| 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 | 92.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | 0 | 90.6 | 0 | -72 | -178.5 | 70.1 | 0 | 0 | 107.9 | L4 S5 I12 V14 L241 D244 V245 L257 H276 | M1-L4 HydrophobicContact CB-CB 4.21Å; M1-L4 HydrophobicContact CE-CB 4.35Å; M1-L4 HydrophobicContact CE-CD2 3.7Å; M1-L4 HydrophobicContact SD-CD2 4.31Å; M1-S5 WeakPolarHBondContact O-CB 3.45Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 PolarHBondContact O-OG 3.49Å; M1-I12 HydrophobicContact CB-CB 4.43Å; M1-I12 HydrophobicContact CB-CG2 4.45Å; M1-I12 PolarHBondContact N-O 3.44Å; M1-I12 HydrophobicContact SD-CG2 4.15Å; M1-V14 HydrophobicContact CG-CG1 4.09Å; M1-V14 HydrophobicContact SD-CB 4.05Å; M1-V14 HydrophobicContact SD-CG1 4.22Å; M1-L241 HydrophobicContact CE-CD2 3.93Å; M1-L241 HydrophobicContact SD-CD2 4.2Å; M1-D244 VanDerWaalsContact C-OD2 3.28Å; M1-D244 HydrophobicContact CB-CB 4.27Å; M1-D244 WeakPolarHBondContact CB-OD2 3.39Å; M1-D244 HydrophobicContact CE-CB 3.88Å; M1-D244 HydrophobicContact CG-CB 4.38Å; M1-V245 HydrophobicContact CG-CG1 3.94Å; M1-L257 HydrophobicContact CE-CD2 3.98Å; M1-H276 PolarHBondContact SD-NE2 2.76Å | |||
| 2 | E | 91.8 | Very high | 95.4 | Very high | 174 Ų | 174 | 63.3 Ų | 63.3 | 81% | 0.813 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.5 | -46.6 | -163 | -69.3 | -179.8 | 176.9 | 0 | 0 | 113.8 | S5 S6 | E2-S5 PolarHBondContact O-N 2.86Å; E2-S6 PolarHBondContact O-N 3.27Å |
| 3 | K | 93.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 62.4 Ų | 62.4 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | -177.9 | -48.2 | 177.6 | -177.2 | 161 | 0 | 110.7 | S5 S6 R7 E243 D244 | K3-S5 VanDerWaalsContact C-N 3.33Å; K3-S5 PolarHBondContact O-N 3.44Å; K3-S6 PolarHBondContact O-N 3.33Å; K3-R7 WeakPolarHBondContact O-CB 3.36Å; K3-R7 PolarHBondContact O-N 2.87Å; K3-E243 PolarHBondContact NZ-O 2.91Å; K3-D244 WeakPolarHBondContact CB-OD1 3.41Å; K3-D244 VanDerWaalsContact CD-OD1 3.27Å; K3-D244 WeakPolarHBondContact CD-OD1 3.47Å; K3-D244 WeakPolarHBondContact CG-OD1 3.48Å; K3-D244 PolarHBondContact N-OD2 3.18Å |
| 4 | L | 94.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.6 | -168.9 | 63.5 | 0 | 0 | 0 | 112 | M1 R7 L8 I12 D244 L257 | M1-L4 HydrophobicContact CB-CB 4.21Å; M1-L4 HydrophobicContact CE-CB 4.35Å; M1-L4 HydrophobicContact CE-CD2 3.7Å; M1-L4 HydrophobicContact SD-CD2 4.31Å; L4-R7 PolarHBondContact O-N 3.35Å; L4-L8 HydrophobicContact CD1-CD1 3.69Å; L4-L8 HydrophobicContact CD1-CG 4.03Å; L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 HydrophobicContact CG-CD1 3.85Å; L4-L8 HydrophobicContact CG-CG 4.39Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 3.18Å; L4-I12 HydrophobicContact CD2-CG2 3.91Å; L4-I12 HydrophobicContact CG-CG1 4.34Å; L4-I12 HydrophobicContact CG-CG2 4.46Å; L4-D244 WeakPolarHBondContact CB-OD2 3.02Å; L4-D244 PolarHBondContact N-OD2 3.32Å; L4-L257 HydrophobicContact CD2-CD1 3.49Å; L4-L257 VanDerWaalsContact CD2-CD1 3.49Å; L4-L257 HydrophobicContact CD2-CD2 4.15Å; L4-L257 HydrophobicContact CD2-CG 4.3Å |
| 5 | S | 97.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | M1 E2 K3 L8 D9 N10 I12 | M1-S5 WeakPolarHBondContact O-CB 3.45Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 PolarHBondContact O-OG 3.49Å; E2-S5 PolarHBondContact O-N 2.86Å; K3-S5 VanDerWaalsContact C-N 3.33Å; K3-S5 PolarHBondContact O-N 3.44Å; S5-L8 PolarHBondContact O-N 2.83Å; S5-D9 PolarHBondContact O-N 3.08Å; S5-N10 CarbonylContact C-O 3.6Å; S5-N10 WeakPolarHBondContact CA-O 3.31Å; S5-N10 WeakPolarHBondContact CB-O 3.49Å; S5-N10 PolarHBondContact O-N 2.97Å; S5-I12 PolarHBondContact OG-N 3.05Å |
| 6 | S | 95.5 | Very high | 96 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 112 | E2 K3 L8 D9 | E2-S6 PolarHBondContact O-N 3.27Å; K3-S6 PolarHBondContact O-N 3.33Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.48Å; S6-D9 PolarHBondContact O-N 3.03Å |
| 7 | R | 94 | Very high | 96.2 | Very high | 130 Ų | 130 | 54.9 Ų | 54.9 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | -178.5 | -174.2 | 171.4 | 67.3 | -174.4 | 0.6 | 113.3 | K3 L4 D240 | K3-R7 WeakPolarHBondContact O-CB 3.36Å; K3-R7 PolarHBondContact O-N 2.87Å; L4-R7 PolarHBondContact O-N 3.35Å; R7-D240 IonicContact CZ-OD1 3.68Å; R7-D240 IonicContact NH1-OD1 3.58Å; R7-D240 PolarHBondContact NH1-OD1 3.1Å; R7-D240 IonicContact NH2-OD1 2.79Å; R7-D240 PolarHBondContact NH2-OD1 3.49Å; R7-D240 IonicContact NH2-OD2 3.01Å; R7-D240 PolarHBondContact NH2-OD2 2.84Å |
| 8 | L | 95.2 | Very high | 96.2 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 18% | 0.183 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -101.4 | 2.6 | -176.6 | -61.7 | -179.2 | 0 | 0 | 0 | 113.6 | L4 S5 S6 N10 I12 K261 I264 | L4-L8 HydrophobicContact CD1-CD1 3.69Å; L4-L8 HydrophobicContact CD1-CG 4.03Å; L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 HydrophobicContact CG-CD1 3.85Å; L4-L8 HydrophobicContact CG-CG 4.39Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 3.18Å; S5-L8 PolarHBondContact O-N 2.83Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.48Å; L8-N10 PolarHBondContact O-N 3.46Å; L8-N10 PolarHBondContact O-ND2 2.93Å; L8-I12 HydrophobicContact CD1-CD1 4.47Å; L8-I12 HydrophobicContact CD1-CG1 4.44Å; L8-K261 HydrophobicContact CD1-CG 4.12Å; L8-I264 HydrophobicContact CB-CD1 4.49Å; L8-I264 HydrophobicContact CD1-CD1 3.77Å |
| 9 | D | 97.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 40.6 | -179.2 | -164.2 | 22.8 | 0 | 0 | 0 | 112.6 | S5 S6 R270 G271 | S5-D9 PolarHBondContact O-N 3.08Å; S6-D9 PolarHBondContact O-N 3.03Å; D9-R270 HydrophobicContact CB-CG 4.43Å; D9-R270 CarbonylContact O-C 3.59Å; D9-R270 WeakPolarHBondContact O-CA 3.28Å; D9-R270 WeakPolarHBondContact OD2-CD 3.28Å; D9-R270 IonicContact OD2-NH1 3.3Å; D9-R270 PolarHBondContact OD2-NH1 3.02Å; D9-G271 PolarHBondContact O-N 3.35Å |
| 10 | N | 98 | Very high | 96.3 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -148.6 | 161.7 | -178 | -73.5 | -71.3 | 0 | 0 | 0 | 110 | S5 L8 I12 I269 R270 G271 E272 L274 | S5-N10 CarbonylContact C-O 3.6Å; S5-N10 WeakPolarHBondContact CA-O 3.31Å; S5-N10 WeakPolarHBondContact CB-O 3.49Å; S5-N10 PolarHBondContact O-N 2.97Å; L8-N10 PolarHBondContact O-N 3.46Å; L8-N10 PolarHBondContact O-ND2 2.93Å; N10-I12 HydrophobicContact CB-CD1 3.83Å; N10-I12 PolarHBondContact O-N 2.72Å; N10-I269 PolarHBondContact ND2-O 3.37Å; N10-R270 VanDerWaalsContact OD1-C 3.24Å; N10-R270 VanDerWaalsContact OD1-CA 3.31Å; N10-R270 WeakPolarHBondContact OD1-CA 3.39Å; N10-G271 PolarHBondContact OD1-N 2.94Å; N10-G271 VanDerWaalsContact OD1-N 3.14Å; N10-E272 PolarHBondContact OD1-N 3.44Å; N10-L274 HydrophobicContact CB-CD1 4.15Å |
| 11 | V | 98.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 108.1 | 170 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L13 E272 R273 L274 | V11-L13 HydrophobicContact CG1-CD2 4.24Å; V11-L13 HydrophobicContact CG1-CG 4.23Å; V11-E272 PolarHBondContact N-O 2.98Å; V11-R273 HydrophobicContact CB-CB 4.48Å; V11-R273 HydrophobicContact CB-CG 4.12Å; V11-R273 HydrophobicContact CG2-CG 4.4Å; V11-L274 PolarHBondContact O-N 2.97Å |
| 12 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.6 | -178.2 | -51 | -57.6 | 0 | 0 | 0 | 111.2 | M1 L4 S5 L8 N10 L257 M260 I264 L274 | M1-I12 HydrophobicContact CB-CB 4.43Å; M1-I12 HydrophobicContact CB-CG2 4.45Å; M1-I12 PolarHBondContact N-O 3.44Å; M1-I12 HydrophobicContact SD-CG2 4.15Å; L4-I12 HydrophobicContact CD2-CG2 3.91Å; L4-I12 HydrophobicContact CG-CG1 4.34Å; L4-I12 HydrophobicContact CG-CG2 4.46Å; S5-I12 PolarHBondContact OG-N 3.05Å; L8-I12 HydrophobicContact CD1-CD1 4.47Å; L8-I12 HydrophobicContact CD1-CG1 4.44Å; N10-I12 HydrophobicContact CB-CD1 3.83Å; N10-I12 PolarHBondContact O-N 2.72Å; I12-L257 HydrophobicContact CG2-CD1 4.45Å; I12-M260 HydrophobicContact CD1-SD 3.82Å; I12-M260 HydrophobicContact CG2-SD 3.71Å; I12-I264 HydrophobicContact CD1-CD1 3.99Å; I12-L274 HydrophobicContact CD1-CB 4.05Å; I12-L274 HydrophobicContact CD1-CD1 3.98Å; I12-L274 HydrophobicContact CD1-CG 4.43Å |
| 13 | L | 97.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.4 | -178.4 | -59.8 | 173.8 | 0 | 0 | 0 | 111.1 | V11 D141 L144 L274 A275 H276 | V11-L13 HydrophobicContact CG1-CD2 4.24Å; V11-L13 HydrophobicContact CG1-CG 4.23Å; L13-D141 HydrophobicContact CD1-CB 4.41Å; L13-D141 VanDerWaalsContact CD1-OD2 3.23Å; L13-D141 WeakPolarHBondContact CD1-OD2 3.37Å; L13-L144 HydrophobicContact CD1-CD2 3.73Å; L13-L274 PolarHBondContact N-O 3.21Å; L13-A275 HydrophobicContact CB-CB 4.28Å; L13-A275 WeakPolarHBondContact O-CA 3.14Å; L13-H276 PolarHBondContact O-CD2 2.79Å; L13-H276 PolarHBondContact O-N 2.86Å |
| 14 | V | 97.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 22% | 0.218 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.1 | -179.4 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | M1 R16 L241 V245 H276 L278 | M1-V14 HydrophobicContact CG-CG1 4.09Å; M1-V14 HydrophobicContact SD-CB 4.05Å; M1-V14 HydrophobicContact SD-CG1 4.22Å; V14-R16 HydrophobicContact CG1-CG 4.2Å; V14-R16 HydrophobicContact CG2-CG 4.27Å; V14-L241 HydrophobicContact CG2-CD2 4.28Å; V14-V245 HydrophobicContact CG1-CG1 4.34Å; V14-H276 WeakPolarHBondContact CA-O 3.34Å; V14-H276 WeakPolarHBondContact CB-NE2 3.24Å; V14-H276 WeakPolarHBondContact CG2-CE1 3.12Å; V14-L278 HydrophobicContact CG2-CB 3.68Å |
| 15 | K | 98 | Very high | 97 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 108.9 | 168.7 | -174.2 | 62.1 | 172.7 | 173.9 | 0 | 109.3 | E17 L133 E136 L137 H276 I277 L278 | K15-E17 HydrophobicContact CG-CG 4.48Å; K15-E17 PolarHBondContact O-N 3.44Å; K15-E17 VanDerWaalsContact O-N 3.14Å; K15-L133 HydrophobicContact CG-CD1 4.21Å; K15-L133 HydrophobicContact CG-CD2 3.81Å; K15-L133 HydrophobicContact CG-CG 3.87Å; K15-E136 WeakPolarHBondContact CE-OE2 3.34Å; K15-E136 IonicContact NZ-OE2 3.16Å; K15-E136 PolarHBondContact NZ-OE2 2.93Å; K15-L137 HydrophobicContact CB-CD1 4.19Å; K15-L137 HydrophobicContact CG-CD1 4.48Å; K15-H276 PolarHBondContact N-O 2.87Å; K15-I277 HydrophobicContact CB-CG1 4.32Å; K15-L278 PolarHBondContact O-N 3.05Å |
| 16 | R | 97.5 | Very high | 97 | Very high | 67 Ų | 67 | 49.5 Ų | 49.5 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 68.7 | -168.9 | -66.9 | -67 | -59.7 | -93.8 | -0.3 | 113.5 | V14 D18 R19 A247 | V14-R16 HydrophobicContact CG1-CG 4.2Å; V14-R16 HydrophobicContact CG2-CG 4.27Å; R16-D18 WeakPolarHBondContact CA-OD1 3.19Å; R16-D18 VanDerWaalsContact CB-OD1 3.32Å; R16-D18 WeakPolarHBondContact CB-OD1 3.47Å; R16-D18 WeakPolarHBondContact CD-OD1 3.45Å; R16-D18 IonicContact CZ-OD1 3.57Å; R16-D18 IonicContact CZ-OD2 3.48Å; R16-D18 VanDerWaalsContact CZ-OD2 3.28Å; R16-D18 VanDerWaalsContact NE-CG 3.32Å; R16-D18 IonicContact NE-OD1 2.79Å; R16-D18 PolarHBondContact NE-OD1 3.24Å; R16-D18 IonicContact NE-OD2 3.4Å; R16-D18 PolarHBondContact NE-OD2 2.96Å; R16-D18 VanDerWaalsContact NE-OD2 3.09Å; R16-D18 IonicContact NH2-OD1 3.51Å; R16-D18 IonicContact NH2-OD2 2.95Å; R16-D18 PolarHBondContact NH2-OD2 3.26Å; R16-D18 PolarHBondContact O-N 3.26Å; R16-R19 HydrophobicContact CB-CG 4.09Å; R16-R19 WeakPolarHBondContact O-CB 3.43Å; R16-R19 PolarHBondContact O-N 3.47Å; R16-A247 VanDerWaalsContact NH2-CB 3.31Å |
| 17 | E | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -73.2 | -14.3 | 175.4 | -67.2 | -65.5 | 121 | 0 | 0 | 113.5 | K15 R19 Q20 S24 F25 R28 L133 I277 L278 | K15-E17 HydrophobicContact CG-CG 4.48Å; K15-E17 PolarHBondContact O-N 3.44Å; K15-E17 VanDerWaalsContact O-N 3.14Å; E17-R19 PolarHBondContact O-N 3.3Å; E17-Q20 WeakPolarHBondContact O-CB 3.43Å; E17-Q20 VanDerWaalsContact O-CG 3.24Å; E17-Q20 WeakPolarHBondContact O-CG 3.32Å; E17-Q20 PolarHBondContact O-N 3.33Å; E17-Q20 VanDerWaalsContact O-N 3.17Å; E17-Q20 PolarHBondContact OE2-NE2 3.3Å; E17-S24 CarbonylContact O-C 3.57Å; E17-S24 WeakPolarHBondContact O-CA 3.07Å; E17-S24 PolarHBondContact O-N 2.68Å; E17-F25 HydrophobicContact CB-CB 3.93Å; E17-F25 HydrophobicContact CG-CB 3.91Å; E17-F25 WeakPolarHBondContact OE2-CA 3.32Å; E17-F25 WeakPolarHBondContact OE2-CB 3.23Å; E17-R28 IonicContact OE1-CZ 3.66Å; E17-R28 IonicContact OE1-NE 2.71Å; E17-R28 IonicContact OE1-NH2 2.85Å; E17-R28 PolarHBondContact OE1-NH2 2.81Å; E17-R28 IonicContact OE2-CZ 2.61Å; E17-R28 IonicContact OE2-NE 2.92Å; E17-R28 PolarHBondContact OE2-NE 2.98Å; E17-R28 IonicContact OE2-NH2 2.68Å; E17-R28 PolarHBondContact OE2-NH2 3.4Å; E17-L133 HydrophobicContact CG-CD1 3.28Å; E17-L133 HydrophobicContact CG-CG 4.24Å; E17-I277 HydrophobicContact CG-CG2 4.21Å; E17-L278 WeakPolarHBondContact CB-O 3.48Å; E17-L278 PolarHBondContact N-O 3.18Å; E17-L278 VanDerWaalsContact N-O 3.12Å |
| 18 | D | 97.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -60.5 | -18 | 166.2 | 66.8 | -55 | 0 | 0 | 0 | 113.6 | R16 H23 L278 A281 | R16-D18 WeakPolarHBondContact CA-OD1 3.19Å; R16-D18 VanDerWaalsContact CB-OD1 3.32Å; R16-D18 WeakPolarHBondContact CB-OD1 3.47Å; R16-D18 WeakPolarHBondContact CD-OD1 3.45Å; R16-D18 IonicContact CZ-OD1 3.57Å; R16-D18 IonicContact CZ-OD2 3.48Å; R16-D18 VanDerWaalsContact CZ-OD2 3.28Å; R16-D18 VanDerWaalsContact NE-CG 3.32Å; R16-D18 IonicContact NE-OD1 2.79Å; R16-D18 PolarHBondContact NE-OD1 3.24Å; R16-D18 IonicContact NE-OD2 3.4Å; R16-D18 PolarHBondContact NE-OD2 2.96Å; R16-D18 VanDerWaalsContact NE-OD2 3.09Å; R16-D18 IonicContact NH2-OD1 3.51Å; R16-D18 IonicContact NH2-OD2 2.95Å; R16-D18 PolarHBondContact NH2-OD2 3.26Å; R16-D18 PolarHBondContact O-N 3.26Å; D18-H23 WeakPolarHBondContact O-CA 3.25Å; D18-H23 PolarHBondContact O-ND1 2.96Å; D18-L278 HydrophobicContact CB-CD2 3.99Å; D18-L278 HydrophobicContact CB-CG 4.01Å; D18-L278 PolarHBondContact N-O 3.18Å; D18-L278 VanDerWaalsContact OD1-CD2 3.28Å; D18-L278 WeakPolarHBondContact OD1-CD2 3.42Å; D18-A281 HydrophobicContact CB-CB 3.65Å |
| 19 | R | 96.9 | Very high | 97.4 | Very high | 194 Ų | 194 | 38.9 Ų | 38.9 | 73% | 0.732 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -88.8 | -0.2 | 177.1 | -64.5 | -171.7 | 67.8 | 172.8 | 1.7 | 114.1 | R16 E17 | R16-R19 HydrophobicContact CB-CG 4.09Å; R16-R19 WeakPolarHBondContact O-CB 3.43Å; R16-R19 PolarHBondContact O-N 3.47Å; E17-R19 PolarHBondContact O-N 3.3Å |
| 20 | Q | 97.2 | Very high | 97.4 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -64.1 | 156.9 | 170.4 | -65.2 | -67.4 | -3.4 | 0 | 0 | 110.8 | E17 V22 H23 S24 L27 | E17-Q20 WeakPolarHBondContact O-CB 3.43Å; E17-Q20 VanDerWaalsContact O-CG 3.24Å; E17-Q20 WeakPolarHBondContact O-CG 3.32Å; E17-Q20 PolarHBondContact O-N 3.33Å; E17-Q20 VanDerWaalsContact O-N 3.17Å; E17-Q20 PolarHBondContact OE2-NE2 3.3Å; Q20-V22 PolarHBondContact O-N 2.73Å; Q20-H23 WeakPolarHBondContact O-CA 3.49Å; Q20-H23 PolarHBondContact O-N 3.16Å; Q20-S24 WeakPolarHBondContact CB-O 3.12Å; Q20-L27 HydrophobicContact CB-CD1 4.38Å; Q20-L27 HydrophobicContact CB-CD2 3.59Å; Q20-L27 HydrophobicContact CG-CD2 3.68Å |
| 21 | P | 96 | Very high | 97.4 | Very high | 64 Ų | 64 | 39 Ų | 39 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.6 | -178.9 | -30.5 | 35 | 0 | 0 | 0 | 115.7 | L27 F60 | P21-L27 HydrophobicContact CG-CD1 4.19Å; P21-F60 HydrophobicContact CB-CD2 4.18Å; P21-F60 HydrophobicContact CB-CE1 4.39Å; P21-F60 HydrophobicContact CB-CE2 3.59Å; P21-F60 HydrophobicContact CB-CZ 3.71Å; P21-F60 HydrophobicContact CG-CE1 4.42Å; P21-F60 HydrophobicContact CG-CE2 4.23Å; P21-F60 HydrophobicContact CG-CZ 3.84Å |
| 22 | V | 95.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 17.5 | 178 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | Q20 S24 L27 Q56 F60 F88 N282 | Q20-V22 PolarHBondContact O-N 2.73Å; V22-S24 PolarHBondContact O-N 2.73Å; V22-S24 VanDerWaalsContact O-N 3.07Å; V22-L27 HydrophobicContact CG2-CB 3.81Å; V22-L27 HydrophobicContact CG2-CD1 4.44Å; V22-L27 HydrophobicContact CG2-CD2 4.03Å; V22-L27 HydrophobicContact CG2-CG 4.3Å; V22-Q56 HydrophobicContact CB-CB 3.95Å; V22-Q56 HydrophobicContact CG1-CB 4.14Å; V22-Q56 PolarHBondContact O-OE1 2.8Å; V22-F60 HydrophobicContact CG1-CB 3.48Å; V22-F60 VanDerWaalsContact CG1-CB 3.48Å; V22-F60 HydrophobicContact CG1-CD2 4.14Å; V22-F60 HydrophobicContact CG1-CG 3.8Å; V22-F88 HydrophobicContact CB-CE2 4.37Å; V22-F88 HydrophobicContact CB-CZ 4.41Å; V22-F88 HydrophobicContact CG1-CD2 4.32Å; V22-F88 HydrophobicContact CG1-CE1 4.23Å; V22-F88 HydrophobicContact CG1-CE2 3.89Å; V22-F88 HydrophobicContact CG1-CZ 3.84Å; V22-N282 PolarHBondContact O-ND2 2.91Å |
| 23 | H | 96.1 | Very high | 97.3 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 43% | 0.431 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 54.8 | 26.9 | 179.6 | -53.4 | -57.9 | 0 | 0 | 0 | 115.5 | D18 Q20 G280 A281 | D18-H23 WeakPolarHBondContact O-CA 3.25Å; D18-H23 PolarHBondContact O-ND1 2.96Å; Q20-H23 WeakPolarHBondContact O-CA 3.49Å; Q20-H23 PolarHBondContact O-N 3.16Å; H23-G280 CarbonylContact O-C 3.53Å; H23-G280 VanDerWaalsContact O-CA 3.22Å; H23-G280 WeakPolarHBondContact O-CA 3.41Å; H23-A281 HydrophobicContact CB-CB 4.48Å; H23-A281 PolarHBondContact O-N 2.61Å |
| 24 | S | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -162.3 | 165.3 | 175.3 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | E17 Q20 V22 K26 L27 N53 S279 | E17-S24 CarbonylContact O-C 3.57Å; E17-S24 WeakPolarHBondContact O-CA 3.07Å; E17-S24 PolarHBondContact O-N 2.68Å; Q20-S24 WeakPolarHBondContact CB-O 3.12Å; V22-S24 PolarHBondContact O-N 2.73Å; V22-S24 VanDerWaalsContact O-N 3.07Å; S24-K26 PolarHBondContact O-N 3.31Å; S24-L27 WeakPolarHBondContact O-CD2 3.31Å; S24-N53 WeakPolarHBondContact OG-CB 3.32Å; S24-S279 VanDerWaalsContact CA-O 3.27Å; S24-S279 WeakPolarHBondContact CA-O 3.4Å; S24-S279 WeakPolarHBondContact CB-O 3.36Å |
| 25 | F | 97.9 | Very high | 97.3 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.3 | 177.8 | 73.9 | -86.3 | 0 | 0 | 0 | 114.4 | E17 L27 R28 Q130 L156 S279 | E17-F25 HydrophobicContact CB-CB 3.93Å; E17-F25 HydrophobicContact CG-CB 3.91Å; E17-F25 WeakPolarHBondContact OE2-CA 3.32Å; E17-F25 WeakPolarHBondContact OE2-CB 3.23Å; F25-L27 PolarHBondContact O-N 2.85Å; F25-L27 VanDerWaalsContact O-N 3.09Å; F25-R28 WeakPolarHBondContact O-CB 3.24Å; F25-R28 WeakPolarHBondContact O-CG 3.45Å; F25-R28 PolarHBondContact O-N 2.87Å; F25-Q130 HydrophobicContact CD2-CG 4.19Å; F25-Q130 HydrophobicContact CE2-CG 4.07Å; F25-Q130 PolarHBondContact O-OE1 2.73Å; F25-L156 HydrophobicContact CD1-CD2 4.05Å; F25-L156 HydrophobicContact CD2-CB 4.36Å; F25-L156 HydrophobicContact CD2-CD1 3.94Å; F25-L156 HydrophobicContact CD2-CD2 4.37Å; F25-L156 HydrophobicContact CD2-CG 4.45Å; F25-L156 HydrophobicContact CE1-CD2 3.89Å; F25-L156 HydrophobicContact CE2-CB 3.73Å; F25-L156 HydrophobicContact CE2-CD1 4.18Å; F25-L156 HydrophobicContact CE2-CD2 4.21Å; F25-L156 HydrophobicContact CE2-CG 4.25Å; F25-L156 HydrophobicContact CG-CD1 4.3Å; F25-L156 HydrophobicContact CG-CD2 4.3Å; F25-L156 HydrophobicContact CZ-CB 3.88Å; F25-L156 HydrophobicContact CZ-CD2 3.96Å; F25-L156 HydrophobicContact CZ-CG 4.4Å; F25-S279 WeakPolarHBondContact CD1-O 3.46Å; F25-S279 PolarHBondContact N-O 3.46Å |
| 26 | K | 97.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -24.7 | -165.3 | -78.8 | -74.1 | -176.1 | 167 | 0 | 114.5 | S24 R28 A30 N53 H54 P120 | S24-K26 PolarHBondContact O-N 3.31Å; K26-R28 PolarHBondContact O-N 2.8Å; K26-A30 WeakPolarHBondContact O-CB 3.48Å; K26-A30 PolarHBondContact O-N 3.14Å; K26-N53 HydrophobicContact CB-CB 4.23Å; K26-N53 WeakPolarHBondContact CB-O 3.24Å; K26-N53 HydrophobicContact CG-CB 3.73Å; K26-H54 HydrophobicContact CD-CB 4.33Å; K26-P120 PolarHBondContact NZ-O 2.85Å |
| 27 | L | 96.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -29 | 174 | 78.9 | 171.8 | 0 | 0 | 0 | 113.4 | Q20 P21 V22 S24 F25 Y31 F60 | Q20-L27 HydrophobicContact CB-CD1 4.38Å; Q20-L27 HydrophobicContact CB-CD2 3.59Å; Q20-L27 HydrophobicContact CG-CD2 3.68Å; P21-L27 HydrophobicContact CG-CD1 4.19Å; V22-L27 HydrophobicContact CG2-CB 3.81Å; V22-L27 HydrophobicContact CG2-CD1 4.44Å; V22-L27 HydrophobicContact CG2-CD2 4.03Å; V22-L27 HydrophobicContact CG2-CG 4.3Å; S24-L27 WeakPolarHBondContact O-CD2 3.31Å; F25-L27 PolarHBondContact O-N 2.85Å; F25-L27 VanDerWaalsContact O-N 3.09Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 2.82Å; L27-F60 HydrophobicContact CB-CD1 4.46Å; L27-F60 HydrophobicContact CD1-CD1 4.12Å; L27-F60 HydrophobicContact CD1-CE1 4Å |
| 28 | R | 98.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -55.1 | -174.1 | -61.3 | 174.3 | 173.3 | -87.3 | 4.1 | 111.3 | E17 F25 K26 A32 G129 T132 E136 | E17-R28 IonicContact OE1-CZ 3.66Å; E17-R28 IonicContact OE1-NE 2.71Å; E17-R28 IonicContact OE1-NH2 2.85Å; E17-R28 PolarHBondContact OE1-NH2 2.81Å; E17-R28 IonicContact OE2-CZ 2.61Å; E17-R28 IonicContact OE2-NE 2.92Å; E17-R28 PolarHBondContact OE2-NE 2.98Å; E17-R28 IonicContact OE2-NH2 2.68Å; E17-R28 PolarHBondContact OE2-NH2 3.4Å; F25-R28 WeakPolarHBondContact O-CB 3.24Å; F25-R28 WeakPolarHBondContact O-CG 3.45Å; F25-R28 PolarHBondContact O-N 2.87Å; K26-R28 PolarHBondContact O-N 2.8Å; R28-A32 VanDerWaalsContact O-CB 3.32Å; R28-A32 WeakPolarHBondContact O-CB 3.25Å; R28-A32 PolarHBondContact O-N 2.73Å; R28-G129 WeakPolarHBondContact CB-O 3.35Å; R28-T132 PolarHBondContact NH1-OG1 2.93Å; R28-E136 IonicContact CZ-OE1 2.65Å; R28-E136 VanDerWaalsContact CZ-OE1 3.27Å; R28-E136 IonicContact CZ-OE2 2.77Å; R28-E136 IonicContact NH1-OE1 2.75Å; R28-E136 PolarHBondContact NH1-OE1 3.3Å; R28-E136 IonicContact NH1-OE2 3.88Å; R28-E136 IonicContact NH2-OE1 3.32Å; R28-E136 PolarHBondContact NH2-OE1 2.98Å; R28-E136 IonicContact NH2-OE2 3.69Å; R28-E136 PolarHBondContact NH2-OE2 3.36Å |
| 29 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M33 V126 Q130 | G29-M33 WeakPolarHBondContact O-CB 3.16Å; G29-M33 PolarHBondContact O-N 3.41Å; G29-M33 VanDerWaalsContact O-N 3.08Å; G29-V126 WeakPolarHBondContact CA-O 3.33Å; G29-Q130 VanDerWaalsContact CA-NE2 3.32Å |
| 30 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K26 A32 M33 M34 V58 | K26-A30 WeakPolarHBondContact O-CB 3.48Å; K26-A30 PolarHBondContact O-N 3.14Å; A30-A32 PolarHBondContact O-N 3.23Å; A30-M33 PolarHBondContact O-N 3.06Å; A30-M34 WeakPolarHBondContact O-CB 3.21Å; A30-M34 WeakPolarHBondContact O-CG 3.35Å; A30-M34 PolarHBondContact O-N 2.87Å; A30-V58 HydrophobicContact CB-CG2 4.04Å |
| 31 | Y | 98.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 179 | -169.7 | -93.4 | 0 | 0 | 0 | 112.1 | L27 M33 M34 A35 S61 R64 L65 | L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 2.82Å; Y31-M33 VanDerWaalsContact C-N 3.34Å; Y31-M33 PolarHBondContact O-N 3.46Å; Y31-M34 PolarHBondContact O-N 3.45Å; Y31-A35 HydrophobicContact CD1-CB 4.45Å; Y31-A35 HydrophobicContact CE1-CB 4.27Å; Y31-A35 WeakPolarHBondContact O-CB 3.32Å; Y31-A35 PolarHBondContact O-N 3.27Å; Y31-S61 WeakPolarHBondContact CA-OG 3.48Å; Y31-S61 PolarHBondContact N-OG 3.47Å; Y31-R64 HydrophobicContact CE2-CB 4.16Å; Y31-R64 HydrophobicContact CE2-CG 3.85Å; Y31-L65 HydrophobicContact CD2-CD1 4.2Å; Y31-L65 HydrophobicContact CD2-CG 4.24Å; Y31-L65 HydrophobicContact CE2-CD1 4.1Å; Y31-L65 HydrophobicContact CE2-CD2 3.74Å; Y31-L65 HydrophobicContact CE2-CG 3.7Å |
| 32 | A | 97.7 | Very high | 96.9 | Very high | 25 Ų | 25 | 44 Ų | 44 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R28 A30 | R28-A32 VanDerWaalsContact O-CB 3.32Å; R28-A32 WeakPolarHBondContact O-CB 3.25Å; R28-A32 PolarHBondContact O-N 2.73Å; A30-A32 PolarHBondContact O-N 3.23Å |
| 33 | M | 97.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.9 | -46.9 | 175.6 | -175 | -84.1 | 179 | 0 | 0 | 111.3 | G29 A30 Y31 A35 G36 L37 T116 V118 M125 V126 | G29-M33 WeakPolarHBondContact O-CB 3.16Å; G29-M33 PolarHBondContact O-N 3.41Å; G29-M33 VanDerWaalsContact O-N 3.08Å; A30-M33 PolarHBondContact O-N 3.06Å; Y31-M33 VanDerWaalsContact C-N 3.34Å; Y31-M33 PolarHBondContact O-N 3.46Å; M33-A35 PolarHBondContact O-N 2.87Å; M33-G36 PolarHBondContact O-N 2.93Å; M33-L37 HydrophobicContact CE-CD2 4.27Å; M33-L37 HydrophobicContact SD-CD2 4.39Å; M33-T116 HydrophobicContact CE-CG2 3.95Å; M33-V118 HydrophobicContact SD-CG1 4.25Å; M33-V118 HydrophobicContact SD-CG2 4.01Å; M33-M125 HydrophobicContact CB-CB 3.98Å; M33-M125 HydrophobicContact CG-CB 4.31Å; M33-V126 HydrophobicContact CB-CG2 3.85Å; M33-V126 HydrophobicContact CG-CG2 4.17Å |
| 34 | M | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -32.1 | -176.8 | -68.3 | 177.9 | 62.5 | 0 | 0 | 113.6 | A30 Y31 G36 L37 V46 V58 S62 L65 V67 V118 | A30-M34 WeakPolarHBondContact O-CB 3.21Å; A30-M34 WeakPolarHBondContact O-CG 3.35Å; A30-M34 PolarHBondContact O-N 2.87Å; Y31-M34 PolarHBondContact O-N 3.45Å; M34-G36 PolarHBondContact O-N 2.98Å; M34-L37 HydrophobicContact CB-CD1 4.22Å; M34-L37 HydrophobicContact CG-CD1 4.43Å; M34-L37 WeakPolarHBondContact O-CB 3.32Å; M34-L37 WeakPolarHBondContact O-CD1 3.04Å; M34-L37 VanDerWaalsContact O-CG 3.22Å; M34-L37 WeakPolarHBondContact O-CG 3.05Å; M34-L37 PolarHBondContact O-N 3.45Å; M34-V46 HydrophobicContact CE-CG1 4.13Å; M34-V46 HydrophobicContact CE-CG2 3.66Å; M34-V46 HydrophobicContact CG-CG1 4.45Å; M34-V46 HydrophobicContact SD-CG2 4.34Å; M34-V58 HydrophobicContact SD-CG1 4.08Å; M34-S62 VanDerWaalsContact CE-CA 3.46Å; M34-L65 HydrophobicContact CB-CD1 3.51Å; M34-L65 HydrophobicContact CE-CD1 4.47Å; M34-V67 HydrophobicContact CE-CB 4.41Å; M34-V118 HydrophobicContact CG-CG2 4.1Å; M34-V118 HydrophobicContact SD-CG2 4.45Å |
| 35 | A | 97.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y31 M33 L65 | Y31-A35 HydrophobicContact CD1-CB 4.45Å; Y31-A35 HydrophobicContact CE1-CB 4.27Å; Y31-A35 WeakPolarHBondContact O-CB 3.32Å; Y31-A35 PolarHBondContact O-N 3.27Å; M33-A35 PolarHBondContact O-N 2.87Å; A35-L65 HydrophobicContact CB-CD1 4.48Å; A35-L65 HydrophobicContact CB-CD2 4.45Å |
| 36 | G | 95.6 | Very high | 97 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | M33 M34 | M33-G36 PolarHBondContact O-N 2.93Å; M34-G36 PolarHBondContact O-N 2.98Å |
| 37 | L | 96.6 | Very high | 97 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | -67.7 | 144 | 179.6 | -65 | 173.2 | 0 | 0 | 0 | 111.8 | M33 M34 Q41 K42 V46 T116 | M33-L37 HydrophobicContact CE-CD2 4.27Å; M33-L37 HydrophobicContact SD-CD2 4.39Å; M34-L37 HydrophobicContact CB-CD1 4.22Å; M34-L37 HydrophobicContact CG-CD1 4.43Å; M34-L37 WeakPolarHBondContact O-CB 3.32Å; M34-L37 WeakPolarHBondContact O-CD1 3.04Å; M34-L37 VanDerWaalsContact O-CG 3.22Å; M34-L37 WeakPolarHBondContact O-CG 3.05Å; M34-L37 PolarHBondContact O-N 3.45Å; L37-Q41 HydrophobicContact CB-CB 4.03Å; L37-Q41 HydrophobicContact CD2-CB 4.04Å; L37-Q41 HydrophobicContact CG-CB 4.48Å; L37-K42 HydrophobicContact CB-CG 3.88Å; L37-K42 VanDerWaalsContact O-CE 3.27Å; L37-K42 WeakPolarHBondContact O-CE 3.39Å; L37-V46 HydrophobicContact CD1-CG1 3.54Å; L37-T116 HydrophobicContact CD2-CG2 3.69Å | ||
| 38 | T | 96.9 | Very high | 97 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | trans | -69.1 | 161.3 | 169.2 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | E40 Q41 K42 | T38-E40 PolarHBondContact O-N 2.62Å; T38-Q41 PolarHBondContact O-N 2.82Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.43Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.19Å; T38-K42 WeakPolarHBondContact O-CG 3.5Å; T38-K42 PolarHBondContact O-N 3.4Å | ||
| 39 | E | 96.1 | Very high | 96.9 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 64% | 0.64 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.3 | -34.6 | 176.6 | -63.7 | -55 | 119.6 | 0 | 0 | 112.4 | K42 A43 | E39-K42 PolarHBondContact O-N 3.24Å; E39-K42 IonicContact OE1-NZ 3.62Å; E39-K42 PolarHBondContact OE1-NZ 3.12Å; E39-A43 WeakPolarHBondContact O-CB 3.38Å; E39-A43 PolarHBondContact O-N 3.2Å |
| 40 | E | 95.9 | Very high | 96.6 | Very high | 143 Ų | 143 | 44.1 Ų | 44.1 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 173.7 | -176.8 | 178.5 | -171.3 | 0 | 0 | 111.8 | T38 A43 H44 | T38-E40 PolarHBondContact O-N 2.62Å; E40-A43 PolarHBondContact O-N 2.93Å; E40-H44 PolarHBondContact O-N 3.37Å; E40-H44 VanDerWaalsContact O-N 3.16Å; E40-H44 PolarHBondContact O-ND1 2.93Å |
| 41 | Q | 96.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.9 | -72.5 | 172.2 | -39.2 | 0 | 0 | 111.7 | L37 T38 A43 H44 G45 T116 | L37-Q41 HydrophobicContact CB-CB 4.03Å; L37-Q41 HydrophobicContact CD2-CB 4.04Å; L37-Q41 HydrophobicContact CG-CB 4.48Å; T38-Q41 PolarHBondContact O-N 2.82Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.43Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.19Å; Q41-A43 VanDerWaalsContact C-N 3.31Å; Q41-A43 PolarHBondContact O-N 3.41Å; Q41-H44 PolarHBondContact O-N 2.94Å; Q41-G45 PolarHBondContact O-N 3.35Å; Q41-T116 WeakPolarHBondContact CG-OG1 3.45Å |
| 42 | K | 96.1 | Very high | 95.3 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 27% | 0.265 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.2 | -69.2 | 177.8 | -170 | 162.7 | 0 | 112 | L37 T38 E39 G45 V67 | L37-K42 HydrophobicContact CB-CG 3.88Å; L37-K42 VanDerWaalsContact O-CE 3.27Å; L37-K42 WeakPolarHBondContact O-CE 3.39Å; T38-K42 WeakPolarHBondContact O-CG 3.5Å; T38-K42 PolarHBondContact O-N 3.4Å; E39-K42 PolarHBondContact O-N 3.24Å; E39-K42 IonicContact OE1-NZ 3.62Å; E39-K42 PolarHBondContact OE1-NZ 3.12Å; K42-G45 PolarHBondContact O-N 3.42Å; K42-V67 HydrophobicContact CB-CG2 4.04Å; K42-V67 HydrophobicContact CD-CG2 4.3Å; K42-V67 HydrophobicContact CG-CG2 3.79Å |
| 43 | A | 95.3 | Very high | 95.2 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 71% | 0.711 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E39 E40 Q41 | E39-A43 WeakPolarHBondContact O-CB 3.38Å; E39-A43 PolarHBondContact O-N 3.2Å; E40-A43 PolarHBondContact O-N 2.93Å; Q41-A43 VanDerWaalsContact C-N 3.31Å; Q41-A43 PolarHBondContact O-N 3.41Å |
