondContact CA-OE1 3.11Å; T128-E144 WeakPolarHBondContact CB-OE1 3.42Å; T128-E144 PolarHBondContact OG1-OE1 3.03Å; T128-E144 PolarHBondContact OG1-OE2 3.09Å |
| 129 | D | 98.7 | Very high | 98.6 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -29.5 | 177.1 | 65.3 | -31 | 0 | 0 | 0 | 113 | R127 A133 | R127-D129 WeakPolarHBondContact CB-OD1 3.29Å; R127-D129 IonicContact CZ-OD1 3.24Å; R127-D129 IonicContact CZ-OD2 3.89Å; R127-D129 IonicContact NE-OD1 2.74Å; R127-D129 VanDerWaalsContact NH1-CG 3.29Å; R127-D129 IonicContact NH1-OD1 2.73Å; R127-D129 PolarHBondContact NH1-OD1 2.93Å; R127-D129 IonicContact NH1-OD2 2.83Å; R127-D129 PolarHBondContact NH1-OD2 2.94Å; R127-D129 IonicContact NH2-OD1 3.78Å; R127-D129 PolarHBondContact NH2-OD1 3.01Å; R127-D129 IonicContact NH2-OD2 2.9Å; R127-D129 PolarHBondContact NH2-OD2 2.87Å; R127-D129 PolarHBondContact O-N 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 3.4Å |
| 130 | E | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 171.4 | -64.9 | 176.7 | 82.2 | 0 | 0 | 111.4 | F90 V126 R127 T128 A133 L134 | F90-E130 HydrophobicContact CE1-CB 4.25Å; F90-E130 HydrophobicContact CZ-CB 4.16Å; V126-E130 HydrophobicContact CG1-CB 4.21Å; R127-E130 HydrophobicContact CB-CG 4.22Å; R127-E130 WeakPolarHBondContact CB-OE2 3.45Å; R127-E130 PolarHBondContact N-OE2 2.99Å; R127-E130 WeakPolarHBondContact O-CB 3.39Å; R127-E130 PolarHBondContact O-N 3.37Å; R127-E130 VanDerWaalsContact O-N 3.14Å; T128-E130 VanDerWaalsContact C-N 3.35Å; E130-A133 PolarHBondContact O-N 3.19Å; E130-L134 WeakPolarHBondContact O-CB 3.16Å; E130-L134 PolarHBondContact O-N 3.43Å |
| 131 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 R127 T128 L134 A135 | L113-G131 WeakPolarHBondContact CD2-O 3.37Å; R127-G131 PolarHBondContact O-N 3.04Å; T128-G131 PolarHBondContact O-N 3Å; G131-L134 PolarHBondContact O-N 2.97Å; G131-A135 WeakPolarHBondContact O-CB 3.39Å; G131-A135 PolarHBondContact O-N 3.05Å |
| 132 | L | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.5 | -76 | 166.1 | 0 | 0 | 0 | 112.3 | T128 L134 A135 Q136 F142 | T128-L132 HydrophobicContact CG2-CD1 4.16Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 3.04Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.81Å; L132-A135 PolarHBondContact O-N 3.13Å; L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.08Å; L132-Q136 PolarHBondContact O-N 3.06Å; L132-F142 HydrophobicContact CD2-CB 4.39Å; L132-F142 HydrophobicContact CD2-CD1 3.51Å; L132-F142 HydrophobicContact CD2-CE1 4.23Å; L132-F142 HydrophobicContact CD2-CG 4.35Å; L132-F142 HydrophobicContact CG-CD1 3.69Å; L132-F142 HydrophobicContact CG-CE1 3.93Å |
| 133 | A | 98.9 | Very high | 98.6 | Very high | 52 Ų | 52 | 61 Ų | 61 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D129 E130 Q136 F137 | D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 3.4Å; E130-A133 PolarHBondContact O-N 3.19Å; A133-Q136 PolarHBondContact O-N 2.81Å; A133-F137 WeakPolarHBondContact O-CB 3.3Å; A133-F137 PolarHBondContact O-N 2.88Å |
| 134 | L | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.7 | -175.2 | 62.4 | 0 | 0 | 0 | 111.7 | F90 I93 K94 L113 E130 G131 L132 F137 W138 | F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE2-CB 4.29Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 3.98Å; F90-L134 HydrophobicContact CZ-CD2 3.61Å; F90-L134 HydrophobicContact CZ-CG 4.41Å; I93-L134 HydrophobicContact CD1-CD2 3.95Å; K94-L134 HydrophobicContact CG-CD2 4.44Å; L113-L134 HydrophobicContact CD2-CB 4.12Å; L113-L134 HydrophobicContact CD2-CD2 4.04Å; L113-L134 HydrophobicContact CD2-CG 4.17Å; E130-L134 WeakPolarHBondContact O-CB 3.16Å; E130-L134 PolarHBondContact O-N 3.43Å; G131-L134 PolarHBondContact O-N 2.97Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.81Å; L134-F137 WeakPolarHBondContact O-CB 3.4Å; L134-F137 PolarHBondContact O-N 3.39Å; L134-W138 HydrophobicContact CD1-CD2 4.23Å; L134-W138 HydrophobicContact CD1-CZ2 3.8Å; L134-W138 HydrophobicContact CD2-CH2 3.87Å; L134-W138 HydrophobicContact CD2-CZ2 3.83Å; L134-W138 HydrophobicContact CD2-CZ3 4.31Å; L134-W138 HydrophobicContact CG-CD2 4.09Å; L134-W138 HydrophobicContact CG-CE3 4.4Å; L134-W138 HydrophobicContact CG-CH2 4.29Å; L134-W138 HydrophobicContact CG-CZ2 3.94Å; L134-W138 WeakPolarHBondContact O-CB 3.15Å; L134-W138 PolarHBondContact O-N 3.11Å |
| 135 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L113 G131 L132 F137 W138 N139 C140 F142 | L113-A135 HydrophobicContact CB-CB 4.42Å; L113-A135 HydrophobicContact CD2-CB 4.04Å; G131-A135 WeakPolarHBondContact O-CB 3.39Å; G131-A135 PolarHBondContact O-N 3.05Å; L132-A135 PolarHBondContact O-N 3.13Å; A135-F137 VanDerWaalsContact C-N 3.35Å; A135-W138 CarbonylContact O-C 3.49Å; A135-W138 PolarHBondContact O-N 2.9Å; A135-N139 WeakPolarHBondContact O-CA 3.28Å; A135-N139 PolarHBondContact O-N 2.9Å; A135-C140 WeakPolarHBondContact CB-O 3.38Å; A135-C140 PolarHBondContact O-N 3.43Å; A135-F142 HydrophobicContact CB-CB 3.59Å; A135-F142 HydrophobicContact CB-CG 4.4Å |
| 136 | Q | 98.7 | Very high | 98.7 | Very high | 151 Ų | 151 | 50.2 Ų | 50.2 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 171.6 | -73.6 | 174.1 | 2.4 | 0 | 0 | 111.2 | L132 A133 W138 N139 | L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.08Å; L132-Q136 PolarHBondContact O-N 3.06Å; A133-Q136 PolarHBondContact O-N 2.81Å; Q136-W138 VanDerWaalsContact C-N 3.31Å; Q136-W138 PolarHBondContact O-N 3.32Å; Q136-N139 PolarHBondContact O-N 3.45Å |
| 137 | F | 98.5 | Very high | 98.7 | Very high | 164 Ų | 164 | 50.3 Ų | 50.3 | 72% | 0.719 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.7 | -37.5 | 176.6 | 179.7 | -106.5 | 0 | 0 | 0 | 112.5 | A133 L134 A135 N139 | A133-F137 WeakPolarHBondContact O-CB 3.3Å; A133-F137 PolarHBondContact O-N 2.88Å; L134-F137 WeakPolarHBondContact O-CB 3.4Å; L134-F137 PolarHBondContact O-N 3.39Å; A135-F137 VanDerWaalsContact C-N 3.35Å; F137-N139 VanDerWaalsContact C-N 3.27Å |
| 138 | W | 98.3 | Very high | 98.6 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.3 | -8.8 | 174.6 | -70.3 | -4.5 | 0 | 0 | 0 | 114 | I93 K94 R97 L111 L113 L134 A135 Q136 | I93-W138 HydrophobicContact CD1-CH2 4.1Å; I93-W138 HydrophobicContact CD1-CZ3 4.5Å; I93-W138 HydrophobicContact CG1-CH2 4.37Å; K94-W138 HydrophobicContact CB-CZ2 4.34Å; K94-W138 HydrophobicContact CG-CZ2 4.08Å; R97-W138 HydrophobicContact CB-CE3 4.5Å; R97-W138 HydrophobicContact CB-CH2 3.59Å; R97-W138 HydrophobicContact CB-CZ2 3.71Å; R97-W138 HydrophobicContact CB-CZ3 4.01Å; R97-W138 HydrophobicContact CG-CD2 3.96Å; R97-W138 HydrophobicContact CG-CE3 4.1Å; R97-W138 HydrophobicContact CG-CH2 4.02Å; R97-W138 HydrophobicContact CG-CZ2 3.88Å; R97-W138 HydrophobicContact CG-CZ3 4.12Å; L111-W138 HydrophobicContact CD2-CE3 3.95Å; L111-W138 HydrophobicContact CD2-CZ3 4.32Å; L113-W138 HydrophobicContact CD1-CZ3 4.03Å; L134-W138 HydrophobicContact CD1-CD2 4.23Å; L134-W138 HydrophobicContact CD1-CZ2 3.8Å; L134-W138 HydrophobicContact CD2-CH2 3.87Å; L134-W138 HydrophobicContact CD2-CZ2 3.83Å; L134-W138 HydrophobicContact CD2-CZ3 4.31Å; L134-W138 HydrophobicContact CG-CD2 4.09Å; L134-W138 HydrophobicContact CG-CE3 4.4Å; L134-W138 HydrophobicContact CG-CH2 4.29Å; L134-W138 HydrophobicContact CG-CZ2 3.94Å; L134-W138 WeakPolarHBondContact O-CB 3.15Å; L134-W138 PolarHBondContact O-N 3.11Å; A135-W138 CarbonylContact O-C 3.49Å; A135-W138 PolarHBondContact O-N 2.9Å; Q136-W138 VanDerWaalsContact C-N 3.31Å; Q136-W138 PolarHBondContact O-N 3.32Å |
| 139 | N | 97.1 | Very high | 98.6 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 53.1 | -172.7 | -172.6 | 29 | 0 | 0 | 0 | 111.6 | Q108 A135 Q136 F137 | Q108-N139 PolarHBondContact NE2-ND2 3.47Å; A135-N139 WeakPolarHBondContact O-CA 3.28Å; A135-N139 PolarHBondContact O-N 2.9Å; Q136-N139 PolarHBondContact O-N 3.45Å; F137-N139 VanDerWaalsContact C-N 3.27Å |
| 140 | C | 98.4 | Very high | 98.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | trans | -136.2 | 159.8 | 178.4 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | L111 A135 | L111-C140 HydrophobicContact CB-CB 4.47Å; L111-C140 HydrophobicContact CD2-CB 3.94Å; L111-C140 VanDerWaalsContact CD2-SG 3.52Å; L111-C140 WeakPolarHBondContact O-CB 3.29Å; A135-C140 WeakPolarHBondContact CB-O 3.38Å; A135-C140 PolarHBondContact O-N 3.43Å | ||
| 141 | P | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | trans | -64.6 | 159.3 | 170.6 | 25.4 | -34.3 | 0 | 0 | 0 | 112.6 | L111 L112 L113 E163 | L111-P141 WeakPolarHBondContact O-CD 3.43Å; L112-P141 HydrophobicContact CB-CG 4.45Å; L112-P141 HydrophobicContact CD1-CB 3.7Å; L112-P141 HydrophobicContact CD1-CG 3.69Å; L113-P141 PolarHBondContact N-O 3.3Å; L113-P141 VanDerWaalsContact N-O 3.1Å; P141-E163 HydrophobicContact CG-CB 4.45Å; P141-E163 HydrophobicContact CG-CG 4.43Å | ||