| 44 | H | 95.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.1 | -30 | 173.7 | -68.9 | 91.7 | 0 | 0 | 0 | 112.4 | E40 Q41 G114 F115 | E40-H44 PolarHBondContact O-N 3.37Å; E40-H44 VanDerWaalsContact O-N 3.16Å; E40-H44 PolarHBondContact O-ND1 2.93Å; Q41-H44 PolarHBondContact O-N 2.94Å; H44-G114 WeakPolarHBondContact CB-O 3.18Å; H44-F115 WeakPolarHBondContact O-CD1 3.27Å; H44-F115 WeakPolarHBondContact O-CE1 3.21Å |
| 45 | G | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | 90.5 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q41 K42 K68 F115 T116 | Q41-G45 PolarHBondContact O-N 3.35Å; K42-G45 PolarHBondContact O-N 3.42Å; G45-K68 CarbonylContact C-O 3.51Å; G45-K68 VanDerWaalsContact CA-O 3.26Å; G45-K68 WeakPolarHBondContact CA-O 3.31Å; G45-F115 WeakPolarHBondContact O-CA 3.42Å; G45-T116 PolarHBondContact O-N 2.87Å | ||
| 46 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.7 | -177.7 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | M34 L37 V58 V67 K68 A69 L70 T116 V118 | M34-V46 HydrophobicContact CE-CG1 4.13Å; M34-V46 HydrophobicContact CE-CG2 3.66Å; M34-V46 HydrophobicContact CG-CG1 4.45Å; M34-V46 HydrophobicContact SD-CG2 4.34Å; L37-V46 HydrophobicContact CD1-CG1 3.54Å; V46-V58 HydrophobicContact CG2-CG1 4.08Å; V46-V67 HydrophobicContact CG1-CG1 4.13Å; V46-V67 HydrophobicContact CG2-CG1 4.47Å; V46-K68 PolarHBondContact N-O 2.72Å; V46-A69 HydrophobicContact CG2-CB 3.59Å; V46-A69 WeakPolarHBondContact O-CA 3.39Å; V46-L70 PolarHBondContact O-N 2.88Å; V46-T116 CarbonylContact C-O 3.55Å; V46-T116 VanDerWaalsContact CA-O 3.26Å; V46-T116 WeakPolarHBondContact CA-O 3.38Å; V46-V118 HydrophobicContact CB-CG2 3.68Å; V46-V118 HydrophobicContact CG1-CG2 3.83Å; V46-V118 HydrophobicContact CG2-CG2 4.29Å |
| 47 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.6 | 175.2 | -167.5 | 168.8 | 0 | 0 | 0 | 111.6 | L70 V72 A106 L109 F115 T116 W117 V118 | I47-L70 VanDerWaalsContact CA-O 3.27Å; I47-L70 WeakPolarHBondContact CA-O 3.33Å; I47-L70 HydrophobicContact CB-CB 4.48Å; I47-L70 HydrophobicContact CD1-CB 4.4Å; I47-L70 HydrophobicContact CD1-CD2 3.84Å; I47-L70 HydrophobicContact CD1-CG 4.25Å; I47-L70 HydrophobicContact CG1-CB 4.12Å; I47-L70 HydrophobicContact CG1-CD2 4.44Å; I47-L70 HydrophobicContact CG1-CG 4.33Å; I47-L70 WeakPolarHBondContact CG1-O 3.32Å; I47-V72 HydrophobicContact CD1-CG2 4.17Å; I47-V72 HydrophobicContact CG1-CG2 4.3Å; I47-A106 HydrophobicContact CD1-CB 4.21Å; I47-A106 WeakPolarHBondContact CD1-O 3.32Å; I47-A106 HydrophobicContact CG1-CB 4.22Å; I47-L109 HydrophobicContact CD1-CB 3.61Å; I47-L109 HydrophobicContact CD1-CD1 4.26Å; I47-F115 HydrophobicContact CB-CB 3.69Å; I47-F115 HydrophobicContact CB-CD2 4.44Å; I47-F115 HydrophobicContact CB-CG 4.1Å; I47-F115 HydrophobicContact CD1-CD2 4.23Å; I47-F115 HydrophobicContact CG2-CB 3.44Å; I47-F115 VanDerWaalsContact CG2-CB 3.44Å; I47-F115 HydrophobicContact CG2-CG 4.34Å; I47-T116 PolarHBondContact N-O 3.41Å; I47-W117 HydrophobicContact CG2-CE3 4.31Å; I47-W117 WeakPolarHBondContact O-CA 3.33Å; I47-V118 PolarHBondContact O-N 2.92Å |
| 48 | T | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | H54 V58 L70 I71 V72 V118 | T48-H54 PolarHBondContact OG1-CD2 2.67Å; T48-H54 PolarHBondContact OG1-NE2 3.28Å; T48-H54 VanDerWaalsContact OG1-NE2 3.13Å; T48-V58 HydrophobicContact CG2-CB 4.12Å; T48-V58 HydrophobicContact CG2-CG1 4.14Å; T48-V58 HydrophobicContact CG2-CG2 3.96Å; T48-L70 PolarHBondContact N-O 3.2Å; T48-L70 VanDerWaalsContact N-O 3.12Å; T48-I71 HydrophobicContact CG2-CD1 3.52Å; T48-V72 PolarHBondContact O-N 2.92Å; T48-V118 PolarHBondContact OG1-O 3Å |
| 49 | A | 95.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V72 F99 K103 A106 W117 | A49-V72 VanDerWaalsContact CA-O 3.27Å; A49-V72 WeakPolarHBondContact CA-O 3.34Å; A49-V72 HydrophobicContact CB-CB 4.46Å; A49-F99 HydrophobicContact CB-CE2 4.3Å; A49-F99 WeakPolarHBondContact O-CE2 3.42Å; A49-K103 VanDerWaalsContact CB-CA 3.48Å; A49-K103 HydrophobicContact CB-CB 3.95Å; A49-K103 HydrophobicContact CB-CG 4.47Å; A49-A106 HydrophobicContact CB-CB 3.89Å; A49-W117 HydrophobicContact CB-CH2 4.24Å |
| 50 | S | 91.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | trans | -175.5 | 141.6 | 175.9 | 161.8 | 0 | 0 | 0 | 0 | 110.4 | G52 A55 V72 M73 | S50-G52 PolarHBondContact OG-N 3.4Å; S50-G52 VanDerWaalsContact OG-N 3.13Å; S50-A55 VanDerWaalsContact O-CB 3.24Å; S50-A55 WeakPolarHBondContact O-CB 3.26Å; S50-A55 WeakPolarHBondContact OG-CB 3.44Å; S50-A55 PolarHBondContact OG-N 2.79Å; S50-A55 VanDerWaalsContact OG-N 3.11Å; S50-V72 PolarHBondContact N-O 2.71Å; S50-V72 VanDerWaalsContact N-O 3.12Å; S50-M73 WeakPolarHBondContact O-CG 3.42Å | ||
| 51 | A | 80.7 | Confident | 95.4 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 21% | 0.207 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -106.6 | 10.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T77 K81 | A51-T77 HydrophobicContact CB-CG2 3.77Å; A51-K81 VanDerWaalsContact O-CD 3.27Å; A51-K81 WeakPolarHBondContact O-CD 3.33Å |
| 52 | G | 88.4 | Confident | 95.5 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 24% | 0.237 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -139.3 | -142.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S50 H54 A55 Q56 | S50-G52 PolarHBondContact OG-N 3.4Å; S50-G52 VanDerWaalsContact OG-N 3.13Å; G52-H54 VanDerWaalsContact C-N 3.28Å; G52-H54 PolarHBondContact O-N 3.03Å; G52-H54 VanDerWaalsContact O-N 3.13Å; G52-A55 WeakPolarHBondContact O-CB 3.49Å; G52-A55 PolarHBondContact O-N 2.93Å; G52-Q56 PolarHBondContact O-N 3.31Å |
| 53 | N | 94.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 19 Ų | 19 | 11% | 0.107 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.1 | -38.9 | -171.5 | -67 | -15.8 | 0 | 0 | 0 | 114.8 | S24 K26 A55 G57 E250 N282 | S24-N53 WeakPolarHBondContact OG-CB 3.32Å; K26-N53 HydrophobicContact CB-CB 4.23Å; K26-N53 WeakPolarHBondContact CB-O 3.24Å; K26-N53 HydrophobicContact CG-CB 3.73Å; N53-A55 VanDerWaalsContact C-N 3.34Å; N53-A55 PolarHBondContact O-N 3Å; N53-G57 PolarHBondContact O-N 3.26Å; N53-E250 PolarHBondContact ND2-OE1 3.28Å; N53-E250 PolarHBondContact ND2-OE2 2.92Å; N53-N282 VanDerWaalsContact OD1-CB 3.32Å; N53-N282 WeakPolarHBondContact OD1-CB 3.22Å; N53-N282 PolarHBondContact OD1-ND2 3.44Å |
| 54 | H | 96 | Very high | 95.6 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 177.8 | -175.5 | 58 | 0 | 0 | 0 | 112.2 | K26 T48 G52 G57 V58 V118 P119 P120 | K26-H54 HydrophobicContact CD-CB 4.33Å; T48-H54 PolarHBondContact OG1-CD2 2.67Å; T48-H54 PolarHBondContact OG1-NE2 3.28Å; T48-H54 VanDerWaalsContact OG1-NE2 3.13Å; G52-H54 VanDerWaalsContact C-N 3.28Å; G52-H54 PolarHBondContact O-N 3.03Å; G52-H54 VanDerWaalsContact O-N 3.13Å; H54-G57 PolarHBondContact O-N 2.81Å; H54-V58 WeakPolarHBondContact O-CG2 3.49Å; H54-V58 PolarHBondContact O-N 3.09Å; H54-V118 PolarHBondContact NE2-O 3.14Å; H54-P119 PolarHBondContact CE1-O 2.96Å; H54-P120 HydrophobicContact CB-CB 4.26Å; H54-P120 VanDerWaalsContact CE1-CA 3.46Å; H54-P120 WeakPolarHBondContact CE1-CA 3.36Å |
| 55 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S50 G52 N53 G57 V58 A59 I71 M73 V85 | S50-A55 VanDerWaalsContact O-CB 3.24Å; S50-A55 WeakPolarHBondContact O-CB 3.26Å; S50-A55 WeakPolarHBondContact OG-CB 3.44Å; S50-A55 PolarHBondContact OG-N 2.79Å; S50-A55 VanDerWaalsContact OG-N 3.11Å; G52-A55 WeakPolarHBondContact O-CB 3.49Å; G52-A55 PolarHBondContact O-N 2.93Å; N53-A55 VanDerWaalsContact C-N 3.34Å; N53-A55 PolarHBondContact O-N 3Å; A55-G57 VanDerWaalsContact C-N 3.34Å; A55-V58 PolarHBondContact O-N 2.95Å; A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 3.46Å; A55-I71 HydrophobicContact CB-CG2 3.58Å; A55-M73 HydrophobicContact CB-CE 4.04Å; A55-V85 HydrophobicContact CB-CG2 3.78Å |
| 56 | Q | 96.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 174 | -61.4 | -176.1 | 22.7 | 0 | 0 | 111.2 | V22 G52 V58 A59 F60 A84 V85 F88 N282 | V22-Q56 HydrophobicContact CB-CB 3.95Å; V22-Q56 HydrophobicContact CG1-CB 4.14Å; V22-Q56 PolarHBondContact O-OE1 2.8Å; G52-Q56 PolarHBondContact O-N 3.31Å; Q56-V58 PolarHBondContact O-N 3.41Å; Q56-A59 PolarHBondContact O-N 3.37Å; Q56-F60 VanDerWaalsContact O-CB 3.27Å; Q56-F60 WeakPolarHBondContact O-CB 3.25Å; Q56-F60 PolarHBondContact O-N 3.28Å; Q56-A84 HydrophobicContact CG-CB 4.48Å; Q56-V85 HydrophobicContact CG-CG2 3.99Å; Q56-F88 HydrophobicContact CB-CD2 4.07Å; Q56-F88 HydrophobicContact CB-CE2 4.06Å; Q56-F88 HydrophobicContact CG-CD2 4.32Å; Q56-F88 HydrophobicContact CG-CE2 4.24Å; Q56-N282 PolarHBondContact OE1-ND2 3.47Å |
| 57 | G | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N53 H54 A55 S61 | N53-G57 PolarHBondContact O-N 3.26Å; H54-G57 PolarHBondContact O-N 2.81Å; A55-G57 VanDerWaalsContact C-N 3.34Å; G57-S61 VanDerWaalsContact O-CB 3.26Å; G57-S61 WeakPolarHBondContact O-CB 3.42Å; G57-S61 PolarHBondContact O-N 3.04Å; G57-S61 VanDerWaalsContact O-N 3.08Å; G57-S61 PolarHBondContact O-OG 3.12Å |
| 58 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.9 | -46.8 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | A30 M34 V46 T48 H54 A55 Q56 F60 S61 S62 A69 I71 V118 | A30-V58 HydrophobicContact CB-CG2 4.04Å; M34-V58 HydrophobicContact SD-CG1 4.08Å; V46-V58 HydrophobicContact CG2-CG1 4.08Å; T48-V58 HydrophobicContact CG2-CB 4.12Å; T48-V58 HydrophobicContact CG2-CG1 4.14Å; T48-V58 HydrophobicContact CG2-CG2 3.96Å; H54-V58 WeakPolarHBondContact O-CG2 3.49Å; H54-V58 PolarHBondContact O-N 3.09Å; A55-V58 PolarHBondContact O-N 2.95Å; Q56-V58 PolarHBondContact O-N 3.41Å; V58-F60 PolarHBondContact O-N 3.49Å; V58-S61 PolarHBondContact O-N 2.96Å; V58-S62 VanDerWaalsContact O-CB 3.29Å; V58-S62 WeakPolarHBondContact O-CB 3.39Å; V58-S62 PolarHBondContact O-N 3.21Å; V58-A69 HydrophobicContact CG1-CB 4.22Å; V58-I71 HydrophobicContact CB-CD1 4.06Å; V58-I71 HydrophobicContact CG1-CD1 3.78Å; V58-V118 HydrophobicContact CG2-CB 4.18Å; V58-V118 HydrophobicContact CG2-CG1 3.72Å |
| 59 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A55 Q56 S61 S62 A63 V85 F88 | A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 3.46Å; Q56-A59 PolarHBondContact O-N 3.37Å; A59-S61 VanDerWaalsContact C-N 3.34Å; A59-S61 PolarHBondContact O-N 2.85Å; A59-S62 PolarHBondContact O-N 3.33Å; A59-S62 PolarHBondContact O-OG 3.46Å; A59-A63 PolarHBondContact O-N 2.85Å; A59-V85 HydrophobicContact CB-CG1 4Å; A59-F88 HydrophobicContact CB-CB 3.85Å |
| 60 | F | 97.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 31.6 Ų | 31.6 | 26% | 0.259 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.9 | 179.7 | -90.5 | 0 | 0 | 0 | 111.7 | P21 V22 L27 Q56 V58 R64 F88 | P21-F60 HydrophobicContact CB-CD2 4.18Å; P21-F60 HydrophobicContact CB-CE1 4.39Å; P21-F60 HydrophobicContact CB-CE2 3.59Å; P21-F60 HydrophobicContact CB-CZ 3.71Å; P21-F60 HydrophobicContact CG-CE1 4.42Å; P21-F60 HydrophobicContact CG-CE2 4.23Å; P21-F60 HydrophobicContact CG-CZ 3.84Å; V22-F60 HydrophobicContact CG1-CB 3.48Å; V22-F60 VanDerWaalsContact CG1-CB 3.48Å; V22-F60 HydrophobicContact CG1-CD2 4.14Å; V22-F60 HydrophobicContact CG1-CG 3.8Å; L27-F60 HydrophobicContact CB-CD1 4.46Å; L27-F60 HydrophobicContact CD1-CD1 4.12Å; L27-F60 HydrophobicContact CD1-CE1 4Å; Q56-F60 VanDerWaalsContact O-CB 3.27Å; Q56-F60 WeakPolarHBondContact O-CB 3.25Å; Q56-F60 PolarHBondContact O-N 3.28Å; V58-F60 PolarHBondContact O-N 3.49Å; F60-R64 WeakPolarHBondContact O-CB 3.41Å; F60-R64 PolarHBondContact O-N 2.9Å; F60-R64 VanDerWaalsContact O-N 3.11Å; F60-F88 HydrophobicContact CB-CB 4.39Å; F60-F88 HydrophobicContact CB-CD1 4.21Å; F60-F88 HydrophobicContact CB-CG 4.25Å; F60-F88 AromaticContact CD2-CD1 3.68Å; F60-F88 HydrophobicContact CD2-CD1 3.68Å; F60-F88 AromaticContact CD2-CE1 3.85Å; F60-F88 HydrophobicContact CD2-CE1 3.85Å; F60-F88 HydrophobicContact CG-CD1 4.45Å |
| 61 | S | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | Y31 G57 V58 A59 R64 L65 | Y31-S61 WeakPolarHBondContact CA-OG 3.48Å; Y31-S61 PolarHBondContact N-OG 3.47Å; G57-S61 VanDerWaalsContact O-CB 3.26Å; G57-S61 WeakPolarHBondContact O-CB 3.42Å; G57-S61 PolarHBondContact O-N 3.04Å; G57-S61 VanDerWaalsContact O-N 3.08Å; G57-S61 PolarHBondContact O-OG 3.12Å; V58-S61 PolarHBondContact O-N 2.96Å; A59-S61 VanDerWaalsContact C-N 3.34Å; A59-S61 PolarHBondContact O-N 2.85Å; S61-R64 PolarHBondContact O-N 2.87Å; S61-L65 WeakPolarHBondContact O-CB 3.32Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 3.39Å |
| 62 | S | 97.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 179.8 | 81 | 0 | 0 | 0 | 0 | 111.7 | M34 V58 A59 R64 L65 G66 V67 A69 | M34-S62 VanDerWaalsContact CE-CA 3.46Å; V58-S62 VanDerWaalsContact O-CB 3.29Å; V58-S62 WeakPolarHBondContact O-CB 3.39Å; V58-S62 PolarHBondContact O-N 3.21Å; A59-S62 PolarHBondContact O-N 3.33Å; A59-S62 PolarHBondContact O-OG 3.46Å; S62-R64 VanDerWaalsContact C-N 3.31Å; S62-R64 PolarHBondContact O-N 2.72Å; S62-L65 CarbonylContact O-C 3.54Å; S62-L65 PolarHBondContact O-N 3.41Å; S62-G66 PolarHBondContact O-N 2.85Å; S62-V67 CarbonylContact C-O 3.33Å; S62-V67 WeakPolarHBondContact CB-O 3.42Å; S62-V67 PolarHBondContact O-N 2.89Å; S62-A69 VanDerWaalsContact OG-CB 3.23Å; S62-A69 WeakPolarHBondContact OG-CB 3.45Å |
| 63 | A | 96.9 | Very high | 97.1 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 49% | 0.488 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A59 L65 G66 F88 | A59-A63 PolarHBondContact O-N 2.85Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.35Å; A63-G66 PolarHBondContact O-N 3Å; A63-F88 WeakPolarHBondContact CB-O 3.11Å |
| 64 | R | 96.3 | Very high | 97 | Very high | 190 Ų | 190 | 28.4 Ų | 28.4 | 72% | 0.717 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -67.6 | -31.4 | 178 | -171.6 | 58.1 | 172.5 | 161.1 | 0 | 113.3 | Y31 F60 S61 S62 | Y31-R64 HydrophobicContact CE2-CB 4.16Å; Y31-R64 HydrophobicContact CE2-CG 3.85Å; F60-R64 WeakPolarHBondContact O-CB 3.41Å; F60-R64 PolarHBondContact O-N 2.9Å; F60-R64 VanDerWaalsContact O-N 3.11Å; S61-R64 PolarHBondContact O-N 2.87Å; S62-R64 VanDerWaalsContact C-N 3.31Å; S62-R64 PolarHBondContact O-N 2.72Å |
| 65 | L | 96.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 32 Ų | 32 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -93.8 | -6.6 | -179.3 | -67.7 | 169.9 | 0 | 0 | 0 | 113.6 | Y31 M34 A35 S61 S62 A63 V67 | Y31-L65 HydrophobicContact CD2-CD1 4.2Å; Y31-L65 HydrophobicContact CD2-CG 4.24Å; Y31-L65 HydrophobicContact CE2-CD1 4.1Å; Y31-L65 HydrophobicContact CE2-CD2 3.74Å; Y31-L65 HydrophobicContact CE2-CG 3.7Å; M34-L65 HydrophobicContact CB-CD1 3.51Å; M34-L65 HydrophobicContact CE-CD1 4.47Å; A35-L65 HydrophobicContact CB-CD1 4.48Å; A35-L65 HydrophobicContact CB-CD2 4.45Å; S61-L65 WeakPolarHBondContact O-CB 3.32Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 3.39Å; S62-L65 CarbonylContact O-C 3.54Å; S62-L65 PolarHBondContact O-N 3.41Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.35Å; L65-V67 VanDerWaalsContact C-N 3.29Å; L65-V67 HydrophobicContact CB-CG2 3.92Å |
| 66 | G | 96.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 36 Ų | 36 | 76% | 0.763 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 27.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S62 A63 | S62-G66 PolarHBondContact O-N 2.85Å; A63-G66 PolarHBondContact O-N 3Å |
| 67 | V | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -103.9 | 136.4 | -179 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | M34 K42 V46 S62 L65 A69 | M34-V67 HydrophobicContact CE-CB 4.41Å; K42-V67 HydrophobicContact CB-CG2 4.04Å; K42-V67 HydrophobicContact CD-CG2 4.3Å; K42-V67 HydrophobicContact CG-CG2 3.79Å; V46-V67 HydrophobicContact CG1-CG1 4.13Å; V46-V67 HydrophobicContact CG2-CG1 4.47Å; S62-V67 CarbonylContact C-O 3.33Å; S62-V67 WeakPolarHBondContact CB-O 3.42Å; S62-V67 PolarHBondContact O-N 2.89Å; L65-V67 VanDerWaalsContact C-N 3.29Å; L65-V67 HydrophobicContact CB-CG2 3.92Å; V67-A69 PolarHBondContact O-N 2.83Å | ||
| 68 | K | 97.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | trans | -64.4 | 131.2 | 173 | 179.8 | 176.4 | 173.8 | 152.8 | 0 | 110 | G45 V46 E91 F115 | G45-K68 CarbonylContact C-O 3.51Å; G45-K68 VanDerWaalsContact CA-O 3.26Å; G45-K68 WeakPolarHBondContact CA-O 3.31Å; V46-K68 PolarHBondContact N-O 2.72Å; K68-E91 WeakPolarHBondContact CE-OE1 3.36Å; K68-E91 WeakPolarHBondContact CE-OE2 3.44Å; K68-E91 IonicContact NZ-OE1 2.91Å; K68-E91 PolarHBondContact NZ-OE1 3.24Å; K68-E91 IonicContact NZ-OE2 3.39Å; K68-E91 PolarHBondContact NZ-OE2 3.08Å; K68-F115 HydrophobicContact CD-CE1 4.26Å | ||
| 69 | A | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V46 V58 S62 V67 I71 E91 | V46-A69 HydrophobicContact CG2-CB 3.59Å; V46-A69 WeakPolarHBondContact O-CA 3.39Å; V58-A69 HydrophobicContact CG1-CB 4.22Å; S62-A69 VanDerWaalsContact OG-CB 3.23Å; S62-A69 WeakPolarHBondContact OG-CB 3.45Å; V67-A69 PolarHBondContact O-N 2.83Å; A69-I71 HydrophobicContact CB-CD1 4.39Å; A69-E91 WeakPolarHBondContact O-CB 3.44Å; A69-E91 PolarHBondContact O-N 2.72Å |
| 70 | L | 98.2 | Very high | 94.4 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.9 | 170.4 | -174.7 | 60.4 | 0 | 0 | 0 | 109.9 | V46 I47 T48 E91 L93 L109 F115 | V46-L70 PolarHBondContact O-N 2.88Å; I47-L70 VanDerWaalsContact CA-O 3.27Å; I47-L70 WeakPolarHBondContact CA-O 3.33Å; I47-L70 HydrophobicContact CB-CB 4.48Å; I47-L70 HydrophobicContact CD1-CB 4.4Å; I47-L70 HydrophobicContact CD1-CD2 3.84Å; I47-L70 HydrophobicContact CD1-CG 4.25Å; I47-L70 HydrophobicContact CG1-CB 4.12Å; I47-L70 HydrophobicContact CG1-CD2 4.44Å; I47-L70 HydrophobicContact CG1-CG 4.33Å; I47-L70 WeakPolarHBondContact CG1-O 3.32Å; T48-L70 PolarHBondContact N-O 3.2Å; T48-L70 VanDerWaalsContact N-O 3.12Å; L70-E91 CarbonylContact C-O 3.58Å; L70-E91 HydrophobicContact CD1-CB 4.04Å; L70-L93 HydrophobicContact CD1-CB 3.99Å; L70-L109 HydrophobicContact CD2-CD1 4.09Å; L70-F115 HydrophobicContact CB-CZ 4.48Å; L70-F115 HydrophobicContact CD2-CE2 3.97Å; L70-F115 HydrophobicContact CD2-CZ 4.34Å |
| 71 | I | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.1 | -179.3 | -49.6 | -58.5 | 0 | 0 | 0 | 108.3 | T48 A55 V58 A69 M73 V85 E91 V92 L93 | T48-I71 HydrophobicContact CG2-CD1 3.52Å; A55-I71 HydrophobicContact CB-CG2 3.58Å; V58-I71 HydrophobicContact CB-CD1 4.06Å; V58-I71 HydrophobicContact CG1-CD1 3.78Å; A69-I71 HydrophobicContact CB-CD1 4.39Å; I71-M73 HydrophobicContact CB-CE 4.42Å; I71-M73 HydrophobicContact CG2-CE 3.57Å; I71-M73 HydrophobicContact CG2-CG 4.11Å; I71-V85 HydrophobicContact CB-CG1 4.05Å; I71-V85 HydrophobicContact CG1-CG1 3.7Å; I71-V85 HydrophobicContact CG2-CG1 4.25Å; I71-E91 PolarHBondContact N-O 3.22Å; I71-V92 WeakPolarHBondContact O-CA 3.44Å; I71-L93 PolarHBondContact O-N 3.49Å |
| 72 | V | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.4 | 177.1 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | I47 T48 A49 S50 L93 H95 A102 K105 A106 | I47-V72 HydrophobicContact CD1-CG2 4.17Å; I47-V72 HydrophobicContact CG1-CG2 4.3Å; T48-V72 PolarHBondContact O-N 2.92Å; A49-V72 VanDerWaalsContact CA-O 3.27Å; A49-V72 WeakPolarHBondContact CA-O 3.34Å; A49-V72 HydrophobicContact CB-CB 4.46Å; S50-V72 PolarHBondContact N-O 2.71Å; S50-V72 VanDerWaalsContact N-O 3.12Å; V72-L93 WeakPolarHBondContact CA-O 3.2Å; V72-L93 HydrophobicContact CG1-CD2 4.43Å; V72-L93 HydrophobicContact CG1-CG 4.47Å; V72-L93 HydrophobicContact CG2-CB 4.44Å; V72-L93 HydrophobicContact CG2-CD2 4.29Å; V72-H95 HydrophobicContact CG1-CB 4.04Å; V72-A102 HydrophobicContact CG1-CB 4.06Å; V72-A102 VanDerWaalsContact CG1-O 3.31Å; V72-A102 WeakPolarHBondContact CG1-O 3.18Å; V72-K105 HydrophobicContact CG1-CB 4.45Å; V72-A106 HydrophobicContact CB-CB 3.94Å; V72-A106 HydrophobicContact CG2-CB 3.57Å |
| 73 | M | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.7 | 179.5 | -49.8 | -171.6 | 175.9 | 0 | 0 | 110.5 | S50 A55 I71 T77 V82 V85 V92 L93 L94 H95 | S50-M73 WeakPolarHBondContact O-CG 3.42Å; A55-M73 HydrophobicContact CB-CE 4.04Å; I71-M73 HydrophobicContact CB-CE 4.42Å; I71-M73 HydrophobicContact CG2-CE 3.57Å; I71-M73 HydrophobicContact CG2-CG 4.11Å; M73-T77 HydrophobicContact CB-CG2 4.5Å; M73-T77 HydrophobicContact SD-CG2 3.94Å; M73-V82 HydrophobicContact SD-CG2 4.02Å; M73-V85 HydrophobicContact CE-CB 3.64Å; M73-V85 HydrophobicContact CE-CG1 3.83Å; M73-V85 HydrophobicContact CE-CG2 3.38Å; M73-V92 HydrophobicContact CE-CG1 4.32Å; M73-V92 HydrophobicContact CE-CG2 4.13Å; M73-V92 HydrophobicContact CG-CG1 4.02Å; M73-V92 HydrophobicContact SD-CG1 3.93Å; M73-L93 PolarHBondContact N-O 3.43Å; M73-L94 HydrophobicContact CB-CD2 3.99Å; M73-L94 CarbonylContact O-C 3.56Å; M73-L94 VanDerWaalsContact O-CA 3.32Å; M73-L94 WeakPolarHBondContact O-CA 3.38Å; M73-H95 PolarHBondContact O-N 2.95Å |
| 74 | P | 93.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | trans | -56.7 | 148.6 | 170 | -23.8 | 33.9 | 0 | 0 | 0 | 111.8 | A76 T77 G96 A102 | P74-A76 PolarHBondContact O-N 3.47Å; P74-T77 WeakPolarHBondContact CD-OG1 3.13Å; P74-T77 VanDerWaalsContact O-CB 3.28Å; P74-T77 WeakPolarHBondContact O-CB 3.34Å; P74-T77 PolarHBondContact O-N 3.31Å; P74-T77 PolarHBondContact O-OG1 2.84Å; P74-G96 WeakPolarHBondContact CA-O 3.4Å; P74-A102 HydrophobicContact CG-CB 4.23Å | ||
| 75 | T | 94.2 | Very high | 93.2 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | T77 L94 G96 | T75-T77 PolarHBondContact O-N 3.23Å; T75-L94 HydrophobicContact CG2-CB 4.29Å; T75-G96 PolarHBondContact N-O 2.98Å; T75-G96 PolarHBondContact OG1-O 3.47Å; T75-G96 VanDerWaalsContact OG1-O 3.14Å |
| 76 | A | 89.6 | Confident | 93.1 | Very high | 85 Ų | 85 | 48 Ų | 48 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 6.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P74 A78 | P74-A76 PolarHBondContact O-N 3.47Å; A76-A78 PolarHBondContact O-N 3.5Å |
| 77 | T | 86.2 | Confident | 93.1 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | trans | -66.1 | 128 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | A51 M73 P74 T75 D79 K81 V82 | A51-T77 HydrophobicContact CB-CG2 3.77Å; M73-T77 HydrophobicContact CB-CG2 4.5Å; M73-T77 HydrophobicContact SD-CG2 3.94Å; P74-T77 WeakPolarHBondContact CD-OG1 3.13Å; P74-T77 VanDerWaalsContact O-CB 3.28Å; P74-T77 WeakPolarHBondContact O-CB 3.34Å; P74-T77 PolarHBondContact O-N 3.31Å; P74-T77 PolarHBondContact O-OG1 2.84Å; T75-T77 PolarHBondContact O-N 3.23Å; T77-D79 PolarHBondContact O-N 2.95Å; T77-K81 HydrophobicContact CG2-CB 3.82Å; T77-K81 HydrophobicContact CG2-CD 4.41Å; T77-V82 HydrophobicContact CG2-CG2 3.97Å | ||
| 78 | A | 84.7 | Confident | 93 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | trans | -56.9 | 138.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A76 I80 K81 V82 | A76-A78 PolarHBondContact O-N 3.5Å; A78-I80 HydrophobicContact CB-CG2 4.23Å; A78-I80 PolarHBondContact O-N 3.32Å; A78-I80 VanDerWaalsContact O-N 3.11Å; A78-K81 WeakPolarHBondContact O-CB 3.41Å; A78-K81 PolarHBondContact O-N 2.88Å; A78-V82 PolarHBondContact O-N 2.91Å | ||
| 79 | D | 87 | Confident | 92.8 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.4 | -37.9 | -175.7 | -67.1 | -32.2 | 0 | 0 | 0 | 112.7 | T77 K81 V82 D83 | T77-D79 PolarHBondContact O-N 2.95Å; D79-K81 VanDerWaalsContact C-N 3.27Å; D79-K81 PolarHBondContact O-N 2.97Å; D79-V82 WeakPolarHBondContact O-CB 3.48Å; D79-V82 PolarHBondContact O-N 3.38Å; D79-D83 WeakPolarHBondContact O-CB 3.35Å; D79-D83 PolarHBondContact O-N 3.4Å |
| 80 | I | 85.7 | Confident | 92.6 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.3 | -35.9 | 177.4 | -165.5 | 167.6 | 0 | 0 | 0 | 113.4 | A78 A84 | A78-I80 HydrophobicContact CB-CG2 4.23Å; A78-I80 PolarHBondContact O-N 3.32Å; A78-I80 VanDerWaalsContact O-N 3.11Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; I80-A84 PolarHBondContact O-N 3.21Å |
| 81 | K | 87 | Confident | 92.6 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -74.4 | -37.4 | 177.5 | -76.6 | 171.5 | 162.3 | -174.2 | 0 | 110.5 | A51 T77 A78 D79 V85 E204 | A51-K81 VanDerWaalsContact O-CD 3.27Å; A51-K81 WeakPolarHBondContact O-CD 3.33Å; T77-K81 HydrophobicContact CG2-CB 3.82Å; T77-K81 HydrophobicContact CG2-CD 4.41Å; A78-K81 WeakPolarHBondContact O-CB 3.41Å; A78-K81 PolarHBondContact O-N 2.88Å; D79-K81 VanDerWaalsContact C-N 3.27Å; D79-K81 PolarHBondContact O-N 2.97Å; K81-V85 PolarHBondContact O-N 3.26Å; K81-E204 IonicContact NZ-OE2 3.24Å; K81-E204 PolarHBondContact NZ-OE2 3Å |
| 82 | V | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | M73 T77 A78 D79 A84 V85 R86 V92 L94 | M73-V82 HydrophobicContact SD-CG2 4.02Å; T77-V82 HydrophobicContact CG2-CG2 3.97Å; A78-V82 PolarHBondContact O-N 2.91Å; D79-V82 WeakPolarHBondContact O-CB 3.48Å; D79-V82 PolarHBondContact O-N 3.38Å; V82-A84 VanDerWaalsContact C-N 3.35Å; V82-A84 PolarHBondContact O-N 2.93Å; V82-V85 PolarHBondContact O-N 2.96Å; V82-R86 WeakPolarHBondContact O-CG 3.21Å; V82-R86 PolarHBondContact O-N 3.21Å; V82-V92 HydrophobicContact CG1-CB 4.3Å; V82-V92 HydrophobicContact CG1-CG1 4.03Å; V82-V92 HydrophobicContact CG1-CG2 4.31Å; V82-L94 HydrophobicContact CG2-CD2 3.98Å |
| 83 | D | 93.2 | Very high | 92.5 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | -177.8 | -70.3 | -18.6 | 0 | 0 | 0 | 112 | D79 V85 R86 G87 | D79-D83 WeakPolarHBondContact O-CB 3.35Å; D79-D83 PolarHBondContact O-N 3.4Å; D83-V85 VanDerWaalsContact C-N 3.31Å; D83-V85 PolarHBondContact O-N 2.86Å; D83-R86 PolarHBondContact O-N 3.19Å; D83-R86 IonicContact OD1-NH1 3.72Å; D83-R86 PolarHBondContact OD1-NH1 2.95Å; D83-G87 PolarHBondContact O-N 3.38Å |
| 84 | A | 92.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q56 I80 V82 G87 F88 | Q56-A84 HydrophobicContact CG-CB 4.48Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; I80-A84 PolarHBondContact O-N 3.21Å; V82-A84 VanDerWaalsContact C-N 3.35Å; V82-A84 PolarHBondContact O-N 2.93Å; A84-G87 PolarHBondContact O-N 3.41Å; A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.47Å |
| 85 | V | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 178.9 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | A55 Q56 A59 I71 M73 K81 V82 D83 G87 F88 G89 G90 V92 | A55-V85 HydrophobicContact CB-CG2 3.78Å; Q56-V85 HydrophobicContact CG-CG2 3.99Å; A59-V85 HydrophobicContact CB-CG1 4Å; I71-V85 HydrophobicContact CB-CG1 4.05Å; I71-V85 HydrophobicContact CG1-CG1 3.7Å; I71-V85 HydrophobicContact CG2-CG1 4.25Å; M73-V85 HydrophobicContact CE-CB 3.64Å; M73-V85 HydrophobicContact CE-CG1 3.83Å; M73-V85 HydrophobicContact CE-CG2 3.38Å; K81-V85 PolarHBondContact O-N 3.26Å; V82-V85 PolarHBondContact O-N 2.96Å; D83-V85 VanDerWaalsContact C-N 3.31Å; D83-V85 PolarHBondContact O-N 2.86Å; V85-G87 VanDerWaalsContact C-N 3.3Å; V85-G87 PolarHBondContact O-N 2.96Å; V85-F88 PolarHBondContact O-N 2.9Å; V85-G89 PolarHBondContact O-N 3.13Å; V85-G90 PolarHBondContact O-N 3.12Å; V85-V92 HydrophobicContact CB-CG2 4.05Å; V85-V92 HydrophobicContact CG1-CG2 3.58Å |
| 86 | R | 95.8 | Very high | 92.7 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 173 | -70.4 | 175.3 | 177.2 | 150.6 | -2.3 | 111.7 | V82 D83 F88 G89 V92 | V82-R86 WeakPolarHBondContact O-CG 3.21Å; V82-R86 PolarHBondContact O-N 3.21Å; D83-R86 PolarHBondContact O-N 3.19Å; D83-R86 IonicContact OD1-NH1 3.72Å; D83-R86 PolarHBondContact OD1-NH1 2.95Å; R86-F88 PolarHBondContact O-N 3.18Å; R86-G89 WeakPolarHBondContact O-CA 3.45Å; R86-G89 PolarHBondContact O-N 3.14Å; R86-V92 HydrophobicContact CG-CG2 3.91Å |
| 87 | G | 94.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -29.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D83 A84 V85 G89 | D83-G87 PolarHBondContact O-N 3.38Å; A84-G87 PolarHBondContact O-N 3.41Å; V85-G87 VanDerWaalsContact C-N 3.3Å; V85-G87 PolarHBondContact O-N 2.96Å; G87-G89 VanDerWaalsContact C-N 3.33Å |
| 88 | F | 95.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 23% | 0.228 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.8 | 171.4 | -70 | -55.7 | 0 | 0 | 0 | 114.3 | V22 Q56 A59 F60 A63 A84 V85 R86 | V22-F88 HydrophobicContact CB-CE2 4.37Å; V22-F88 HydrophobicContact CB-CZ 4.41Å; V22-F88 HydrophobicContact CG1-CD2 4.32Å; V22-F88 HydrophobicContact CG1-CE1 4.23Å; V22-F88 HydrophobicContact CG1-CE2 3.89Å; V22-F88 HydrophobicContact CG1-CZ 3.84Å; Q56-F88 HydrophobicContact CB-CD2 4.07Å; Q56-F88 HydrophobicContact CB-CE2 4.06Å; Q56-F88 HydrophobicContact CG-CD2 4.32Å; Q56-F88 HydrophobicContact CG-CE2 4.24Å; A59-F88 HydrophobicContact CB-CB 3.85Å; F60-F88 HydrophobicContact CB-CB 4.39Å; F60-F88 HydrophobicContact CB-CD1 4.21Å; F60-F88 HydrophobicContact CB-CG 4.25Å; F60-F88 AromaticContact CD2-CD1 3.68Å; F60-F88 HydrophobicContact CD2-CD1 3.68Å; F60-F88 AromaticContact CD2-CE1 3.85Å; F60-F88 HydrophobicContact CD2-CE1 3.85Å; F60-F88 HydrophobicContact CG-CD1 4.45Å; A63-F88 WeakPolarHBondContact CB-O 3.11Å; A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.47Å; V85-F88 PolarHBondContact O-N 2.9Å; R86-F88 PolarHBondContact O-N 3.18Å |
| 89 | G | 93 | Very high | 92.7 | Very high | 51 Ų | 51 | 62 Ų | 62 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 11.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V85 R86 G87 | V85-G89 PolarHBondContact O-N 3.13Å; R86-G89 WeakPolarHBondContact O-CA 3.45Å; R86-G89 PolarHBondContact O-N 3.14Å; G87-G89 VanDerWaalsContact C-N 3.33Å |
| 90 | G | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | trans | -79.7 | 136.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V85 | V85-G90 PolarHBondContact O-N 3.12Š| ||
| 91 | E | 97.1 | Very high | 93 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.9 | 167.6 | -67.7 | 179.7 | -160 | 0 | 0 | 108.8 | K68 A69 L70 I71 | K68-E91 WeakPolarHBondContact CE-OE1 3.36Å; K68-E91 WeakPolarHBondContact CE-OE2 3.44Å; K68-E91 IonicContact NZ-OE1 2.91Å; K68-E91 PolarHBondContact NZ-OE1 3.24Å; K68-E91 IonicContact NZ-OE2 3.39Å; K68-E91 PolarHBondContact NZ-OE2 3.08Å; A69-E91 WeakPolarHBondContact O-CB 3.44Å; A69-E91 PolarHBondContact O-N 2.72Å; L70-E91 CarbonylContact C-O 3.58Å; L70-E91 HydrophobicContact CD1-CB 4.04Å; I71-E91 PolarHBondContact N-O 3.22Å |