| 142 | F | 98.9 | Very high | 98.6 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.6 | 176.5 | 173.8 | -113.9 | 0 | 0 | 0 | 111.1 | Y82 L113 T128 L132 A135 E144 | Y82-F142 HydrophobicContact CE1-CE2 4.09Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.35Å; L113-F142 HydrophobicContact CB-CD2 4.16Å; L113-F142 HydrophobicContact CD2-CD2 3.95Å; L113-F142 HydrophobicContact CD2-CE2 4.41Å; L113-F142 HydrophobicContact CG-CD2 3.82Å; L113-F142 HydrophobicContact CG-CE2 4.3Å; L113-F142 WeakPolarHBondContact O-CA 3.36Å; L113-F142 WeakPolarHBondContact O-CD2 3.11Å; T128-F142 HydrophobicContact CG2-CE1 4.07Å; L132-F142 HydrophobicContact CD2-CB 4.39Å; L132-F142 HydrophobicContact CD2-CD1 3.51Å; L132-F142 HydrophobicContact CD2-CE1 4.23Å; L132-F142 HydrophobicContact CD2-CG 4.35Å; L132-F142 HydrophobicContact CG-CD1 3.69Å; L132-F142 HydrophobicContact CG-CE1 3.93Å; A135-F142 HydrophobicContact CB-CB 3.59Å; A135-F142 HydrophobicContact CB-CG 4.4Å; F142-E144 HydrophobicContact CE1-CG 3.8Å; F142-E144 HydrophobicContact CE2-CG 4.33Å; F142-E144 HydrophobicContact CZ-CG 3.42Å; F142-E144 VanDerWaalsContact CZ-CG 3.42Å |
| 143 | V | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.5 | 174 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | L112 L113 V114 G115 N152 T155 V156 E159 | L112-V143 HydrophobicContact CD1-CG2 4.09Å; L113-V143 PolarHBondContact O-N 2.91Å; V114-V143 VanDerWaalsContact CA-O 3.3Å; V114-V143 WeakPolarHBondContact CA-O 3.34Å; G115-V143 PolarHBondContact N-O 3.15Å; V143-N152 HydrophobicContact CG1-CB 3.8Å; V143-T155 HydrophobicContact CG2-CG2 4.31Å; V143-V156 HydrophobicContact CB-CG2 4.2Å; V143-V156 HydrophobicContact CG1-CG2 3.81Å; V143-E159 HydrophobicContact CG2-CG 4.27Å |
| 144 | E | 98.9 | Very high | 98.6 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 138.6 | 159.2 | -68.4 | -165.2 | 170.6 | 0 | 0 | 110.4 | G115 C118 R124 T128 F142 N152 | G115-E144 CarbonylContact O-C 3.4Å; G115-E144 WeakPolarHBondContact O-CA 3.28Å; C118-E144 HydrophobicContact CB-CB 4.29Å; R124-E144 IonicContact CZ-OE1 3.07Å; R124-E144 IonicContact CZ-OE2 3.51Å; R124-E144 IonicContact NH1-OE1 2.73Å; R124-E144 PolarHBondContact NH1-OE1 2.64Å; R124-E144 IonicContact NH1-OE2 3.21Å; R124-E144 PolarHBondContact NH1-OE2 2.91Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 3.02Å; R124-E144 PolarHBondContact NH2-OE2 2.79Å; T128-E144 WeakPolarHBondContact CA-OE1 3.11Å; T128-E144 WeakPolarHBondContact CB-OE1 3.42Å; T128-E144 PolarHBondContact OG1-OE1 3.03Å; T128-E144 PolarHBondContact OG1-OE2 3.09Å; F142-E144 HydrophobicContact CE1-CG 3.8Å; F142-E144 HydrophobicContact CE2-CG 4.33Å; F142-E144 HydrophobicContact CZ-CG 3.42Å; F142-E144 VanDerWaalsContact CZ-CG 3.42Å; E144-N152 WeakPolarHBondContact O-CB 3.35Å; E144-N152 PolarHBondContact O-ND2 3.37Å |
| 145 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 165.7 | -178.7 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | L19 V114 G115 N116 K117 C118 Q151 N152 V156 | L19-C145 HydrophobicContact CD1-CB 4.48Å; V114-C145 WeakPolarHBondContact CG1-SG 3.36Å; G115-C145 PolarHBondContact O-N 2.95Å; N116-C145 CarbonylContact C-O 3.54Å; N116-C145 WeakPolarHBondContact CA-O 2.87Å; N116-C145 PolarHBondContact OD1-O 3.24Å; N116-C145 PolarHBondContact OD1-SG 3.06Å; K117-C145 PolarHBondContact N-O 3.36Å; C118-C145 PolarHBondContact N-O 3.12Å; C118-C145 PolarHBondContact SG-O 2.97Å; C118-C145 VanDerWaalsContact SG-O 3.34Å; C145-Q151 WeakPolarHBondContact CA-O 3.42Å; C145-Q151 VanDerWaalsContact CB-O 3.29Å; C145-Q151 WeakPolarHBondContact CB-O 3.16Å; C145-N152 HydrophobicContact CB-CB 4Å; C145-V156 HydrophobicContact CB-CG2 4.11Å |
| 146 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -132.4 | 115.5 | 165 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | D119 K148 I149 A150 Q151 | D119-S146 VanDerWaalsContact OD1-CB 3.26Å; D119-S146 WeakPolarHBondContact OD1-CB 3.23Å; D119-S146 PolarHBondContact OD1-OG 3.45Å; S146-K148 PolarHBondContact O-N 3.48Å; S146-K148 PolarHBondContact OG-N 2.89Å; S146-K148 VanDerWaalsContact OG-N 3.15Å; S146-I149 PolarHBondContact OG-N 3.33Å; S146-A150 CarbonylContact O-C 3.43Å; S146-A150 WeakPolarHBondContact O-CA 3.05Å; S146-A150 PolarHBondContact O-N 2.97Å; S146-A150 VanDerWaalsContact O-N 3.14Å; S146-Q151 PolarHBondContact N-O 2.76Å; S146-Q151 PolarHBondContact O-N 3.4Å |
| 147 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A18 L19 Q22 F28 N116 | A18-A147 HydrophobicContact CB-CB 3.79Å; L19-A147 HydrophobicContact CB-CB 4.37Å; L19-A147 HydrophobicContact CD1-CB 4.49Å; Q22-A147 WeakPolarHBondContact CG-O 3.37Å; F28-A147 HydrophobicContact CD2-CB 4.31Å; F28-A147 HydrophobicContact CE2-CB 4.34Å; N116-A147 PolarHBondContact OD1-N 3.3Å |
| 148 | K | 98.2 | Very high | 98.6 | Very high | 112 Ų | 112 | 40.1 Ų | 40.1 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -44.1 | -174.9 | -173.7 | 179 | -177.7 | 179.8 | 0 | 113 | F28 D119 S146 | F28-K148 HydrophobicContact CD1-CG 4.21Å; F28-K148 HydrophobicContact CD2-CB 4.32Å; F28-K148 HydrophobicContact CE1-CB 4.36Å; F28-K148 HydrophobicContact CE1-CG 3.96Å; F28-K148 HydrophobicContact CE2-CB 4.03Å; F28-K148 HydrophobicContact CZ-CB 4.06Å; F28-K148 HydrophobicContact CZ-CG 4.13Å; D119-K148 WeakPolarHBondContact OD2-CD 3.38Å; S146-K148 PolarHBondContact O-N 3.48Å; S146-K148 PolarHBondContact OG-N 2.89Å; S146-K148 VanDerWaalsContact OG-N 3.15Å |
| 149 | I | 98.2 | Very high | 98.6 | Very high | 98 Ų | 98 | 41.4 Ų | 41.4 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 16.9 | -178.4 | 64.2 | 165.8 | 0 | 0 | 0 | 112.9 | D119 S146 Q151 | D119-I149 HydrophobicContact CB-CD1 4.09Å; D119-I149 HydrophobicContact CB-CG1 4.18Å; D119-I149 HydrophobicContact CB-CG2 4.37Å; S146-I149 PolarHBondContact OG-N 3.33Å; I149-Q151 HydrophobicContact CD1-CB 4.14Å; I149-Q151 HydrophobicContact CG1-CB 3.97Å; I149-Q151 PolarHBondContact O-N 3.34Å; I149-Q151 VanDerWaalsContact O-N 3.09Å |
| 150 | A | 98.1 | Very high | 98.7 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 13.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q22 S146 N152 | Q22-A150 HydrophobicContact CG-CB 4.4Å; S146-A150 CarbonylContact O-C 3.43Å; S146-A150 WeakPolarHBondContact O-CA 3.05Å; S146-A150 PolarHBondContact O-N 2.97Å; S146-A150 VanDerWaalsContact O-N 3.14Å; A150-N152 PolarHBondContact O-N 2.74Å |
| 151 | Q | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | B | Isolated β-bridge | trans | -71.4 | 126.8 | -176.6 | -177.7 | 177.9 | -5.3 | 0 | 0 | 111.1 | C118 C145 S146 I149 V153 | C118-Q151 PolarHBondContact SG-OE1 3.45Å; C118-Q151 VanDerWaalsContact SG-OE1 3.4Å; C145-Q151 WeakPolarHBondContact CA-O 3.42Å; C145-Q151 VanDerWaalsContact CB-O 3.29Å; C145-Q151 WeakPolarHBondContact CB-O 3.16Å; S146-Q151 PolarHBondContact N-O 2.76Å; S146-Q151 PolarHBondContact O-N 3.4Å; I149-Q151 HydrophobicContact CD1-CB 4.14Å; I149-Q151 HydrophobicContact CG1-CB 3.97Å; I149-Q151 PolarHBondContact O-N 3.34Å; I149-Q151 VanDerWaalsContact O-N 3.09Å; Q151-V153 PolarHBondContact O-N 3.14Å |
| 152 | N | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 12.6 | 177.8 | -65.4 | -26.1 | 0 | 0 | 0 | 115.8 | V143 E144 C145 A150 T155 V156 | V143-N152 HydrophobicContact CG1-CB 3.8Å; E144-N152 WeakPolarHBondContact O-CB 3.35Å; E144-N152 PolarHBondContact O-ND2 3.37Å; C145-N152 HydrophobicContact CB-CB 4Å; A150-N152 PolarHBondContact O-N 2.74Å; N152-T155 VanDerWaalsContact O-CB 3.32Å; N152-T155 WeakPolarHBondContact O-CB 3.46Å; N152-T155 PolarHBondContact O-N 3.15Å; N152-V156 WeakPolarHBondContact O-CG2 3.42Å; N152-V156 PolarHBondContact O-N 3.41Å |
| 153 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | -178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | L19 Q22 F23 Q151 T155 V156 F157 | L19-V153 HydrophobicContact CD1-CB 4.25Å; L19-V153 HydrophobicContact CD1-CG1 4.04Å; L19-V153 HydrophobicContact CD1-CG2 3.79Å; Q22-V153 HydrophobicContact CB-CG1 4.17Å; Q22-V153 HydrophobicContact CB-CG2 4.49Å; Q22-V153 HydrophobicContact CG-CB 4.36Å; Q22-V153 HydrophobicContact CG-CG1 4.04Å; Q22-V153 HydrophobicContact CG-CG2 3.89Å; F23-V153 HydrophobicContact CB-CG1 3.64Å; Q151-V153 PolarHBondContact O-N 3.14Å; V153-T155 VanDerWaalsContact C-N 3.28Å; V153-T155 PolarHBondContact O-N 2.57Å; V153-V156 PolarHBondContact O-N 3.07Å; V153-F157 WeakPolarHBondContact O-CD2 3.16Å |
| 154 | N | 98.4 | Very high | 98.5 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -36 | 174.9 | -70.6 | -36.8 | 0 | 0 | 0 | 112 | F23 V156 F157 A158 | F23-N154 WeakPolarHBondContact CD2-OD1 3.25Å; N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.14Å; N154-F157 PolarHBondContact O-N 3.28Å; N154-A158 WeakPolarHBondContact O-CB 3.48Å; N154-A158 PolarHBondContact O-N 2.92Å |
| 155 | T | 98.8 | Very high | 98.4 | Very high | 58 Ų | 58 | 36.2 Ų | 36.2 | 36% | 0.356 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59 | -45 | 176.6 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | V143 N152 V153 F157 A158 E159 | V143-T155 HydrophobicContact CG2-CG2 4.31Å; N152-T155 VanDerWaalsContact O-CB 3.32Å; N152-T155 WeakPolarHBondContact O-CB 3.46Å; N152-T155 PolarHBondContact O-N 3.15Å; V153-T155 VanDerWaalsContact C-N 3.28Å; V153-T155 PolarHBondContact O-N 2.57Å; T155-F157 PolarHBondContact O-N 2.94Å; T155-A158 PolarHBondContact O-N 2.84Å; T155-E159 HydrophobicContact CG2-CG 4.07Å; T155-E159 WeakPolarHBondContact O-CB 3.41Å; T155-E159 VanDerWaalsContact O-CG 3.29Å; T155-E159 WeakPolarHBondContact O-CG 3.29Å; T155-E159 PolarHBondContact O-N 2.87Å |