| 92 | V | 97.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.5 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | I71 M73 V82 V85 R86 L94 | I71-V92 WeakPolarHBondContact O-CA 3.44Å; M73-V92 HydrophobicContact CE-CG1 4.32Å; M73-V92 HydrophobicContact CE-CG2 4.13Å; M73-V92 HydrophobicContact CG-CG1 4.02Å; M73-V92 HydrophobicContact SD-CG1 3.93Å; V82-V92 HydrophobicContact CG1-CB 4.3Å; V82-V92 HydrophobicContact CG1-CG1 4.03Å; V82-V92 HydrophobicContact CG1-CG2 4.31Å; V85-V92 HydrophobicContact CB-CG2 4.05Å; V85-V92 HydrophobicContact CG1-CG2 3.58Å; R86-V92 HydrophobicContact CG-CG2 3.91Å; V92-L94 HydrophobicContact CG1-CD2 3.93Å; V92-L94 HydrophobicContact CG1-CG 4.42Å |
| 93 | L | 97.2 | Very high | 93.4 | Very high | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.1 | 168 | 176 | 63.7 | 0 | 0 | 0 | 109.6 | L70 I71 V72 M73 H95 K105 L109 | L70-L93 HydrophobicContact CD1-CB 3.99Å; I71-L93 PolarHBondContact O-N 3.49Å; V72-L93 WeakPolarHBondContact CA-O 3.2Å; V72-L93 HydrophobicContact CG1-CD2 4.43Å; V72-L93 HydrophobicContact CG1-CG 4.47Å; V72-L93 HydrophobicContact CG2-CB 4.44Å; V72-L93 HydrophobicContact CG2-CD2 4.29Å; M73-L93 PolarHBondContact N-O 3.43Å; L93-H95 HydrophobicContact CG-CB 4.41Å; L93-K105 HydrophobicContact CD2-CG 4.43Å; L93-L109 HydrophobicContact CD2-CD1 3.5Å; L93-L109 VanDerWaalsContact CD2-CD1 3.5Å |
| 94 | L | 97 | Very high | 93.5 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116.2 | 172.4 | -61.8 | -176.7 | 0 | 0 | 0 | 109.6 | M73 T75 V82 V92 | M73-L94 HydrophobicContact CB-CD2 3.99Å; M73-L94 CarbonylContact O-C 3.56Å; M73-L94 VanDerWaalsContact O-CA 3.32Å; M73-L94 WeakPolarHBondContact O-CA 3.38Å; T75-L94 HydrophobicContact CG2-CB 4.29Å; V82-L94 HydrophobicContact CG2-CD2 3.98Å; V92-L94 HydrophobicContact CG1-CD2 3.93Å; V92-L94 HydrophobicContact CG1-CG 4.42Å |
| 95 | H | 97 | Very high | 93.7 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -151.1 | 139.5 | -179 | -169.7 | 86.4 | 0 | 0 | 0 | 112.1 | V72 M73 L93 A102 K105 | V72-H95 HydrophobicContact CG1-CB 4.04Å; M73-H95 PolarHBondContact O-N 2.95Å; L93-H95 HydrophobicContact CG-CB 4.41Å; H95-A102 WeakPolarHBondContact O-CB 3.42Å; H95-K105 HydrophobicContact CB-CB 4.46Å; H95-K105 HydrophobicContact CB-CG 4.24Å; H95-K105 WeakPolarHBondContact CD2-CB 3.36Å | ||
| 96 | G | 92.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 78.9 | 156.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | P74 T75 N98 E101 | P74-G96 WeakPolarHBondContact CA-O 3.4Å; T75-G96 PolarHBondContact N-O 2.98Å; T75-G96 PolarHBondContact OG1-O 3.47Å; T75-G96 VanDerWaalsContact OG1-O 3.14Å; G96-N98 VanDerWaalsContact C-N 3.34Å; G96-E101 WeakPolarHBondContact CA-OE2 3.27Å |
| 97 | A | 88.6 | Confident | 93.8 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -77.2 | -22.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E101 | A97-E101 PolarHBondContact N-OE2 3.18Š|
| 98 | N | 86.1 | Confident | 93.9 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -143.4 | 174.7 | -174.4 | 58.2 | 60.8 | 0 | 0 | 0 | 111.2 | G96 D100 E101 A102 | G96-N98 VanDerWaalsContact C-N 3.34Å; N98-D100 VanDerWaalsContact C-N 3.32Å; N98-D100 PolarHBondContact O-N 2.77Å; N98-D100 PolarHBondContact OD1-N 3.2Å; N98-D100 VanDerWaalsContact OD1-N 3.1Å; N98-E101 PolarHBondContact ND2-OE1 3.5Å; N98-E101 PolarHBondContact O-N 3.17Å; N98-E101 PolarHBondContact OD1-N 3.41Å; N98-A102 PolarHBondContact O-N 3.42Å; N98-A102 VanDerWaalsContact O-N 3.16Å |
| 99 | F | 86.4 | Confident | 93.9 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -35.6 | -177.9 | 177.2 | -98.9 | 0 | 0 | 0 | 113.3 | A49 A102 K103 | A49-F99 HydrophobicContact CB-CE2 4.3Å; A49-F99 WeakPolarHBondContact O-CE2 3.42Å; F99-A102 PolarHBondContact O-N 3.43Å; F99-K103 HydrophobicContact CE1-CB 4.41Å; F99-K103 HydrophobicContact CE1-CD 4.07Å; F99-K103 HydrophobicContact CZ-CD 4.48Å; F99-K103 VanDerWaalsContact O-CB 3.27Å; F99-K103 WeakPolarHBondContact O-CB 3.48Å; F99-K103 PolarHBondContact O-N 3.09Å |
| 100 | D | 87.4 | Confident | 94.1 | Very high | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | -178 | -70.9 | -29.5 | 0 | 0 | 0 | 111.5 | N98 K103 A104 | N98-D100 VanDerWaalsContact C-N 3.32Å; N98-D100 PolarHBondContact O-N 2.77Å; N98-D100 PolarHBondContact OD1-N 3.2Å; N98-D100 VanDerWaalsContact OD1-N 3.1Å; D100-K103 PolarHBondContact O-N 3.41Å; D100-A104 WeakPolarHBondContact O-CB 3.1Å; D100-A104 PolarHBondContact O-N 3.33Å |
| 101 | E | 92.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 61.2 Ų | 61.2 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 173.5 | -70.8 | 171.2 | -142.1 | 0 | 0 | 111.9 | G96 A97 N98 K103 A104 K105 | G96-E101 WeakPolarHBondContact CA-OE2 3.27Å; A97-E101 PolarHBondContact N-OE2 3.18Å; N98-E101 PolarHBondContact ND2-OE1 3.5Å; N98-E101 PolarHBondContact O-N 3.17Å; N98-E101 PolarHBondContact OD1-N 3.41Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 2.81Å; E101-A104 PolarHBondContact O-N 3.3Å; E101-K105 PolarHBondContact O-N 3.22Å |
| 102 | A | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V72 P74 H95 N98 F99 K105 A106 | V72-A102 HydrophobicContact CG1-CB 4.06Å; V72-A102 VanDerWaalsContact CG1-O 3.31Å; V72-A102 WeakPolarHBondContact CG1-O 3.18Å; P74-A102 HydrophobicContact CG-CB 4.23Å; H95-A102 WeakPolarHBondContact O-CB 3.42Å; N98-A102 PolarHBondContact O-N 3.42Å; N98-A102 VanDerWaalsContact O-N 3.16Å; F99-A102 PolarHBondContact O-N 3.43Å; A102-K105 PolarHBondContact O-N 2.87Å; A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 3.23Å |
| 103 | K | 93.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 176.5 | -178.3 | -178.1 | 175 | -173.4 | 0 | 111.9 | A49 F99 D100 E101 K105 A106 I107 W117 | A49-K103 VanDerWaalsContact CB-CA 3.48Å; A49-K103 HydrophobicContact CB-CB 3.95Å; A49-K103 HydrophobicContact CB-CG 4.47Å; F99-K103 HydrophobicContact CE1-CB 4.41Å; F99-K103 HydrophobicContact CE1-CD 4.07Å; F99-K103 HydrophobicContact CZ-CD 4.48Å; F99-K103 VanDerWaalsContact O-CB 3.27Å; F99-K103 WeakPolarHBondContact O-CB 3.48Å; F99-K103 PolarHBondContact O-N 3.09Å; D100-K103 PolarHBondContact O-N 3.41Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 2.81Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 3.3Å; K103-A106 PolarHBondContact O-N 2.96Å; K103-I107 HydrophobicContact CG-CD1 3.99Å; K103-I107 WeakPolarHBondContact O-CG1 3.41Å; K103-I107 PolarHBondContact O-N 3.24Å; K103-W117 HydrophobicContact CG-CH2 4.29Å |
| 104 | A | 94.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | D100 E101 I107 E108 | D100-A104 WeakPolarHBondContact O-CB 3.1Å; D100-A104 PolarHBondContact O-N 3.33Å; E101-A104 PolarHBondContact O-N 3.3Å; A104-I107 PolarHBondContact O-N 3.06Å; A104-E108 WeakPolarHBondContact O-CB 3.48Å; A104-E108 PolarHBondContact O-N 3.45Å |
| 105 | K | 97.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.1 | -173.8 | 53.3 | 169.6 | 173.8 | 0 | 113.2 | V72 L93 H95 E101 A102 K103 I107 E108 L109 | V72-K105 HydrophobicContact CG1-CB 4.45Å; L93-K105 HydrophobicContact CD2-CG 4.43Å; H95-K105 HydrophobicContact CB-CB 4.46Å; H95-K105 HydrophobicContact CB-CG 4.24Å; H95-K105 WeakPolarHBondContact CD2-CB 3.36Å; E101-K105 PolarHBondContact O-N 3.22Å; A102-K105 PolarHBondContact O-N 2.87Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 3.3Å; K105-I107 VanDerWaalsContact C-N 3.34Å; K105-I107 PolarHBondContact O-N 3.45Å; K105-E108 WeakPolarHBondContact CD-OE2 3.49Å; K105-E108 IonicContact NZ-OE1 3.72Å; K105-E108 PolarHBondContact NZ-OE1 3.34Å; K105-E108 IonicContact NZ-OE2 3.58Å; K105-E108 PolarHBondContact NZ-OE2 2.9Å; K105-E108 PolarHBondContact O-N 2.97Å; K105-L109 HydrophobicContact CD-CD1 4.28Å; K105-L109 HydrophobicContact CD-CG 4.16Å; K105-L109 HydrophobicContact CG-CD1 4.04Å; K105-L109 HydrophobicContact CG-CG 4.41Å; K105-L109 WeakPolarHBondContact O-CB 3.35Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.46Å; K105-L109 PolarHBondContact O-N 2.92Å |
| 106 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I47 A49 V72 A102 K103 L109 S110 W117 | I47-A106 HydrophobicContact CD1-CB 4.21Å; I47-A106 WeakPolarHBondContact CD1-O 3.32Å; I47-A106 HydrophobicContact CG1-CB 4.22Å; A49-A106 HydrophobicContact CB-CB 3.89Å; V72-A106 HydrophobicContact CB-CB 3.94Å; V72-A106 HydrophobicContact CG2-CB 3.57Å; A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 3.23Å; K103-A106 PolarHBondContact O-N 2.96Å; A106-L109 PolarHBondContact O-N 3.12Å; A106-S110 WeakPolarHBondContact O-CB 3.24Å; A106-S110 PolarHBondContact O-N 3.22Å; A106-W117 HydrophobicContact CB-CZ3 3.71Å |
| 107 | I | 95.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 63 Ų | 63 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 175.4 | -67.5 | 167.7 | 0 | 0 | 0 | 110.6 | K103 A104 K105 L109 S110 Q111 W117 | K103-I107 HydrophobicContact CG-CD1 3.99Å; K103-I107 WeakPolarHBondContact O-CG1 3.41Å; K103-I107 PolarHBondContact O-N 3.24Å; A104-I107 PolarHBondContact O-N 3.06Å; K105-I107 VanDerWaalsContact C-N 3.34Å; K105-I107 PolarHBondContact O-N 3.45Å; I107-L109 PolarHBondContact O-N 2.76Å; I107-S110 WeakPolarHBondContact O-CB 3.37Å; I107-S110 PolarHBondContact O-N 2.94Å; I107-Q111 WeakPolarHBondContact O-CG 3.12Å; I107-Q111 PolarHBondContact O-N 3.19Å; I107-Q111 VanDerWaalsContact O-N 3.08Å; I107-W117 HydrophobicContact CG1-CZ3 4.43Å |
| 108 | E | 96.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 175.7 | -172.7 | -155 | 148.5 | 0 | 0 | 111.3 | A104 K105 Q111 Q112 | A104-E108 WeakPolarHBondContact O-CB 3.48Å; A104-E108 PolarHBondContact O-N 3.45Å; K105-E108 WeakPolarHBondContact CD-OE2 3.49Å; K105-E108 IonicContact NZ-OE1 3.72Å; K105-E108 PolarHBondContact NZ-OE1 3.34Å; K105-E108 IonicContact NZ-OE2 3.58Å; K105-E108 PolarHBondContact NZ-OE2 2.9Å; K105-E108 PolarHBondContact O-N 2.97Å; E108-Q111 PolarHBondContact O-N 3.5Å; E108-Q112 VanDerWaalsContact CG-NE2 3.34Å; E108-Q112 WeakPolarHBondContact O-CB 3.32Å; E108-Q112 WeakPolarHBondContact O-CG 3.17Å; E108-Q112 PolarHBondContact O-N 3.3Å; E108-Q112 PolarHBondContact OE1-NE2 3.5Å |
| 109 | L | 96.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 179.4 | -70.7 | 172.9 | 0 | 0 | 0 | 112.8 | I47 L70 L93 K105 A106 I107 Q111 Q112 Q113 | I47-L109 HydrophobicContact CD1-CB 3.61Å; I47-L109 HydrophobicContact CD1-CD1 4.26Å; L70-L109 HydrophobicContact CD2-CD1 4.09Å; L93-L109 HydrophobicContact CD2-CD1 3.5Å; L93-L109 VanDerWaalsContact CD2-CD1 3.5Å; K105-L109 HydrophobicContact CD-CD1 4.28Å; K105-L109 HydrophobicContact CD-CG 4.16Å; K105-L109 HydrophobicContact CG-CD1 4.04Å; K105-L109 HydrophobicContact CG-CG 4.41Å; K105-L109 WeakPolarHBondContact O-CB 3.35Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.46Å; K105-L109 PolarHBondContact O-N 2.92Å; A106-L109 PolarHBondContact O-N 3.12Å; I107-L109 PolarHBondContact O-N 2.76Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q112 PolarHBondContact O-N 2.83Å; L109-Q113 WeakPolarHBondContact O-CB 3.49Å; L109-Q113 PolarHBondContact O-N 3.11Å |
| 110 | S | 96.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | A106 I107 G114 F115 | A106-S110 WeakPolarHBondContact O-CB 3.24Å; A106-S110 PolarHBondContact O-N 3.22Å; I107-S110 WeakPolarHBondContact O-CB 3.37Å; I107-S110 PolarHBondContact O-N 2.94Å; S110-G114 WeakPolarHBondContact O-CA 3.36Å; S110-G114 PolarHBondContact O-N 3.32Å; S110-G114 VanDerWaalsContact O-N 3.1Å; S110-F115 PolarHBondContact O-N 3.2Å; S110-F115 PolarHBondContact OG-O 3.41Å |
| 111 | Q | 95 | Very high | 95.5 | Very high | 157 Ų | 157 | 50.4 Ų | 50.4 | 73% | 0.734 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.6 | -38.7 | -179.7 | -68 | 172.5 | -5.1 | 0 | 0 | 112.8 | I107 E108 L109 | I107-Q111 WeakPolarHBondContact O-CG 3.12Å; I107-Q111 PolarHBondContact O-N 3.19Å; I107-Q111 VanDerWaalsContact O-N 3.08Å; E108-Q111 PolarHBondContact O-N 3.5Å; L109-Q111 VanDerWaalsContact C-N 3.33Å |
| 112 | Q | 94.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 48.9 Ų | 48.9 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -77.9 | -37.9 | -176.8 | -72.8 | 174.2 | 2.4 | 0 | 0 | 113.8 | E108 L109 | E108-Q112 VanDerWaalsContact CG-NE2 3.34Å; E108-Q112 WeakPolarHBondContact O-CB 3.32Å; E108-Q112 WeakPolarHBondContact O-CG 3.17Å; E108-Q112 PolarHBondContact O-N 3.3Å; E108-Q112 PolarHBondContact OE1-NE2 3.5Å; L109-Q112 PolarHBondContact O-N 2.83Å |
| 113 | Q | 93.7 | Very high | 95.8 | Very high | 107 Ų | 107 | 51.7 Ų | 51.7 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -108.6 | -1.2 | -171.3 | -56.2 | -171.3 | 16.6 | 0 | 0 | 113.5 | L109 F115 | L109-Q113 WeakPolarHBondContact O-CB 3.49Å; L109-Q113 PolarHBondContact O-N 3.11Å; Q113-F115 VanDerWaalsContact C-N 3.29Å; Q113-F115 HydrophobicContact CB-CD2 3.8Å; Q113-F115 HydrophobicContact CB-CE2 3.82Å; Q113-F115 HydrophobicContact CG-CE2 4.44Å; Q113-F115 PolarHBondContact O-N 3.28Å |
| 114 | G | 94.1 | Very high | 96 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | trans | 75.7 | 11.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H44 S110 T116 | H44-G114 WeakPolarHBondContact CB-O 3.18Å; S110-G114 WeakPolarHBondContact O-CA 3.36Å; S110-G114 PolarHBondContact O-N 3.32Å; S110-G114 VanDerWaalsContact O-N 3.1Å; G114-T116 PolarHBondContact O-N 3.13Å | ||
| 115 | F | 97 | Very high | 96.1 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 136.8 | 173.9 | -69.8 | -68.7 | 0 | 0 | 0 | 110.7 | H44 G45 I47 K68 L70 S110 Q113 W117 | H44-F115 WeakPolarHBondContact O-CD1 3.27Å; H44-F115 WeakPolarHBondContact O-CE1 3.21Å; G45-F115 WeakPolarHBondContact O-CA 3.42Å; I47-F115 HydrophobicContact CB-CB 3.69Å; I47-F115 HydrophobicContact CB-CD2 4.44Å; I47-F115 HydrophobicContact CB-CG 4.1Å; I47-F115 HydrophobicContact CD1-CD2 4.23Å; I47-F115 HydrophobicContact CG2-CB 3.44Å; I47-F115 VanDerWaalsContact CG2-CB 3.44Å; I47-F115 HydrophobicContact CG2-CG 4.34Å; K68-F115 HydrophobicContact CD-CE1 4.26Å; L70-F115 HydrophobicContact CB-CZ 4.48Å; L70-F115 HydrophobicContact CD2-CE2 3.97Å; L70-F115 HydrophobicContact CD2-CZ 4.34Å; S110-F115 PolarHBondContact O-N 3.2Å; S110-F115 PolarHBondContact OG-O 3.41Å; Q113-F115 VanDerWaalsContact C-N 3.29Å; Q113-F115 HydrophobicContact CB-CD2 3.8Å; Q113-F115 HydrophobicContact CB-CE2 3.82Å; Q113-F115 HydrophobicContact CG-CE2 4.44Å; Q113-F115 PolarHBondContact O-N 3.28Å; F115-W117 PolarHBondContact O-N 3.12Å |
| 116 | T | 97.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.8 | 174.3 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | M33 L37 Q41 G45 V46 I47 G114 V118 | M33-T116 HydrophobicContact CE-CG2 3.95Å; L37-T116 HydrophobicContact CD2-CG2 3.69Å; Q41-T116 WeakPolarHBondContact CG-OG1 3.45Å; G45-T116 PolarHBondContact O-N 2.87Å; V46-T116 CarbonylContact C-O 3.55Å; V46-T116 VanDerWaalsContact CA-O 3.26Å; V46-T116 WeakPolarHBondContact CA-O 3.38Å; I47-T116 PolarHBondContact N-O 3.41Å; G114-T116 PolarHBondContact O-N 3.13Å; T116-V118 PolarHBondContact O-N 3.39Å |
| 117 | W | 96.9 | Very high | 96.2 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 27% | 0.265 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.6 | 175.8 | 176.1 | -105.1 | 0 | 0 | 0 | 111.4 | I47 A49 K103 A106 I107 F115 P119 | I47-W117 HydrophobicContact CG2-CE3 4.31Å; I47-W117 WeakPolarHBondContact O-CA 3.33Å; A49-W117 HydrophobicContact CB-CH2 4.24Å; K103-W117 HydrophobicContact CG-CH2 4.29Å; A106-W117 HydrophobicContact CB-CZ3 3.71Å; I107-W117 HydrophobicContact CG1-CZ3 4.43Å; F115-W117 PolarHBondContact O-N 3.12Å; W117-P119 VanDerWaalsContact O-CD 3.3Å; W117-P119 WeakPolarHBondContact O-CD 3.22Å |
| 118 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -106 | 98.5 | 175.2 | -176 | 0 | 0 | 0 | 0 | 109.7 | M33 M34 V46 I47 T48 H54 V58 T116 | M33-V118 HydrophobicContact SD-CG1 4.25Å; M33-V118 HydrophobicContact SD-CG2 4.01Å; M34-V118 HydrophobicContact CG-CG2 4.1Å; M34-V118 HydrophobicContact SD-CG2 4.45Å; V46-V118 HydrophobicContact CB-CG2 3.68Å; V46-V118 HydrophobicContact CG1-CG2 3.83Å; V46-V118 HydrophobicContact CG2-CG2 4.29Å; I47-V118 PolarHBondContact O-N 2.92Å; T48-V118 PolarHBondContact OG1-O 3Å; H54-V118 PolarHBondContact NE2-O 3.14Å; V58-V118 HydrophobicContact CG2-CB 4.18Å; V58-V118 HydrophobicContact CG2-CG1 3.72Å; T116-V118 PolarHBondContact O-N 3.39Å | ||
| 119 | P | 95.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -70.8 | 149.2 | -176.3 | 26.1 | -31.8 | 0 | 0 | 0 | 112.2 | H54 W117 F121 H123 V126 | H54-P119 PolarHBondContact CE1-O 2.96Å; W117-P119 VanDerWaalsContact O-CD 3.3Å; W117-P119 WeakPolarHBondContact O-CD 3.22Å; P119-F121 VanDerWaalsContact C-N 3.34Å; P119-F121 PolarHBondContact O-N 3.36Å; P119-H123 HydrophobicContact CG-CB 3.42Å; P119-H123 VanDerWaalsContact CG-CB 3.42Å; P119-V126 HydrophobicContact CG-CG2 4.42Å | ||
| 120 | P | 94.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73 | -18.9 | -178.5 | 26 | -33.6 | 0 | 0 | 0 | 115.4 | K26 H54 | K26-P120 PolarHBondContact NZ-O 2.85Å; H54-P120 HydrophobicContact CB-CB 4.26Å; H54-P120 VanDerWaalsContact CE1-CA 3.46Å; H54-P120 WeakPolarHBondContact CE1-CA 3.36Å |
| 121 | F | 95.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 46 Ų | 46 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -159.8 | -41.2 | -177.2 | 49.6 | -97.9 | 0 | 0 | 0 | 114.5 | P119 H123 I127 G153 V208 T215 | P119-F121 VanDerWaalsContact C-N 3.34Å; P119-F121 PolarHBondContact O-N 3.36Å; F121-H123 VanDerWaalsContact C-N 3.3Å; F121-H123 PolarHBondContact O-N 3.3Å; F121-I127 WeakPolarHBondContact O-CG1 3.44Å; F121-G153 WeakPolarHBondContact CD2-O 3.24Å; F121-V208 HydrophobicContact CE1-CG1 4.41Å; F121-V208 HydrophobicContact CZ-CG1 4.2Å; F121-T215 HydrophobicContact CD2-CG2 4.45Å |
| 122 | D | 96.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -85.6 | 65.5 | -168 | -155.8 | 27.5 | 0 | 0 | 0 | 112.6 | G212 D213 E214 T215 | D122-G212 WeakPolarHBondContact OD1-CA 3.13Å; D122-G212 WeakPolarHBondContact OD2-CA 3.22Å; D122-D213 PolarHBondContact OD1-N 2.76Å; D122-D213 PolarHBondContact OD2-N 3.41Å; D122-E214 WeakPolarHBondContact OD1-CB 3.48Å; D122-E214 PolarHBondContact OD1-N 2.89Å; D122-T215 PolarHBondContact OD1-N 3.25Å | ||
| 123 | H | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -155.2 | 135 | 176.1 | -176.4 | -81.6 | 0 | 0 | 0 | 110.8 | P119 F121 M125 V126 I127 | P119-H123 HydrophobicContact CG-CB 3.42Å; P119-H123 VanDerWaalsContact CG-CB 3.42Å; F121-H123 VanDerWaalsContact C-N 3.3Å; F121-H123 PolarHBondContact O-N 3.3Å; H123-M125 VanDerWaalsContact C-N 3.32Å; H123-M125 PolarHBondContact ND1-N 2.95Å; H123-M125 VanDerWaalsContact ND1-N 3.13Å; H123-M125 PolarHBondContact O-N 3.48Å; H123-V126 HydrophobicContact CB-CB 4.15Å; H123-V126 HydrophobicContact CB-CG2 3.89Å; H123-V126 WeakPolarHBondContact O-CA 3.47Å; H123-V126 WeakPolarHBondContact O-CB 3.38Å; H123-V126 PolarHBondContact O-N 2.96Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.11Å |
| 124 | P | 97.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 30.1 Ų | 30.1 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -51.6 | -45.1 | -175.7 | -30.2 | 35.8 | 0 | 0 | 0 | 114.3 | V126 I127 A128 | P124-V126 PolarHBondContact O-N 3.15Å; P124-I127 PolarHBondContact O-N 3.28Å; P124-A128 WeakPolarHBondContact O-CB 3.39Å; P124-A128 PolarHBondContact O-N 3.03Å |
| 125 | M | 97.5 | Very high | 97 | Very high | 86 Ų | 86 | 31.8 Ų | 31.8 | 42% | 0.424 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.5 | -29.9 | 177.6 | -64.9 | -56.6 | -62 | 0 | 0 | 114 | M33 H123 G129 | M33-M125 HydrophobicContact CB-CB 3.98Å; M33-M125 HydrophobicContact CG-CB 4.31Å; H123-M125 VanDerWaalsContact C-N 3.32Å; H123-M125 PolarHBondContact ND1-N 2.95Å; H123-M125 VanDerWaalsContact ND1-N 3.13Å; H123-M125 PolarHBondContact O-N 3.48Å; M125-G129 PolarHBondContact O-N 3.2Å |
| 126 | V | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69 | -47.4 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 108.6 | G29 M33 P119 H123 P124 G129 Q130 | G29-V126 WeakPolarHBondContact CA-O 3.33Å; M33-V126 HydrophobicContact CB-CG2 3.85Å; M33-V126 HydrophobicContact CG-CG2 4.17Å; P119-V126 HydrophobicContact CG-CG2 4.42Å; H123-V126 HydrophobicContact CB-CB 4.15Å; H123-V126 HydrophobicContact CB-CG2 3.89Å; H123-V126 WeakPolarHBondContact O-CA 3.47Å; H123-V126 WeakPolarHBondContact O-CB 3.38Å; H123-V126 PolarHBondContact O-N 2.96Å; P124-V126 PolarHBondContact O-N 3.15Å; V126-G129 PolarHBondContact O-N 3.27Å; V126-Q130 HydrophobicContact CG1-CG 4.49Å; V126-Q130 WeakPolarHBondContact O-CG 3.31Å; V126-Q130 PolarHBondContact O-N 2.69Å |
| 127 | I | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 176.3 | -63.1 | 167.7 | 0 | 0 | 0 | 110.5 | F121 H123 P124 G129 Q130 G131 A158 G159 E214 T215 L218 | F121-I127 WeakPolarHBondContact O-CG1 3.44Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.11Å; P124-I127 PolarHBondContact O-N 3.28Å; I127-G129 VanDerWaalsContact C-N 3.34Å; I127-G129 PolarHBondContact O-N 3.24Å; I127-Q130 PolarHBondContact O-N 3.42Å; I127-G131 PolarHBondContact O-N 3.05Å; I127-A158 HydrophobicContact CG2-CB 3.87Å; I127-G159 WeakPolarHBondContact O-CA 3.41Å; I127-E214 HydrophobicContact CD1-CB 4.39Å; I127-E214 HydrophobicContact CD1-CG 3.77Å; I127-T215 HydrophobicContact CD1-CG2 3.7Å; I127-T215 HydrophobicContact CG1-CG2 4Å; I127-L218 HydrophobicContact CD1-CD1 4.03Å; I127-L218 HydrophobicContact CG2-CD1 3.95Å |
| 128 | A | 97.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 31.1 Ų | 31.1 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P124 G131 T132 | P124-A128 WeakPolarHBondContact O-CB 3.39Å; P124-A128 PolarHBondContact O-N 3.03Å; A128-G131 PolarHBondContact O-N 3.25Å; A128-T132 PolarHBondContact O-N 3.48Å |
| 129 | G | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R28 M125 V126 I127 G131 T132 | R28-G129 WeakPolarHBondContact CB-O 3.35Å; M125-G129 PolarHBondContact O-N 3.2Å; V126-G129 PolarHBondContact O-N 3.27Å; I127-G129 VanDerWaalsContact C-N 3.34Å; I127-G129 PolarHBondContact O-N 3.24Å; G129-G131 VanDerWaalsContact C-N 3.27Å; G129-G131 PolarHBondContact O-N 2.93Å; G129-T132 WeakPolarHBondContact O-CB 3.26Å; G129-T132 WeakPolarHBondContact O-CG2 3.32Å; G129-T132 PolarHBondContact O-N 2.96Å; G129-T132 PolarHBondContact O-OG1 3.47Å |
| 130 | Q | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -35 | 175.7 | -47.9 | -40 | -5.6 | 0 | 0 | 112.1 | F25 G29 V126 I127 T132 L133 L156 | F25-Q130 HydrophobicContact CD2-CG 4.19Å; F25-Q130 HydrophobicContact CE2-CG 4.07Å; F25-Q130 PolarHBondContact O-OE1 2.73Å; G29-Q130 VanDerWaalsContact CA-NE2 3.32Å; V126-Q130 HydrophobicContact CG1-CG 4.49Å; V126-Q130 WeakPolarHBondContact O-CG 3.31Å; V126-Q130 PolarHBondContact O-N 2.69Å; I127-Q130 PolarHBondContact O-N 3.42Å; Q130-T132 PolarHBondContact O-N 3.07Å; Q130-L133 WeakPolarHBondContact O-CB 3.18Å; Q130-L133 PolarHBondContact O-N 2.9Å; Q130-L156 HydrophobicContact CB-CD1 4.08Å |
| 131 | G | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -20.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I127 A128 G129 L133 A134 G159 | I127-G131 PolarHBondContact O-N 3.05Å; A128-G131 PolarHBondContact O-N 3.25Å; G129-G131 VanDerWaalsContact C-N 3.27Å; G129-G131 PolarHBondContact O-N 2.93Å; G131-L133 PolarHBondContact O-N 3.2Å; G131-L133 VanDerWaalsContact O-N 3.12Å; G131-A134 WeakPolarHBondContact O-CB 3.14Å; G131-A134 PolarHBondContact O-N 3.33Å; G131-G159 VanDerWaalsContact CA-C 3.47Å; G131-G159 WeakPolarHBondContact CA-O 3.26Å |
| 132 | T | 97.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 44 Ų | 44 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.8 | -27.1 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 113 | R28 A128 G129 Q130 A134 L135 E136 | R28-T132 PolarHBondContact NH1-OG1 2.93Å; A128-T132 PolarHBondContact O-N 3.48Å; G129-T132 WeakPolarHBondContact O-CB 3.26Å; G129-T132 WeakPolarHBondContact O-CG2 3.32Å; G129-T132 PolarHBondContact O-N 2.96Å; G129-T132 PolarHBondContact O-OG1 3.47Å; Q130-T132 PolarHBondContact O-N 3.07Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 2.83Å; T132-L135 WeakPolarHBondContact O-CB 3.47Å; T132-L135 PolarHBondContact O-N 3.06Å; T132-E136 PolarHBondContact O-N 3.15Å |
| 133 | L | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 172.6 | 178.7 | 163.6 | 0 | 0 | 0 | 111.9 | K15 E17 Q130 G131 L135 E136 L137 L156 V160 I277 | K15-L133 HydrophobicContact CG-CD1 4.21Å; K15-L133 HydrophobicContact CG-CD2 3.81Å; K15-L133 HydrophobicContact CG-CG 3.87Å; E17-L133 HydrophobicContact CG-CD1 3.28Å; E17-L133 HydrophobicContact CG-CG 4.24Å; Q130-L133 WeakPolarHBondContact O-CB 3.18Å; Q130-L133 PolarHBondContact O-N 2.9Å; G131-L133 PolarHBondContact O-N 3.2Å; G131-L133 VanDerWaalsContact O-N 3.12Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 3.39Å; L133-E136 PolarHBondContact O-N 2.69Å; L133-L137 WeakPolarHBondContact O-CB 3.39Å; L133-L137 PolarHBondContact O-N 3.36Å; L133-L156 HydrophobicContact CD1-CD1 4.1Å; L133-V160 HydrophobicContact CD2-CG2 4.19Å; L133-I277 HydrophobicContact CD1-CD1 4.01Å; L133-I277 HydrophobicContact CD1-CG1 4.43Å; L133-I277 HydrophobicContact CD1-CG2 3.87Å; L133-I277 HydrophobicContact CD2-CD1 3.62Å; L133-I277 HydrophobicContact CD2-CG1 4.08Å |
| 134 | A | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.2 | -33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G131 T132 L137 L138 V160 L163 I164 | G131-A134 WeakPolarHBondContact O-CB 3.14Å; G131-A134 PolarHBondContact O-N 3.33Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 2.83Å; A134-L137 PolarHBondContact O-N 3.36Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.32Å; A134-V160 HydrophobicContact CB-CB 4.33Å; A134-V160 HydrophobicContact CB-CG1 4.14Å; A134-V160 HydrophobicContact CB-CG2 4.26Å; A134-L163 VanDerWaalsContact C-CD2 3.48Å; A134-L163 HydrophobicContact CB-CB 4.08Å; A134-L163 HydrophobicContact CB-CD2 3.53Å; A134-L163 HydrophobicContact CB-CG 4.44Å; A134-I164 HydrophobicContact CB-CD1 4.4Å; A134-I164 HydrophobicContact CB-CG1 3.97Å |
| 135 | L | 96.5 | Very high | 96.7 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.3 | -177.5 | 64.1 | 0 | 0 | 0 | 110.1 | T132 L133 L137 L138 Q139 L163 L167 | T132-L135 WeakPolarHBondContact O-CB 3.47Å; T132-L135 PolarHBondContact O-N 3.06Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 3.39Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-L137 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.19Å; L135-Q139 WeakPolarHBondContact O-CB 3.3Å; L135-Q139 VanDerWaalsContact O-CG 3.25Å; L135-Q139 WeakPolarHBondContact O-CG 3.43Å; L135-Q139 PolarHBondContact O-N 3.09Å; L135-L163 VanDerWaalsContact CA-CD2 3.47Å; L135-L163 HydrophobicContact CB-CD2 3.72Å; L135-L167 HydrophobicContact CD1-CD1 4.15Å |
| 136 | E | 97.5 | Very high | 96.8 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.6 | -63.4 | 172.3 | -162.2 | 0 | 0 | 111.8 | K15 R28 T132 L133 Q139 Q140 | K15-E136 WeakPolarHBondContact CE-OE2 3.34Å; K15-E136 IonicContact NZ-OE2 3.16Å; K15-E136 PolarHBondContact NZ-OE2 2.93Å; R28-E136 IonicContact CZ-OE1 2.65Å; R28-E136 VanDerWaalsContact CZ-OE1 3.27Å; R28-E136 IonicContact CZ-OE2 2.77Å; R28-E136 IonicContact NH1-OE1 2.75Å; R28-E136 PolarHBondContact NH1-OE1 3.3Å; R28-E136 IonicContact NH1-OE2 3.88Å; R28-E136 IonicContact NH2-OE1 3.32Å; R28-E136 PolarHBondContact NH2-OE1 2.98Å; R28-E136 IonicContact NH2-OE2 3.69Å; R28-E136 PolarHBondContact NH2-OE2 3.36Å; T132-E136 PolarHBondContact O-N 3.15Å; L133-E136 PolarHBondContact O-N 2.69Å; E136-Q139 PolarHBondContact O-N 2.99Å; E136-Q140 VanDerWaalsContact O-CB 3.32Å; E136-Q140 WeakPolarHBondContact O-CB 3.45Å; E136-Q140 WeakPolarHBondContact O-CG 3.47Å; E136-Q140 PolarHBondContact O-N 2.79Å; E136-Q140 PolarHBondContact O-OE1 3.07Å |
| 137 | L | 96.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 178.7 | 177.8 | 134 | 0 | 0 | 0 | 111.5 | K15 L133 A134 L135 Q140 D141 L144 V147 I164 A275 | K15-L137 HydrophobicContact CB-CD1 4.19Å; K15-L137 HydrophobicContact CG-CD1 4.48Å; L133-L137 WeakPolarHBondContact O-CB 3.39Å; L133-L137 PolarHBondContact O-N 3.36Å; A134-L137 PolarHBondContact O-N 3.36Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-L137 PolarHBondContact O-N 3.18Å; L137-Q140 PolarHBondContact O-N 3.31Å; L137-D141 PolarHBondContact O-N 3.12Å; L137-L144 HydrophobicContact CD1-CD1 4.29Å; L137-L144 HydrophobicContact CD2-CD1 3.28Å; L137-L144 HydrophobicContact CG-CD1 3.68Å; L137-V147 HydrophobicContact CD1-CG1 4.34Å; L137-V147 HydrophobicContact CD2-CG2 3.77Å; L137-I164 HydrophobicContact CD2-CD1 4.39Å; L137-A275 HydrophobicContact CD1-CB 4Å |
| 138 | L | 95.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -33.6 | 176.5 | -62 | -179.2 | 0 | 0 | 0 | 112.9 | A134 L135 Q140 D141 I164 L167 M168 I171 | A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.32Å; L135-L138 PolarHBondContact O-N 3.19Å; L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-D141 CarbonylContact O-C 3.6Å; L138-I164 HydrophobicContact CD1-CG1 4.42Å; L138-I164 HydrophobicContact CD2-CG1 4.49Å; L138-L167 HydrophobicContact CD1-CB 3.95Å; L138-L167 HydrophobicContact CD1-CD1 3.99Å; L138-M168 HydrophobicContact CD1-CG 4.44Å; L138-M168 HydrophobicContact CD1-SD 4.36Å; L138-M168 HydrophobicContact CD2-SD 3.82Å; L138-M168 HydrophobicContact CG-SD 4.46Å; L138-I171 HydrophobicContact CD2-CD1 3.39Å |
| 139 | Q | 96 | Very high | 96.8 | Very high | 142 Ų | 142 | 39.6 Ų | 39.6 | 66% | 0.664 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.7 | -31.6 | 172.9 | -76.2 | 173.9 | -9.7 | 0 | 0 | 112.4 | L135 E136 | L135-Q139 WeakPolarHBondContact O-CB 3.3Å; L135-Q139 VanDerWaalsContact O-CG 3.25Å; L135-Q139 WeakPolarHBondContact O-CG 3.43Å; L135-Q139 PolarHBondContact O-N 3.09Å; E136-Q139 PolarHBondContact O-N 2.99Å |