| 156 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.3 | -51.1 | 178 | 167 | 0 | 0 | 0 | 0 | 111.8 | L19 V79 L112 V114 V143 C145 N152 V153 N154 E159 I160 | L19-V156 HydrophobicContact CD2-CG1 4.15Å; V79-V156 HydrophobicContact CG1-CG1 3.98Å; V79-V156 HydrophobicContact CG2-CG1 4.38Å; L112-V156 HydrophobicContact CD2-CB 4.25Å; L112-V156 HydrophobicContact CD2-CG1 3.8Å; L112-V156 WeakPolarHBondContact CD2-O 3.43Å; V114-V156 HydrophobicContact CG1-CG2 4.18Å; V114-V156 HydrophobicContact CG2-CG1 3.94Å; V114-V156 HydrophobicContact CG2-CG2 4.03Å; V143-V156 HydrophobicContact CB-CG2 4.2Å; V143-V156 HydrophobicContact CG1-CG2 3.81Å; C145-V156 HydrophobicContact CB-CG2 4.11Å; N152-V156 WeakPolarHBondContact O-CG2 3.42Å; N152-V156 PolarHBondContact O-N 3.41Å; V153-V156 PolarHBondContact O-N 3.07Å; N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.14Å; V156-E159 PolarHBondContact O-N 2.99Å; V156-I160 PolarHBondContact O-N 3.37Å |
| 157 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.1 | -27.3 | -175.6 | -68.2 | -78.7 | 0 | 0 | 0 | 113.1 | V8 L19 F23 L53 I55 V153 N154 T155 I160 V161 | V8-F157 HydrophobicContact CG2-CE1 4.39Å; L19-F157 HydrophobicContact CG-CE2 4.1Å; L19-F157 HydrophobicContact CG-CZ 4.44Å; F23-F157 HydrophobicContact CB-CD2 3.42Å; F23-F157 VanDerWaalsContact CB-CD2 3.42Å; F23-F157 HydrophobicContact CB-CE2 3.29Å; F23-F157 HydrophobicContact CB-CG 4.38Å; F23-F157 HydrophobicContact CB-CZ 4.16Å; F23-F157 HydrophobicContact CD1-CB 4.2Å; F23-F157 HydrophobicContact CD1-CD1 4.12Å; F23-F157 AromaticContact CD1-CD2 3.6Å; F23-F157 HydrophobicContact CD1-CD2 3.6Å; F23-F157 HydrophobicContact CD1-CE1 4.41Å; F23-F157 AromaticContact CD1-CE2 3.93Å; F23-F157 HydrophobicContact CD1-CE2 3.93Å; F23-F157 AromaticContact CD1-CG 3.69Å; F23-F157 HydrophobicContact CD1-CG 3.69Å; F23-F157 HydrophobicContact CD1-CZ 4.32Å; F23-F157 HydrophobicContact CD2-CB 3.99Å; F23-F157 AromaticContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CE2 4.32Å; F23-F157 AromaticContact CD2-CG 4Å; F23-F157 HydrophobicContact CD2-CG 4Å; F23-F157 HydrophobicContact CE1-CB 3.95Å; F23-F157 HydrophobicContact CE1-CD1 4.31Å; F23-F157 HydrophobicContact CE1-CD2 4.23Å; F23-F157 AromaticContact CE1-CG 3.9Å; F23-F157 HydrophobicContact CE1-CG 3.9Å; F23-F157 HydrophobicContact CE2-CB 3.74Å; F23-F157 HydrophobicContact CE2-CD2 4.18Å; F23-F157 HydrophobicContact CE2-CG 4.19Å; F23-F157 HydrophobicContact CG-CB 4.22Å; F23-F157 AromaticContact CG-CD2 3.2Å; F23-F157 HydrophobicContact CG-CD2 3.2Å; F23-F157 AromaticContact CG-CE2 3.59Å; F23-F157 HydrophobicContact CG-CE2 3.59Å; F23-F157 AromaticContact CG-CG 3.74Å; F23-F157 HydrophobicContact CG-CG 3.74Å; F23-F157 HydrophobicContact CG-CZ 4.4Å; F23-F157 HydrophobicContact CZ-CB 3.72Å; F23-F157 HydrophobicContact CZ-CD2 4.5Å; F23-F157 HydrophobicContact CZ-CG 4.15Å; L53-F157 HydrophobicContact CD2-CB 3.95Å; L53-F157 HydrophobicContact CD2-CD1 3.85Å; L53-F157 HydrophobicContact CD2-CG 4.33Å; I55-F157 HydrophobicContact CD1-CD1 3.81Å; I55-F157 HydrophobicContact CD1-CE1 3.59Å; I55-F157 HydrophobicContact CD1-CZ 4.23Å; I55-F157 HydrophobicContact CG1-CD1 4.32Å; I55-F157 HydrophobicContact CG1-CE1 4.11Å; I55-F157 HydrophobicContact CG2-CE1 4.08Å; V153-F157 WeakPolarHBondContact O-CD2 3.16Å; N154-F157 PolarHBondContact O-N 3.28Å; T155-F157 PolarHBondContact O-N 2.94Å; F157-I160 WeakPolarHBondContact O-CG2 3.26Å; F157-V161 WeakPolarHBondContact O-CG2 3.34Å; F157-V161 PolarHBondContact O-N 3.23Å |
| 158 | A | 98.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -45.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I44 V46 N154 T155 I160 V161 R162 | I44-A158 HydrophobicContact CD1-CB 4.46Å; V46-A158 HydrophobicContact CG2-CB 4.21Å; N154-A158 WeakPolarHBondContact O-CB 3.48Å; N154-A158 PolarHBondContact O-N 2.92Å; T155-A158 PolarHBondContact O-N 2.84Å; A158-I160 PolarHBondContact O-N 2.84Å; A158-V161 WeakPolarHBondContact O-CB 3.39Å; A158-V161 PolarHBondContact O-N 3.32Å; A158-R162 WeakPolarHBondContact O-CG 3.41Å; A158-R162 PolarHBondContact O-N 2.92Å |
| 159 | E | 98.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | -179.2 | -76.5 | -55 | 128.8 | 0 | 0 | 112.5 | L112 V143 T155 V156 V161 R162 E163 | L112-E159 HydrophobicContact CD1-CB 4.23Å; L112-E159 HydrophobicContact CD2-CB 4.02Å; V143-E159 HydrophobicContact CG2-CG 4.27Å; T155-E159 HydrophobicContact CG2-CG 4.07Å; T155-E159 WeakPolarHBondContact O-CB 3.41Å; T155-E159 VanDerWaalsContact O-CG 3.29Å; T155-E159 WeakPolarHBondContact O-CG 3.29Å; T155-E159 PolarHBondContact O-N 2.87Å; V156-E159 PolarHBondContact O-N 2.99Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 3.26Å; E159-R162 WeakPolarHBondContact O-CB 3.28Å; E159-R162 PolarHBondContact O-N 2.96Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 2.89Å; E159-R162 IonicContact OE1-NH1 3.26Å; E159-R162 PolarHBondContact OE1-NH1 3.41Å; E159-E163 WeakPolarHBondContact O-CB 3.48Å; E159-E163 PolarHBondContact O-N 3.29Å |