| 140 | Q | 96.2 | Very high | 96.8 | Very high | 140 Ų | 140 | 39.7 Ų | 39.7 | 65% | 0.654 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -83.3 | -38.1 | -179.4 | -73 | 172.2 | -41 | 0 | 0 | 112.4 | E136 L137 L138 | E136-Q140 VanDerWaalsContact O-CB 3.32Å; E136-Q140 WeakPolarHBondContact O-CB 3.45Å; E136-Q140 WeakPolarHBondContact O-CG 3.47Å; E136-Q140 PolarHBondContact O-N 2.79Å; E136-Q140 PolarHBondContact O-OE1 3.07Å; L137-Q140 PolarHBondContact O-N 3.31Å; L138-Q140 VanDerWaalsContact C-N 3.28Å |
| 141 | D | 93.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | trans | -151.5 | 105.6 | 176.1 | -166.5 | -20.3 | 0 | 0 | 0 | 111.2 | L13 L137 L138 H143 L144 R273 | L13-D141 HydrophobicContact CD1-CB 4.41Å; L13-D141 VanDerWaalsContact CD1-OD2 3.23Å; L13-D141 WeakPolarHBondContact CD1-OD2 3.37Å; L137-D141 PolarHBondContact O-N 3.12Å; L138-D141 CarbonylContact O-C 3.6Å; D141-H143 VanDerWaalsContact C-N 3.3Å; D141-H143 WeakPolarHBondContact OD1-CA 3.31Å; D141-H143 WeakPolarHBondContact OD1-CB 3.48Å; D141-H143 IonicContact OD1-CD2 3.93Å; D141-H143 PolarHBondContact OD1-N 2.66Å; D141-L144 HydrophobicContact CB-CD2 4.46Å; D141-L144 HydrophobicContact CB-CG 4.21Å; D141-L144 WeakPolarHBondContact O-CD1 3.33Å; D141-L144 WeakPolarHBondContact O-CG 3.46Å; D141-R273 IonicContact OD1-NE 3.8Å; D141-R273 IonicContact OD2-CZ 3.34Å; D141-R273 IonicContact OD2-NE 3.1Å; D141-R273 PolarHBondContact OD2-NE 3.47Å; D141-R273 VanDerWaalsContact OD2-NE 3.1Å; D141-R273 IonicContact OD2-NH2 2.72Å; D141-R273 PolarHBondContact OD2-NH2 3.43Å | ||
| 142 | A | 92 | Very high | 96.7 | Very high | 49 Ų | 49 | 40 Ų | 40 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 11.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M168 | A142-M168 HydrophobicContact CB-CE 4.19Å; A142-M168 HydrophobicContact CB-SD 4.08Å; A142-M168 WeakPolarHBondContact O-CE 3.48Å |
| 143 | H | 95.1 | Very high | 96.6 | Very high | 146 Ų | 146 | 37.6 Ų | 37.6 | 68% | 0.676 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 13.2 | 178.2 | -59.2 | -66.8 | 0 | 0 | 0 | 112.8 | D141 R273 | D141-H143 VanDerWaalsContact C-N 3.3Å; D141-H143 WeakPolarHBondContact OD1-CA 3.31Å; D141-H143 WeakPolarHBondContact OD1-CB 3.48Å; D141-H143 IonicContact OD1-CD2 3.93Å; D141-H143 PolarHBondContact OD1-N 2.66Å; H143-R273 WeakPolarHBondContact O-CD 3.39Å |
| 144 | L | 97.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | trans | -64.2 | 135.5 | 178.3 | -65.8 | 172.3 | 0 | 0 | 0 | 111.1 | L13 L137 D141 V147 I171 R273 A275 | L13-L144 HydrophobicContact CD1-CD2 3.73Å; L137-L144 HydrophobicContact CD1-CD1 4.29Å; L137-L144 HydrophobicContact CD2-CD1 3.28Å; L137-L144 HydrophobicContact CG-CD1 3.68Å; D141-L144 HydrophobicContact CB-CD2 4.46Å; D141-L144 HydrophobicContact CB-CG 4.21Å; D141-L144 WeakPolarHBondContact O-CD1 3.33Å; D141-L144 WeakPolarHBondContact O-CG 3.46Å; L144-V147 HydrophobicContact CD1-CG2 4.2Å; L144-I171 HydrophobicContact CB-CD1 4.22Å; L144-I171 HydrophobicContact CB-CG2 4.44Å; L144-I171 VanDerWaalsContact O-CG1 3.31Å; L144-I171 WeakPolarHBondContact O-CG1 3.38Å; L144-R273 HydrophobicContact CD2-CB 4.46Å; L144-A275 HydrophobicContact CD1-CB 3.99Å; L144-A275 HydrophobicContact CD2-CB 3.77Å | ||
| 145 | D | 98.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.353 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -88.6 | -40.5 | 172.5 | -62.5 | -68.4 | 0 | 0 | 0 | 110.6 | K172 E272 R273 | D145-K172 PolarHBondContact O-N 3.39Å; D145-E272 HydrophobicContact CB-CB 4.15Å; D145-E272 HydrophobicContact CB-CG 4.29Å; D145-E272 VanDerWaalsContact CB-OE2 3.29Å; D145-E272 WeakPolarHBondContact CB-OE2 3.43Å; D145-E272 WeakPolarHBondContact OD2-CA 3.12Å; D145-E272 WeakPolarHBondContact OD2-CB 3.28Å; D145-R273 PolarHBondContact N-O 3.21Å; D145-R273 PolarHBondContact OD2-N 3.39Å |
| 146 | R | 98.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.5 | -177.9 | -44.7 | -167.7 | 168.6 | 95.3 | 25.1 | 113.6 | F148 K172 I269 E272 L274 A275 | R146-F148 HydrophobicContact CB-CE2 3.99Å; R146-K172 CarbonylContact C-O 3.13Å; R146-K172 VanDerWaalsContact CA-O 3.24Å; R146-K172 WeakPolarHBondContact CA-O 3.32Å; R146-K172 HydrophobicContact CB-CB 4.47Å; R146-K172 HydrophobicContact CG-CB 4.11Å; R146-I269 VanDerWaalsContact NH1-CG1 3.26Å; R146-E272 VanDerWaalsContact CZ-CD 3.47Å; R146-E272 IonicContact CZ-OE1 3.02Å; R146-E272 IonicContact CZ-OE2 3.16Å; R146-E272 IonicContact NE-OE2 2.92Å; R146-E272 IonicContact NH1-OE1 3.8Å; R146-E272 PolarHBondContact NH1-OE1 2.99Å; R146-E272 IonicContact NH1-OE2 2.8Å; R146-E272 PolarHBondContact NH1-OE2 3.07Å; R146-E272 IonicContact NH2-OE1 3.19Å; R146-E272 PolarHBondContact NH2-OE1 3.06Å; R146-E272 IonicContact NH2-OE2 2.73Å; R146-E272 PolarHBondContact NH2-OE2 2.94Å; R146-E272 VanDerWaalsContact NH2-OE2 3.16Å; R146-L274 HydrophobicContact CB-CD2 3.7Å; R146-L274 HydrophobicContact CG-CD2 3.72Å; R146-A275 PolarHBondContact O-N 3.39Å |
| 147 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.7 | 174 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | L137 L144 V149 V160 I164 I171 K172 V173 I174 A275 | L137-V147 HydrophobicContact CD1-CG1 4.34Å; L137-V147 HydrophobicContact CD2-CG2 3.77Å; L144-V147 HydrophobicContact CD1-CG2 4.2Å; V147-V149 HydrophobicContact CG1-CG2 4.01Å; V147-V160 HydrophobicContact CG1-CG1 4.32Å; V147-I164 HydrophobicContact CB-CD1 4.09Å; V147-I164 HydrophobicContact CG1-CD1 4.35Å; V147-I164 HydrophobicContact CG2-CD1 3.78Å; V147-I171 HydrophobicContact CG2-CG2 3.87Å; V147-K172 PolarHBondContact N-O 3.1Å; V147-V173 WeakPolarHBondContact O-CA 3.45Å; V147-I174 PolarHBondContact O-N 2.87Å; V147-A275 CarbonylContact C-O 3.5Å; V147-A275 WeakPolarHBondContact CA-O 3.43Å; V147-A275 HydrophobicContact CG2-CB 4.45Å |
| 148 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.8 | 177.7 | -67.1 | -97.8 | 0 | 0 | 0 | 110.3 | R146 I174 V176 A256 M260 Y263 L274 A275 H276 I277 | R146-F148 HydrophobicContact CB-CE2 3.99Å; F148-I174 WeakPolarHBondContact CA-O 3.32Å; F148-I174 HydrophobicContact CD1-CB 3.72Å; F148-I174 HydrophobicContact CD1-CG1 4.3Å; F148-I174 HydrophobicContact CD1-CG2 3.9Å; F148-I174 HydrophobicContact CE1-CB 3.75Å; F148-I174 HydrophobicContact CE1-CG1 3.92Å; F148-I174 HydrophobicContact CE1-CG2 3.75Å; F148-I174 HydrophobicContact CG-CB 4.36Å; F148-I174 HydrophobicContact CZ-CB 4.42Å; F148-I174 HydrophobicContact CZ-CG1 4.11Å; F148-V176 HydrophobicContact CB-CG2 4.22Å; F148-V176 HydrophobicContact CD1-CG2 4.01Å; F148-A256 HydrophobicContact CB-CB 4.23Å; F148-A256 WeakPolarHBondContact O-CB 3.27Å; F148-M260 HydrophobicContact CB-CB 4.32Å; F148-M260 HydrophobicContact CB-CE 4.49Å; F148-M260 HydrophobicContact CD1-CB 3.93Å; F148-M260 HydrophobicContact CD2-CB 3.75Å; F148-M260 HydrophobicContact CD2-CE 3.41Å; F148-M260 VanDerWaalsContact CD2-CE 3.41Å; F148-M260 HydrophobicContact CD2-CG 3.79Å; F148-M260 HydrophobicContact CD2-SD 4.47Å; F148-M260 HydrophobicContact CE1-CB 4.16Å; F148-M260 HydrophobicContact CE2-CB 3.97Å; F148-M260 HydrophobicContact CE2-CE 3.95Å; F148-M260 HydrophobicContact CE2-CG 3.68Å; F148-M260 HydrophobicContact CG-CB 3.72Å; F148-M260 HydrophobicContact CG-CE 4.22Å; F148-M260 HydrophobicContact CG-CG 4.29Å; F148-M260 HydrophobicContact CZ-CB 4.16Å; F148-M260 HydrophobicContact CZ-CG 4.12Å; F148-Y263 AromaticContact CE1-CD1 3.97Å; F148-Y263 HydrophobicContact CE1-CD1 3.97Å; F148-Y263 HydrophobicContact CE1-CD2 4.33Å; F148-Y263 AromaticContact CE1-CG 3.7Å; F148-Y263 HydrophobicContact CE1-CG 3.7Å; F148-Y263 AromaticContact CZ-CD1 3.69Å; F148-Y263 HydrophobicContact CZ-CD1 3.69Å; F148-Y263 HydrophobicContact CZ-CE1 4.49Å; F148-Y263 AromaticContact CZ-CG 3.91Å; F148-Y263 HydrophobicContact CZ-CG 3.91Å; F148-L274 HydrophobicContact CE2-CB 4.49Å; F148-A275 PolarHBondContact N-O 3.16Å; F148-H276 HydrophobicContact CB-CB 4.23Å; F148-I277 PolarHBondContact O-N 2.83Å |
| 149 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.7 | -171.5 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | V147 L156 A157 V160 V173 I174 V176 I277 | V147-V149 HydrophobicContact CG1-CG2 4.01Å; V149-L156 HydrophobicContact CG1-CB 4.4Å; V149-L156 HydrophobicContact CG1-CD2 3.91Å; V149-L156 HydrophobicContact CG1-CG 3.67Å; V149-A157 HydrophobicContact CB-CB 4.4Å; V149-A157 HydrophobicContact CG1-CB 3.93Å; V149-V160 HydrophobicContact CG2-CB 4.21Å; V149-V160 HydrophobicContact CG2-CG1 3.73Å; V149-V173 HydrophobicContact CG2-CG1 3.87Å; V149-I174 PolarHBondContact N-O 3.36Å; V149-V176 PolarHBondContact O-N 3.47Å; V149-I277 HydrophobicContact CB-CD1 4.31Å; V149-I277 HydrophobicContact CG1-CD1 3.98Å; V149-I277 HydrophobicContact CG2-CD1 3.86Å |
| 150 | P | 98.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.039 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.9 | 177.6 | 30.3 | -28.5 | 0 | 0 | 0 | 110.6 | L156 V176 L255 A256 | P150-L156 HydrophobicContact CG-CD2 4.01Å; P150-V176 WeakPolarHBondContact CA-O 3.48Å; P150-L255 HydrophobicContact CB-CB 4.08Å; P150-L255 HydrophobicContact CB-CD2 3.82Å; P150-L255 HydrophobicContact CB-CG 4.23Å; P150-A256 HydrophobicContact CG-CB 4.47Å |
| 151 | V | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | trans | -117.7 | 122.7 | -178.1 | 178.4 | 0 | 0 | 0 | 0 | 110 | A157 A175 V176 E177 L184 V206 | V151-A157 HydrophobicContact CG2-CB 3.64Å; V151-A175 HydrophobicContact CG2-CB 3.63Å; V151-V176 PolarHBondContact N-O 2.94Å; V151-E177 HydrophobicContact CB-CG 3.73Å; V151-E177 HydrophobicContact CG1-CG 4.06Å; V151-L184 HydrophobicContact CG1-CB 3.93Å; V151-L184 HydrophobicContact CG1-CD2 4.03Å; V151-L184 HydrophobicContact CG2-CD2 4.14Å; V151-V206 WeakPolarHBondContact O-CB 3.39Å; V151-V206 WeakPolarHBondContact O-CG1 3.44Å | ||
| 152 | G | 94.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -112.1 | -103.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G154 C183 | G152-G154 PolarHBondContact O-N 2.67Å; G152-C183 PolarHBondContact O-SG 3.46Å |
| 153 | G | 94.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 18 Ų | 18 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -72.2 | 9.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116 | F121 G155 T215 | F121-G153 WeakPolarHBondContact CD2-O 3.24Å; G153-G155 VanDerWaalsContact C-N 3.34Å; G153-G155 PolarHBondContact O-N 3.41Å; G153-T215 WeakPolarHBondContact O-CB 3.43Å; G153-T215 WeakPolarHBondContact O-CG2 3.43Å; G153-T215 PolarHBondContact O-OG1 2.76Å |
| 154 | G | 97.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 80.8 | -10.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | G152 L156 A157 A158 | G152-G154 PolarHBondContact O-N 2.67Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 3.08Å; G154-A157 PolarHBondContact O-N 2.94Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 3.39Å |
| 155 | G | 97.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 4% | 0.041 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -37.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G153 G159 | G153-G155 VanDerWaalsContact C-N 3.34Å; G153-G155 PolarHBondContact O-N 3.41Å; G155-G159 PolarHBondContact O-N 3.46Å |
| 156 | L | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.2 | -49.5 | 175 | 178.3 | 61.3 | 0 | 0 | 0 | 111.6 | F25 Q130 L133 V149 P150 G154 G159 V160 I277 | F25-L156 HydrophobicContact CD1-CD2 4.05Å; F25-L156 HydrophobicContact CD2-CB 4.36Å; F25-L156 HydrophobicContact CD2-CD1 3.94Å; F25-L156 HydrophobicContact CD2-CD2 4.37Å; F25-L156 HydrophobicContact CD2-CG 4.45Å; F25-L156 HydrophobicContact CE1-CD2 3.89Å; F25-L156 HydrophobicContact CE2-CB 3.73Å; F25-L156 HydrophobicContact CE2-CD1 4.18Å; F25-L156 HydrophobicContact CE2-CD2 4.21Å; F25-L156 HydrophobicContact CE2-CG 4.25Å; F25-L156 HydrophobicContact CG-CD1 4.3Å; F25-L156 HydrophobicContact CG-CD2 4.3Å; F25-L156 HydrophobicContact CZ-CB 3.88Å; F25-L156 HydrophobicContact CZ-CD2 3.96Å; F25-L156 HydrophobicContact CZ-CG 4.4Å; Q130-L156 HydrophobicContact CB-CD1 4.08Å; L133-L156 HydrophobicContact CD1-CD1 4.1Å; V149-L156 HydrophobicContact CG1-CB 4.4Å; V149-L156 HydrophobicContact CG1-CD2 3.91Å; V149-L156 HydrophobicContact CG1-CG 3.67Å; P150-L156 HydrophobicContact CG-CD2 4.01Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 3.08Å; L156-G159 PolarHBondContact O-N 3.16Å; L156-V160 HydrophobicContact CD1-CG2 3.95Å; L156-V160 HydrophobicContact CG-CG2 4.46Å; L156-V160 WeakPolarHBondContact O-CB 3.18Å; L156-V160 VanDerWaalsContact O-CG2 3.32Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.82Å; L156-I277 HydrophobicContact CD2-CD1 4.44Å; L156-I277 HydrophobicContact CD2-CG2 4.3Å |
| 157 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V149 V151 G154 G159 V160 A161 L223 | V149-A157 HydrophobicContact CB-CB 4.4Å; V149-A157 HydrophobicContact CG1-CB 3.93Å; V151-A157 HydrophobicContact CG2-CB 3.64Å; G154-A157 PolarHBondContact O-N 2.94Å; A157-G159 PolarHBondContact O-N 3.32Å; A157-V160 PolarHBondContact O-N 3.05Å; A157-A161 WeakPolarHBondContact O-CB 3.34Å; A157-A161 PolarHBondContact O-N 3.11Å; A157-L223 HydrophobicContact CB-CD2 4.5Å |
| 158 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I127 G154 V160 A161 V162 T215 L218 | I127-A158 HydrophobicContact CG2-CB 3.87Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 3.39Å; A158-V160 PolarHBondContact O-N 3.45Å; A158-A161 PolarHBondContact O-N 3.49Å; A158-V162 WeakPolarHBondContact O-CB 3.5Å; A158-V162 WeakPolarHBondContact O-CG2 3.27Å; A158-V162 PolarHBondContact O-N 3.04Å; A158-T215 HydrophobicContact CB-CG2 4.46Å; A158-L218 HydrophobicContact CB-CB 3.85Å; A158-L218 HydrophobicContact CB-CD1 4.02Å |
| 159 | G | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I127 G131 G155 L156 A157 L163 | I127-G159 WeakPolarHBondContact O-CA 3.41Å; G131-G159 VanDerWaalsContact CA-C 3.47Å; G131-G159 WeakPolarHBondContact CA-O 3.26Å; G155-G159 PolarHBondContact O-N 3.46Å; L156-G159 PolarHBondContact O-N 3.16Å; A157-G159 PolarHBondContact O-N 3.32Å; G159-L163 WeakPolarHBondContact O-CB 3.29Å; G159-L163 PolarHBondContact O-N 3.34Å |
| 160 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L133 A134 V147 V149 L156 A157 A158 L163 I164 V173 I277 | L133-V160 HydrophobicContact CD2-CG2 4.19Å; A134-V160 HydrophobicContact CB-CB 4.33Å; A134-V160 HydrophobicContact CB-CG1 4.14Å; A134-V160 HydrophobicContact CB-CG2 4.26Å; V147-V160 HydrophobicContact CG1-CG1 4.32Å; V149-V160 HydrophobicContact CG2-CB 4.21Å; V149-V160 HydrophobicContact CG2-CG1 3.73Å; L156-V160 HydrophobicContact CD1-CG2 3.95Å; L156-V160 HydrophobicContact CG-CG2 4.46Å; L156-V160 WeakPolarHBondContact O-CB 3.18Å; L156-V160 VanDerWaalsContact O-CG2 3.32Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.82Å; A157-V160 PolarHBondContact O-N 3.05Å; A158-V160 PolarHBondContact O-N 3.45Å; V160-L163 PolarHBondContact O-N 3.26Å; V160-I164 HydrophobicContact CG1-CD1 3.6Å; V160-I164 HydrophobicContact CG1-CG1 4.33Å; V160-I164 WeakPolarHBondContact O-CB 3.22Å; V160-I164 VanDerWaalsContact O-CG1 3.32Å; V160-I164 WeakPolarHBondContact O-CG1 3.37Å; V160-I164 PolarHBondContact O-N 2.81Å; V160-V173 HydrophobicContact CG1-CG1 4.22Å; V160-I277 HydrophobicContact CG2-CD1 4.04Å |
| 161 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A157 A158 L163 I164 K165 V173 L223 | A157-A161 WeakPolarHBondContact O-CB 3.34Å; A157-A161 PolarHBondContact O-N 3.11Å; A158-A161 PolarHBondContact O-N 3.49Å; A161-L163 PolarHBondContact O-N 2.87Å; A161-I164 PolarHBondContact O-N 2.89Å; A161-K165 WeakPolarHBondContact O-CB 3.13Å; A161-K165 VanDerWaalsContact O-CG 3.25Å; A161-K165 WeakPolarHBondContact O-CG 3.29Å; A161-K165 PolarHBondContact O-N 2.96Å; A161-V173 HydrophobicContact CB-CB 4.43Å; A161-V173 HydrophobicContact CB-CG1 4.14Å; A161-L223 HydrophobicContact CB-CD2 3.85Å; A161-L223 HydrophobicContact CB-CG 4.39Å |
| 162 | V | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 24% | 0.242 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.5 | -52.4 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | A158 I164 K165 Q166 L218 Y222 | A158-V162 WeakPolarHBondContact O-CB 3.5Å; A158-V162 WeakPolarHBondContact O-CG2 3.27Å; A158-V162 PolarHBondContact O-N 3.04Å; V162-I164 PolarHBondContact O-N 3.46Å; V162-K165 PolarHBondContact O-N 3.38Å; V162-Q166 HydrophobicContact CG1-CG 4.39Å; V162-Q166 WeakPolarHBondContact O-CB 3.5Å; V162-Q166 WeakPolarHBondContact O-CG 3.43Å; V162-Q166 PolarHBondContact O-N 3.27Å; V162-L218 HydrophobicContact CG2-CB 4.3Å; V162-L218 HydrophobicContact CG2-CD1 4.21Å; V162-L218 HydrophobicContact CG2-CD2 3.76Å; V162-L218 HydrophobicContact CG2-CG 4.32Å; V162-Y222 HydrophobicContact CG2-CD2 3.54Å; V162-Y222 HydrophobicContact CG2-CE2 3.76Å; V162-Y222 HydrophobicContact CG2-CG 4.24Å |
| 163 | L | 97.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | -174.7 | -164.3 | 112.5 | 0 | 0 | 0 | 112.5 | A134 L135 G159 V160 A161 Q166 L167 | A134-L163 VanDerWaalsContact C-CD2 3.48Å; A134-L163 HydrophobicContact CB-CB 4.08Å; A134-L163 HydrophobicContact CB-CD2 3.53Å; A134-L163 HydrophobicContact CB-CG 4.44Å; L135-L163 VanDerWaalsContact CA-CD2 3.47Å; L135-L163 HydrophobicContact CB-CD2 3.72Å; G159-L163 WeakPolarHBondContact O-CB 3.29Å; G159-L163 PolarHBondContact O-N 3.34Å; V160-L163 PolarHBondContact O-N 3.26Å; A161-L163 PolarHBondContact O-N 2.87Å; L163-Q166 PolarHBondContact O-N 3.42Å; L163-L167 HydrophobicContact CD2-CD1 3.95Å; L163-L167 HydrophobicContact CG-CD1 4.02Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 2.75Å |
| 164 | I | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.2 | -70.7 | 178.4 | 0 | 0 | 0 | 110.5 | A134 L137 L138 V147 V160 A161 V162 Q166 L167 M168 I171 V173 | A134-I164 HydrophobicContact CB-CD1 4.4Å; A134-I164 HydrophobicContact CB-CG1 3.97Å; L137-I164 HydrophobicContact CD2-CD1 4.39Å; L138-I164 HydrophobicContact CD1-CG1 4.42Å; L138-I164 HydrophobicContact CD2-CG1 4.49Å; V147-I164 HydrophobicContact CB-CD1 4.09Å; V147-I164 HydrophobicContact CG1-CD1 4.35Å; V147-I164 HydrophobicContact CG2-CD1 3.78Å; V160-I164 HydrophobicContact CG1-CD1 3.6Å; V160-I164 HydrophobicContact CG1-CG1 4.33Å; V160-I164 WeakPolarHBondContact O-CB 3.22Å; V160-I164 VanDerWaalsContact O-CG1 3.32Å; V160-I164 WeakPolarHBondContact O-CG1 3.37Å; V160-I164 PolarHBondContact O-N 2.81Å; A161-I164 PolarHBondContact O-N 2.89Å; V162-I164 PolarHBondContact O-N 3.46Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 2.94Å; I164-L167 PolarHBondContact O-N 3.4Å; I164-M168 CarbonylContact O-C 3.5Å; I164-M168 WeakPolarHBondContact O-CA 3.45Å; I164-M168 PolarHBondContact O-N 3.22Å; I164-I171 HydrophobicContact CG2-CB 3.68Å; I164-I171 HydrophobicContact CG2-CD1 4.5Å; I164-I171 HydrophobicContact CG2-CG2 4.02Å; I164-V173 HydrophobicContact CB-CG2 3.96Å; I164-V173 HydrophobicContact CD1-CG2 3.79Å; I164-V173 HydrophobicContact CG1-CG2 4.45Å; I164-V173 HydrophobicContact CG2-CG2 3.8Å |
| 165 | K | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 32.5 Ų | 32.5 | 14% | 0.143 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -29.1 | -178.1 | -66.5 | -50.6 | -172.6 | -176.2 | 0 | 113.5 | A161 V162 P169 I171 Y222 D224 | A161-K165 WeakPolarHBondContact O-CB 3.13Å; A161-K165 VanDerWaalsContact O-CG 3.25Å; A161-K165 WeakPolarHBondContact O-CG 3.29Å; A161-K165 PolarHBondContact O-N 2.96Å; V162-K165 PolarHBondContact O-N 3.38Å; K165-P169 PolarHBondContact NZ-O 2.86Å; K165-I171 PolarHBondContact NZ-O 2.94Å; K165-Y222 HydrophobicContact CB-CD1 3.63Å; K165-Y222 HydrophobicContact CB-CE1 4.28Å; K165-Y222 HydrophobicContact CB-CG 4.5Å; K165-Y222 WeakPolarHBondContact CE-O 3.42Å; K165-Y222 HydrophobicContact CG-CD1 3.88Å; K165-Y222 HydrophobicContact CG-CG 4.43Å; K165-Y222 WeakPolarHBondContact CG-O 3.26Å; K165-D224 WeakPolarHBondContact CE-OD2 3.1Å; K165-D224 IonicContact NZ-OD1 3.79Å; K165-D224 PolarHBondContact NZ-OD1 2.93Å; K165-D224 IonicContact NZ-OD2 2.78Å; K165-D224 PolarHBondContact NZ-OD2 3.44Å |
| 166 | Q | 97 | Very high | 97.9 | Very high | 126 Ų | 126 | 32.3 Ų | 32.3 | 59% | 0.589 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -76.1 | -33.3 | 175.5 | -66.7 | -61.4 | -34.4 | 0 | 0 | 113.4 | V162 L163 I164 | V162-Q166 HydrophobicContact CG1-CG 4.39Å; V162-Q166 WeakPolarHBondContact O-CB 3.5Å; V162-Q166 WeakPolarHBondContact O-CG 3.43Å; V162-Q166 PolarHBondContact O-N 3.27Å; L163-Q166 PolarHBondContact O-N 3.42Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 2.94Å |
| 167 | L | 96.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 32 Ų | 32 | 52% | 0.518 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -98.4 | -38.3 | -175.3 | -63.6 | 177.2 | 0 | 0 | 0 | 113.4 | L135 L138 L163 I164 | L135-L167 HydrophobicContact CD1-CD1 4.15Å; L138-L167 HydrophobicContact CD1-CB 3.95Å; L138-L167 HydrophobicContact CD1-CD1 3.99Å; L163-L167 HydrophobicContact CD2-CD1 3.95Å; L163-L167 HydrophobicContact CG-CD1 4.02Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 2.75Å; I164-L167 PolarHBondContact O-N 3.4Å |
| 168 | M | 96.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | trans | -147.7 | 70.2 | -172.1 | -72.5 | -172.4 | 64.2 | 0 | 0 | 110.9 | L138 A142 I164 Q170 I171 | L138-M168 HydrophobicContact CD1-CG 4.44Å; L138-M168 HydrophobicContact CD1-SD 4.36Å; L138-M168 HydrophobicContact CD2-SD 3.82Å; L138-M168 HydrophobicContact CG-SD 4.46Å; A142-M168 HydrophobicContact CB-CE 4.19Å; A142-M168 HydrophobicContact CB-SD 4.08Å; A142-M168 WeakPolarHBondContact O-CE 3.48Å; I164-M168 CarbonylContact O-C 3.5Å; I164-M168 WeakPolarHBondContact O-CA 3.45Å; I164-M168 PolarHBondContact O-N 3.22Å; M168-Q170 PolarHBondContact O-N 3.44Å; M168-I171 HydrophobicContact CB-CD1 3.82Å; M168-I171 HydrophobicContact CB-CG1 4.02Å; M168-I171 HydrophobicContact CE-CD1 3.55Å; M168-I171 HydrophobicContact CE-CG1 4.04Å; M168-I171 PolarHBondContact O-N 2.99Å; M168-I171 VanDerWaalsContact O-N 3.08Å; M168-I171 HydrophobicContact SD-CD1 3.99Å | ||
| 169 | P | 96.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21 | -172.6 | 23.5 | -34.7 | 0 | 0 | 0 | 115.3 | K165 I171 | K165-P169 PolarHBondContact NZ-O 2.86Å; P169-I171 VanDerWaalsContact C-N 3.28Å; P169-I171 PolarHBondContact O-N 3.43Å |
| 170 | Q | 96.8 | Very high | 97.3 | Very high | 129 Ų | 129 | 39.2 Ų | 39.2 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.6 | 177.1 | 69.7 | -78.9 | 7.9 | 0 | 0 | 113.9 | M168 K172 | M168-Q170 PolarHBondContact O-N 3.44Å; Q170-K172 PolarHBondContact O-N 3.05Å |
| 171 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -74.6 | 127.6 | 177 | -54.7 | -176.3 | 0 | 0 | 0 | 108.2 | L138 L144 V147 I164 K165 M168 P169 | L138-I171 HydrophobicContact CD2-CD1 3.39Å; L144-I171 HydrophobicContact CB-CD1 4.22Å; L144-I171 HydrophobicContact CB-CG2 4.44Å; L144-I171 VanDerWaalsContact O-CG1 3.31Å; L144-I171 WeakPolarHBondContact O-CG1 3.38Å; V147-I171 HydrophobicContact CG2-CG2 3.87Å; I164-I171 HydrophobicContact CG2-CB 3.68Å; I164-I171 HydrophobicContact CG2-CD1 4.5Å; I164-I171 HydrophobicContact CG2-CG2 4.02Å; K165-I171 PolarHBondContact NZ-O 2.94Å; M168-I171 HydrophobicContact CB-CD1 3.82Å; M168-I171 HydrophobicContact CB-CG1 4.02Å; M168-I171 HydrophobicContact CE-CD1 3.55Å; M168-I171 HydrophobicContact CE-CG1 4.04Å; M168-I171 PolarHBondContact O-N 2.99Å; M168-I171 VanDerWaalsContact O-N 3.08Å; M168-I171 HydrophobicContact SD-CD1 3.99Å; P169-I171 VanDerWaalsContact C-N 3.28Å; P169-I171 PolarHBondContact O-N 3.43Å |
| 172 | K | 98.5 | Very high | 97 | Very high | 85 Ų | 85 | 40 Ų | 40 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.5 | 176.2 | -61.3 | -172.7 | 177.8 | -176.4 | 0 | 111.3 | D145 R146 V147 Q170 I174 D224 | D145-K172 PolarHBondContact O-N 3.39Å; R146-K172 CarbonylContact C-O 3.13Å; R146-K172 VanDerWaalsContact CA-O 3.24Å; R146-K172 WeakPolarHBondContact CA-O 3.32Å; R146-K172 HydrophobicContact CB-CB 4.47Å; R146-K172 HydrophobicContact CG-CB 4.11Å; V147-K172 PolarHBondContact N-O 3.1Å; Q170-K172 PolarHBondContact O-N 3.05Å; K172-I174 HydrophobicContact CB-CD1 3.93Å; K172-D224 VanDerWaalsContact CA-OD2 3.24Å; K172-D224 WeakPolarHBondContact CA-OD2 3.23Å; K172-D224 HydrophobicContact CB-CB 4.09Å; K172-D224 HydrophobicContact CG-CB 4.33Å |
| 173 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.3 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | V147 V149 V160 A161 I164 L223 D224 | V147-V173 WeakPolarHBondContact O-CA 3.45Å; V149-V173 HydrophobicContact CG2-CG1 3.87Å; V160-V173 HydrophobicContact CG1-CG1 4.22Å; A161-V173 HydrophobicContact CB-CB 4.43Å; A161-V173 HydrophobicContact CB-CG1 4.14Å; I164-V173 HydrophobicContact CB-CG2 3.96Å; I164-V173 HydrophobicContact CD1-CG2 3.79Å; I164-V173 HydrophobicContact CG1-CG2 4.45Å; I164-V173 HydrophobicContact CG2-CG2 3.8Å; V173-L223 HydrophobicContact CB-CD2 4.18Å; V173-L223 HydrophobicContact CG1-CD2 3.69Å; V173-D224 PolarHBondContact N-OD2 2.9Å; V173-D224 PolarHBondContact O-N 3.49Å |
| 174 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.3 | -175 | -46.3 | -47.6 | 0 | 0 | 0 | 108.9 | V147 F148 V149 K172 D224 D225 I227 Y263 | V147-I174 PolarHBondContact O-N 2.87Å; F148-I174 WeakPolarHBondContact CA-O 3.32Å; F148-I174 HydrophobicContact CD1-CB 3.72Å; F148-I174 HydrophobicContact CD1-CG1 4.3Å; F148-I174 HydrophobicContact CD1-CG2 3.9Å; F148-I174 HydrophobicContact CE1-CB 3.75Å; F148-I174 HydrophobicContact CE1-CG1 3.92Å; F148-I174 HydrophobicContact CE1-CG2 3.75Å; F148-I174 HydrophobicContact CG-CB 4.36Å; F148-I174 HydrophobicContact CZ-CB 4.42Å; F148-I174 HydrophobicContact CZ-CG1 4.11Å; V149-I174 PolarHBondContact N-O 3.36Å; K172-I174 HydrophobicContact CB-CD1 3.93Å; I174-D224 HydrophobicContact CD1-CB 4.2Å; I174-D225 HydrophobicContact CD1-CB 3.76Å; I174-D225 HydrophobicContact CG2-CB 4.25Å; I174-I227 HydrophobicContact CG2-CG2 4.29Å; I174-Y263 HydrophobicContact CG2-CD2 4.13Å; I174-Y263 HydrophobicContact CG2-CE2 4.11Å |
| 175 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 140.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V151 L184 L223 D225 I226 I227 | V151-A175 HydrophobicContact CG2-CB 3.63Å; A175-L184 HydrophobicContact CB-CD2 3.79Å; A175-L223 HydrophobicContact CB-CD1 3.75Å; A175-L223 HydrophobicContact CB-CD2 4.44Å; A175-D225 PolarHBondContact N-O 3.47Å; A175-I226 HydrophobicContact CB-CB 4.24Å; A175-I226 HydrophobicContact CB-CD1 4.39Å; A175-I226 HydrophobicContact CB-CG1 4Å; A175-I226 WeakPolarHBondContact O-CA 3.26Å; A175-I227 PolarHBondContact O-N 2.95Å |
| 176 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.3 | 174.6 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | F148 V149 P150 V151 I227 V229 L255 | F148-V176 HydrophobicContact CB-CG2 4.22Å; F148-V176 HydrophobicContact CD1-CG2 4.01Å; V149-V176 PolarHBondContact O-N 3.47Å; P150-V176 WeakPolarHBondContact CA-O 3.48Å; V151-V176 PolarHBondContact N-O 2.94Å; V176-I227 VanDerWaalsContact CA-O 3.32Å; V176-I227 WeakPolarHBondContact CA-O 3.28Å; V176-I227 HydrophobicContact CB-CG2 4.42Å; V176-I227 HydrophobicContact CG1-CG2 4.2Å; V176-I227 HydrophobicContact CG2-CG2 3.91Å; V176-V229 HydrophobicContact CG1-CG2 4.19Å; V176-L255 HydrophobicContact CB-CG 4.31Å; V176-L255 HydrophobicContact CG1-CD1 3.99Å; V176-L255 HydrophobicContact CG1-CG 3.85Å; V176-L255 WeakPolarHBondContact CG1-O 3.44Å; V176-L255 WeakPolarHBondContact O-CD2 3.27Å |
| 177 | E | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 154 | 174.8 | -71.5 | -167.3 | 121.9 | 0 | 0 | 111.8 | V151 A182 C183 L184 K185 I226 I227 T228 V229 | V151-E177 HydrophobicContact CB-CG 3.73Å; V151-E177 HydrophobicContact CG1-CG 4.06Å; E177-A182 HydrophobicContact CB-CB 4.06Å; E177-A182 VanDerWaalsContact CD-CA 3.46Å; E177-A182 VanDerWaalsContact OE2-CA 3.23Å; E177-A182 WeakPolarHBondContact OE2-CA 3.33Å; E177-C183 PolarHBondContact OE1-N 2.76Å; E177-C183 PolarHBondContact OE1-SG 3.3Å; E177-C183 VanDerWaalsContact OE1-SG 3.4Å; E177-C183 PolarHBondContact OE2-N 2.85Å; E177-L184 VanDerWaalsContact CD-N 3.35Å; E177-L184 WeakPolarHBondContact OE1-CB 3.49Å; E177-L184 PolarHBondContact OE1-N 3.41Å; E177-L184 WeakPolarHBondContact OE2-CB 3.25Å; E177-L184 PolarHBondContact OE2-N 2.83Å; E177-K185 PolarHBondContact OE2-N 2.95Å; E177-I226 HydrophobicContact CG-CD1 4.4Å; E177-I227 PolarHBondContact N-O 2.9Å; E177-T228 HydrophobicContact CB-CG2 4.37Å; E177-T228 CarbonylContact O-C 3.57Å; E177-T228 VanDerWaalsContact O-CA 3.25Å; E177-T228 WeakPolarHBondContact O-CA 3.11Å; E177-V229 PolarHBondContact O-N 2.9Å |
| 178 | A | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 138.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | D180 S181 A182 V206 V229 I234 L255 | A178-D180 WeakPolarHBondContact CB-OD1 3.23Å; A178-D180 PolarHBondContact O-N 3.2Å; A178-S181 CarbonylContact O-C 3.55Å; A178-S181 PolarHBondContact O-N 2.98Å; A178-A182 PolarHBondContact O-N 3.47Å; A178-A182 VanDerWaalsContact O-N 3.11Å; A178-V206 HydrophobicContact CB-CG2 4.43Å; A178-V229 CarbonylContact C-O 3.6Å; A178-V229 WeakPolarHBondContact CA-O 3.36Å; A178-I234 HydrophobicContact CB-CD1 4.28Å; A178-L255 HydrophobicContact CB-CD1 4.39Å |
| 179 | E | 95.1 | Very high | 97 | Very high | 92 Ų | 92 | 35 Ų | 35 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -56.6 | -34.5 | -177.9 | -79 | 175.9 | -172.3 | 0 | 0 | 112.8 | S181 T228 V229 K262 | E179-S181 VanDerWaalsContact C-N 3.28Å; E179-S181 PolarHBondContact O-N 3.33Å; E179-T228 WeakPolarHBondContact CG-OG1 3.49Å; E179-V229 PolarHBondContact N-O 3.46Å; E179-K262 IonicContact OE1-NZ 2.72Å; E179-K262 PolarHBondContact OE1-NZ 3.12Å |
| 180 | D | 91.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 32% | 0.321 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -78.3 | -6.6 | 179.2 | 63.1 | 16.5 | 0 | 0 | 0 | 114.6 | A178 V199 G200 | A178-D180 WeakPolarHBondContact CB-OD1 3.23Å; A178-D180 PolarHBondContact O-N 3.2Å; D180-V199 WeakPolarHBondContact O-CA 3.48Å; D180-G200 VanDerWaalsContact CG-CA 3.48Å; D180-G200 PolarHBondContact O-N 2.99Å; D180-G200 WeakPolarHBondContact OD2-CA 3.35Å |
| 181 | S | 93.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -142.9 | 29.7 | -172.6 | -51.7 | 0 | 0 | 0 | 0 | 112 | A178 E179 C183 G200 | A178-S181 CarbonylContact O-C 3.55Å; A178-S181 PolarHBondContact O-N 2.98Å; E179-S181 VanDerWaalsContact C-N 3.28Å; E179-S181 PolarHBondContact O-N 3.33Å; S181-C183 VanDerWaalsContact C-N 3.28Å; S181-C183 PolarHBondContact O-N 3.02Å; S181-G200 PolarHBondContact OG-N 3.49Å |
| 182 | A | 96.6 | Very high | 97 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | trans | -78.3 | 66 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E177 A178 K185 A186 T228 | E177-A182 HydrophobicContact CB-CB 4.06Å; E177-A182 VanDerWaalsContact CD-CA 3.46Å; E177-A182 VanDerWaalsContact OE2-CA 3.23Å; E177-A182 WeakPolarHBondContact OE2-CA 3.33Å; A178-A182 PolarHBondContact O-N 3.47Å; A178-A182 VanDerWaalsContact O-N 3.11Å; A182-K185 HydrophobicContact CB-CB 4.04Å; A182-A186 PolarHBondContact O-N 3.29Å; A182-A186 VanDerWaalsContact O-N 3.11Å; A182-T228 HydrophobicContact CB-CG2 3.85Å | ||
| 183 | C | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.5 | -34.7 | -173.1 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | G152 E177 S181 A187 L196 V208 | G152-C183 PolarHBondContact O-SG 3.46Å; E177-C183 PolarHBondContact OE1-N 2.76Å; E177-C183 PolarHBondContact OE1-SG 3.3Å; E177-C183 VanDerWaalsContact OE1-SG 3.4Å; E177-C183 PolarHBondContact OE2-N 2.85Å; S181-C183 VanDerWaalsContact C-N 3.28Å; S181-C183 PolarHBondContact O-N 3.02Å; C183-A187 WeakPolarHBondContact O-CB 3.34Å; C183-A187 PolarHBondContact O-N 3.16Å; C183-L196 HydrophobicContact CB-CD1 3.85Å; C183-L196 HydrophobicContact CB-CG 4.23Å; C183-V208 WeakPolarHBondContact CB-O 3.45Å |
| 184 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -44 | 173.8 | 174.2 | 60.7 | 0 | 0 | 0 | 109.9 | V151 A175 E177 A186 A187 L188 I211 F216 C219 L223 I226 | V151-L184 HydrophobicContact CG1-CB 3.93Å; V151-L184 HydrophobicContact CG1-CD2 4.03Å; V151-L184 HydrophobicContact CG2-CD2 4.14Å; A175-L184 HydrophobicContact CB-CD2 3.79Å; E177-L184 VanDerWaalsContact CD-N 3.35Å; E177-L184 WeakPolarHBondContact OE1-CB 3.49Å; E177-L184 PolarHBondContact OE1-N 3.41Å; E177-L184 WeakPolarHBondContact OE2-CB 3.25Å; E177-L184 PolarHBondContact OE2-N 2.83Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.19Å; L184-A187 PolarHBondContact O-N 3.22Å; L184-L188 HydrophobicContact CD1-CD1 4Å; L184-L188 HydrophobicContact CD1-CD2 4.43Å; L184-L188 HydrophobicContact CD1-CG 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.92Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 2.94Å; L184-I211 HydrophobicContact CB-CD1 3.85Å; L184-I211 HydrophobicContact CD1-CD1 3.51Å; L184-I211 HydrophobicContact CG-CD1 4.16Å; L184-F216 HydrophobicContact CD1-CD2 4.08Å; L184-F216 HydrophobicContact CD1-CE2 4.5Å; L184-C219 HydrophobicContact CD1-CB 3.91Å; L184-C219 HydrophobicContact CD2-CB 4.48Å; L184-L223 HydrophobicContact CD2-CD1 3.7Å; L184-I226 HydrophobicContact CB-CD1 3.99Å; L184-I226 HydrophobicContact CD2-CD1 3.74Å; L184-I226 HydrophobicContact CG-CD1 3.72Å |
| 185 | K | 97.7 | Very high | 96.8 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 34% | 0.339 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -48.9 | 176.5 | -177.9 | 53.2 | 178.6 | 155.2 | 0 | 111.1 | E177 A182 A187 L188 D189 I226 | E177-K185 PolarHBondContact OE2-N 2.95Å; A182-K185 HydrophobicContact CB-CB 4.04Å; K185-A187 VanDerWaalsContact C-N 3.32Å; K185-A187 PolarHBondContact O-N 2.77Å; K185-L188 PolarHBondContact O-N 3.4Å; K185-D189 WeakPolarHBondContact CE-OD1 3.44Å; K185-D189 VanDerWaalsContact CE-OD2 3.29Å; K185-D189 WeakPolarHBondContact CE-OD2 3.37Å; K185-D189 IonicContact NZ-OD1 3.62Å; K185-D189 PolarHBondContact NZ-OD1 2.67Å; K185-D189 IonicContact NZ-OD2 3.19Å; K185-D189 PolarHBondContact NZ-OD2 3Å; K185-D189 VanDerWaalsContact O-CG 3.27Å; K185-D189 PolarHBondContact O-N 3.26Å; K185-I226 HydrophobicContact CB-CD1 3.9Å; K185-I226 HydrophobicContact CD-CG2 4.1Å |
| 186 | A | 97.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A182 L184 A190 V194 L196 | A182-A186 PolarHBondContact O-N 3.29Å; A182-A186 VanDerWaalsContact O-N 3.11Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.19Å; A186-A190 WeakPolarHBondContact O-CB 3.32Å; A186-A190 PolarHBondContact O-N 2.86Å; A186-V194 HydrophobicContact CB-CG2 3.72Å; A186-L196 HydrophobicContact CB-CD2 3.73Å |
| 187 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C183 L184 K185 A190 G191 H192 I211 F216 | C183-A187 WeakPolarHBondContact O-CB 3.34Å; C183-A187 PolarHBondContact O-N 3.16Å; L184-A187 PolarHBondContact O-N 3.22Å; K185-A187 VanDerWaalsContact C-N 3.32Å; K185-A187 PolarHBondContact O-N 2.77Å; A187-A190 PolarHBondContact O-N 3Å; A187-G191 CarbonylContact O-C 3.45Å; A187-G191 WeakPolarHBondContact O-CA 3.47Å; A187-G191 PolarHBondContact O-N 2.98Å; A187-H192 VanDerWaalsContact CA-O 3.28Å; A187-H192 WeakPolarHBondContact CA-O 3.26Å; A187-H192 PolarHBondContact O-N 2.84Å; A187-H192 VanDerWaalsContact O-N 3.1Å; A187-I211 HydrophobicContact CB-CG2 3.69Å; A187-F216 HydrophobicContact CB-CD2 3.65Å; A187-F216 HydrophobicContact CB-CE2 3.5Å; A187-F216 HydrophobicContact CB-CZ 4.26Å; A187-F216 WeakPolarHBondContact O-CZ 3.48Å |
| 188 | L | 97.5 | Very high | 95.8 | Very high | 56 Ų | 56 | 55 Ų | 55 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.3 | -73.7 | 170.9 | 0 | 0 | 0 | 111 | L184 K185 A190 G191 F216 Q220 I226 | L184-L188 HydrophobicContact CD1-CD1 4Å; L184-L188 HydrophobicContact CD1-CD2 4.43Å; L184-L188 HydrophobicContact CD1-CG 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.92Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 2.94Å; K185-L188 PolarHBondContact O-N 3.4Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 3.19Å; L188-G191 PolarHBondContact O-N 2.77Å; L188-F216 HydrophobicContact CD2-CE2 3.98Å; L188-F216 HydrophobicContact CG-CE2 4.22Å; L188-Q220 HydrophobicContact CD2-CB 4.32Å; L188-Q220 HydrophobicContact CD2-CG 4.35Å; L188-I226 HydrophobicContact CD1-CD1 4.3Å; L188-I226 HydrophobicContact CD1-CG2 4.19Å |
| 189 | D | 96.9 | Very high | 95.3 | Very high | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.2 | -32.9 | 179 | -66.5 | -16.6 | 0 | 0 | 0 | 111.8 | K185 | K185-D189 WeakPolarHBondContact CE-OD1 3.44Å; K185-D189 VanDerWaalsContact CE-OD2 3.29Å; K185-D189 WeakPolarHBondContact CE-OD2 3.37Å; K185-D189 IonicContact NZ-OD1 3.62Å; K185-D189 PolarHBondContact NZ-OD1 2.67Å; K185-D189 IonicContact NZ-OD2 3.19Å; K185-D189 PolarHBondContact NZ-OD2 3Å; K185-D189 VanDerWaalsContact O-CG 3.27Å; K185-D189 PolarHBondContact O-N 3.26Å |
| 190 | A | 97.2 | Very high | 94.8 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -84.6 | -15.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A186 A187 L188 H192 V194 | A186-A190 WeakPolarHBondContact O-CB 3.32Å; A186-A190 PolarHBondContact O-N 2.86Å; A187-A190 PolarHBondContact O-N 3Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 3.19Å; A190-H192 PolarHBondContact O-CE1 2.78Å; A190-H192 PolarHBondContact O-N 3.37Å; A190-H192 PolarHBondContact O-ND1 2.92Å; A190-V194 HydrophobicContact CB-CG1 3.67Å; A190-V194 HydrophobicContact CB-CG2 4.47Å |
| 191 | G | 96.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 3.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A187 L188 | A187-G191 CarbonylContact O-C 3.45Å; A187-G191 WeakPolarHBondContact O-CA 3.47Å; A187-G191 PolarHBondContact O-N 2.98Å; L188-G191 PolarHBondContact O-N 2.77Å |
| 192 | H | 97.4 | Very high | 94.1 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -155.6 | 158.6 | 178.3 | 60.9 | -74.2 | 0 | 0 | 0 | 110.3 | A187 A190 V194 | A187-H192 VanDerWaalsContact CA-O 3.28Å; A187-H192 WeakPolarHBondContact CA-O 3.26Å; A187-H192 PolarHBondContact O-N 2.84Å; A187-H192 VanDerWaalsContact O-N 3.1Å; A190-H192 PolarHBondContact O-CE1 2.78Å; A190-H192 PolarHBondContact O-N 3.37Å; A190-H192 PolarHBondContact O-ND1 2.92Å; H192-V194 PolarHBondContact O-N 2.97Å |
| 193 | P | 97.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | trans | -58.2 | 128 | 177.1 | -27.3 | 37.9 | 0 | 0 | 0 | 112.7 | R210 I211 D213 F216 | P193-R210 HydrophobicContact CB-CG 4.24Å; P193-I211 HydrophobicContact CB-CG2 4.02Å; P193-I211 HydrophobicContact CG-CG2 4.3Å; P193-D213 WeakPolarHBondContact CG-OD1 3.49Å; P193-F216 HydrophobicContact CG-CB 3.89Å; P193-F216 HydrophobicContact CG-CD1 3.77Å; P193-F216 HydrophobicContact CG-CG 3.88Å | ||
| 194 | V | 97 | Very high | 93.2 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | trans | -125.8 | 154.7 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | A186 A190 H192 | A186-V194 HydrophobicContact CB-CG2 3.72Å; A190-V194 HydrophobicContact CB-CG1 3.67Å; A190-V194 HydrophobicContact CB-CG2 4.47Å; H192-V194 PolarHBondContact O-N 2.97Å | ||
| 195 | D | 95.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | trans | -85.8 | 123.9 | 175.3 | -86.5 | 15.2 | 0 | 0 | 0 | 110.4 | K209 R210 | D195-K209 HydrophobicContact CB-CG 4.41Å; D195-K209 WeakPolarHBondContact OD2-CE 3.3Å; D195-K209 IonicContact OD2-NZ 2.74Å; D195-R210 VanDerWaalsContact OD1-CB 3.24Å; D195-R210 WeakPolarHBondContact OD1-CB 3.04Å; D195-R210 WeakPolarHBondContact OD1-CD 3.44Å | ||
| 196 | L | 94.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | trans | -69.1 | 142.7 | 167.7 | -62.8 | 178.1 | 0 | 0 | 0 | 110.4 | C183 A186 R198 V199 K209 | C183-L196 HydrophobicContact CB-CD1 3.85Å; C183-L196 HydrophobicContact CB-CG 4.23Å; A186-L196 HydrophobicContact CB-CD2 3.73Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.1Å; L196-V199 HydrophobicContact CB-CG1 4.46Å; L196-V199 HydrophobicContact CD1-CG1 4.18Å; L196-K209 WeakPolarHBondContact CG-O 3.29Å; L196-K209 PolarHBondContact N-O 3.27Å; L196-K209 WeakPolarHBondContact O-CE 3.42Å; L196-K209 VanDerWaalsContact O-CG 3.28Å; L196-K209 WeakPolarHBondContact O-CG 3.46Å | ||
| 197 | P | 90.4 | Very high | 91.8 | Very high | 127 Ų | 127 | 63 Ų | 63 | 83% | 0.825 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -67 | -31.8 | 178.7 | 26.4 | -33.9 | 0 | 0 | 0 | 112.3 | ||
| 198 | R | 89.2 | Confident | 91.4 | Very high | 217 Ų | 217 | 64.3 Ų | 64.3 | 82% | 0.819 | 36% | 0.363 | S | S | * | . | trans | -149.8 | 158 | 178.5 | -63.8 | -174.6 | -179.9 | 175.4 | -0.6 | 109.2 | L196 | L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.1Å | ||
| 199 | V | 87.2 | Confident | 91.2 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -128.3 | 147.6 | 172 | -65.3 | 0 | 0 | 0 | 0 | 109 | D180 L196 A207 K209 | D180-V199 WeakPolarHBondContact O-CA 3.48Å; L196-V199 HydrophobicContact CB-CG1 4.46Å; L196-V199 HydrophobicContact CD1-CG1 4.18Å; V199-A207 HydrophobicContact CB-CB 4.43Å; V199-A207 HydrophobicContact CG2-CB 4.26Å; V199-K209 HydrophobicContact CG1-CB 4.28Å | ||
| 200 | G | 84.2 | Confident | 91.1 | Very high | 14 Ų | 14 | 66.3 Ų | 66.3 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | trans | -79.1 | 151.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D180 S181 A207 | D180-G200 VanDerWaalsContact CG-CA 3.48Å; D180-G200 PolarHBondContact O-N 2.99Å; D180-G200 WeakPolarHBondContact OD2-CA 3.35Å; S181-G200 PolarHBondContact OG-N 3.49Å; G200-A207 WeakPolarHBondContact O-CB 3.48Å | ||
| 201 | L | 84.3 | Confident | 91.1 | Very high | 135 Ų | 135 | 64.3 Ų | 64.3 | 71% | 0.707 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -100.8 | -3.9 | -176.2 | -62.5 | 176.9 | 0 | 0 | 0 | 113.2 | E204 | L201-E204 VanDerWaalsContact O-CG 3.22Å; L201-E204 WeakPolarHBondContact O-CG 3.02Å |
| 202 | F | 86.1 | Confident | 91.1 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -45.6 | -177.3 | 179.5 | -116.3 | 0 | 0 | 0 | 111.8 | S231 I234 C235 P251 Y290 V291 | F202-S231 WeakPolarHBondContact CD1-OG 3.44Å; F202-I234 HydrophobicContact CE1-CB 4.05Å; F202-I234 HydrophobicContact CE1-CG2 3.79Å; F202-C235 WeakPolarHBondContact CZ-SG 3.19Å; F202-P251 HydrophobicContact CD1-CB 4.16Å; F202-P251 HydrophobicContact CE1-CB 3.85Å; F202-P251 HydrophobicContact CE1-CG 4.25Å; F202-P251 HydrophobicContact CE2-CG 4.05Å; F202-P251 HydrophobicContact CZ-CB 4.02Å; F202-P251 HydrophobicContact CZ-CG 3.9Å; F202-P251 WeakPolarHBondContact O-CB 3.42Å; F202-P251 WeakPolarHBondContact O-CG 3.5Å; F202-Y290 HydrophobicContact CD2-CD1 4.14Å; F202-Y290 AromaticContact CD2-CE1 3.69Å; F202-Y290 HydrophobicContact CD2-CE1 3.69Å; F202-Y290 AromaticContact CE2-CD1 3.57Å; F202-Y290 HydrophobicContact CE2-CD1 3.57Å; F202-Y290 AromaticContact CE2-CE1 3.43Å; F202-Y290 HydrophobicContact CE2-CE1 3.43Å; F202-Y290 VanDerWaalsContact CE2-CE1 3.43Å; F202-Y290 HydrophobicContact CZ-CD1 4.42Å; F202-Y290 HydrophobicContact CZ-CE1 4.19Å; F202-V291 HydrophobicContact CE2-CG2 4.35Å; F202-V291 HydrophobicContact CZ-CG2 4.22Å |
| 203 | A | 87.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 65.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G205 V206 A207 I234 P251 S252 | A203-G205 PolarHBondContact O-N 3.15Å; A203-V206 HydrophobicContact CB-CG2 3.55Å; A203-V206 WeakPolarHBondContact O-CG2 3.47Å; A203-V206 PolarHBondContact O-N 3.31Å; A203-A207 PolarHBondContact O-N 3.25Å; A203-I234 HydrophobicContact CB-CD1 4.45Å; A203-P251 HydrophobicContact CB-CB 4.13Å; A203-S252 VanDerWaalsContact C-OG 3.25Å; A203-S252 PolarHBondContact O-OG 2.75Å |
| 204 | E | 86.1 | Confident | 91.1 | Very high | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -44.2 | -39.5 | -174.3 | -64 | -176.4 | 179.4 | 0 | 0 | 114.5 | K81 L201 V206 A207 | K81-E204 IonicContact NZ-OE2 3.24Å; K81-E204 PolarHBondContact NZ-OE2 3Å; L201-E204 VanDerWaalsContact O-CG 3.22Å; L201-E204 WeakPolarHBondContact O-CG 3.02Å; E204-V206 PolarHBondContact O-N 3.43Å; E204-A207 PolarHBondContact O-N 3.06Å |
| 205 | G | 84.3 | Confident | 91.2 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -68.9 | -17.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A203 S252 | A203-G205 PolarHBondContact O-N 3.15Å; G205-S252 VanDerWaalsContact CA-OG 3.31Å; G205-S252 WeakPolarHBondContact CA-OG 3.43Å; G205-S252 PolarHBondContact N-OG 2.79Å |
| 206 | V | 89.9 | Confident | 91.3 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -116.5 | 2.5 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | V151 A178 A203 E204 V208 S252 L255 | V151-V206 WeakPolarHBondContact O-CB 3.39Å; V151-V206 WeakPolarHBondContact O-CG1 3.44Å; A178-V206 HydrophobicContact CB-CG2 4.43Å; A203-V206 HydrophobicContact CB-CG2 3.55Å; A203-V206 WeakPolarHBondContact O-CG2 3.47Å; A203-V206 PolarHBondContact O-N 3.31Å; E204-V206 PolarHBondContact O-N 3.43Å; V206-V208 PolarHBondContact O-N 3.44Å; V206-S252 PolarHBondContact N-OG 3.09Å; V206-L255 HydrophobicContact CB-CD2 4.35Å; V206-L255 HydrophobicContact CG1-CD2 3.92Å; V206-L255 HydrophobicContact CG2-CD2 3.96Å |
| 207 | A | 89.9 | Confident | 91.5 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | trans | -70.7 | 67.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V199 G200 A203 E204 | V199-A207 HydrophobicContact CB-CB 4.43Å; V199-A207 HydrophobicContact CG2-CB 4.26Å; G200-A207 WeakPolarHBondContact O-CB 3.48Å; A203-A207 PolarHBondContact O-N 3.25Å; E204-A207 PolarHBondContact O-N 3.06Å | ||
| 208 | V | 90.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | trans | -111.6 | 122 | -173.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | F121 C183 V206 R210 | F121-V208 HydrophobicContact CE1-CG1 4.41Å; F121-V208 HydrophobicContact CZ-CG1 4.2Å; C183-V208 WeakPolarHBondContact CB-O 3.45Å; V206-V208 PolarHBondContact O-N 3.44Å; V208-R210 WeakPolarHBondContact CG1-O 3.36Å; V208-R210 PolarHBondContact O-N 3.36Å | ||
| 209 | K | 92.4 | Very high | 92.3 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -67.2 | -35.8 | -176.3 | -177.4 | 173.6 | 169.8 | -172.3 | 0 | 113.4 | D195 L196 V199 | D195-K209 HydrophobicContact CB-CG 4.41Å; D195-K209 WeakPolarHBondContact OD2-CE 3.3Å; D195-K209 IonicContact OD2-NZ 2.74Å; L196-K209 WeakPolarHBondContact CG-O 3.29Å; L196-K209 PolarHBondContact N-O 3.27Å; L196-K209 WeakPolarHBondContact O-CE 3.42Å; L196-K209 VanDerWaalsContact O-CG 3.28Å; L196-K209 WeakPolarHBondContact O-CG 3.46Å; V199-K209 HydrophobicContact CG1-CB 4.28Å |
| 210 | R | 95.1 | Very high | 92.7 | Very high | 102 Ų | 102 | 48.8 Ų | 48.8 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -144.7 | 130.3 | -178.2 | 171.8 | 171 | 166.6 | -172.4 | -0.6 | 109.9 | P193 D195 V208 D213 | P193-R210 HydrophobicContact CB-CG 4.24Å; D195-R210 VanDerWaalsContact OD1-CB 3.24Å; D195-R210 WeakPolarHBondContact OD1-CB 3.04Å; D195-R210 WeakPolarHBondContact OD1-CD 3.44Å; V208-R210 WeakPolarHBondContact CG1-O 3.36Å; V208-R210 PolarHBondContact O-N 3.36Å; R210-D213 IonicContact CZ-OD1 3.54Å; R210-D213 IonicContact NE-OD1 2.79Å; R210-D213 IonicContact NH2-OD1 3.45Å; R210-D213 PolarHBondContact NH2-OD1 3.21Å; R210-D213 IonicContact NH2-OD2 2.97Å |
| 211 | I | 96.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -62.7 | 151.9 | 173.6 | -171 | 162.7 | 0 | 0 | 0 | 111.1 | L184 A187 P193 T215 F216 | L184-I211 HydrophobicContact CB-CD1 3.85Å; L184-I211 HydrophobicContact CD1-CD1 3.51Å; L184-I211 HydrophobicContact CG-CD1 4.16Å; A187-I211 HydrophobicContact CB-CG2 3.69Å; P193-I211 HydrophobicContact CB-CG2 4.02Å; P193-I211 HydrophobicContact CG-CG2 4.3Å; I211-T215 WeakPolarHBondContact CG1-OG1 3.47Å; I211-F216 HydrophobicContact CD1-CB 4.29Å; I211-F216 HydrophobicContact CG1-CB 4.31Å; I211-F216 HydrophobicContact CG2-CB 3.96Å; I211-F216 HydrophobicContact CG2-CD2 4.2Å; I211-F216 HydrophobicContact CG2-CG 4.36Å | ||
| 212 | G | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | trans | -63.8 | 153.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D122 T215 F216 | D122-G212 WeakPolarHBondContact OD1-CA 3.13Å; D122-G212 WeakPolarHBondContact OD2-CA 3.22Å; G212-T215 VanDerWaalsContact CA-OG1 3.26Å; G212-T215 WeakPolarHBondContact CA-OG1 3.26Å; G212-T215 PolarHBondContact N-OG1 2.84Å; G212-T215 PolarHBondContact O-OG1 3.25Å; G212-F216 WeakPolarHBondContact O-CB 3.42Å; G212-F216 PolarHBondContact O-N 3.13Å | ||
| 213 | D | 97.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.7 | -43.8 | -177.6 | -65.1 | -34.1 | 0 | 0 | 0 | 110.6 | D122 P193 R210 R217 | D122-D213 PolarHBondContact OD1-N 2.76Å; D122-D213 PolarHBondContact OD2-N 3.41Å; P193-D213 WeakPolarHBondContact CG-OD1 3.49Å; R210-D213 IonicContact CZ-OD1 3.54Å; R210-D213 IonicContact NE-OD1 2.79Å; R210-D213 IonicContact NH2-OD1 3.45Å; R210-D213 PolarHBondContact NH2-OD1 3.21Å; R210-D213 IonicContact NH2-OD2 2.97Å; D213-R217 PolarHBondContact O-N 2.92Å; D213-R217 VanDerWaalsContact O-N 3.12Å |
| 214 | E | 98 | Very high | 95.1 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.7 | -36.7 | 178.1 | 177.7 | 60.8 | -175.7 | 0 | 0 | 111.2 | D122 I127 R217 L218 | D122-E214 WeakPolarHBondContact OD1-CB 3.48Å; D122-E214 PolarHBondContact OD1-N 2.89Å; I127-E214 HydrophobicContact CD1-CB 4.39Å; I127-E214 HydrophobicContact CD1-CG 3.77Å; E214-R217 PolarHBondContact O-N 3.19Å; E214-R217 IonicContact OE1-CZ 2.72Å; E214-R217 IonicContact OE1-NE 3.27Å; E214-R217 IonicContact OE1-NH2 2.88Å; E214-R217 PolarHBondContact OE1-NH2 2.95Å; E214-R217 IonicContact OE2-CZ 3.31Å; E214-R217 IonicContact OE2-NE 3.99Å; E214-R217 PolarHBondContact OE2-NE 3.19Å; E214-R217 IonicContact OE2-NH2 3.87Å; E214-L218 HydrophobicContact CG-CD1 4.33Å; E214-L218 WeakPolarHBondContact O-CG 3.16Å; E214-L218 PolarHBondContact O-N 3.46Å; E214-L218 VanDerWaalsContact O-N 3.12Å |
| 215 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -38.3 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | F121 D122 I127 G153 A158 I211 G212 C219 | F121-T215 HydrophobicContact CD2-CG2 4.45Å; D122-T215 PolarHBondContact OD1-N 3.25Å; I127-T215 HydrophobicContact CD1-CG2 3.7Å; I127-T215 HydrophobicContact CG1-CG2 4Å; G153-T215 WeakPolarHBondContact O-CB 3.43Å; G153-T215 WeakPolarHBondContact O-CG2 3.43Å; G153-T215 PolarHBondContact O-OG1 2.76Å; A158-T215 HydrophobicContact CB-CG2 4.46Å; I211-T215 WeakPolarHBondContact CG1-OG1 3.47Å; G212-T215 VanDerWaalsContact CA-OG1 3.26Å; G212-T215 WeakPolarHBondContact CA-OG1 3.26Å; G212-T215 PolarHBondContact N-OG1 2.84Å; G212-T215 PolarHBondContact O-OG1 3.25Å; T215-C219 WeakPolarHBondContact O-CB 3.32Å; T215-C219 PolarHBondContact O-N 3.43Å; T215-C219 PolarHBondContact O-SG 2.7Å |
| 216 | F | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 173.5 | 176.5 | -108 | 0 | 0 | 0 | 111.9 | L184 A187 L188 P193 I211 G212 L218 C219 Q220 | L184-F216 HydrophobicContact CD1-CD2 4.08Å; L184-F216 HydrophobicContact CD1-CE2 4.5Å; A187-F216 HydrophobicContact CB-CD2 3.65Å; A187-F216 HydrophobicContact CB-CE2 3.5Å; A187-F216 HydrophobicContact CB-CZ 4.26Å; A187-F216 WeakPolarHBondContact O-CZ 3.48Å; L188-F216 HydrophobicContact CD2-CE2 3.98Å; L188-F216 HydrophobicContact CG-CE2 4.22Å; P193-F216 HydrophobicContact CG-CB 3.89Å; P193-F216 HydrophobicContact CG-CD1 3.77Å; P193-F216 HydrophobicContact CG-CG 3.88Å; I211-F216 HydrophobicContact CD1-CB 4.29Å; I211-F216 HydrophobicContact CG1-CB 4.31Å; I211-F216 HydrophobicContact CG2-CB 3.96Å; I211-F216 HydrophobicContact CG2-CD2 4.2Å; I211-F216 HydrophobicContact CG2-CG 4.36Å; G212-F216 WeakPolarHBondContact O-CB 3.42Å; G212-F216 PolarHBondContact O-N 3.13Å; F216-L218 VanDerWaalsContact C-N 3.29Å; F216-L218 PolarHBondContact O-N 3.35Å; F216-C219 PolarHBondContact O-N 3.13Å; F216-Q220 WeakPolarHBondContact O-CB 3.34Å; F216-Q220 PolarHBondContact O-N 2.99Å |
| 217 | R | 98.2 | Very high | 96.8 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.6 | -47.5 | 177.9 | -170.3 | -168.9 | 67.3 | 71.8 | -3.2 | 111.5 | D213 E214 E221 | D213-R217 PolarHBondContact O-N 2.92Å; D213-R217 VanDerWaalsContact O-N 3.12Å; E214-R217 PolarHBondContact O-N 3.19Å; E214-R217 IonicContact OE1-CZ 2.72Å; E214-R217 IonicContact OE1-NE 3.27Å; E214-R217 IonicContact OE1-NH2 2.88Å; E214-R217 PolarHBondContact OE1-NH2 2.95Å; E214-R217 IonicContact OE2-CZ 3.31Å; E214-R217 IonicContact OE2-NE 3.99Å; E214-R217 PolarHBondContact OE2-NE 3.19Å; E214-R217 IonicContact OE2-NH2 3.87Å; R217-E221 IonicContact NH1-OE2 2.98Å; R217-E221 PolarHBondContact NH1-OE2 2.97Å; R217-E221 PolarHBondContact O-N 2.89Å |
| 218 | L | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.3 | -42.4 | 178.5 | -67.9 | 173.5 | 0 | 0 | 0 | 112.6 | I127 A158 V162 E214 F216 Q220 E221 Y222 | I127-L218 HydrophobicContact CD1-CD1 4.03Å; I127-L218 HydrophobicContact CG2-CD1 3.95Å; A158-L218 HydrophobicContact CB-CB 3.85Å; A158-L218 HydrophobicContact CB-CD1 4.02Å; V162-L218 HydrophobicContact CG2-CB 4.3Å; V162-L218 HydrophobicContact CG2-CD1 4.21Å; V162-L218 HydrophobicContact CG2-CD2 3.76Å; V162-L218 HydrophobicContact CG2-CG 4.32Å; E214-L218 HydrophobicContact CG-CD1 4.33Å; E214-L218 WeakPolarHBondContact O-CG 3.16Å; E214-L218 PolarHBondContact O-N 3.46Å; E214-L218 VanDerWaalsContact O-N 3.12Å; F216-L218 VanDerWaalsContact C-N 3.29Å; F216-L218 PolarHBondContact O-N 3.35Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.75Å; L218-E221 PolarHBondContact O-N 3.46Å; L218-Y222 HydrophobicContact CB-CD2 4.46Å; L218-Y222 HydrophobicContact CD2-CD2 4.16Å; L218-Y222 HydrophobicContact CD2-CE2 3.83Å; L218-Y222 VanDerWaalsContact O-CD2 3.3Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å; L218-Y222 PolarHBondContact O-N 3.29Å |
| 219 | C | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.3 | -78 | 0 | 0 | 0 | 0 | 111.8 | L184 T215 F216 E221 L223 | L184-C219 HydrophobicContact CD1-CB 3.91Å; L184-C219 HydrophobicContact CD2-CB 4.48Å; T215-C219 WeakPolarHBondContact O-CB 3.32Å; T215-C219 PolarHBondContact O-N 3.43Å; T215-C219 PolarHBondContact O-SG 2.7Å; F216-C219 PolarHBondContact O-N 3.13Å; C219-E221 VanDerWaalsContact C-N 3.27Å; C219-E221 PolarHBondContact O-N 3.33Å; C219-L223 HydrophobicContact CB-CD1 3.58Å; C219-L223 HydrophobicContact CB-CG 4.22Å; C219-L223 VanDerWaalsContact O-CB 3.27Å; C219-L223 WeakPolarHBondContact O-CB 3.34Å; C219-L223 WeakPolarHBondContact O-CG 3.38Å; C219-L223 PolarHBondContact O-N 3.31Å; C219-L223 VanDerWaalsContact O-N 3.09Å |
| 220 | Q | 97.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 176.5 | -175.2 | 179.1 | 57.6 | 0 | 0 | 112.3 | L188 F216 L218 | L188-Q220 HydrophobicContact CD2-CB 4.32Å; L188-Q220 HydrophobicContact CD2-CG 4.35Å; F216-Q220 WeakPolarHBondContact O-CB 3.34Å; F216-Q220 PolarHBondContact O-N 2.99Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.75Å |
| 221 | E | 97.6 | Very high | 97.2 | Very high | 110 Ų | 110 | 42 Ų | 42 | 51% | 0.514 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -81.7 | -38.2 | -179 | -170.8 | 179.9 | 159 | 0 | 0 | 113 | R217 L218 C219 | R217-E221 IonicContact NH1-OE2 2.98Å; R217-E221 PolarHBondContact NH1-OE2 2.97Å; R217-E221 PolarHBondContact O-N 2.89Å; L218-E221 PolarHBondContact O-N 3.46Å; C219-E221 VanDerWaalsContact C-N 3.27Å; C219-E221 PolarHBondContact O-N 3.33Å |
| 222 | Y | 98.2 | Very high | 96.8 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.173 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -115.8 | -15.8 | -164.8 | -65.3 | -70.1 | 0 | 0 | 0 | 116.5 | V162 K165 L218 | V162-Y222 HydrophobicContact CG2-CD2 3.54Å; V162-Y222 HydrophobicContact CG2-CE2 3.76Å; V162-Y222 HydrophobicContact CG2-CG 4.24Å; K165-Y222 HydrophobicContact CB-CD1 3.63Å; K165-Y222 HydrophobicContact CB-CE1 4.28Å; K165-Y222 HydrophobicContact CB-CG 4.5Å; K165-Y222 WeakPolarHBondContact CE-O 3.42Å; K165-Y222 HydrophobicContact CG-CD1 3.88Å; K165-Y222 HydrophobicContact CG-CG 4.43Å; K165-Y222 WeakPolarHBondContact CG-O 3.26Å; L218-Y222 HydrophobicContact CB-CD2 4.46Å; L218-Y222 HydrophobicContact CD2-CD2 4.16Å; L218-Y222 HydrophobicContact CD2-CE2 3.83Å; L218-Y222 VanDerWaalsContact O-CD2 3.3Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å; L218-Y222 PolarHBondContact O-N 3.29Å |
| 223 | L | 98.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | trans | -79 | 144.7 | 176.8 | -66.5 | 173.2 | 0 | 0 | 0 | 111.4 | A157 A161 V173 A175 L184 C219 | A157-L223 HydrophobicContact CB-CD2 4.5Å; A161-L223 HydrophobicContact CB-CD2 3.85Å; A161-L223 HydrophobicContact CB-CG 4.39Å; V173-L223 HydrophobicContact CB-CD2 4.18Å; V173-L223 HydrophobicContact CG1-CD2 3.69Å; A175-L223 HydrophobicContact CB-CD1 3.75Å; A175-L223 HydrophobicContact CB-CD2 4.44Å; L184-L223 HydrophobicContact CD2-CD1 3.7Å; C219-L223 HydrophobicContact CB-CD1 3.58Å; C219-L223 HydrophobicContact CB-CG 4.22Å; C219-L223 VanDerWaalsContact O-CB 3.27Å; C219-L223 WeakPolarHBondContact O-CB 3.34Å; C219-L223 WeakPolarHBondContact O-CG 3.38Å; C219-L223 PolarHBondContact O-N 3.31Å; C219-L223 VanDerWaalsContact O-N 3.09Å | ||
| 224 | D | 98.5 | Very high | 96.4 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | trans | -91.2 | -31.1 | 179.3 | -58.9 | -100.6 | 0 | 0 | 0 | 112.9 | K165 K172 V173 I174 | K165-D224 WeakPolarHBondContact CE-OD2 3.1Å; K165-D224 IonicContact NZ-OD1 3.79Å; K165-D224 PolarHBondContact NZ-OD1 2.93Å; K165-D224 IonicContact NZ-OD2 2.78Å; K165-D224 PolarHBondContact NZ-OD2 3.44Å; K172-D224 VanDerWaalsContact CA-OD2 3.24Å; K172-D224 WeakPolarHBondContact CA-OD2 3.23Å; K172-D224 HydrophobicContact CB-CB 4.09Å; K172-D224 HydrophobicContact CG-CB 4.33Å; V173-D224 PolarHBondContact N-OD2 2.9Å; V173-D224 PolarHBondContact O-N 3.49Å; I174-D224 HydrophobicContact CD1-CB 4.2Å | ||
| 225 | D | 98.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 168.9 | -177.7 | -147.7 | -18 | 0 | 0 | 0 | 111.5 | I174 A175 Y263 | I174-D225 HydrophobicContact CD1-CB 3.76Å; I174-D225 HydrophobicContact CG2-CB 4.25Å; A175-D225 PolarHBondContact N-O 3.47Å; D225-Y263 HydrophobicContact CB-CE2 4.24Å; D225-Y263 VanDerWaalsContact OD2-CE2 3.26Å; D225-Y263 WeakPolarHBondContact OD2-CE2 3.49Å; D225-Y263 PolarHBondContact OD2-OH 2.99Å |
| 226 | I | 98.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 138.6 | 175.9 | -173.8 | 168.5 | 0 | 0 | 0 | 111 | A175 E177 L184 K185 L188 | A175-I226 HydrophobicContact CB-CB 4.24Å; A175-I226 HydrophobicContact CB-CD1 4.39Å; A175-I226 HydrophobicContact CB-CG1 4Å; A175-I226 WeakPolarHBondContact O-CA 3.26Å; E177-I226 HydrophobicContact CG-CD1 4.4Å; L184-I226 HydrophobicContact CB-CD1 3.99Å; L184-I226 HydrophobicContact CD2-CD1 3.74Å; L184-I226 HydrophobicContact CG-CD1 3.72Å; K185-I226 HydrophobicContact CB-CD1 3.9Å; K185-I226 HydrophobicContact CD-CG2 4.1Å; L188-I226 HydrophobicContact CD1-CD1 4.3Å; L188-I226 HydrophobicContact CD1-CG2 4.19Å |
| 227 | I | 98.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.2 | 174 | -168.7 | 165.3 | 0 | 0 | 0 | 111.3 | I174 A175 V176 E177 K262 Y263 L266 | I174-I227 HydrophobicContact CG2-CG2 4.29Å; A175-I227 PolarHBondContact O-N 2.95Å; V176-I227 VanDerWaalsContact CA-O 3.32Å; V176-I227 WeakPolarHBondContact CA-O 3.28Å; V176-I227 HydrophobicContact CB-CG2 4.42Å; V176-I227 HydrophobicContact CG1-CG2 4.2Å; V176-I227 HydrophobicContact CG2-CG2 3.91Å; E177-I227 PolarHBondContact N-O 2.9Å; I227-K262 HydrophobicContact CD1-CB 3.79Å; I227-K262 HydrophobicContact CD1-CD 3.99Å; I227-K262 HydrophobicContact CD1-CG 3.8Å; I227-K262 HydrophobicContact CG1-CD 4.24Å; I227-Y263 HydrophobicContact CB-CD2 4.33Å; I227-Y263 HydrophobicContact CD1-CD2 4.01Å; I227-Y263 HydrophobicContact CD1-CG 4.47Å; I227-Y263 HydrophobicContact CG2-CD2 4.49Å; I227-L266 HydrophobicContact CD1-CD1 3.86Å |
| 228 | T | 98.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 23% | 0.233 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 149.4 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 111 | E177 E179 A182 K262 | E177-T228 HydrophobicContact CB-CG2 4.37Å; E177-T228 CarbonylContact O-C 3.57Å; E177-T228 VanDerWaalsContact O-CA 3.25Å; E177-T228 WeakPolarHBondContact O-CA 3.11Å; E179-T228 WeakPolarHBondContact CG-OG1 3.49Å; A182-T228 HydrophobicContact CB-CG2 3.85Å; T228-K262 WeakPolarHBondContact O-CD 3.08Å; T228-K262 WeakPolarHBondContact O-CE 3.41Å; T228-K262 PolarHBondContact O-NZ 2.89Å |