| 160 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -31.6 | 177.4 | -168.4 | 55.2 | 0 | 0 | 0 | 112.3 | V6 V79 L112 V156 F157 A158 E163 M164 | V6-I160 HydrophobicContact CG2-CG1 3.72Å; V6-I160 HydrophobicContact CG2-CG2 4.12Å; V79-I160 HydrophobicContact CG2-CB 3.97Å; V79-I160 HydrophobicContact CG2-CG1 3.96Å; V79-I160 HydrophobicContact CG2-CG2 4.02Å; L112-I160 HydrophobicContact CB-CB 4.32Å; L112-I160 HydrophobicContact CB-CD1 4.03Å; L112-I160 HydrophobicContact CD2-CB 4.37Å; V156-I160 PolarHBondContact O-N 3.37Å; F157-I160 WeakPolarHBondContact O-CG2 3.26Å; A158-I160 PolarHBondContact O-N 2.84Å; I160-E163 HydrophobicContact CD1-CB 4.48Å; I160-E163 PolarHBondContact O-N 3.13Å; I160-M164 HydrophobicContact CG1-CE 4.22Å; I160-M164 WeakPolarHBondContact O-CE 3.02Å; I160-M164 WeakPolarHBondContact O-CG 3.23Å; I160-M164 PolarHBondContact O-N 2.74Å |
| 161 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | 171.9 | 171.2 | 0 | 0 | 0 | 0 | 111 | F4 V46 L53 F157 A158 E159 E163 M164 N165 | F4-V161 HydrophobicContact CD2-CG1 4.18Å; F4-V161 HydrophobicContact CE1-CG1 4.35Å; F4-V161 HydrophobicContact CE2-CG1 3.88Å; F4-V161 HydrophobicContact CZ-CG1 3.96Å; V46-V161 HydrophobicContact CB-CG1 3.99Å; V46-V161 HydrophobicContact CG1-CG1 4.23Å; V46-V161 HydrophobicContact CG2-CB 3.99Å; V46-V161 HydrophobicContact CG2-CG1 3.79Å; L53-V161 HydrophobicContact CD1-CG2 3.89Å; L53-V161 HydrophobicContact CD2-CG2 4.19Å; F157-V161 WeakPolarHBondContact O-CG2 3.34Å; F157-V161 PolarHBondContact O-N 3.23Å; A158-V161 WeakPolarHBondContact O-CB 3.39Å; A158-V161 PolarHBondContact O-N 3.32Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 3.26Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.33Å; V161-M164 HydrophobicContact CG2-CE 4.19Å; V161-M164 PolarHBondContact O-N 2.75Å; V161-N165 WeakPolarHBondContact O-CB 3.36Å; V161-N165 PolarHBondContact O-N 2.86Å; V161-N165 PolarHBondContact O-ND2 3.32Å; V161-N165 VanDerWaalsContact O-ND2 3.14Å |
| 162 | R | 97.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 30% | 0.302 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 172.9 | -70.1 | -175.2 | -179.5 | 114 | 5.1 | 111.6 | V46 D47 A158 E159 N165 Y166 | V46-R162 HydrophobicContact CG1-CG 3.51Å; D47-R162 IonicContact OD1-CZ 3.59Å; D47-R162 VanDerWaalsContact OD1-CZ 3.26Å; D47-R162 IonicContact OD1-NE 3.99Å; D47-R162 PolarHBondContact OD1-NE 3.11Å; D47-R162 IonicContact OD1-NH2 2.74Å; D47-R162 PolarHBondContact OD1-NH2 3.5Å; D47-R162 WeakPolarHBondContact OD2-CG 3.38Å; D47-R162 IonicContact OD2-NE 2.71Å; D47-R162 PolarHBondContact OD2-NE 3.48Å; D47-R162 VanDerWaalsContact OD2-NE 3.1Å; A158-R162 WeakPolarHBondContact O-CG 3.41Å; A158-R162 PolarHBondContact O-N 2.92Å; E159-R162 WeakPolarHBondContact O-CB 3.28Å; E159-R162 PolarHBondContact O-N 2.96Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 2.89Å; E159-R162 IonicContact OE1-NH1 3.26Å; E159-R162 PolarHBondContact OE1-NH1 3.41Å; R162-N165 VanDerWaalsContact O-CB 3.32Å; R162-N165 WeakPolarHBondContact O-CB 3.1Å; R162-N165 PolarHBondContact O-N 3.13Å; R162-N165 VanDerWaalsContact O-N 3.17Å; R162-Y166 WeakPolarHBondContact O-CB 3.41Å; R162-Y166 PolarHBondContact O-N 3.22Å |
| 163 | E | 98.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | -179.8 | -175.2 | 55.5 | -152.9 | 0 | 0 | 111.9 | P110 P141 E159 I160 V161 N165 Y166 M167 | P110-E163 HydrophobicContact CB-CG 4.04Å; P141-E163 HydrophobicContact CG-CB 4.45Å; P141-E163 HydrophobicContact CG-CG 4.43Å; E159-E163 WeakPolarHBondContact O-CB 3.48Å; E159-E163 PolarHBondContact O-N 3.29Å; I160-E163 HydrophobicContact CD1-CB 4.48Å; I160-E163 PolarHBondContact O-N 3.13Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.33Å; E163-N165 VanDerWaalsContact C-N 3.3Å; E163-N165 PolarHBondContact O-N 2.79Å; E163-Y166 PolarHBondContact O-N 2.73Å; E163-M167 WeakPolarHBondContact O-CB 3.3Å; E163-M167 WeakPolarHBondContact O-CG 3.41Å; E163-M167 PolarHBondContact O-N 3.03Å; E163-M167 WeakPolarHBondContact OE1-CE 3.49Å; E163-M167 WeakPolarHBondContact OE1-CG 3.3Å |