| 229 | V | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.9 | 175.6 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | V176 E177 A178 E179 A233 I234 L255 A258 K262 | V176-V229 HydrophobicContact CG1-CG2 4.19Å; E177-V229 PolarHBondContact O-N 2.9Å; A178-V229 CarbonylContact C-O 3.6Å; A178-V229 WeakPolarHBondContact CA-O 3.36Å; E179-V229 PolarHBondContact N-O 3.46Å; V229-A233 HydrophobicContact CB-CB 4.05Å; V229-A233 HydrophobicContact CG1-CB 4.4Å; V229-I234 HydrophobicContact CG2-CD1 4.32Å; V229-I234 HydrophobicContact CG2-CG1 3.92Å; V229-L255 HydrophobicContact CG2-CD1 3.33Å; V229-A258 HydrophobicContact CB-CB 4.32Å; V229-A258 HydrophobicContact CG1-CB 4.25Å; V229-A258 HydrophobicContact CG2-CB 3.94Å; V229-K262 HydrophobicContact CG1-CB 4.19Å; V229-K262 HydrophobicContact CG1-CD 3.82Å |
| 230 | D | 92.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 37% | 0.369 | 19% | 0.186 | S | C | . | . | trans | -79.1 | 171.7 | 172.9 | 61.6 | 27.6 | 0 | 0 | 0 | 111.9 | D232 A233 I234 | D230-D232 PolarHBondContact O-N 3.22Å; D230-D232 PolarHBondContact OD1-N 2.88Å; D230-A233 PolarHBondContact O-N 3.06Å; D230-A233 VanDerWaalsContact OD1-CB 3.3Å; D230-A233 WeakPolarHBondContact OD1-CB 3.3Å; D230-A233 PolarHBondContact OD1-N 2.82Å; D230-I234 WeakPolarHBondContact O-CG1 3.46Å; D230-I234 PolarHBondContact O-N 3.4Å | ||
| 231 | S | 90.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -27 | 179 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | F202 I234 C235 | F202-S231 WeakPolarHBondContact CD1-OG 3.44Å; S231-I234 PolarHBondContact O-N 3.11Å; S231-C235 PolarHBondContact O-N 3.42Å; S231-C235 PolarHBondContact O-SG 3.39Å |
| 232 | D | 87.6 | Confident | 95 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75.5 | -40.9 | -176.9 | -65.4 | -3.9 | 0 | 0 | 0 | 110.5 | D230 I234 C235 A236 R294 | D230-D232 PolarHBondContact O-N 3.22Å; D230-D232 PolarHBondContact OD1-N 2.88Å; D232-I234 VanDerWaalsContact C-N 3.29Å; D232-I234 PolarHBondContact O-N 3.32Å; D232-C235 PolarHBondContact O-N 3.24Å; D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.41Å; D232-R294 WeakPolarHBondContact OD1-CD 3.48Å; D232-R294 IonicContact OD1-CZ 2.9Å; D232-R294 IonicContact OD1-NE 2.73Å; D232-R294 IonicContact OD1-NH1 3.53Å; D232-R294 PolarHBondContact OD1-NH1 3.45Å |
| 233 | A | 92.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V229 D230 A237 A258 | V229-A233 HydrophobicContact CB-CB 4.05Å; V229-A233 HydrophobicContact CG1-CB 4.4Å; D230-A233 PolarHBondContact O-N 3.06Å; D230-A233 VanDerWaalsContact OD1-CB 3.3Å; D230-A233 WeakPolarHBondContact OD1-CB 3.3Å; D230-A233 PolarHBondContact OD1-N 2.82Å; A233-A237 WeakPolarHBondContact O-CB 3.39Å; A233-A237 PolarHBondContact O-N 2.91Å; A233-A258 HydrophobicContact CB-CB 4.22Å; A233-A258 WeakPolarHBondContact O-CB 3.04Å |
| 234 | I | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 174 | -64.4 | 168.4 | 0 | 0 | 0 | 110.5 | A178 F202 A203 V229 D230 S231 D232 A236 A237 M238 P251 A254 L255 A258 | A178-I234 HydrophobicContact CB-CD1 4.28Å; F202-I234 HydrophobicContact CE1-CB 4.05Å; F202-I234 HydrophobicContact CE1-CG2 3.79Å; A203-I234 HydrophobicContact CB-CD1 4.45Å; V229-I234 HydrophobicContact CG2-CD1 4.32Å; V229-I234 HydrophobicContact CG2-CG1 3.92Å; D230-I234 WeakPolarHBondContact O-CG1 3.46Å; D230-I234 PolarHBondContact O-N 3.4Å; S231-I234 PolarHBondContact O-N 3.11Å; D232-I234 VanDerWaalsContact C-N 3.29Å; D232-I234 PolarHBondContact O-N 3.32Å; I234-A236 PolarHBondContact O-N 2.65Å; I234-A237 WeakPolarHBondContact O-CB 3.33Å; I234-A237 PolarHBondContact O-N 3.27Å; I234-A237 VanDerWaalsContact O-N 3.15Å; I234-M238 HydrophobicContact CG2-SD 4.39Å; I234-M238 WeakPolarHBondContact O-CG 3.24Å; I234-M238 PolarHBondContact O-N 3.19Å; I234-P251 HydrophobicContact CG2-CB 3.86Å; I234-P251 VanDerWaalsContact CG2-O 3.29Å; I234-P251 WeakPolarHBondContact CG2-O 3.44Å; I234-A254 HydrophobicContact CG2-CB 4.45Å; I234-L255 HydrophobicContact CD1-CD1 3.79Å; I234-L255 HydrophobicContact CG1-CD1 3.96Å; I234-A258 HydrophobicContact CG1-CB 4.26Å |
| 235 | C | 92.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 176 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | F202 S231 D232 A237 M238 K239 V291 R294 C295 | F202-C235 WeakPolarHBondContact CZ-SG 3.19Å; S231-C235 PolarHBondContact O-N 3.42Å; S231-C235 PolarHBondContact O-SG 3.39Å; D232-C235 PolarHBondContact O-N 3.24Å; C235-A237 VanDerWaalsContact C-N 3.27Å; C235-A237 PolarHBondContact O-N 3.24Å; C235-M238 WeakPolarHBondContact O-CB 3.46Å; C235-M238 PolarHBondContact O-N 2.87Å; C235-M238 VanDerWaalsContact O-N 3.1Å; C235-K239 PolarHBondContact O-N 2.75Å; C235-V291 HydrophobicContact CB-CG1 4.18Å; C235-R294 HydrophobicContact CB-CB 4.35Å; C235-C295 PolarHBondContact O-SG 3.35Å |
| 236 | A | 91.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D232 I234 K239 D240 | D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.41Å; I234-A236 PolarHBondContact O-N 2.65Å; A236-K239 PolarHBondContact O-N 3.01Å; A236-D240 VanDerWaalsContact O-CG 3.31Å; A236-D240 PolarHBondContact O-N 2.99Å |
| 237 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.8 | -37.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A233 I234 C235 K239 D240 L241 A254 L257 A258 | A233-A237 WeakPolarHBondContact O-CB 3.39Å; A233-A237 PolarHBondContact O-N 2.91Å; I234-A237 WeakPolarHBondContact O-CB 3.33Å; I234-A237 PolarHBondContact O-N 3.27Å; I234-A237 VanDerWaalsContact O-N 3.15Å; C235-A237 VanDerWaalsContact C-N 3.27Å; C235-A237 PolarHBondContact O-N 3.24Å; A237-K239 VanDerWaalsContact C-N 3.32Å; A237-K239 PolarHBondContact O-N 3.06Å; A237-D240 PolarHBondContact O-N 2.9Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.81Å; A237-A254 HydrophobicContact CB-CB 4.1Å; A237-L257 HydrophobicContact CB-CB 4.03Å; A237-L257 HydrophobicContact CB-CD2 4.11Å; A237-L257 HydrophobicContact CB-CG 4.04Å; A237-A258 HydrophobicContact CB-CB 3.78Å |
| 238 | M | 95.7 | Very high | 94 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 172.5 | -66.5 | 176.4 | 64.2 | 0 | 0 | 110.9 | I234 C235 L241 F242 A249 P251 A254 L288 V291 | I234-M238 HydrophobicContact CG2-SD 4.39Å; I234-M238 WeakPolarHBondContact O-CG 3.24Å; I234-M238 PolarHBondContact O-N 3.19Å; C235-M238 WeakPolarHBondContact O-CB 3.46Å; C235-M238 PolarHBondContact O-N 2.87Å; C235-M238 VanDerWaalsContact O-N 3.1Å; M238-L241 PolarHBondContact O-N 2.98Å; M238-F242 PolarHBondContact O-N 3.19Å; M238-A249 WeakPolarHBondContact CE-O 3.44Å; M238-A249 HydrophobicContact CG-CB 4.4Å; M238-P251 HydrophobicContact CE-CG 4.42Å; M238-P251 HydrophobicContact SD-CB 4.23Å; M238-P251 HydrophobicContact SD-CG 3.95Å; M238-A254 HydrophobicContact CB-CB 4.28Å; M238-A254 HydrophobicContact CG-CB 3.37Å; M238-L288 HydrophobicContact CE-CD2 4.25Å; M238-V291 HydrophobicContact CB-CG1 4.09Å; M238-V291 HydrophobicContact CE-CB 4.32Å; M238-V291 HydrophobicContact CE-CG1 3.94Å; M238-V291 HydrophobicContact CE-CG2 3.66Å; M238-V291 HydrophobicContact SD-CB 4.5Å; M238-V291 HydrophobicContact SD-CG1 3.88Å; M238-V291 HydrophobicContact SD-CG2 3.76Å |
| 239 | K | 93 | Very high | 93.9 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 15% | 0.152 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.6 | 175.4 | 169.2 | 168.3 | -72.6 | 0 | 112.2 | C235 A236 A237 L241 F242 E243 C295 E299 | C235-K239 PolarHBondContact O-N 2.75Å; A236-K239 PolarHBondContact O-N 3.01Å; A237-K239 VanDerWaalsContact C-N 3.32Å; A237-K239 PolarHBondContact O-N 3.06Å; K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 2.81Å; K239-F242 WeakPolarHBondContact O-CB 3.42Å; K239-F242 PolarHBondContact O-N 3.2Å; K239-F242 VanDerWaalsContact O-N 3.15Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 HydrophobicContact CG-CG 4.25Å; K239-E243 IonicContact NZ-OE1 3.09Å; K239-E243 PolarHBondContact NZ-OE1 3.41Å; K239-E243 IonicContact NZ-OE2 3.72Å; K239-E243 WeakPolarHBondContact O-CB 3.18Å; K239-E243 WeakPolarHBondContact O-CG 3.42Å; K239-E243 PolarHBondContact O-N 3.45Å; K239-C295 HydrophobicContact CD-CB 3.89Å; K239-E299 WeakPolarHBondContact CD-OE1 3.47Å; K239-E299 WeakPolarHBondContact CE-OE2 3.46Å; K239-E299 IonicContact NZ-OE1 2.77Å; K239-E299 PolarHBondContact NZ-OE1 3.19Å; K239-E299 IonicContact NZ-OE2 3.28Å; K239-E299 PolarHBondContact NZ-OE2 3.11Å |
| 240 | D | 94.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.6 | -72.8 | -33.9 | 0 | 0 | 0 | 112 | R7 A236 A237 E243 D244 L257 K261 | R7-D240 IonicContact CZ-OD1 3.68Å; R7-D240 IonicContact NH1-OD1 3.58Å; R7-D240 PolarHBondContact NH1-OD1 3.1Å; R7-D240 IonicContact NH2-OD1 2.79Å; R7-D240 PolarHBondContact NH2-OD1 3.49Å; R7-D240 IonicContact NH2-OD2 3.01Å; R7-D240 PolarHBondContact NH2-OD2 2.84Å; A236-D240 VanDerWaalsContact O-CG 3.31Å; A236-D240 PolarHBondContact O-N 2.99Å; A237-D240 PolarHBondContact O-N 2.9Å; D240-E243 PolarHBondContact O-N 2.91Å; D240-D244 WeakPolarHBondContact O-CB 3.4Å; D240-D244 PolarHBondContact O-N 3.44Å; D240-L257 HydrophobicContact CB-CD2 4.2Å; D240-K261 WeakPolarHBondContact OD2-CD 3.41Å; D240-K261 VanDerWaalsContact OD2-CE 3.3Å; D240-K261 WeakPolarHBondContact OD2-CE 3.27Å; D240-K261 IonicContact OD2-NZ 2.85Å; D240-K261 PolarHBondContact OD2-NZ 3.1Å |
| 241 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 175.8 | -75.6 | 163 | 0 | 0 | 0 | 112.2 | M1 V14 A237 M238 K239 V245 R246 A249 A254 L257 L278 | M1-L241 HydrophobicContact CE-CD2 3.93Å; M1-L241 HydrophobicContact SD-CD2 4.2Å; V14-L241 HydrophobicContact CG2-CD2 4.28Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.81Å; M238-L241 PolarHBondContact O-N 2.98Å; K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 2.81Å; L241-V245 HydrophobicContact CD2-CG2 4.15Å; L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 2.72Å; L241-R246 PolarHBondContact O-N 3.16Å; L241-A249 HydrophobicContact CD1-CB 3.87Å; L241-A254 HydrophobicContact CD1-CB 3.94Å; L241-L257 HydrophobicContact CD1-CD2 4.06Å; L241-L257 HydrophobicContact CD2-CD2 4Å; L241-L257 HydrophobicContact CG-CD2 3.61Å; L241-L278 HydrophobicContact CD1-CD1 3.92Å; L241-L278 HydrophobicContact CD2-CD2 4.47Å |
| 242 | F | 95 | Very high | 94.1 | Very high | 111 Ų | 111 | 31 Ų | 31 | 49% | 0.487 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 174.3 | 178.1 | -101.1 | 0 | 0 | 0 | 111.5 | M238 K239 D244 R246 A247 V248 | M238-F242 PolarHBondContact O-N 3.19Å; K239-F242 WeakPolarHBondContact O-CB 3.42Å; K239-F242 PolarHBondContact O-N 3.2Å; K239-F242 VanDerWaalsContact O-N 3.15Å; F242-D244 PolarHBondContact O-N 3.3Å; F242-R246 VanDerWaalsContact O-CA 3.24Å; F242-R246 WeakPolarHBondContact O-CA 3.2Å; F242-R246 PolarHBondContact O-N 3.01Å; F242-R246 VanDerWaalsContact O-N 3.07Å; F242-R246 PolarHBondContact O-NH1 3.39Å; F242-A247 WeakPolarHBondContact CA-O 3.38Å; F242-A247 PolarHBondContact N-O 3.26Å; F242-V248 HydrophobicContact CD2-CG2 4.37Å |
| 243 | E | 92.7 | Very high | 94.6 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.6 | -24.3 | -176.8 | -75.4 | -175.5 | 179.8 | 0 | 0 | 115 | K3 K239 D240 R246 | K3-E243 PolarHBondContact NZ-O 2.91Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 HydrophobicContact CG-CG 4.25Å; K239-E243 IonicContact NZ-OE1 3.09Å; K239-E243 PolarHBondContact NZ-OE1 3.41Å; K239-E243 IonicContact NZ-OE2 3.72Å; K239-E243 WeakPolarHBondContact O-CB 3.18Å; K239-E243 WeakPolarHBondContact O-CG 3.42Å; K239-E243 PolarHBondContact O-N 3.45Å; D240-E243 PolarHBondContact O-N 2.91Å; E243-R246 PolarHBondContact O-NH1 3.28Å |
| 244 | D | 94.6 | Very high | 94.8 | Very high | 35 Ų | 35 | 27 Ų | 27 | 19% | 0.187 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -101.7 | -41.7 | 179 | -90.8 | 12.2 | 0 | 0 | 0 | 114 | M1 K3 L4 D240 F242 | M1-D244 VanDerWaalsContact C-OD2 3.28Å; M1-D244 HydrophobicContact CB-CB 4.27Å; M1-D244 WeakPolarHBondContact CB-OD2 3.39Å; M1-D244 HydrophobicContact CE-CB 3.88Å; M1-D244 HydrophobicContact CG-CB 4.38Å; K3-D244 WeakPolarHBondContact CB-OD1 3.41Å; K3-D244 VanDerWaalsContact CD-OD1 3.27Å; K3-D244 WeakPolarHBondContact CD-OD1 3.47Å; K3-D244 WeakPolarHBondContact CG-OD1 3.48Å; K3-D244 PolarHBondContact N-OD2 3.18Å; L4-D244 WeakPolarHBondContact CB-OD2 3.02Å; L4-D244 PolarHBondContact N-OD2 3.32Å; D240-D244 WeakPolarHBondContact O-CB 3.4Å; D240-D244 PolarHBondContact O-N 3.44Å; F242-D244 PolarHBondContact O-N 3.3Å |
| 245 | V | 94.7 | Very high | 95 | Very high | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.248 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -125.8 | 8.1 | -171.8 | -61.7 | 0 | 0 | 0 | 0 | 114 | M1 V14 L241 A247 | M1-V245 HydrophobicContact CG-CG1 3.94Å; V14-V245 HydrophobicContact CG1-CG1 4.34Å; L241-V245 HydrophobicContact CD2-CG2 4.15Å; L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 2.72Å; V245-A247 HydrophobicContact CG2-CB 3.8Å; V245-A247 PolarHBondContact O-N 3.23Å; V245-A247 VanDerWaalsContact O-N 3.12Å |
| 246 | R | 94.7 | Very high | 95.3 | Very high | 164 Ų | 164 | 27 Ų | 27 | 62% | 0.619 | 13% | 0.13 | S | C | * | . | trans | 52.4 | 33.7 | 179.8 | -56.9 | -69.5 | 175 | -83.2 | -7.4 | 112.4 | L241 F242 E243 | L241-R246 PolarHBondContact O-N 3.16Å; F242-R246 VanDerWaalsContact O-CA 3.24Å; F242-R246 WeakPolarHBondContact O-CA 3.2Å; F242-R246 PolarHBondContact O-N 3.01Å; F242-R246 VanDerWaalsContact O-N 3.07Å; F242-R246 PolarHBondContact O-NH1 3.39Å; E243-R246 PolarHBondContact O-NH1 3.28Å | ||
| 247 | A | 95.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | trans | -99.1 | 136 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R16 F242 V245 L278 | R16-A247 VanDerWaalsContact NH2-CB 3.31Å; F242-A247 WeakPolarHBondContact CA-O 3.38Å; F242-A247 PolarHBondContact N-O 3.26Å; V245-A247 HydrophobicContact CG2-CB 3.8Å; V245-A247 PolarHBondContact O-N 3.23Å; V245-A247 VanDerWaalsContact O-N 3.12Å; A247-L278 HydrophobicContact CB-CD2 3.94Å | ||
| 248 | V | 95 | Very high | 95.7 | Very high | 63 Ų | 63 | 26.4 Ų | 26.4 | 38% | 0.382 | 13% | 0.125 | S | C | . | . | trans | -98.2 | 98.6 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | F242 A281 V283 L288 | F242-V248 HydrophobicContact CD2-CG2 4.37Å; V248-A281 WeakPolarHBondContact O-CB 3.31Å; V248-V283 HydrophobicContact CG1-CG1 3.92Å; V248-L288 HydrophobicContact CG1-CD1 3.98Å; V248-L288 HydrophobicContact CG1-CD2 3.76Å; V248-L288 HydrophobicContact CG1-CG 4.48Å | ||
| 249 | A | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | trans | -73.7 | 153.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M238 L241 A254 L278 | M238-A249 WeakPolarHBondContact CE-O 3.44Å; M238-A249 HydrophobicContact CG-CB 4.4Å; L241-A249 HydrophobicContact CD1-CB 3.87Å; A249-A254 HydrophobicContact CB-CB 3.99Å; A249-L278 HydrophobicContact CB-CD1 3.46Å; A249-L278 VanDerWaalsContact CB-CD1 3.46Å | ||
| 250 | E | 94.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | trans | -79.4 | 161.7 | 154.8 | 74.7 | -167.8 | -163 | 0 | 0 | 109.3 | N53 S252 G253 A254 G280 N282 V283 | N53-E250 PolarHBondContact ND2-OE1 3.28Å; N53-E250 PolarHBondContact ND2-OE2 2.92Å; E250-S252 VanDerWaalsContact C-N 3.3Å; E250-S252 PolarHBondContact O-N 3.21Å; E250-G253 VanDerWaalsContact O-CA 3.26Å; E250-G253 WeakPolarHBondContact O-CA 3.27Å; E250-G253 PolarHBondContact O-N 3.24Å; E250-A254 PolarHBondContact O-N 3.39Å; E250-G280 PolarHBondContact N-O 3.41Å; E250-N282 WeakPolarHBondContact OE2-CA 3.37Å; E250-N282 PolarHBondContact OE2-N 3.33Å; E250-V283 HydrophobicContact CB-CB 3.98Å | ||
| 251 | P | 94.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55 | -42.1 | -179.2 | -28.5 | 36.7 | 0 | 0 | 0 | 113.5 | F202 A203 I234 M238 G253 A254 L255 | F202-P251 HydrophobicContact CD1-CB 4.16Å; F202-P251 HydrophobicContact CE1-CB 3.85Å; F202-P251 HydrophobicContact CE1-CG 4.25Å; F202-P251 HydrophobicContact CE2-CG 4.05Å; F202-P251 HydrophobicContact CZ-CB 4.02Å; F202-P251 HydrophobicContact CZ-CG 3.9Å; F202-P251 WeakPolarHBondContact O-CB 3.42Å; F202-P251 WeakPolarHBondContact O-CG 3.5Å; A203-P251 HydrophobicContact CB-CB 4.13Å; I234-P251 HydrophobicContact CG2-CB 3.86Å; I234-P251 VanDerWaalsContact CG2-O 3.29Å; I234-P251 WeakPolarHBondContact CG2-O 3.44Å; M238-P251 HydrophobicContact CE-CG 4.42Å; M238-P251 HydrophobicContact SD-CB 4.23Å; M238-P251 HydrophobicContact SD-CG 3.95Å; P251-G253 VanDerWaalsContact C-N 3.26Å; P251-G253 PolarHBondContact O-N 3.44Å; P251-A254 PolarHBondContact O-N 2.98Å; P251-L255 PolarHBondContact O-N 3.15Å |
| 252 | S | 95.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -28.5 | 173 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | A203 G205 V206 E250 L255 S279 | A203-S252 VanDerWaalsContact C-OG 3.25Å; A203-S252 PolarHBondContact O-OG 2.75Å; G205-S252 VanDerWaalsContact CA-OG 3.31Å; G205-S252 WeakPolarHBondContact CA-OG 3.43Å; G205-S252 PolarHBondContact N-OG 2.79Å; V206-S252 PolarHBondContact N-OG 3.09Å; E250-S252 VanDerWaalsContact C-N 3.3Å; E250-S252 PolarHBondContact O-N 3.21Å; S252-L255 WeakPolarHBondContact O-CB 3.43Å; S252-S279 PolarHBondContact O-OG 3.32Å; S252-S279 VanDerWaalsContact O-OG 3.05Å |
| 253 | G | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E250 P251 L278 S279 | E250-G253 VanDerWaalsContact O-CA 3.26Å; E250-G253 WeakPolarHBondContact O-CA 3.27Å; E250-G253 PolarHBondContact O-N 3.24Å; P251-G253 VanDerWaalsContact C-N 3.26Å; P251-G253 PolarHBondContact O-N 3.44Å; G253-L278 WeakPolarHBondContact O-CA 3.35Å; G253-L278 WeakPolarHBondContact O-CD1 3.42Å; G253-S279 WeakPolarHBondContact CA-OG 3.42Å; G253-S279 PolarHBondContact O-N 3Å |
| 254 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -83.6 | -12.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | I234 A237 M238 L241 A249 E250 P251 A256 L257 A258 | I234-A254 HydrophobicContact CG2-CB 4.45Å; A237-A254 HydrophobicContact CB-CB 4.1Å; M238-A254 HydrophobicContact CB-CB 4.28Å; M238-A254 HydrophobicContact CG-CB 3.37Å; L241-A254 HydrophobicContact CD1-CB 3.94Å; A249-A254 HydrophobicContact CB-CB 3.99Å; E250-A254 PolarHBondContact O-N 3.39Å; P251-A254 PolarHBondContact O-N 2.98Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A254-A256 PolarHBondContact O-N 3.28Å; A254-L257 WeakPolarHBondContact O-CB 3.35Å; A254-L257 PolarHBondContact O-N 2.91Å; A254-A258 PolarHBondContact O-N 3.12Å; A254-A258 VanDerWaalsContact O-N 3.11Å |
| 255 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.9 | -47.6 | -173.6 | -178.5 | 65.2 | 0 | 0 | 0 | 113.2 | P150 V176 A178 V206 V229 I234 P251 S252 L257 A258 G259 | P150-L255 HydrophobicContact CB-CB 4.08Å; P150-L255 HydrophobicContact CB-CD2 3.82Å; P150-L255 HydrophobicContact CB-CG 4.23Å; V176-L255 HydrophobicContact CB-CG 4.31Å; V176-L255 HydrophobicContact CG1-CD1 3.99Å; V176-L255 HydrophobicContact CG1-CG 3.85Å; V176-L255 WeakPolarHBondContact CG1-O 3.44Å; V176-L255 WeakPolarHBondContact O-CD2 3.27Å; A178-L255 HydrophobicContact CB-CD1 4.39Å; V206-L255 HydrophobicContact CB-CD2 4.35Å; V206-L255 HydrophobicContact CG1-CD2 3.92Å; V206-L255 HydrophobicContact CG2-CD2 3.96Å; V229-L255 HydrophobicContact CG2-CD1 3.33Å; I234-L255 HydrophobicContact CD1-CD1 3.79Å; I234-L255 HydrophobicContact CG1-CD1 3.96Å; P251-L255 PolarHBondContact O-N 3.15Å; S252-L255 WeakPolarHBondContact O-CB 3.43Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 2.98Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 3.48Å; L255-A258 VanDerWaalsContact O-N 3.15Å; L255-G259 PolarHBondContact O-N 2.91Å |
| 256 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -33.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F148 P150 A254 M260 H276 I277 | F148-A256 HydrophobicContact CB-CB 4.23Å; F148-A256 WeakPolarHBondContact O-CB 3.27Å; P150-A256 HydrophobicContact CG-CB 4.47Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A254-A256 PolarHBondContact O-N 3.28Å; A256-M260 WeakPolarHBondContact O-CB 3.24Å; A256-M260 PolarHBondContact O-N 3.46Å; A256-H276 HydrophobicContact CB-CB 3.96Å; A256-I277 WeakPolarHBondContact CB-O 3.44Å |
| 257 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.3 | -40.4 | 175.8 | -179.2 | 60.1 | 0 | 0 | 0 | 111.6 | M1 L4 I12 A237 D240 L241 A254 L255 G259 M260 K261 | M1-L257 HydrophobicContact CE-CD2 3.98Å; L4-L257 HydrophobicContact CD2-CD1 3.49Å; L4-L257 VanDerWaalsContact CD2-CD1 3.49Å; L4-L257 HydrophobicContact CD2-CD2 4.15Å; L4-L257 HydrophobicContact CD2-CG 4.3Å; I12-L257 HydrophobicContact CG2-CD1 4.45Å; A237-L257 HydrophobicContact CB-CB 4.03Å; A237-L257 HydrophobicContact CB-CD2 4.11Å; A237-L257 HydrophobicContact CB-CG 4.04Å; D240-L257 HydrophobicContact CB-CD2 4.2Å; L241-L257 HydrophobicContact CD1-CD2 4.06Å; L241-L257 HydrophobicContact CD2-CD2 4Å; L241-L257 HydrophobicContact CG-CD2 3.61Å; A254-L257 WeakPolarHBondContact O-CB 3.35Å; A254-L257 PolarHBondContact O-N 2.91Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 2.98Å; L257-G259 VanDerWaalsContact C-N 3.32Å; L257-G259 PolarHBondContact O-N 3.13Å; L257-M260 HydrophobicContact CD1-SD 4.11Å; L257-M260 PolarHBondContact O-N 3.11Å; L257-K261 HydrophobicContact CD1-CG 4.48Å; L257-K261 HydrophobicContact CG-CD 4.38Å; L257-K261 WeakPolarHBondContact O-CG 3.36Å; L257-K261 PolarHBondContact O-N 3.08Å |
| 258 | A | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V229 A233 I234 A237 A254 L255 K261 K262 | V229-A258 HydrophobicContact CB-CB 4.32Å; V229-A258 HydrophobicContact CG1-CB 4.25Å; V229-A258 HydrophobicContact CG2-CB 3.94Å; A233-A258 HydrophobicContact CB-CB 4.22Å; A233-A258 WeakPolarHBondContact O-CB 3.04Å; I234-A258 HydrophobicContact CG1-CB 4.26Å; A237-A258 HydrophobicContact CB-CB 3.78Å; A254-A258 PolarHBondContact O-N 3.12Å; A254-A258 VanDerWaalsContact O-N 3.11Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 3.48Å; L255-A258 VanDerWaalsContact O-N 3.15Å; A258-K261 PolarHBondContact O-N 3.3Å; A258-K262 PolarHBondContact O-N 3.45Å; A258-K262 VanDerWaalsContact O-N 3.11Å |
| 259 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L255 L257 K261 K262 Y263 | L255-G259 PolarHBondContact O-N 2.91Å; L257-G259 VanDerWaalsContact C-N 3.32Å; L257-G259 PolarHBondContact O-N 3.13Å; G259-K261 PolarHBondContact O-N 2.97Å; G259-K262 PolarHBondContact O-N 3.28Å; G259-Y263 VanDerWaalsContact O-CB 3.26Å; G259-Y263 WeakPolarHBondContact O-CB 3.33Å; G259-Y263 PolarHBondContact O-N 2.93Å |
| 260 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.5 | -48.3 | 175.8 | 177.3 | -170.7 | -79.1 | 0 | 0 | 112 | I12 F148 A256 L257 K262 Y263 I264 L274 A275 H276 | I12-M260 HydrophobicContact CD1-SD 3.82Å; I12-M260 HydrophobicContact CG2-SD 3.71Å; F148-M260 HydrophobicContact CB-CB 4.32Å; F148-M260 HydrophobicContact CB-CE 4.49Å; F148-M260 HydrophobicContact CD1-CB 3.93Å; F148-M260 HydrophobicContact CD2-CB 3.75Å; F148-M260 HydrophobicContact CD2-CE 3.41Å; F148-M260 VanDerWaalsContact CD2-CE 3.41Å; F148-M260 HydrophobicContact CD2-CG 3.79Å; F148-M260 HydrophobicContact CD2-SD 4.47Å; F148-M260 HydrophobicContact CE1-CB 4.16Å; F148-M260 HydrophobicContact CE2-CB 3.97Å; F148-M260 HydrophobicContact CE2-CE 3.95Å; F148-M260 HydrophobicContact CE2-CG 3.68Å; F148-M260 HydrophobicContact CG-CB 3.72Å; F148-M260 HydrophobicContact CG-CE 4.22Å; F148-M260 HydrophobicContact CG-CG 4.29Å; F148-M260 HydrophobicContact CZ-CB 4.16Å; F148-M260 HydrophobicContact CZ-CG 4.12Å; A256-M260 WeakPolarHBondContact O-CB 3.24Å; A256-M260 PolarHBondContact O-N 3.46Å; L257-M260 HydrophobicContact CD1-SD 4.11Å; L257-M260 PolarHBondContact O-N 3.11Å; M260-K262 PolarHBondContact O-N 3.46Å; M260-Y263 PolarHBondContact O-N 3.06Å; M260-I264 HydrophobicContact CG-CD1 3.71Å; M260-I264 HydrophobicContact CG-CG1 4.41Å; M260-I264 WeakPolarHBondContact O-CD1 3.1Å; M260-I264 VanDerWaalsContact O-CG1 3.25Å; M260-I264 WeakPolarHBondContact O-CG1 2.98Å; M260-I264 PolarHBondContact O-N 2.75Å; M260-I264 HydrophobicContact SD-CD1 4.46Å; M260-L274 HydrophobicContact CE-CB 3.72Å; M260-L274 HydrophobicContact SD-CB 4.18Å; M260-A275 VanDerWaalsContact CE-O 3.31Å; M260-A275 WeakPolarHBondContact CE-O 3.47Å; M260-H276 HydrophobicContact CE-CB 3.58Å; M260-H276 HydrophobicContact SD-CB 4.44Å |
| 261 | K | 97.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 19% | 0.191 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 178.7 | -72.5 | 171.5 | 61.4 | -176 | 0 | 111.7 | L8 D240 L257 A258 G259 Y263 I264 A265 | L8-K261 HydrophobicContact CD1-CG 4.12Å; D240-K261 WeakPolarHBondContact OD2-CD 3.41Å; D240-K261 VanDerWaalsContact OD2-CE 3.3Å; D240-K261 WeakPolarHBondContact OD2-CE 3.27Å; D240-K261 IonicContact OD2-NZ 2.85Å; D240-K261 PolarHBondContact OD2-NZ 3.1Å; L257-K261 HydrophobicContact CD1-CG 4.48Å; L257-K261 HydrophobicContact CG-CD 4.38Å; L257-K261 WeakPolarHBondContact O-CG 3.36Å; L257-K261 PolarHBondContact O-N 3.08Å; A258-K261 PolarHBondContact O-N 3.3Å; G259-K261 PolarHBondContact O-N 2.97Å; K261-Y263 VanDerWaalsContact C-N 3.34Å; K261-Y263 PolarHBondContact O-N 3.18Å; K261-I264 PolarHBondContact O-N 2.88Å; K261-A265 PolarHBondContact O-N 2.78Å |
| 262 | K | 97.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 178.2 | -167.7 | 179.5 | 175.3 | 175.2 | 0 | 110.9 | E179 I227 T228 V229 A258 G259 M260 A265 L266 | E179-K262 IonicContact OE1-NZ 2.72Å; E179-K262 PolarHBondContact OE1-NZ 3.12Å; I227-K262 HydrophobicContact CD1-CB 3.79Å; I227-K262 HydrophobicContact CD1-CD 3.99Å; I227-K262 HydrophobicContact CD1-CG 3.8Å; I227-K262 HydrophobicContact CG1-CD 4.24Å; T228-K262 WeakPolarHBondContact O-CD 3.08Å; T228-K262 WeakPolarHBondContact O-CE 3.41Å; T228-K262 PolarHBondContact O-NZ 2.89Å; V229-K262 HydrophobicContact CG1-CB 4.19Å; V229-K262 HydrophobicContact CG1-CD 3.82Å; A258-K262 PolarHBondContact O-N 3.45Å; A258-K262 VanDerWaalsContact O-N 3.11Å; G259-K262 PolarHBondContact O-N 3.28Å; M260-K262 PolarHBondContact O-N 3.46Å; K262-A265 PolarHBondContact O-N 3.4Å; K262-L266 HydrophobicContact CG-CD1 4.07Å; K262-L266 VanDerWaalsContact O-CG 3.3Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 3.46Å |
| 263 | Y | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 179.3 | -162.2 | -92.7 | 0 | 0 | 0 | 112.3 | F148 I174 D225 I227 G259 M260 K261 A265 L266 H267 I269 | F148-Y263 AromaticContact CE1-CD1 3.97Å; F148-Y263 HydrophobicContact CE1-CD1 3.97Å; F148-Y263 HydrophobicContact CE1-CD2 4.33Å; F148-Y263 AromaticContact CE1-CG 3.7Å; F148-Y263 HydrophobicContact CE1-CG 3.7Å; F148-Y263 AromaticContact CZ-CD1 3.69Å; F148-Y263 HydrophobicContact CZ-CD1 3.69Å; F148-Y263 HydrophobicContact CZ-CE1 4.49Å; F148-Y263 AromaticContact CZ-CG 3.91Å; F148-Y263 HydrophobicContact CZ-CG 3.91Å; I174-Y263 HydrophobicContact CG2-CD2 4.13Å; I174-Y263 HydrophobicContact CG2-CE2 4.11Å; D225-Y263 HydrophobicContact CB-CE2 4.24Å; D225-Y263 VanDerWaalsContact OD2-CE2 3.26Å; D225-Y263 WeakPolarHBondContact OD2-CE2 3.49Å; D225-Y263 PolarHBondContact OD2-OH 2.99Å; I227-Y263 HydrophobicContact CB-CD2 4.33Å; I227-Y263 HydrophobicContact CD1-CD2 4.01Å; I227-Y263 HydrophobicContact CD1-CG 4.47Å; I227-Y263 HydrophobicContact CG2-CD2 4.49Å; G259-Y263 VanDerWaalsContact O-CB 3.26Å; G259-Y263 WeakPolarHBondContact O-CB 3.33Å; G259-Y263 PolarHBondContact O-N 2.93Å; M260-Y263 PolarHBondContact O-N 3.06Å; K261-Y263 VanDerWaalsContact C-N 3.34Å; K261-Y263 PolarHBondContact O-N 3.18Å; Y263-A265 VanDerWaalsContact C-N 3.29Å; Y263-A265 PolarHBondContact O-N 3.38Å; Y263-L266 PolarHBondContact O-N 3.42Å; Y263-H267 AromaticContact CD1-CD2 3.69Å; Y263-H267 AromaticContact CD2-CD2 3.67Å; Y263-H267 AromaticContact CD2-NE2 3.76Å; Y263-H267 AromaticContact CE1-CD2 3.55Å; Y263-H267 AromaticContact CE2-CD2 3.52Å; Y263-H267 AromaticContact CE2-NE2 3.32Å; Y263-H267 VanDerWaalsContact CE2-NE2 3.32Å; Y263-H267 WeakPolarHBondContact CE2-NE2 3.46Å; Y263-H267 AromaticContact CG-CD2 3.74Å; Y263-H267 AromaticContact CZ-CD2 3.45Å; Y263-H267 VanDerWaalsContact CZ-CD2 3.45Å; Y263-H267 AromaticContact CZ-NE2 3.51Å; Y263-H267 WeakPolarHBondContact O-CB 3.42Å; Y263-H267 PolarHBondContact O-CD2 3.48Å; Y263-H267 VanDerWaalsContact O-CD2 3.26Å; Y263-H267 PolarHBondContact O-N 3.38Å; Y263-I269 HydrophobicContact CD1-CD1 3.43Å; Y263-I269 VanDerWaalsContact CD1-CD1 3.43Å; Y263-I269 HydrophobicContact CE1-CD1 3.66Å |
| 264 | I | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 175.1 | -70.4 | 162.7 | 0 | 0 | 0 | 110.8 | L8 I12 M260 K261 N268 I269 L274 | L8-I264 HydrophobicContact CB-CD1 4.49Å; L8-I264 HydrophobicContact CD1-CD1 3.77Å; I12-I264 HydrophobicContact CD1-CD1 3.99Å; M260-I264 HydrophobicContact CG-CD1 3.71Å; M260-I264 HydrophobicContact CG-CG1 4.41Å; M260-I264 WeakPolarHBondContact O-CD1 3.1Å; M260-I264 VanDerWaalsContact O-CG1 3.25Å; M260-I264 WeakPolarHBondContact O-CG1 2.98Å; M260-I264 PolarHBondContact O-N 2.75Å; M260-I264 HydrophobicContact SD-CD1 4.46Å; K261-I264 PolarHBondContact O-N 2.88Å; I264-N268 WeakPolarHBondContact O-CA 3.39Å; I264-N268 PolarHBondContact O-N 3.19Å; I264-I269 HydrophobicContact CG1-CB 4.37Å; I264-I269 HydrophobicContact CG2-CB 4.37Å; I264-I269 PolarHBondContact O-N 3.33Å; I264-I269 VanDerWaalsContact O-N 3.14Å; I264-L274 HydrophobicContact CD1-CD1 3.49Å; I264-L274 VanDerWaalsContact CD1-CD1 3.49Å; I264-L274 HydrophobicContact CG1-CD1 3.63Å |
| 265 | A | 96.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.7 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K261 K262 Y263 H267 | K261-A265 PolarHBondContact O-N 2.78Å; K262-A265 PolarHBondContact O-N 3.4Å; Y263-A265 VanDerWaalsContact C-N 3.29Å; Y263-A265 PolarHBondContact O-N 3.38Å; A265-H267 VanDerWaalsContact C-N 3.34Å; A265-H267 PolarHBondContact O-N 2.95Å |
| 266 | L | 97.3 | Very high | 97.9 | Very high | 117 Ų | 117 | 43.4 Ų | 43.4 | 61% | 0.613 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.5 | -35.7 | -179.3 | -72.5 | 172.9 | 0 | 0 | 0 | 113 | I227 K262 Y263 | I227-L266 HydrophobicContact CD1-CD1 3.86Å; K262-L266 HydrophobicContact CG-CD1 4.07Å; K262-L266 VanDerWaalsContact O-CG 3.3Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 3.46Å; Y263-L266 PolarHBondContact O-N 3.42Å |
| 267 | H | 97.7 | Very high | 97.9 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -102.8 | 3 | -176 | -64 | -77 | 0 | 0 | 0 | 114 | Y263 A265 I269 | Y263-H267 AromaticContact CD1-CD2 3.69Å; Y263-H267 AromaticContact CD2-CD2 3.67Å; Y263-H267 AromaticContact CD2-NE2 3.76Å; Y263-H267 AromaticContact CE1-CD2 3.55Å; Y263-H267 AromaticContact CE2-CD2 3.52Å; Y263-H267 AromaticContact CE2-NE2 3.32Å; Y263-H267 VanDerWaalsContact CE2-NE2 3.32Å; Y263-H267 WeakPolarHBondContact CE2-NE2 3.46Å; Y263-H267 AromaticContact CG-CD2 3.74Å; Y263-H267 AromaticContact CZ-CD2 3.45Å; Y263-H267 VanDerWaalsContact CZ-CD2 3.45Å; Y263-H267 AromaticContact CZ-NE2 3.51Å; Y263-H267 WeakPolarHBondContact O-CB 3.42Å; Y263-H267 PolarHBondContact O-CD2 3.48Å; Y263-H267 VanDerWaalsContact O-CD2 3.26Å; Y263-H267 PolarHBondContact O-N 3.38Å; A265-H267 VanDerWaalsContact C-N 3.34Å; A265-H267 PolarHBondContact O-N 2.95Å; H267-I269 VanDerWaalsContact C-N 3.26Å; H267-I269 HydrophobicContact CB-CD1 3.8Å; H267-I269 HydrophobicContact CB-CG1 3.78Å; H267-I269 PolarHBondContact O-N 2.9Å |
| 268 | N | 96.7 | Very high | 97.9 | Very high | 112 Ų | 112 | 43.4 Ų | 43.4 | 60% | 0.599 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 46.7 | -176.6 | -171.1 | 38.8 | 0 | 0 | 0 | 112.9 | I264 R270 | I264-N268 WeakPolarHBondContact O-CA 3.39Å; I264-N268 PolarHBondContact O-N 3.19Å; N268-R270 PolarHBondContact OD1-NE 3.24Å |
| 269 | I | 97.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | trans | -74.7 | 131.4 | -176.6 | -64.2 | 160.4 | 0 | 0 | 0 | 109.5 | N10 R146 Y263 I264 H267 E272 L274 | N10-I269 PolarHBondContact ND2-O 3.37Å; R146-I269 VanDerWaalsContact NH1-CG1 3.26Å; Y263-I269 HydrophobicContact CD1-CD1 3.43Å; Y263-I269 VanDerWaalsContact CD1-CD1 3.43Å; Y263-I269 HydrophobicContact CE1-CD1 3.66Å; I264-I269 HydrophobicContact CG1-CB 4.37Å; I264-I269 HydrophobicContact CG2-CB 4.37Å; I264-I269 PolarHBondContact O-N 3.33Å; I264-I269 VanDerWaalsContact O-N 3.14Å; H267-I269 VanDerWaalsContact C-N 3.26Å; H267-I269 HydrophobicContact CB-CD1 3.8Å; H267-I269 HydrophobicContact CB-CG1 3.78Å; H267-I269 PolarHBondContact O-N 2.9Å; I269-E272 HydrophobicContact CG2-CB 4Å; I269-E272 HydrophobicContact CG2-CG 3.92Å; I269-L274 HydrophobicContact CG2-CD1 4.19Å | ||
| 270 | R | 97.2 | Very high | 97.8 | Very high | 158 Ų | 158 | 43.5 Ų | 43.5 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | trans | -144.6 | 149 | 178.9 | -62 | 179.3 | -180 | -124.8 | 4 | 110.8 | D9 N10 N268 E272 | D9-R270 HydrophobicContact CB-CG 4.43Å; D9-R270 CarbonylContact O-C 3.59Å; D9-R270 WeakPolarHBondContact O-CA 3.28Å; D9-R270 WeakPolarHBondContact OD2-CD 3.28Å; D9-R270 IonicContact OD2-NH1 3.3Å; D9-R270 PolarHBondContact OD2-NH1 3.02Å; N10-R270 VanDerWaalsContact OD1-C 3.24Å; N10-R270 VanDerWaalsContact OD1-CA 3.31Å; N10-R270 WeakPolarHBondContact OD1-CA 3.39Å; N268-R270 PolarHBondContact OD1-NE 3.24Å; R270-E272 PolarHBondContact O-N 3.26Å | ||
| 271 | G | 97.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 68% | 0.68 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 71.6 | 9.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D9 N10 | D9-G271 PolarHBondContact O-N 3.35Å; N10-G271 PolarHBondContact OD1-N 2.94Å; N10-G271 VanDerWaalsContact OD1-N 3.14Å |
| 272 | E | 98.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | trans | -96.1 | 160.8 | -178.1 | -70.1 | -167 | -154.5 | 0 | 0 | 113.1 | N10 V11 D145 R146 I269 R270 L274 | N10-E272 PolarHBondContact OD1-N 3.44Å; V11-E272 PolarHBondContact N-O 2.98Å; D145-E272 HydrophobicContact CB-CB 4.15Å; D145-E272 HydrophobicContact CB-CG 4.29Å; D145-E272 VanDerWaalsContact CB-OE2 3.29Å; D145-E272 WeakPolarHBondContact CB-OE2 3.43Å; D145-E272 WeakPolarHBondContact OD2-CA 3.12Å; D145-E272 WeakPolarHBondContact OD2-CB 3.28Å; R146-E272 VanDerWaalsContact CZ-CD 3.47Å; R146-E272 IonicContact CZ-OE1 3.02Å; R146-E272 IonicContact CZ-OE2 3.16Å; R146-E272 IonicContact NE-OE2 2.92Å; R146-E272 IonicContact NH1-OE1 3.8Å; R146-E272 PolarHBondContact NH1-OE1 2.99Å; R146-E272 IonicContact NH1-OE2 2.8Å; R146-E272 PolarHBondContact NH1-OE2 3.07Å; R146-E272 IonicContact NH2-OE1 3.19Å; R146-E272 PolarHBondContact NH2-OE1 3.06Å; R146-E272 IonicContact NH2-OE2 2.73Å; R146-E272 PolarHBondContact NH2-OE2 2.94Å; R146-E272 VanDerWaalsContact NH2-OE2 3.16Å; I269-E272 HydrophobicContact CG2-CB 4Å; I269-E272 HydrophobicContact CG2-CG 3.92Å; R270-E272 PolarHBondContact O-N 3.26Å; E272-L274 HydrophobicContact CB-CD2 3.87Å; E272-L274 HydrophobicContact CB-CG 4.17Å | ||
| 273 | R | 98.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110 | 172.9 | -57.8 | -173.4 | 69.7 | 82.6 | -1.2 | 109.8 | V11 D141 H143 L144 D145 | V11-R273 HydrophobicContact CB-CB 4.48Å; V11-R273 HydrophobicContact CB-CG 4.12Å; V11-R273 HydrophobicContact CG2-CG 4.4Å; D141-R273 IonicContact OD1-NE 3.8Å; D141-R273 IonicContact OD2-CZ 3.34Å; D141-R273 IonicContact OD2-NE 3.1Å; D141-R273 PolarHBondContact OD2-NE 3.47Å; D141-R273 VanDerWaalsContact OD2-NE 3.1Å; D141-R273 IonicContact OD2-NH2 2.72Å; D141-R273 PolarHBondContact OD2-NH2 3.43Å; H143-R273 WeakPolarHBondContact O-CD 3.39Å; L144-R273 HydrophobicContact CD2-CB 4.46Å; D145-R273 PolarHBondContact N-O 3.21Å; D145-R273 PolarHBondContact OD2-N 3.39Å |
| 274 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130 | -171.1 | -49.4 | 173.3 | 0 | 0 | 0 | 109.7 | N10 V11 I12 L13 R146 F148 M260 I264 I269 E272 | N10-L274 HydrophobicContact CB-CD1 4.15Å; V11-L274 PolarHBondContact O-N 2.97Å; I12-L274 HydrophobicContact CD1-CB 4.05Å; I12-L274 HydrophobicContact CD1-CD1 3.98Å; I12-L274 HydrophobicContact CD1-CG 4.43Å; L13-L274 PolarHBondContact N-O 3.21Å; R146-L274 HydrophobicContact CB-CD2 3.7Å; R146-L274 HydrophobicContact CG-CD2 3.72Å; F148-L274 HydrophobicContact CE2-CB 4.49Å; M260-L274 HydrophobicContact CE-CB 3.72Å; M260-L274 HydrophobicContact SD-CB 4.18Å; I264-L274 HydrophobicContact CD1-CD1 3.49Å; I264-L274 VanDerWaalsContact CD1-CD1 3.49Å; I264-L274 HydrophobicContact CG1-CD1 3.63Å; I269-L274 HydrophobicContact CG2-CD1 4.19Å; E272-L274 HydrophobicContact CB-CD2 3.87Å; E272-L274 HydrophobicContact CB-CG 4.17Å |
| 275 | A | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L13 L137 L144 R146 V147 F148 M260 | L13-A275 HydrophobicContact CB-CB 4.28Å; L13-A275 WeakPolarHBondContact O-CA 3.14Å; L137-A275 HydrophobicContact CD1-CB 4Å; L144-A275 HydrophobicContact CD1-CB 3.99Å; L144-A275 HydrophobicContact CD2-CB 3.77Å; R146-A275 PolarHBondContact O-N 3.39Å; V147-A275 CarbonylContact C-O 3.5Å; V147-A275 WeakPolarHBondContact CA-O 3.43Å; V147-A275 HydrophobicContact CG2-CB 4.45Å; F148-A275 PolarHBondContact N-O 3.16Å; M260-A275 VanDerWaalsContact CE-O 3.31Å; M260-A275 WeakPolarHBondContact CE-O 3.47Å |
| 276 | H | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.1 | 168.1 | 73.1 | 92.1 | 0 | 0 | 0 | 110.4 | M1 L13 V14 K15 F148 A256 M260 | M1-H276 PolarHBondContact SD-NE2 2.76Å; L13-H276 PolarHBondContact O-CD2 2.79Å; L13-H276 PolarHBondContact O-N 2.86Å; V14-H276 WeakPolarHBondContact CA-O 3.34Å; V14-H276 WeakPolarHBondContact CB-NE2 3.24Å; V14-H276 WeakPolarHBondContact CG2-CE1 3.12Å; K15-H276 PolarHBondContact N-O 2.87Å; F148-H276 HydrophobicContact CB-CB 4.23Å; A256-H276 HydrophobicContact CB-CB 3.96Å; M260-H276 HydrophobicContact CE-CB 3.58Å; M260-H276 HydrophobicContact SD-CB 4.44Å |
| 277 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.9 | 176.9 | -59 | 174.2 | 0 | 0 | 0 | 109.4 | K15 E17 L133 F148 V149 L156 V160 A256 S279 | K15-I277 HydrophobicContact CB-CG1 4.32Å; E17-I277 HydrophobicContact CG-CG2 4.21Å; L133-I277 HydrophobicContact CD1-CD1 4.01Å; L133-I277 HydrophobicContact CD1-CG1 4.43Å; L133-I277 HydrophobicContact CD1-CG2 3.87Å; L133-I277 HydrophobicContact CD2-CD1 3.62Å; L133-I277 HydrophobicContact CD2-CG1 4.08Å; F148-I277 PolarHBondContact O-N 2.83Å; V149-I277 HydrophobicContact CB-CD1 4.31Å; V149-I277 HydrophobicContact CG1-CD1 3.98Å; V149-I277 HydrophobicContact CG2-CD1 3.86Å; L156-I277 HydrophobicContact CD2-CD1 4.44Å; L156-I277 HydrophobicContact CD2-CG2 4.3Å; V160-I277 HydrophobicContact CG2-CD1 4.04Å; A256-I277 WeakPolarHBondContact CB-O 3.44Å; I277-S279 PolarHBondContact O-N 3.5Å |
| 278 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 92.5 | 164.2 | 175 | 55.9 | 0 | 0 | 0 | 107.7 | V14 K15 E17 D18 L241 A247 A249 G253 | V14-L278 HydrophobicContact CG2-CB 3.68Å; K15-L278 PolarHBondContact O-N 3.05Å; E17-L278 WeakPolarHBondContact CB-O 3.48Å; E17-L278 PolarHBondContact N-O 3.18Å; E17-L278 VanDerWaalsContact N-O 3.12Å; D18-L278 HydrophobicContact CB-CD2 3.99Å; D18-L278 HydrophobicContact CB-CG 4.01Å; D18-L278 PolarHBondContact N-O 3.18Å; D18-L278 VanDerWaalsContact OD1-CD2 3.28Å; D18-L278 WeakPolarHBondContact OD1-CD2 3.42Å; L241-L278 HydrophobicContact CD1-CD1 3.92Å; L241-L278 HydrophobicContact CD2-CD2 4.47Å; A247-L278 HydrophobicContact CB-CD2 3.94Å; A249-L278 HydrophobicContact CB-CD1 3.46Å; A249-L278 VanDerWaalsContact CB-CD1 3.46Å; G253-L278 WeakPolarHBondContact O-CA 3.35Å; G253-L278 WeakPolarHBondContact O-CD1 3.42Å |
| 279 | S | 97.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | trans | -78.1 | -23.4 | -163.2 | 70.7 | 0 | 0 | 0 | 0 | 114.7 | S24 F25 S252 G253 I277 | S24-S279 VanDerWaalsContact CA-O 3.27Å; S24-S279 WeakPolarHBondContact CA-O 3.4Å; S24-S279 WeakPolarHBondContact CB-O 3.36Å; F25-S279 WeakPolarHBondContact CD1-O 3.46Å; F25-S279 PolarHBondContact N-O 3.46Å; S252-S279 PolarHBondContact O-OG 3.32Å; S252-S279 VanDerWaalsContact O-OG 3.05Å; G253-S279 WeakPolarHBondContact CA-OG 3.42Å; G253-S279 PolarHBondContact O-N 3Å; I277-S279 PolarHBondContact O-N 3.5Å | ||
| 280 | G | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -169.4 | 167.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H23 E250 | H23-G280 CarbonylContact O-C 3.53Å; H23-G280 VanDerWaalsContact O-CA 3.22Å; H23-G280 WeakPolarHBondContact O-CA 3.41Å; E250-G280 PolarHBondContact N-O 3.41Å |
| 281 | A | 95.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | trans | -142.9 | 18.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D18 H23 V248 V283 | D18-A281 HydrophobicContact CB-CB 3.65Å; H23-A281 HydrophobicContact CB-CB 4.48Å; H23-A281 PolarHBondContact O-N 2.61Å; V248-A281 WeakPolarHBondContact O-CB 3.31Å; A281-V283 VanDerWaalsContact C-N 3.25Å; A281-V283 PolarHBondContact O-N 2.78Å | ||
| 282 | N | 90.9 | Very high | 91 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | trans | -85.7 | 64 | -178.6 | -73.9 | -49.2 | 0 | 0 | 0 | 111.4 | V22 N53 Q56 E250 | V22-N282 PolarHBondContact O-ND2 2.91Å; N53-N282 VanDerWaalsContact OD1-CB 3.32Å; N53-N282 WeakPolarHBondContact OD1-CB 3.22Å; N53-N282 PolarHBondContact OD1-ND2 3.44Å; Q56-N282 PolarHBondContact OE1-ND2 3.47Å; E250-N282 WeakPolarHBondContact OE2-CA 3.37Å; E250-N282 PolarHBondContact OE2-N 3.33Å | ||
| 283 | V | 88 | Confident | 90 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 26% | 0.255 | 24% | 0.241 | S | C | . | . | trans | -96.9 | 143.1 | 178.8 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | V248 E250 A281 F285 L288 | V248-V283 HydrophobicContact CG1-CG1 3.92Å; E250-V283 HydrophobicContact CB-CB 3.98Å; A281-V283 VanDerWaalsContact C-N 3.25Å; A281-V283 PolarHBondContact O-N 2.78Å; V283-F285 PolarHBondContact O-N 3.49Å; V283-L288 HydrophobicContact CG1-CD2 4.23Å | ||
| 284 | N | 83 | Confident | 89 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | trans | -67.6 | 127 | 167 | -176.8 | -27.5 | 0 | 0 | 0 | 108.9 | H286 G287 | N284-H286 PolarHBondContact O-N 3.26Å; N284-H286 VanDerWaalsContact O-N 3.14Å; N284-H286 PolarHBondContact OD1-N 3.26Å; N284-G287 WeakPolarHBondContact O-CA 3.41Å; N284-G287 PolarHBondContact O-N 2.95Å | ||
| 285 | F | 85.8 | Confident | 87.9 | Confident | 156 Ų | 156 | 47.5 Ų | 47.5 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -39.4 | -179.4 | -175.1 | -101.2 | 0 | 0 | 0 | 113.1 | V283 G287 L288 | V283-F285 PolarHBondContact O-N 3.49Å; F285-G287 PolarHBondContact O-N 3.41Å; F285-L288 HydrophobicContact CD2-CD1 3.84Å; F285-L288 HydrophobicContact CE2-CD1 4.08Å; F285-L288 VanDerWaalsContact O-CB 3.27Å; F285-L288 WeakPolarHBondContact O-CB 3.45Å; F285-L288 WeakPolarHBondContact O-CG 3.42Å; F285-L288 PolarHBondContact O-N 2.97Å |
| 286 | H | 83.6 | Confident | 86.6 | Confident | 150 Ų | 150 | 51.2 Ų | 51.2 | 69% | 0.694 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | 178 | -63.5 | -63.5 | 0 | 0 | 0 | 113.4 | N284 L288 R289 | N284-H286 PolarHBondContact O-N 3.26Å; N284-H286 VanDerWaalsContact O-N 3.14Å; N284-H286 PolarHBondContact OD1-N 3.26Å; H286-L288 PolarHBondContact O-N 2.83Å; H286-R289 WeakPolarHBondContact O-CB 3.27Å; H286-R289 PolarHBondContact O-N 3.37Å |
| 287 | G | 81.6 | Confident | 85.1 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -23.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | N284 F285 R289 Y290 V291 | N284-G287 WeakPolarHBondContact O-CA 3.41Å; N284-G287 PolarHBondContact O-N 2.95Å; F285-G287 PolarHBondContact O-N 3.41Å; G287-R289 PolarHBondContact O-N 3.47Å; G287-Y290 PolarHBondContact O-N 3.47Å; G287-V291 PolarHBondContact O-N 3.45Å |
| 288 | L | 87.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -26 | 176.3 | -61.4 | 175.8 | 0 | 0 | 0 | 112.7 | M238 V248 V283 F285 H286 V291 S292 | M238-L288 HydrophobicContact CE-CD2 4.25Å; V248-L288 HydrophobicContact CG1-CD1 3.98Å; V248-L288 HydrophobicContact CG1-CD2 3.76Å; V248-L288 HydrophobicContact CG1-CG 4.48Å; V283-L288 HydrophobicContact CG1-CD2 4.23Å; F285-L288 HydrophobicContact CD2-CD1 3.84Å; F285-L288 HydrophobicContact CE2-CD1 4.08Å; F285-L288 VanDerWaalsContact O-CB 3.27Å; F285-L288 WeakPolarHBondContact O-CB 3.45Å; F285-L288 WeakPolarHBondContact O-CG 3.42Å; F285-L288 PolarHBondContact O-N 2.97Å; H286-L288 PolarHBondContact O-N 2.83Å; L288-V291 PolarHBondContact O-N 2.98Å; L288-S292 WeakPolarHBondContact O-CB 3.48Å; L288-S292 PolarHBondContact O-N 3.25Å |
| 289 | R | 84.8 | Confident | 82.1 | Confident | 153 Ų | 153 | 56.4 Ų | 56.4 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 174 | 179.2 | 178.4 | 172 | 174.8 | -1.8 | 110.9 | H286 G287 V291 S292 E293 | H286-R289 WeakPolarHBondContact O-CB 3.27Å; H286-R289 PolarHBondContact O-N 3.37Å; G287-R289 PolarHBondContact O-N 3.47Å; R289-V291 VanDerWaalsContact C-N 3.32Å; R289-V291 PolarHBondContact O-N 3.47Å; R289-S292 PolarHBondContact O-N 2.85Å; R289-E293 IonicContact CZ-OE1 2.7Å; R289-E293 IonicContact NE-OE1 3.58Å; R289-E293 PolarHBondContact NE-OE1 3.25Å; R289-E293 IonicContact NH2-OE1 3.83Å; R289-E293 PolarHBondContact NH2-OE1 3.31Å; R289-E293 WeakPolarHBondContact O-CG 3.39Å; R289-E293 PolarHBondContact O-N 3.33Å |
| 290 | Y | 81.4 | Confident | 80.9 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 177.7 | 176.4 | -94.2 | 0 | 0 | 0 | 111.5 | F202 G287 S292 E293 R294 | F202-Y290 HydrophobicContact CD2-CD1 4.14Å; F202-Y290 AromaticContact CD2-CE1 3.69Å; F202-Y290 HydrophobicContact CD2-CE1 3.69Å; F202-Y290 AromaticContact CE2-CD1 3.57Å; F202-Y290 HydrophobicContact CE2-CD1 3.57Å; F202-Y290 AromaticContact CE2-CE1 3.43Å; F202-Y290 HydrophobicContact CE2-CE1 3.43Å; F202-Y290 VanDerWaalsContact CE2-CE1 3.43Å; F202-Y290 HydrophobicContact CZ-CD1 4.42Å; F202-Y290 HydrophobicContact CZ-CE1 4.19Å; G287-Y290 PolarHBondContact O-N 3.47Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 3.46Å; Y290-E293 PolarHBondContact O-N 3.28Å; Y290-R294 HydrophobicContact CD1-CG 4.49Å; Y290-R294 HydrophobicContact CE1-CG 4.08Å; Y290-R294 HydrophobicContact CE2-CG 4.29Å; Y290-R294 WeakPolarHBondContact O-CB 3.3Å; Y290-R294 PolarHBondContact O-N 2.82Å; Y290-R294 PolarHBondContact OH-NE 3.38Å; Y290-R294 PolarHBondContact OH-NH1 2.96Å; Y290-R294 PolarHBondContact OH-NH2 3.43Å; Y290-R294 VanDerWaalsContact OH-NH2 3.16Å |
| 291 | V | 83.9 | Confident | 80 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | F202 C235 M238 G287 L288 R289 R294 C295 | F202-V291 HydrophobicContact CE2-CG2 4.35Å; F202-V291 HydrophobicContact CZ-CG2 4.22Å; C235-V291 HydrophobicContact CB-CG1 4.18Å; M238-V291 HydrophobicContact CB-CG1 4.09Å; M238-V291 HydrophobicContact CE-CB 4.32Å; M238-V291 HydrophobicContact CE-CG1 3.94Å; M238-V291 HydrophobicContact CE-CG2 3.66Å; M238-V291 HydrophobicContact SD-CB 4.5Å; M238-V291 HydrophobicContact SD-CG1 3.88Å; M238-V291 HydrophobicContact SD-CG2 3.76Å; G287-V291 PolarHBondContact O-N 3.45Å; L288-V291 PolarHBondContact O-N 2.98Å; R289-V291 VanDerWaalsContact C-N 3.32Å; R289-V291 PolarHBondContact O-N 3.47Å; V291-R294 PolarHBondContact O-N 2.93Å; V291-C295 WeakPolarHBondContact O-CB 3.44Å; V291-C295 PolarHBondContact O-N 3.37Å; V291-C295 PolarHBondContact O-SG 2.92Å |
| 292 | S | 83.3 | Confident | 79.5 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 46% | 0.462 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -50.9 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | L288 R289 Y290 R294 C295 E296 | L288-S292 WeakPolarHBondContact O-CB 3.48Å; L288-S292 PolarHBondContact O-N 3.25Å; R289-S292 PolarHBondContact O-N 2.85Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 3.46Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 3.17Å; S292-C295 PolarHBondContact O-N 2.95Å; S292-E296 PolarHBondContact O-N 3Å |
| 293 | E | 76.6 | Confident | 79.4 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 179.9 | -71.1 | 177.6 | -171 | 0 | 0 | 111.3 | R289 Y290 L297 Y385 R430 | R289-E293 IonicContact CZ-OE1 2.7Å; R289-E293 IonicContact NE-OE1 3.58Å; R289-E293 PolarHBondContact NE-OE1 3.25Å; R289-E293 IonicContact NH2-OE1 3.83Å; R289-E293 PolarHBondContact NH2-OE1 3.31Å; R289-E293 WeakPolarHBondContact O-CG 3.39Å; R289-E293 PolarHBondContact O-N 3.33Å; Y290-E293 PolarHBondContact O-N 3.28Å; E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.24Å; E293-Y385 PolarHBondContact OE1-OH 2.79Å; E293-Y385 PolarHBondContact OE2-OH 3.36Å; E293-Y385 VanDerWaalsContact OE2-OH 3.04Å; E293-R430 IonicContact OE1-NH2 2.75Å |
| 294 | R | 77 | Confident | 79.5 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.5 | -83.5 | -131.4 | 168.6 | 168.4 | 1 | 113.9 | D232 C235 Y290 V291 S292 E296 L297 G298 E377 | D232-R294 WeakPolarHBondContact OD1-CD 3.48Å; D232-R294 IonicContact OD1-CZ 2.9Å; D232-R294 IonicContact OD1-NE 2.73Å; D232-R294 IonicContact OD1-NH1 3.53Å; D232-R294 PolarHBondContact OD1-NH1 3.45Å; C235-R294 HydrophobicContact CB-CB 4.35Å; Y290-R294 HydrophobicContact CD1-CG 4.49Å; Y290-R294 HydrophobicContact CE1-CG 4.08Å; Y290-R294 HydrophobicContact CE2-CG 4.29Å; Y290-R294 WeakPolarHBondContact O-CB 3.3Å; Y290-R294 PolarHBondContact O-N 2.82Å; Y290-R294 PolarHBondContact OH-NE 3.38Å; Y290-R294 PolarHBondContact OH-NH1 2.96Å; Y290-R294 PolarHBondContact OH-NH2 3.43Å; Y290-R294 VanDerWaalsContact OH-NH2 3.16Å; V291-R294 PolarHBondContact O-N 2.93Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 3.17Å; R294-E296 VanDerWaalsContact C-N 3.34Å; R294-E296 PolarHBondContact O-N 3.15Å; R294-L297 PolarHBondContact O-N 3.21Å; R294-G298 PolarHBondContact O-N 3.3Å; R294-E377 IonicContact NH2-OE2 2.9Å |
| 295 | C | 76.1 | Confident | 80 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177 | -72.8 | 0 | 0 | 0 | 0 | 112 | C235 K239 V291 S292 L297 E299 | C235-C295 PolarHBondContact O-SG 3.35Å; K239-C295 HydrophobicContact CD-CB 3.89Å; V291-C295 WeakPolarHBondContact O-CB 3.44Å; V291-C295 PolarHBondContact O-N 3.37Å; V291-C295 PolarHBondContact O-SG 2.92Å; S292-C295 PolarHBondContact O-N 2.95Å; C295-L297 VanDerWaalsContact C-N 3.32Å; C295-L297 PolarHBondContact O-N 3.5Å; C295-E299 WeakPolarHBondContact O-CB 3.44Å; C295-E299 WeakPolarHBondContact O-CG 3.33Å; C295-E299 PolarHBondContact O-N 3.07Å |
| 296 | E | 70.1 | Confident | 80.4 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | -178.8 | -70.7 | 179.1 | 158.5 | 0 | 0 | 111.9 | S292 R294 R301 | S292-E296 PolarHBondContact O-N 3Å; R294-E296 VanDerWaalsContact C-N 3.34Å; R294-E296 PolarHBondContact O-N 3.15Å; E296-R301 PolarHBondContact O-N 3.14Å |
| 297 | L | 67.3 | Low | 80.9 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.6 | -46.2 | 179.3 | -63.7 | 166.3 | 0 | 0 | 0 | 112 | E293 R294 C295 Q300 L304 K380 | E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.24Å; R294-L297 PolarHBondContact O-N 3.21Å; C295-L297 VanDerWaalsContact C-N 3.32Å; C295-L297 PolarHBondContact O-N 3.5Å; L297-Q300 PolarHBondContact O-N 3.28Å; L297-L304 HydrophobicContact CD2-CD1 3.69Å; L297-L304 HydrophobicContact CD2-CG 4.09Å; L297-K380 HydrophobicContact CD1-CB 4.07Å; L297-K380 HydrophobicContact CD1-CD 3.79Å; L297-K380 HydrophobicContact CD1-CG 3.69Å; L297-K380 HydrophobicContact CD2-CG 4.22Å |
| 298 | G | 66.5 | Low | 81.5 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.2 | -32.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R294 Q300 | R294-G298 PolarHBondContact O-N 3.3Å; G298-Q300 PolarHBondContact O-N 2.84Å |
| 299 | E | 68.2 | Low | 81.7 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 5.3 | 174.4 | -68.7 | -172.2 | 175.8 | 0 | 0 | 113.1 | K239 C295 R301 | K239-E299 WeakPolarHBondContact CD-OE1 3.47Å; K239-E299 WeakPolarHBondContact CE-OE2 3.46Å; K239-E299 IonicContact NZ-OE1 2.77Å; K239-E299 PolarHBondContact NZ-OE1 3.19Å; K239-E299 IonicContact NZ-OE2 3.28Å; K239-E299 PolarHBondContact NZ-OE2 3.11Å; C295-E299 WeakPolarHBondContact O-CB 3.44Å; C295-E299 WeakPolarHBondContact O-CG 3.33Å; C295-E299 PolarHBondContact O-N 3.07Å; E299-R301 HydrophobicContact CB-CG 3.86Å; E299-R301 PolarHBondContact O-N 3Å; E299-R301 VanDerWaalsContact O-N 3.16Å; E299-R301 WeakPolarHBondContact OE2-CD 3.28Å; E299-R301 IonicContact OE2-CZ 3.6Å; E299-R301 IonicContact OE2-NE 2.76Å; E299-R301 PolarHBondContact OE2-NE 2.69Å; E299-R301 IonicContact OE2-NH1 3.54Å; E299-R301 IonicContact OE2-NH2 2.72Å; E299-R301 PolarHBondContact OE2-NH2 2.91Å |
| 300 | Q | 70.9 | Confident | 82 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36.4 | -176.4 | -57.5 | 173.6 | -20.3 | 0 | 0 | 111.5 | L297 G298 L349 G352 L353 | L297-Q300 PolarHBondContact O-N 3.28Å; G298-Q300 PolarHBondContact O-N 2.84Å; Q300-L349 WeakPolarHBondContact O-CB 3.41Å; Q300-L349 WeakPolarHBondContact O-CD1 3.41Å; Q300-G352 WeakPolarHBondContact O-CA 3.41Å; Q300-L353 VanDerWaalsContact CD-CG 3.43Å; Q300-L353 VanDerWaalsContact NE2-CG 3.34Å; Q300-L353 VanDerWaalsContact OE1-CD1 3.25Å |
| 301 | R | 78.2 | Confident | 82.4 | Confident | 115 Ų | 115 | 34.1 Ų | 34.1 | 43% | 0.434 | 19% | 0.185 | S | C | . | . | trans | -90.8 | -6.1 | 177.9 | -73.4 | -169.8 | 179.9 | -168.7 | 5.7 | 112.6 | E296 E299 R348 L349 | E296-R301 PolarHBondContact O-N 3.14Å; E299-R301 HydrophobicContact CB-CG 3.86Å; E299-R301 PolarHBondContact O-N 3Å; E299-R301 VanDerWaalsContact O-N 3.16Å; E299-R301 WeakPolarHBondContact OE2-CD 3.28Å; E299-R301 IonicContact OE2-CZ 3.6Å; E299-R301 IonicContact OE2-NE 2.76Å; E299-R301 PolarHBondContact OE2-NE 2.69Å; E299-R301 IonicContact OE2-NH1 3.54Å; E299-R301 IonicContact OE2-NH2 2.72Å; E299-R301 PolarHBondContact OE2-NH2 2.91Å; R301-R348 CarbonylContact O-C 3.57Å; R301-R348 WeakPolarHBondContact O-CA 3.36Å; R301-L349 PolarHBondContact O-N 2.89Å | ||
| 302 | E | 84.5 | Confident | 82.5 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.1 | 175.3 | -174 | 173.1 | -134.1 | 0 | 0 | 109.1 | L304 T329 V347 R384 | E302-L304 HydrophobicContact CG-CD2 4.18Å; E302-T329 VanDerWaalsContact OE1-CB 3.29Å; E302-T329 WeakPolarHBondContact OE1-CB 3.33Å; E302-T329 PolarHBondContact OE1-OG1 2.9Å; E302-V347 CarbonylContact C-O 3.57Å; E302-V347 WeakPolarHBondContact CA-O 3.49Å; E302-R384 IonicContact OE2-NH2 3.2Å |
| 303 | A | 88.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | L305 G346 V347 L349 R356 S374 | A303-L305 HydrophobicContact CB-CD2 4.36Å; A303-L305 HydrophobicContact CB-CG 4.32Å; A303-G346 CarbonylContact O-C 3.56Å; A303-G346 WeakPolarHBondContact O-CA 3.46Å; A303-V347 PolarHBondContact N-O 2.73Å; A303-V347 PolarHBondContact O-N 2.85Å; A303-L349 HydrophobicContact CB-CD1 3.98Å; A303-L349 HydrophobicContact CB-CD2 4.1Å; A303-L349 HydrophobicContact CB-CG 4.23Å; A303-R356 HydrophobicContact CB-CG 4.18Å; A303-S374 WeakPolarHBondContact CA-OG 3.4Å |
| 304 | L | 90.5 | Very high | 83 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.5 | 170.5 | -62.7 | 178.1 | 0 | 0 | 0 | 108.6 | L297 E302 F344 L373 S374 K380 | L297-L304 HydrophobicContact CD2-CD1 3.69Å; L297-L304 HydrophobicContact CD2-CG 4.09Å; E302-L304 HydrophobicContact CG-CD2 4.18Å; L304-F344 HydrophobicContact CB-CZ 4.21Å; L304-F344 HydrophobicContact CD1-CZ 4.21Å; L304-F344 HydrophobicContact CD2-CE1 3.99Å; L304-F344 HydrophobicContact CD2-CZ 4.08Å; L304-F344 HydrophobicContact CG-CZ 4.41Å; L304-L373 HydrophobicContact CB-CB 4.39Å; L304-L373 CarbonylContact O-C 3.6Å; L304-L373 WeakPolarHBondContact O-CA 3.48Å; L304-L373 PolarHBondContact O-N 2.77Å; L304-S374 PolarHBondContact N-OG 3.3Å; L304-S374 PolarHBondContact O-N 3.26Å; L304-S374 PolarHBondContact O-OG 2.96Å; L304-K380 HydrophobicContact CD1-CG 3.81Å |
| 305 | L | 93.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.6 | -172.7 | -55.5 | 177.4 | 0 | 0 | 0 | 109.8 | A303 V307 F344 V345 I359 L360 L363 V370 D372 | A303-L305 HydrophobicContact CB-CD2 4.36Å; A303-L305 HydrophobicContact CB-CG 4.32Å; L305-V307 HydrophobicContact CB-CG2 4.07Å; L305-F344 WeakPolarHBondContact O-CA 3.47Å; L305-V345 PolarHBondContact N-O 2.91Å; L305-V345 PolarHBondContact O-N 3.23Å; L305-I359 HydrophobicContact CD1-CG2 3.75Å; L305-L360 HydrophobicContact CD2-CD2 3.62Å; L305-L363 HydrophobicContact CD1-CD1 3.83Å; L305-V370 HydrophobicContact CB-CG2 4.3Å; L305-V370 HydrophobicContact CD2-CG2 4.26Å; L305-D372 HydrophobicContact CD2-CB 4.32Å |
| 306 | A | 94.5 | Very high | 83.9 | Confident | 20 Ų | 20 | 40.2 Ų | 40.2 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | I343 V370 V371 L373 | A306-I343 WeakPolarHBondContact CA-O 3.32Å; A306-V370 CarbonylContact O-C 3.52Å; A306-V370 WeakPolarHBondContact O-CA 3.31Å; A306-V371 HydrophobicContact CB-CB 4.43Å; A306-V371 PolarHBondContact N-O 2.84Å; A306-V371 PolarHBondContact O-N 2.81Å; A306-L373 HydrophobicContact CB-CD1 3.65Å; A306-L373 HydrophobicContact CB-CG 4.29Å |
| 307 | V | 94.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135 | -178.1 | -169.8 | 0 | 0 | 0 | 0 | 109 | L305 I309 F319 I343 L363 Y368 S369 V370 | L305-V307 HydrophobicContact CB-CG2 4.07Å; V307-I309 HydrophobicContact CG1-CG2 4.14Å; V307-F319 HydrophobicContact CB-CE2 4.14Å; V307-F319 HydrophobicContact CG1-CD2 4.33Å; V307-F319 HydrophobicContact CG1-CE2 3.83Å; V307-F319 HydrophobicContact CG2-CE2 3.99Å; V307-F319 HydrophobicContact CG2-CZ 4.14Å; V307-I343 HydrophobicContact CB-CD1 4.09Å; V307-I343 HydrophobicContact CB-CG1 3.77Å; V307-I343 PolarHBondContact N-O 3.11Å; V307-I343 WeakPolarHBondContact O-CG1 3.42Å; V307-I343 PolarHBondContact O-N 3.33Å; V307-L363 HydrophobicContact CG2-CD1 4.05Å; V307-Y368 HydrophobicContact CG1-CG 4.23Å; V307-S369 WeakPolarHBondContact CA-O 3.37Å; V307-V370 HydrophobicContact CG2-CB 4.37Å; V307-V370 HydrophobicContact CG2-CG2 4Å |
| 308 | T | 93.6 | Very high | 85.7 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.4 | 169.9 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | N340 A341 S369 | T308-N340 HydrophobicContact CG2-CB 3.69Å; T308-A341 CarbonylContact C-O 3.55Å; T308-A341 WeakPolarHBondContact CA-O 3.4Å; T308-S369 PolarHBondContact N-O 2.97Å |
| 309 | I | 92.3 | Very high | 86.8 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.2 | 175.2 | 70.6 | 179.2 | 0 | 0 | 0 | 109.8 | V307 E311 F319 A341 I343 Y368 | V307-I309 HydrophobicContact CG1-CG2 4.14Å; I309-E311 PolarHBondContact O-N 2.78Å; I309-F319 HydrophobicContact CG2-CB 4.36Å; I309-F319 HydrophobicContact CG2-CD2 4.06Å; I309-F319 HydrophobicContact CG2-CG 4.33Å; I309-A341 HydrophobicContact CD1-CB 4.26Å; I309-A341 HydrophobicContact CG1-CB 3.57Å; I309-A341 PolarHBondContact N-O 3.07Å; I309-A341 PolarHBondContact O-N 3.21Å; I309-I343 HydrophobicContact CD1-CD1 4.28Å; I309-I343 HydrophobicContact CD1-CG2 4.05Å; I309-I343 HydrophobicContact CG1-CG2 4.39Å; I309-I343 HydrophobicContact CG2-CD1 3.96Å; I309-I343 HydrophobicContact CG2-CG1 4.42Å; I309-Y368 HydrophobicContact CB-CD1 4.25Å; I309-Y368 HydrophobicContact CB-CE1 3.99Å; I309-Y368 HydrophobicContact CG2-CD1 3.72Å; I309-Y368 HydrophobicContact CG2-CE1 3.65Å |
| 310 | P | 90.7 | Very high | 87.6 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 134.5 | 174.3 | -21.5 | 33 | 0 | 0 | 0 | 111.4 | E312 S315 | P310-E312 HydrophobicContact CB-CG 4.42Å; P310-E312 PolarHBondContact O-N 3.44Å; P310-S315 WeakPolarHBondContact O-CB 3.48Å; P310-S315 PolarHBondContact O-OG 2.92Å |
| 311 | E | 89.2 | Confident | 88.4 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.1 | 69 | 178.3 | -166.6 | 66.8 | -92.7 | 0 | 0 | 110.8 | I309 Y333 F335 D337 K339 A341 | I309-E311 PolarHBondContact O-N 2.78Å; E311-Y333 PolarHBondContact OE1-OH 2.79Å; E311-Y333 PolarHBondContact OE2-OH 3.1Å; E311-F335 HydrophobicContact CG-CD2 4.12Å; E311-F335 HydrophobicContact CG-CE2 3.76Å; E311-D337 WeakPolarHBondContact CG-O 3.4Å; E311-K339 VanDerWaalsContact CB-C 3.49Å; E311-K339 PolarHBondContact N-O 2.97Å; E311-A341 WeakPolarHBondContact OE2-CA 3.29Å; E311-A341 VanDerWaalsContact OE2-CB 3.29Å; E311-A341 WeakPolarHBondContact OE2-CB 3.47Å |
| 312 | E | 86.9 | Confident | 88.9 | Confident | 135 Ų | 135 | 37.3 Ų | 37.3 | 63% | 0.631 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -139.5 | 151.4 | -176.3 | -62.5 | -179.9 | -174.3 | 0 | 0 | 111.5 | P310 G314 S315 | P310-E312 HydrophobicContact CB-CG 4.42Å; P310-E312 PolarHBondContact O-N 3.44Å; E312-G314 PolarHBondContact O-N 3.37Å; E312-S315 VanDerWaalsContact O-CB 3.3Å; E312-S315 WeakPolarHBondContact O-CB 3.2Å; E312-S315 PolarHBondContact O-N 3.33Å; E312-S315 PolarHBondContact O-OG 3.24Å |