| 164 | M | 97.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 172.6 | -75.5 | -173.9 | -74.3 | 0 | 0 | 112.3 | F4 L53 Q76 G77 P110 I160 V161 Q168 | F4-M164 HydrophobicContact CB-CE 3.63Å; F4-M164 HydrophobicContact CB-SD 4.19Å; F4-M164 HydrophobicContact CD1-CB 3.74Å; F4-M164 HydrophobicContact CD1-CE 3.65Å; F4-M164 HydrophobicContact CD1-CG 4.39Å; F4-M164 HydrophobicContact CD1-SD 3.8Å; F4-M164 HydrophobicContact CE1-CB 3.79Å; F4-M164 HydrophobicContact CG-CE 3.96Å; F4-M164 HydrophobicContact CG-SD 4.47Å; L53-M164 HydrophobicContact CD1-CE 4.21Å; Q76-M164 HydrophobicContact CB-SD 3.87Å; G77-M164 PolarHBondContact N-SD 3.12Å; P110-M164 HydrophobicContact CB-CB 4.23Å; P110-M164 HydrophobicContact CB-CG 3.48Å; P110-M164 VanDerWaalsContact CB-CG 3.48Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.9Å; I160-M164 HydrophobicContact CG1-CE 4.22Å; I160-M164 WeakPolarHBondContact O-CE 3.02Å; I160-M164 WeakPolarHBondContact O-CG 3.23Å; I160-M164 PolarHBondContact O-N 2.74Å; V161-M164 HydrophobicContact CG2-CE 4.19Å; V161-M164 PolarHBondContact O-N 2.75Å; M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 VanDerWaalsContact O-CG 3.28Å; M164-Q168 WeakPolarHBondContact O-CG 3.37Å; M164-Q168 PolarHBondContact O-N 2.9Å |
| 165 | N | 95.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 174.3 | -85 | -44.4 | 0 | 0 | 0 | 112.4 | R2 F4 V161 R162 E163 Q168 R169 | R2-N165 PolarHBondContact NH1-OD1 3.21Å; R2-N165 PolarHBondContact NH2-OD1 3.07Å; F4-N165 WeakPolarHBondContact CZ-OD1 3.37Å; V161-N165 WeakPolarHBondContact O-CB 3.36Å; V161-N165 PolarHBondContact O-N 2.86Å; V161-N165 PolarHBondContact O-ND2 3.32Å; V161-N165 VanDerWaalsContact O-ND2 3.14Å; R162-N165 VanDerWaalsContact O-CB 3.32Å; R162-N165 WeakPolarHBondContact O-CB 3.1Å; R162-N165 PolarHBondContact O-N 3.13Å; R162-N165 VanDerWaalsContact O-N 3.17Å; E163-N165 VanDerWaalsContact C-N 3.3Å; E163-N165 PolarHBondContact O-N 2.79Å; N165-Q168 PolarHBondContact O-N 2.83Å; N165-R169 WeakPolarHBondContact O-CG 3.19Å; N165-R169 PolarHBondContact O-N 3.1Å |
| 166 | Y | 93.3 | Very high | 84.2 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.9 | -51.3 | -179.4 | 174.6 | -108 | 0 | 0 | 0 | 111.7 | R162 E163 Q168 R169 S170 | R162-Y166 WeakPolarHBondContact O-CB 3.41Å; R162-Y166 PolarHBondContact O-N 3.22Å; E163-Y166 PolarHBondContact O-N 2.73Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Y166-Q168 PolarHBondContact O-N 2.74Å; Y166-R169 PolarHBondContact O-N 3.42Å; Y166-S170 PolarHBondContact O-N 3.35Å; Y166-S170 PolarHBondContact O-OG 2.73Å |
| 167 | M | 90.1 | Very high | 81.9 | Confident | 19 Ų | 19 | 79 Ų | 79 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | -178.8 | -75.7 | -82.5 | -179.9 | 0 | 0 | 113.2 | Q108 P110 E163 R171 | Q108-M167 HydrophobicContact CB-CE 4.33Å; P110-M167 HydrophobicContact CB-CG 4.49Å; P110-M167 HydrophobicContact CG-CB 3.91Å; P110-M167 HydrophobicContact CG-CG 4.07Å; E163-M167 WeakPolarHBondContact O-CB 3.3Å; E163-M167 WeakPolarHBondContact O-CG 3.41Å; E163-M167 PolarHBondContact O-N 3.03Å; E163-M167 WeakPolarHBondContact OE1-CE 3.49Å; E163-M167 WeakPolarHBondContact OE1-CG 3.3Å; M167-R171 WeakPolarHBondContact O-CG 3.44Å; M167-R171 PolarHBondContact O-N 3.01Å; M167-R171 VanDerWaalsContact O-N 3.1Å |
| 168 | Q | 86.6 | Confident | 79.7 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 38% | 0.379 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176.2 | -75.7 | -170.8 | 24.2 | 0 | 0 | 112.2 | R2 M164 N165 Y166 R171 Y172 | R2-Q168 VanDerWaalsContact NH2-NE2 3.13Å; M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 VanDerWaalsContact O-CG 3.28Å; M164-Q168 WeakPolarHBondContact O-CG 3.37Å; M164-Q168 PolarHBondContact O-N 2.9Å; N165-Q168 PolarHBondContact O-N 2.83Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Y166-Q168 PolarHBondContact O-N 2.74Å; Q168-R171 PolarHBondContact O-N 2.85Å; Q168-Y172 PolarHBondContact O-N 2.96Å; Q168-Y172 VanDerWaalsContact O-N 3.13Å |
| 169 | R | 82.1 | Confident | 77.6 | Confident | 180 Ų | 180 | 89.1 Ų | 89.1 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.2 | -69.4 | 174.3 | -178.4 | 177.2 | 2 | 111.5 | N165 Y166 R171 Y172 G173 | N165-R169 WeakPolarHBondContact O-CG 3.19Å; N165-R169 PolarHBondContact O-N 3.1Å; Y166-R169 PolarHBondContact O-N 3.42Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3.04Å; R169-Y172 PolarHBondContact O-N 2.98Å; R169-G173 PolarHBondContact O-N 2.8Å |
| 170 | S | 77.3 | Confident | 75 | Confident | 49 Ų | 49 | 89.6 Ų | 89.6 | 34% | 0.343 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 177.2 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | Y166 R174 | Y166-S170 PolarHBondContact O-N 3.35Å; Y166-S170 PolarHBondContact O-OG 2.73Å; S170-R174 PolarHBondContact O-N 2.88Å |
| 171 | R | 73 | Confident | 72.2 | Confident | 133 Ų | 133 | 92.4 Ų | 92.4 | 50% | 0.502 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 174 | -74.4 | 178.9 | -178.9 | -173 | 0.3 | 112.3 | M167 Q168 R169 R174 K175 | M167-R171 WeakPolarHBondContact O-CG 3.44Å; M167-R171 PolarHBondContact O-N 3.01Å; M167-R171 VanDerWaalsContact O-N 3.1Å; Q168-R171 PolarHBondContact O-N 2.85Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3.04Å; R171-R174 PolarHBondContact O-N 2.81Å; R171-K175 PolarHBondContact O-N 3.37Å |
| 172 | Y | 59.9 | Low | 69.4 | Low | 156 Ų | 156 | 95.7 Ų | 95.7 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 177.9 | -166.9 | -102.7 | 0 | 0 | 0 | 112 | Q168 R169 R174 K175 Q176 | Q168-Y172 PolarHBondContact O-N 2.96Å; Q168-Y172 VanDerWaalsContact O-N 3.13Å; R169-Y172 PolarHBondContact O-N 2.98Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 3.17Å; Y172-K175 PolarHBondContact O-N 3.23Å; Y172-Q176 HydrophobicContact CE1-CG 4.21Å; Y172-Q176 PolarHBondContact O-N 3.13Å; Y172-Q176 VanDerWaalsContact O-N 3.14Å |
| 173 | G | 58.5 | Low | 66.5 | Low | 33 Ų | 33 | 97.2 Ų | 97.2 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R169 R177 | R169-G173 PolarHBondContact O-N 2.8Å; G173-R177 PolarHBondContact O-N 2.77Å |
| 174 | R | 58.1 | Low | 63.5 | Low | 189 Ų | 189 | 102 Ų | 102 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 173.8 | -77.7 | -174.8 | -175.5 | 164.6 | 3.3 | 112.7 | S170 R171 Y172 Q176 R177 C178 | S170-R174 PolarHBondContact O-N 2.88Å; R171-R174 PolarHBondContact O-N 2.81Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 3.17Å; R174-Q176 PolarHBondContact O-N 3.28Å; R174-R177 PolarHBondContact O-N 3.2Å; R174-C178 PolarHBondContact O-N 3.02Å |
| 175 | K | 55.6 | Low | 60.8 | Low | 152 Ų | 152 | 109.9 Ų | 109.9 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -41 | 177.6 | -80 | -171.6 | 176.4 | -175.9 | 0 | 112.3 | R171 Y172 R177 C178 C179 | R171-K175 PolarHBondContact O-N 3.37Å; Y172-K175 PolarHBondContact O-N 3.23Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.36Å; K175-C178 PolarHBondContact O-N 3.11Å; K175-C179 PolarHBondContact O-N 3.26Å; K175-C179 VanDerWaalsContact O-N 3.09Å |
| 176 | Q | 52.1 | Low | 58.1 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 55% | 0.547 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.2 | -37.1 | 177 | -73.9 | -168.2 | -11.6 | 0 | 0 | 112.6 | Y172 R174 C179 G180 | Y172-Q176 HydrophobicContact CE1-CG 4.21Å; Y172-Q176 PolarHBondContact O-N 3.13Å; Y172-Q176 VanDerWaalsContact O-N 3.14Å; R174-Q176 PolarHBondContact O-N 3.28Å; Q176-C179 PolarHBondContact O-N 3.35Å; Q176-G180 PolarHBondContact O-N 3.33Å |
| 177 | R | 50.4 | Low | 56.3 | Low | 215 Ų | 215 | 116.2 Ų | 116.2 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.8 | -36.2 | 175.7 | -71.6 | -177.7 | 68 | 165.1 | 1.2 | 113 | G173 R174 K175 | G173-R177 PolarHBondContact O-N 2.77Å; R174-R177 PolarHBondContact O-N 3.2Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.36Å |
| 178 | C | 52.4 | Low | 54.5 | Low | 109 Ų | 109 | 121.3 Ų | 121.3 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.8 | -36.3 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | R174 K175 | R174-C178 PolarHBondContact O-N 3.02Å; K175-C178 PolarHBondContact O-N 3.11Å |
| 179 | C | 54 | Low | 52.8 | Low | 118 Ų | 118 | 123.6 Ų | 123.6 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.2 | -19 | 177.7 | -62 | 0 | 0 | 0 | 0 | 113.6 | K175 Q176 | K175-C179 PolarHBondContact O-N 3.26Å; K175-C179 VanDerWaalsContact O-N 3.09Å; Q176-C179 PolarHBondContact O-N 3.35Å |
| 180 | G | 44.2 | Very low | 51 | Low | 60 Ų | 60 | 120.2 Ų | 120.2 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q176 G182 | Q176-G180 PolarHBondContact O-N 3.33Å; G180-G182 PolarHBondContact O-N 2.85Å |
| 181 | G | 41.5 | Very low | 49.4 | Very low | 58 Ų | 58 | 124.7 Ų | 124.7 | 60% | 0.598 | 71% | 0.707 | S | S | * | * | trans | -81.8 | 17.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C183 | G181-C183 PolarHBondContact O-N 3.48Š| ||
| 182 | G | 39.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -72 | 59.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G180 V184 | G180-G182 PolarHBondContact O-N 2.85Å; G182-V184 PolarHBondContact O-N 3.31Å | ||
| 183 | C | 37 | Very low | 47 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -79.9 | 94.6 | 167.3 | -73.6 | 0 | 0 | 0 | 0 | 108.2 | G181 L185 | G181-C183 PolarHBondContact O-N 3.48Å; C183-L185 PolarHBondContact O-N 3.11Å | ||
| 184 | V | 35.4 | Very low | 46.1 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -59.4 | 113.4 | 155.1 | 180 | 0 | 0 | 0 | 0 | 106.7 | G182 | G182-V184 PolarHBondContact O-N 3.31Š| ||
| 185 | L | 40.7 | Very low | 45.1 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -115.3 | 111.6 | 159.5 | -72.5 | 175.1 | 0 | 0 | 0 | 106.4 | C183 | C183-L185 PolarHBondContact O-N 3.11Š| ||
| 186 | S | 38 | Very low | 44.1 | Very low | 184 Ų | 184 | 121.1 Ų | 121.1 | 100% | 1.287 | 77% | 0.772 | S | S | * | * | trans | -53 | 0 | 173 | -49.2 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 186 of 186 residues in 104.8 ms
(Link to these results)