| 313 | K | 84.5 | Confident | 89 | Confident | 125 Ų | 125 | 36.9 Ų | 36.9 | 54% | 0.543 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 129.7 | 178.2 | -64.3 | -174.2 | -179.6 | -171.1 | 0 | 111 | S315 Y421 | K313-S315 VanDerWaalsContact C-N 3.34Å; K313-Y421 PolarHBondContact NZ-O 3.5Å |
| 314 | G | 85 | Confident | 88.6 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -4.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E312 F316 L317 K318 G419 | E312-G314 PolarHBondContact O-N 3.37Å; G314-F316 VanDerWaalsContact C-N 3.28Å; G314-F316 PolarHBondContact O-N 2.94Å; G314-L317 PolarHBondContact O-N 3.43Å; G314-K318 WeakPolarHBondContact O-CG 3.46Å; G314-K318 PolarHBondContact O-N 3.49Å; G314-G419 PolarHBondContact N-O 2.88Å |
| 315 | S | 87.6 | Confident | 87.9 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 174.3 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | P310 E312 K313 K318 F319 | P310-S315 WeakPolarHBondContact O-CB 3.48Å; P310-S315 PolarHBondContact O-OG 2.92Å; E312-S315 VanDerWaalsContact O-CB 3.3Å; E312-S315 WeakPolarHBondContact O-CB 3.2Å; E312-S315 PolarHBondContact O-N 3.33Å; E312-S315 PolarHBondContact O-OG 3.24Å; K313-S315 VanDerWaalsContact C-N 3.34Å; S315-K318 PolarHBondContact O-N 3.03Å; S315-F319 PolarHBondContact O-N 2.71Å |
| 316 | F | 85.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.4 | -175.5 | -163.2 | 0 | 0 | 0 | 112 | G314 K318 F319 C320 F331 L411 L415 I424 F427 | G314-F316 VanDerWaalsContact C-N 3.28Å; G314-F316 PolarHBondContact O-N 2.94Å; F316-K318 PolarHBondContact O-N 2.67Å; F316-F319 HydrophobicContact CD2-CD1 4.46Å; F316-F319 WeakPolarHBondContact O-CB 3.42Å; F316-F319 PolarHBondContact O-N 3.23Å; F316-C320 WeakPolarHBondContact CE2-SG 3.33Å; F316-C320 PolarHBondContact O-N 3.06Å; F316-F331 HydrophobicContact CD1-CE1 4.44Å; F316-F331 HydrophobicContact CD1-CZ 4.29Å; F316-F331 HydrophobicContact CD2-CE1 4.33Å; F316-F331 AromaticContact CD2-CE2 3.62Å; F316-F331 HydrophobicContact CD2-CE2 3.62Å; F316-F331 AromaticContact CD2-CZ 3.47Å; F316-F331 HydrophobicContact CD2-CZ 3.47Å; F316-F331 VanDerWaalsContact CD2-CZ 3.47Å; F316-F331 HydrophobicContact CE1-CD1 4.36Å; F316-F331 AromaticContact CE1-CE1 3.86Å; F316-F331 HydrophobicContact CE1-CE1 3.86Å; F316-F331 AromaticContact CE1-CZ 3.97Å; F316-F331 HydrophobicContact CE1-CZ 3.97Å; F316-F331 HydrophobicContact CE2-CD1 4.26Å; F316-F331 AromaticContact CE2-CD2 3.54Å; F316-F331 HydrophobicContact CE2-CD2 3.54Å; F316-F331 AromaticContact CE2-CE1 3.78Å; F316-F331 HydrophobicContact CE2-CE1 3.78Å; F316-F331 AromaticContact CE2-CE2 3Å; F316-F331 HydrophobicContact CE2-CE2 3Å; F316-F331 HydrophobicContact CE2-CG 4.13Å; F316-F331 AromaticContact CE2-CZ 3.12Å; F316-F331 HydrophobicContact CE2-CZ 3.12Å; F316-F331 HydrophobicContact CG-CZ 4.09Å; F316-F331 AromaticContact CZ-CD1 3.78Å; F316-F331 HydrophobicContact CZ-CD1 3.78Å; F316-F331 AromaticContact CZ-CD2 3.78Å; F316-F331 HydrophobicContact CZ-CD2 3.78Å; F316-F331 AromaticContact CZ-CE1 3.5Å; F316-F331 HydrophobicContact CZ-CE1 3.5Å; F316-F331 AromaticContact CZ-CE2 3.56Å; F316-F331 HydrophobicContact CZ-CE2 3.56Å; F316-F331 AromaticContact CZ-CG 3.88Å; F316-F331 HydrophobicContact CZ-CG 3.88Å; F316-F331 AromaticContact CZ-CZ 3.39Å; F316-F331 HydrophobicContact CZ-CZ 3.39Å; F316-L411 HydrophobicContact CZ-CD1 4.31Å; F316-L415 HydrophobicContact CD1-CD1 3.85Å; F316-L415 HydrophobicContact CD1-CD2 3.27Å; F316-L415 HydrophobicContact CD1-CG 4.2Å; F316-L415 HydrophobicContact CD2-CD1 4.06Å; F316-L415 HydrophobicContact CE1-CD1 3.88Å; F316-L415 HydrophobicContact CE1-CD2 3.5Å; F316-L415 HydrophobicContact CE1-CG 4.24Å; F316-L415 HydrophobicContact CE2-CD1 4.04Å; F316-L415 HydrophobicContact CG-CD1 3.93Å; F316-L415 HydrophobicContact CG-CD2 4.03Å; F316-L415 HydrophobicContact CZ-CD1 3.97Å; F316-L415 HydrophobicContact CZ-CD2 4.39Å; F316-I424 HydrophobicContact CD1-CD1 4.29Å; F316-F427 HydrophobicContact CE1-CB 4.45Å; F316-F427 AromaticContact CE1-CD1 3.69Å; F316-F427 HydrophobicContact CE1-CD1 3.69Å; F316-F427 HydrophobicContact CE1-CD2 4.15Å; F316-F427 AromaticContact CE1-CE1 3.85Å; F316-F427 HydrophobicContact CE1-CE1 3.85Å; F316-F427 HydrophobicContact CE1-CE2 4.34Å; F316-F427 AromaticContact CE1-CG 3.82Å; F316-F427 HydrophobicContact CE1-CG 3.82Å; F316-F427 HydrophobicContact CE1-CZ 4.18Å; F316-F427 AromaticContact CZ-CD1 3.89Å; F316-F427 HydrophobicContact CZ-CD1 3.89Å; F316-F427 AromaticContact CZ-CE1 3.9Å; F316-F427 HydrophobicContact CZ-CE1 3.9Å; F316-F427 HydrophobicContact CZ-CG 4.47Å |
| 317 | L | 86.7 | Confident | 86.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.3 | 177.7 | 64.2 | 0 | 0 | 0 | 111.5 | G314 F319 C320 Q321 L412 L415 N416 T420 | G314-L317 PolarHBondContact O-N 3.43Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.65Å; L317-C320 PolarHBondContact O-N 3.44Å; L317-Q321 HydrophobicContact CD1-CG 4.4Å; L317-Q321 VanDerWaalsContact O-CG 3.31Å; L317-Q321 WeakPolarHBondContact O-CG 3.35Å; L317-Q321 PolarHBondContact O-N 2.91Å; L317-L412 HydrophobicContact CD1-CD2 3.91Å; L317-L415 HydrophobicContact CB-CB 4.25Å; L317-L415 HydrophobicContact CD1-CB 3.88Å; L317-N416 VanDerWaalsContact CD2-OD1 3.28Å; L317-N416 WeakPolarHBondContact CD2-OD1 3.32Å; L317-T420 HydrophobicContact CD2-CG2 3.78Å |
| 318 | K | 87.5 | Confident | 86.5 | Confident | 120 Ų | 120 | 48.8 Ų | 48.8 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.7 | -69.7 | 173.4 | -176.1 | 170.3 | 0 | 111.6 | G314 S315 F316 Q321 L322 | G314-K318 WeakPolarHBondContact O-CG 3.46Å; G314-K318 PolarHBondContact O-N 3.49Å; S315-K318 PolarHBondContact O-N 3.03Å; F316-K318 PolarHBondContact O-N 2.67Å; K318-Q321 PolarHBondContact O-N 3.33Å; K318-L322 PolarHBondContact O-N 3.03Å |
| 319 | F | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176 | 173.9 | -97.6 | 0 | 0 | 0 | 111.9 | V307 I309 S315 F316 L317 Q321 L322 L323 F331 I343 V345 L363 Y368 | V307-F319 HydrophobicContact CB-CE2 4.14Å; V307-F319 HydrophobicContact CG1-CD2 4.33Å; V307-F319 HydrophobicContact CG1-CE2 3.83Å; V307-F319 HydrophobicContact CG2-CE2 3.99Å; V307-F319 HydrophobicContact CG2-CZ 4.14Å; I309-F319 HydrophobicContact CG2-CB 4.36Å; I309-F319 HydrophobicContact CG2-CD2 4.06Å; I309-F319 HydrophobicContact CG2-CG 4.33Å; S315-F319 PolarHBondContact O-N 2.71Å; F316-F319 HydrophobicContact CD2-CD1 4.46Å; F316-F319 WeakPolarHBondContact O-CB 3.42Å; F316-F319 PolarHBondContact O-N 3.23Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.65Å; F319-Q321 VanDerWaalsContact C-N 3.31Å; F319-Q321 PolarHBondContact O-N 2.74Å; F319-L322 PolarHBondContact O-N 3.01Å; F319-L323 HydrophobicContact CD1-CD1 4.31Å; F319-L323 HydrophobicContact CE1-CD1 3.61Å; F319-L323 HydrophobicContact CE1-CG 4.32Å; F319-L323 HydrophobicContact CZ-CD1 3.84Å; F319-L323 HydrophobicContact CZ-CG 4.26Å; F319-L323 PolarHBondContact O-N 2.89Å; F319-L323 VanDerWaalsContact O-N 3.16Å; F319-F331 HydrophobicContact CD1-CE2 4.31Å; F319-F331 HydrophobicContact CE1-CE2 4.19Å; F319-I343 HydrophobicContact CD1-CD1 3.74Å; F319-I343 HydrophobicContact CD2-CD1 4.17Å; F319-I343 HydrophobicContact CE1-CD1 3.58Å; F319-I343 HydrophobicContact CE2-CD1 4.02Å; F319-I343 HydrophobicContact CG-CD1 4.04Å; F319-I343 HydrophobicContact CZ-CD1 3.73Å; F319-V345 HydrophobicContact CE1-CG1 4.27Å; F319-V345 HydrophobicContact CE1-CG2 3.89Å; F319-V345 HydrophobicContact CZ-CG1 4.38Å; F319-V345 HydrophobicContact CZ-CG2 3.93Å; F319-L363 HydrophobicContact CD2-CD2 4.07Å; F319-L363 HydrophobicContact CE2-CD1 4.36Å; F319-L363 HydrophobicContact CE2-CD2 3.53Å; F319-L363 HydrophobicContact CZ-CD2 4.42Å; F319-Y368 HydrophobicContact CD2-CD2 4.47Å; F319-Y368 HydrophobicContact CD2-CE2 4.3Å |
| 320 | C | 85.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 176.9 | -73.8 | 0 | 0 | 0 | 0 | 113.1 | F316 L317 L323 L412 L415 | F316-C320 WeakPolarHBondContact CE2-SG 3.33Å; F316-C320 PolarHBondContact O-N 3.06Å; L317-C320 PolarHBondContact O-N 3.44Å; C320-L323 PolarHBondContact O-N 3.35Å; C320-L412 HydrophobicContact CB-CD2 3.7Å; C320-L415 HydrophobicContact CB-CD1 4.29Å |
| 321 | Q | 87.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.4 | -74.3 | 172.8 | -14.5 | 0 | 0 | 111.6 | L317 K318 F319 L323 G324 L412 | L317-Q321 HydrophobicContact CD1-CG 4.4Å; L317-Q321 VanDerWaalsContact O-CG 3.31Å; L317-Q321 WeakPolarHBondContact O-CG 3.35Å; L317-Q321 PolarHBondContact O-N 2.91Å; K318-Q321 PolarHBondContact O-N 3.33Å; F319-Q321 VanDerWaalsContact C-N 3.31Å; F319-Q321 PolarHBondContact O-N 2.74Å; Q321-L323 VanDerWaalsContact C-N 3.3Å; Q321-L323 PolarHBondContact O-N 3.12Å; Q321-G324 PolarHBondContact O-N 3.01Å; Q321-G324 VanDerWaalsContact O-N 3.07Å; Q321-L412 HydrophobicContact CG-CD2 4.21Å |
| 322 | L | 89.3 | Confident | 85.9 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -37.3 | 177.1 | -176 | 64.4 | 0 | 0 | 0 | 111.9 | K318 F319 G324 M362 L363 Y368 | K318-L322 PolarHBondContact O-N 3.03Å; F319-L322 PolarHBondContact O-N 3.01Å; L322-G324 PolarHBondContact O-N 2.93Å; L322-M362 HydrophobicContact CD1-CG 3.99Å; L322-M362 HydrophobicContact CG-CG 4.07Å; L322-M362 HydrophobicContact CG-SD 4.38Å; L322-L363 HydrophobicContact CD2-CD2 3.98Å; L322-Y368 HydrophobicContact CD2-CD2 3.75Å; L322-Y368 HydrophobicContact CD2-CE2 3.48Å; L322-Y368 VanDerWaalsContact CD2-CE2 3.48Å |
| 323 | L | 86.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -10.6 | 175.8 | -71.5 | 178.1 | 0 | 0 | 0 | 113.9 | F319 C320 Q321 G325 R326 V328 V347 I359 L363 | F319-L323 HydrophobicContact CD1-CD1 4.31Å; F319-L323 HydrophobicContact CE1-CD1 3.61Å; F319-L323 HydrophobicContact CE1-CG 4.32Å; F319-L323 HydrophobicContact CZ-CD1 3.84Å; F319-L323 HydrophobicContact CZ-CG 4.26Å; F319-L323 PolarHBondContact O-N 2.89Å; F319-L323 VanDerWaalsContact O-N 3.16Å; C320-L323 PolarHBondContact O-N 3.35Å; Q321-L323 VanDerWaalsContact C-N 3.3Å; Q321-L323 PolarHBondContact O-N 3.12Å; L323-G325 PolarHBondContact O-N 3.24Å; L323-R326 WeakPolarHBondContact O-CB 2.75Å; L323-R326 VanDerWaalsContact O-CG 3.24Å; L323-R326 WeakPolarHBondContact O-CG 3.46Å; L323-R326 PolarHBondContact O-N 3.16Å; L323-V328 HydrophobicContact CD1-CG2 3.9Å; L323-V347 HydrophobicContact CD1-CG2 4.34Å; L323-V347 HydrophobicContact CD2-CG2 4.47Å; L323-I359 HydrophobicContact CD2-CG2 4.25Å; L323-L363 HydrophobicContact CD2-CD2 4.2Å |
| 324 | G | 78.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 31.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q321 L322 R326 | Q321-G324 PolarHBondContact O-N 3.01Å; Q321-G324 VanDerWaalsContact O-N 3.07Å; L322-G324 PolarHBondContact O-N 2.93Å; G324-R326 VanDerWaalsContact C-N 3.3Å; G324-R326 PolarHBondContact O-N 3.22Å |
| 325 | G | 77.5 | Confident | 86.6 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 73% | 0.732 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | 4.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L323 | L323-G325 PolarHBondContact O-N 3.24Š|
| 326 | R | 83.7 | Confident | 86.5 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 18% | 0.181 | 22% | 0.22 | C | C | . | . | trans | -58 | 142.8 | 168 | -67.7 | -178.3 | -176 | 116.1 | -10.1 | 110.3 | L323 G324 V328 V347 E355 M362 | L323-R326 WeakPolarHBondContact O-CB 2.75Å; L323-R326 VanDerWaalsContact O-CG 3.24Å; L323-R326 WeakPolarHBondContact O-CG 3.46Å; L323-R326 PolarHBondContact O-N 3.16Å; G324-R326 VanDerWaalsContact C-N 3.3Å; G324-R326 PolarHBondContact O-N 3.22Å; R326-V328 PolarHBondContact O-N 3.07Å; R326-V347 HydrophobicContact CB-CG1 3.94Å; R326-E355 IonicContact NE-OE1 3.23Å; R326-M362 VanDerWaalsContact NH1-CE 3.28Å; R326-M362 PolarHBondContact NH1-SD 3.41Å | ||
| 327 | S | 82.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 49% | 0.49 | 24% | 0.235 | S | C | . | . | trans | -75 | 108.1 | -178.7 | -55 | 0 | 0 | 0 | 0 | 110.6 | T329 R348 | S327-T329 PolarHBondContact O-N 3.47Å; S327-R348 PolarHBondContact O-N 2.81Å | ||
| 328 | V | 85.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 124.4 | 167.4 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | L323 R326 E330 F331 V345 G346 Y429 | L323-V328 HydrophobicContact CD1-CG2 3.9Å; R326-V328 PolarHBondContact O-N 3.07Å; V328-E330 VanDerWaalsContact CG1-O 3.29Å; V328-E330 WeakPolarHBondContact CG1-O 3.29Å; V328-F331 HydrophobicContact CG1-CB 4.23Å; V328-V345 HydrophobicContact CG1-CG1 4.14Å; V328-G346 CarbonylContact C-O 3.52Å; V328-G346 WeakPolarHBondContact CA-O 3.48Å; V328-Y429 HydrophobicContact CG1-CD1 4.33Å; V328-Y429 HydrophobicContact CG1-CE1 4.44Å; V328-Y429 WeakPolarHBondContact O-CE1 3.26Å |
| 329 | T | 83.3 | Confident | 86.3 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -31.8 | 178.7 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | E302 S327 G346 R348 R430 S431 | E302-T329 VanDerWaalsContact OE1-CB 3.29Å; E302-T329 WeakPolarHBondContact OE1-CB 3.33Å; E302-T329 PolarHBondContact OE1-OG1 2.9Å; S327-T329 PolarHBondContact O-N 3.47Å; T329-G346 PolarHBondContact N-O 3.39Å; T329-G346 WeakPolarHBondContact OG1-CA 3.27Å; T329-G346 PolarHBondContact OG1-O 2.87Å; T329-G346 VanDerWaalsContact OG1-O 3.1Å; T329-R348 HydrophobicContact CG2-CB 3.79Å; T329-R430 WeakPolarHBondContact O-CA 3.42Å; T329-S431 PolarHBondContact O-N 3.16Å |
| 330 | E | 87.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.3 | -178.9 | -173.9 | 166.4 | -164 | 0 | 0 | 110 | V328 N332 V345 G346 R384 Y429 | V328-E330 VanDerWaalsContact CG1-O 3.29Å; V328-E330 WeakPolarHBondContact CG1-O 3.29Å; E330-N332 WeakPolarHBondContact CG-ND2 3.49Å; E330-N332 PolarHBondContact OE1-ND2 3.4Å; E330-V345 CarbonylContact O-C 3.49Å; E330-V345 WeakPolarHBondContact O-CA 3.45Å; E330-G346 PolarHBondContact N-O 3.16Å; E330-G346 PolarHBondContact O-N 3.24Å; E330-R384 IonicContact OE1-NE 3.73Å; E330-R384 IonicContact OE2-CZ 3.82Å; E330-R384 IonicContact OE2-NE 2.94Å; E330-R384 PolarHBondContact OE2-NE 2.96Å; E330-R384 IonicContact OE2-NH2 3.42Å; E330-R384 PolarHBondContact OE2-NH2 2.93Å; E330-Y429 CarbonylContact C-O 3.59Å; E330-Y429 VanDerWaalsContact CA-O 3.28Å; E330-Y429 WeakPolarHBondContact CA-O 3.09Å |
| 331 | F | 89.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 119 | 170.2 | -171.6 | -76.6 | 0 | 0 | 0 | 109.2 | F316 F319 V328 I343 F344 V345 F427 H428 Y429 | F316-F331 HydrophobicContact CD1-CE1 4.44Å; F316-F331 HydrophobicContact CD1-CZ 4.29Å; F316-F331 HydrophobicContact CD2-CE1 4.33Å; F316-F331 AromaticContact CD2-CE2 3.62Å; F316-F331 HydrophobicContact CD2-CE2 3.62Å; F316-F331 AromaticContact CD2-CZ 3.47Å; F316-F331 HydrophobicContact CD2-CZ 3.47Å; F316-F331 VanDerWaalsContact CD2-CZ 3.47Å; F316-F331 HydrophobicContact CE1-CD1 4.36Å; F316-F331 AromaticContact CE1-CE1 3.86Å; F316-F331 HydrophobicContact CE1-CE1 3.86Å; F316-F331 AromaticContact CE1-CZ 3.97Å; F316-F331 HydrophobicContact CE1-CZ 3.97Å; F316-F331 HydrophobicContact CE2-CD1 4.26Å; F316-F331 AromaticContact CE2-CD2 3.54Å; F316-F331 HydrophobicContact CE2-CD2 3.54Å; F316-F331 AromaticContact CE2-CE1 3.78Å; F316-F331 HydrophobicContact CE2-CE1 3.78Å; F316-F331 AromaticContact CE2-CE2 3Å; F316-F331 HydrophobicContact CE2-CE2 3Å; F316-F331 HydrophobicContact CE2-CG 4.13Å; F316-F331 AromaticContact CE2-CZ 3.12Å; F316-F331 HydrophobicContact CE2-CZ 3.12Å; F316-F331 HydrophobicContact CG-CZ 4.09Å; F316-F331 AromaticContact CZ-CD1 3.78Å; F316-F331 HydrophobicContact CZ-CD1 3.78Å; F316-F331 AromaticContact CZ-CD2 3.78Å; F316-F331 HydrophobicContact CZ-CD2 3.78Å; F316-F331 AromaticContact CZ-CE1 3.5Å; F316-F331 HydrophobicContact CZ-CE1 3.5Å; F316-F331 AromaticContact CZ-CE2 3.56Å; F316-F331 HydrophobicContact CZ-CE2 3.56Å; F316-F331 AromaticContact CZ-CG 3.88Å; F316-F331 HydrophobicContact CZ-CG 3.88Å; F316-F331 AromaticContact CZ-CZ 3.39Å; F316-F331 HydrophobicContact CZ-CZ 3.39Å; F319-F331 HydrophobicContact CD1-CE2 4.31Å; F319-F331 HydrophobicContact CE1-CE2 4.19Å; V328-F331 HydrophobicContact CG1-CB 4.23Å; F331-I343 HydrophobicContact CE1-CB 4.5Å; F331-I343 HydrophobicContact CE1-CG2 4.27Å; F331-I343 HydrophobicContact CE2-CB 4.13Å; F331-I343 HydrophobicContact CE2-CD1 3.59Å; F331-I343 HydrophobicContact CE2-CG1 4.4Å; F331-I343 HydrophobicContact CE2-CG2 4.38Å; F331-I343 HydrophobicContact CZ-CB 3.86Å; F331-I343 HydrophobicContact CZ-CD1 3.93Å; F331-I343 HydrophobicContact CZ-CG1 4.5Å; F331-I343 HydrophobicContact CZ-CG2 3.67Å; F331-F344 CarbonylContact C-O 3.37Å; F331-F344 WeakPolarHBondContact CA-O 3.48Å; F331-V345 HydrophobicContact CD2-CG1 4.39Å; F331-V345 HydrophobicContact CD2-CG2 3.7Å; F331-V345 HydrophobicContact CE2-CG2 3.85Å; F331-F427 HydrophobicContact CD1-CB 4.29Å; F331-F427 AromaticContact CD1-CD1 3.54Å; F331-F427 HydrophobicContact CD1-CD1 3.54Å; F331-F427 HydrophobicContact CD1-CE1 4.36Å; F331-F427 HydrophobicContact CD1-CG 4.34Å; F331-F427 HydrophobicContact CE1-CB 4.17Å; F331-F427 HydrophobicContact CE1-CD1 4.03Å; F331-F427 HydrophobicContact CE1-CG 4.47Å; F331-F427 HydrophobicContact CG-CD1 4.29Å; F331-H428 CarbonylContact O-C 3.57Å; F331-H428 VanDerWaalsContact O-CA 3.3Å; F331-H428 WeakPolarHBondContact O-CA 3.29Å; F331-Y429 PolarHBondContact N-O 3.27Å; F331-Y429 PolarHBondContact O-N 3.1Å |
| 332 | N | 92.2 | Very high | 86.7 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.3 | 178.6 | -54 | -46 | 0 | 0 | 0 | 110.1 | E330 F344 R384 V387 F427 H428 | E330-N332 WeakPolarHBondContact CG-ND2 3.49Å; E330-N332 PolarHBondContact OE1-ND2 3.4Å; N332-F344 HydrophobicContact CB-CB 4.24Å; N332-F344 PolarHBondContact N-O 3.04Å; N332-F344 PolarHBondContact O-N 2.71Å; N332-R384 PolarHBondContact ND2-O 2.9Å; N332-V387 HydrophobicContact CB-CB 4Å; N332-V387 HydrophobicContact CB-CG1 3.62Å; N332-F427 CarbonylContact C-O 3.56Å; N332-F427 WeakPolarHBondContact CA-O 3.33Å; N332-H428 PolarHBondContact OD1-CD2 2.85Å; N332-H428 PolarHBondContact OD1-NE2 2.55Å |
| 333 | Y | 92 | Very high | 86.8 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 144.4 | 179.7 | 167.7 | -101.5 | 0 | 0 | 0 | 111.4 | E311 F335 A341 I343 I424 L426 F427 | E311-Y333 PolarHBondContact OE1-OH 2.79Å; E311-Y333 PolarHBondContact OE2-OH 3.1Å; Y333-F335 WeakPolarHBondContact OH-CA 3.29Å; Y333-A341 HydrophobicContact CD2-CB 4.14Å; Y333-A341 HydrophobicContact CE2-CB 3.44Å; Y333-A341 VanDerWaalsContact CE2-CB 3.44Å; Y333-I343 HydrophobicContact CD2-CG2 3.69Å; Y333-I343 HydrophobicContact CG-CG2 4.09Å; Y333-I424 VanDerWaalsContact CE1-O 3.3Å; Y333-I424 WeakPolarHBondContact CE1-O 3.22Å; Y333-L426 WeakPolarHBondContact O-CA 3.37Å; Y333-F427 HydrophobicContact CD1-CB 4.49Å; Y333-F427 PolarHBondContact N-O 2.84Å; Y333-F427 PolarHBondContact O-N 2.91Å |
| 334 | R | 91 | Very high | 87.2 | Confident | 17 Ų | 17 | 43 Ų | 43 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 139.7 | 169.1 | -175.2 | 71.8 | 174.6 | 138.2 | -12.1 | 109.2 | A336 G388 G389 P391 E397 S425 L476 | R334-A336 PolarHBondContact O-N 3.47Å; R334-G388 WeakPolarHBondContact CD-O 3.3Å; R334-G388 WeakPolarHBondContact CG-O 3.42Å; R334-G389 WeakPolarHBondContact CD-O 3.15Å; R334-G389 WeakPolarHBondContact CG-O 3.41Å; R334-G389 PolarHBondContact NE-O 3.41Å; R334-P391 VanDerWaalsContact NH2-CD 3.3Å; R334-E397 IonicContact CZ-OE1 3.47Å; R334-E397 IonicContact CZ-OE2 3.59Å; R334-E397 IonicContact NH1-OE1 3.36Å; R334-E397 PolarHBondContact NH1-OE1 2.91Å; R334-E397 IonicContact NH1-OE2 2.72Å; R334-E397 PolarHBondContact NH1-OE2 3.28Å; R334-E397 IonicContact NH2-OE1 2.65Å; R334-E397 PolarHBondContact NH2-OE1 3Å; R334-E397 IonicContact NH2-OE2 3.52Å; R334-S425 WeakPolarHBondContact CA-O 3.41Å; R334-S425 WeakPolarHBondContact CD-O 3.07Å; R334-S425 PolarHBondContact NH1-O 3.45Å; R334-L476 PolarHBondContact NH2-O 3.01Å |
| 335 | F | 88.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 40 Ų | 40 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | trans | -58.1 | 126.3 | 174.6 | -175.1 | -91.9 | 0 | 0 | 0 | 111.6 | E311 Y333 A338 P391 L395 S425 | E311-F335 HydrophobicContact CG-CD2 4.12Å; E311-F335 HydrophobicContact CG-CE2 3.76Å; Y333-F335 WeakPolarHBondContact OH-CA 3.29Å; F335-A338 HydrophobicContact CZ-CB 4.39Å; F335-P391 WeakPolarHBondContact O-CA 3.14Å; F335-L395 HydrophobicContact CB-CD1 4.07Å; F335-L395 HydrophobicContact CD1-CD1 3.95Å; F335-L395 HydrophobicContact CD1-CD2 4.32Å; F335-L395 HydrophobicContact CE1-CD2 4.41Å; F335-L395 HydrophobicContact CG-CD1 4.2Å; F335-S425 PolarHBondContact N-O 3.32Å | ||
| 336 | A | 86.7 | Confident | 88.4 | Confident | 63 Ų | 63 | 36.7 Ų | 36.7 | 52% | 0.521 | 21% | 0.212 | S | C | . | . | trans | -138.3 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R334 S392 | R334-A336 PolarHBondContact O-N 3.47Å; A336-S392 WeakPolarHBondContact O-CB 3.43Å; A336-S392 PolarHBondContact O-OG 3.05Å | ||
| 337 | D | 84.3 | Confident | 88.7 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | trans | -131.1 | 141.2 | -179.8 | 177.7 | 79 | 0 | 0 | 0 | 110.3 | E311 K339 N340 | E311-D337 WeakPolarHBondContact CG-O 3.4Å; D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 WeakPolarHBondContact OD2-CA 3.34Å; D337-K339 WeakPolarHBondContact OD2-CB 3.49Å; D337-K339 PolarHBondContact OD2-N 3.18Å; D337-N340 PolarHBondContact OD2-N 3.34Å | ||
| 338 | A | 83.2 | Confident | 89 | Confident | 76 Ų | 76 | 37.4 Ų | 37.4 | 63% | 0.628 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -77.3 | -3.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F335 | F335-A338 HydrophobicContact CZ-CB 4.39Š|
| 339 | K | 87.5 | Confident | 89.1 | Confident | 163 Ų | 163 | 36.9 Ų | 36.9 | 71% | 0.709 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -114.4 | -37.9 | 178.9 | -62.9 | -179.5 | 178.7 | 178 | 0 | 112.2 | E311 D337 | E311-K339 VanDerWaalsContact CB-C 3.49Å; E311-K339 PolarHBondContact N-O 2.97Å; D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 WeakPolarHBondContact OD2-CA 3.34Å; D337-K339 WeakPolarHBondContact OD2-CB 3.49Å; D337-K339 PolarHBondContact OD2-N 3.18Å |
| 340 | N | 89.4 | Confident | 89.2 | Confident | 89 Ų | 89 | 41 Ų | 41 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118 | -171.5 | -64.5 | -56.5 | 0 | 0 | 0 | 111.6 | T308 D337 | T308-N340 HydrophobicContact CG2-CB 3.69Å; D337-N340 PolarHBondContact OD2-N 3.34Å |
| 341 | A | 89.7 | Confident | 89 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T308 I309 E311 Y333 | T308-A341 CarbonylContact C-O 3.55Å; T308-A341 WeakPolarHBondContact CA-O 3.4Å; I309-A341 HydrophobicContact CD1-CB 4.26Å; I309-A341 HydrophobicContact CG1-CB 3.57Å; I309-A341 PolarHBondContact N-O 3.07Å; I309-A341 PolarHBondContact O-N 3.21Å; E311-A341 WeakPolarHBondContact OE2-CA 3.29Å; E311-A341 VanDerWaalsContact OE2-CB 3.29Å; E311-A341 WeakPolarHBondContact OE2-CB 3.47Å; Y333-A341 HydrophobicContact CD2-CB 4.14Å; Y333-A341 HydrophobicContact CE2-CB 3.44Å; Y333-A341 VanDerWaalsContact CE2-CB 3.44Å |
| 342 | C | 91.7 | Very high | 88.7 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 53% | 0.527 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.2 | 169.4 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 343 | I | 92.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.6 | -177.2 | 61.2 | 168 | 0 | 0 | 0 | 110.2 | A306 V307 I309 F319 F331 Y333 V345 | A306-I343 WeakPolarHBondContact CA-O 3.32Å; V307-I343 HydrophobicContact CB-CD1 4.09Å; V307-I343 HydrophobicContact CB-CG1 3.77Å; V307-I343 PolarHBondContact N-O 3.11Å; V307-I343 WeakPolarHBondContact O-CG1 3.42Å; V307-I343 PolarHBondContact O-N 3.33Å; I309-I343 HydrophobicContact CD1-CD1 4.28Å; I309-I343 HydrophobicContact CD1-CG2 4.05Å; I309-I343 HydrophobicContact CG1-CG2 4.39Å; I309-I343 HydrophobicContact CG2-CD1 3.96Å; I309-I343 HydrophobicContact CG2-CG1 4.42Å; F319-I343 HydrophobicContact CD1-CD1 3.74Å; F319-I343 HydrophobicContact CD2-CD1 4.17Å; F319-I343 HydrophobicContact CE1-CD1 3.58Å; F319-I343 HydrophobicContact CE2-CD1 4.02Å; F319-I343 HydrophobicContact CG-CD1 4.04Å; F319-I343 HydrophobicContact CZ-CD1 3.73Å; F331-I343 HydrophobicContact CE1-CB 4.5Å; F331-I343 HydrophobicContact CE1-CG2 4.27Å; F331-I343 HydrophobicContact CE2-CB 4.13Å; F331-I343 HydrophobicContact CE2-CD1 3.59Å; F331-I343 HydrophobicContact CE2-CG1 4.4Å; F331-I343 HydrophobicContact CE2-CG2 4.38Å; F331-I343 HydrophobicContact CZ-CB 3.86Å; F331-I343 HydrophobicContact CZ-CD1 3.93Å; F331-I343 HydrophobicContact CZ-CG1 4.5Å; F331-I343 HydrophobicContact CZ-CG2 3.67Å; Y333-I343 HydrophobicContact CD2-CG2 3.69Å; Y333-I343 HydrophobicContact CG-CG2 4.09Å; I343-V345 HydrophobicContact CB-CG2 4.27Å; I343-V345 HydrophobicContact CD1-CG2 3.65Å; I343-V345 HydrophobicContact CG1-CG2 3.88Å |
| 344 | F | 93.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.5 | 172.3 | -175.7 | -83.1 | 0 | 0 | 0 | 108.9 | L304 L305 F331 N332 L373 A379 V383 R384 V387 | L304-F344 HydrophobicContact CB-CZ 4.21Å; L304-F344 HydrophobicContact CD1-CZ 4.21Å; L304-F344 HydrophobicContact CD2-CE1 3.99Å; L304-F344 HydrophobicContact CD2-CZ 4.08Å; L304-F344 HydrophobicContact CG-CZ 4.41Å; L305-F344 WeakPolarHBondContact O-CA 3.47Å; F331-F344 CarbonylContact C-O 3.37Å; F331-F344 WeakPolarHBondContact CA-O 3.48Å; N332-F344 HydrophobicContact CB-CB 4.24Å; N332-F344 PolarHBondContact N-O 3.04Å; N332-F344 PolarHBondContact O-N 2.71Å; F344-L373 HydrophobicContact CD2-CD1 4.16Å; F344-L373 HydrophobicContact CE2-CD1 3.92Å; F344-A379 HydrophobicContact CE2-CB 4.31Å; F344-V383 HydrophobicContact CD2-CG1 4.34Å; F344-V383 HydrophobicContact CE2-CG1 4.43Å; F344-R384 HydrophobicContact CE1-CB 3.77Å; F344-R384 HydrophobicContact CZ-CB 3.83Å; F344-V387 HydrophobicContact CB-CG1 4.32Å; F344-V387 HydrophobicContact CB-CG2 4.11Å; F344-V387 HydrophobicContact CD2-CG2 4.39Å; F344-V387 HydrophobicContact CG-CG2 4.31Å |
| 345 | V | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.7 | -169.6 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | L305 F319 V328 E330 F331 I343 V347 | L305-V345 PolarHBondContact N-O 2.91Å; L305-V345 PolarHBondContact O-N 3.23Å; F319-V345 HydrophobicContact CE1-CG1 4.27Å; F319-V345 HydrophobicContact CE1-CG2 3.89Å; F319-V345 HydrophobicContact CZ-CG1 4.38Å; F319-V345 HydrophobicContact CZ-CG2 3.93Å; V328-V345 HydrophobicContact CG1-CG1 4.14Å; E330-V345 CarbonylContact O-C 3.49Å; E330-V345 WeakPolarHBondContact O-CA 3.45Å; F331-V345 HydrophobicContact CD2-CG1 4.39Å; F331-V345 HydrophobicContact CD2-CG2 3.7Å; F331-V345 HydrophobicContact CE2-CG2 3.85Å; I343-V345 HydrophobicContact CB-CG2 4.27Å; I343-V345 HydrophobicContact CD1-CG2 3.65Å; I343-V345 HydrophobicContact CG1-CG2 3.88Å; V345-V347 HydrophobicContact CG1-CG2 3.9Å |
| 346 | G | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A303 V328 T329 E330 | A303-G346 CarbonylContact O-C 3.56Å; A303-G346 WeakPolarHBondContact O-CA 3.46Å; V328-G346 CarbonylContact C-O 3.52Å; V328-G346 WeakPolarHBondContact CA-O 3.48Å; T329-G346 PolarHBondContact N-O 3.39Å; T329-G346 WeakPolarHBondContact OG1-CA 3.27Å; T329-G346 PolarHBondContact OG1-O 2.87Å; T329-G346 VanDerWaalsContact OG1-O 3.1Å; E330-G346 PolarHBondContact N-O 3.16Å; E330-G346 PolarHBondContact O-N 3.24Å |
| 347 | V | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | E302 A303 L323 R326 V345 I359 | E302-V347 CarbonylContact C-O 3.57Å; E302-V347 WeakPolarHBondContact CA-O 3.49Å; A303-V347 PolarHBondContact N-O 2.73Å; A303-V347 PolarHBondContact O-N 2.85Å; L323-V347 HydrophobicContact CD1-CG2 4.34Å; L323-V347 HydrophobicContact CD2-CG2 4.47Å; R326-V347 HydrophobicContact CB-CG1 3.94Å; V345-V347 HydrophobicContact CG1-CG2 3.9Å; V347-I359 HydrophobicContact CB-CD1 4.48Å; V347-I359 HydrophobicContact CG1-CD1 3.96Å |
| 348 | R | 87.5 | Confident | 88.8 | Confident | 133 Ų | 133 | 59.6 Ų | 59.6 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.8 | 174.7 | -170 | 172.6 | -72.2 | 171.1 | -1.6 | 110.4 | R301 S327 T329 | R301-R348 CarbonylContact O-C 3.57Å; R301-R348 WeakPolarHBondContact O-CA 3.36Å; S327-R348 PolarHBondContact O-N 2.81Å; T329-R348 HydrophobicContact CG2-CB 3.79Å |
| 349 | L | 88.5 | Confident | 89.2 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -109.7 | 137 | 178.2 | -54.6 | 174.7 | 0 | 0 | 0 | 110.1 | Q300 R301 A303 E355 R356 I359 | Q300-L349 WeakPolarHBondContact O-CB 3.41Å; Q300-L349 WeakPolarHBondContact O-CD1 3.41Å; R301-L349 PolarHBondContact O-N 2.89Å; A303-L349 HydrophobicContact CB-CD1 3.98Å; A303-L349 HydrophobicContact CB-CD2 4.1Å; A303-L349 HydrophobicContact CB-CG 4.23Å; L349-E355 HydrophobicContact CD2-CB 4.34Å; L349-E355 HydrophobicContact CD2-CG 3.92Å; L349-R356 HydrophobicContact CD1-CB 3.87Å; L349-R356 HydrophobicContact CD1-CG 4.46Å; L349-R356 HydrophobicContact CD2-CB 4.39Å; L349-I359 HydrophobicContact CD2-CD1 3.45Å; L349-I359 VanDerWaalsContact CD2-CD1 3.45Å | ||
| 350 | S | 84.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 70% | 0.699 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -105.8 | -31.6 | 175.2 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | E355 | S350-E355 WeakPolarHBondContact CA-OE2 3.39Å; S350-E355 PolarHBondContact N-OE2 3.27Å; S350-E355 PolarHBondContact OG-OE2 3.38Å |
| 351 | R | 83.4 | Confident | 89.6 | Confident | 116 Ų | 116 | 50.6 Ų | 50.6 | 44% | 0.438 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -109.9 | 20.1 | 179.1 | -58.5 | -178.2 | -70.8 | 130.2 | -2.3 | 113.7 | E355 E358 | R351-E355 HydrophobicContact CB-CB 4.02Å; R351-E355 PolarHBondContact N-OE2 3.39Å; R351-E358 IonicContact CZ-OE1 2.67Å; R351-E358 IonicContact CZ-OE2 3.58Å; R351-E358 IonicContact NH1-OE1 3.07Å; R351-E358 PolarHBondContact NH1-OE1 3.29Å; R351-E358 IonicContact NH1-OE2 2.79Å; R351-E358 IonicContact NH2-OE1 2.71Å; R351-E358 PolarHBondContact NH2-OE1 2.98Å; R351-E358 IonicContact NH2-OE2 3.21Å; R351-E358 PolarHBondContact NH2-OE2 3.29Å |
| 352 | G | 83.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -135.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q300 E354 E355 R356 | Q300-G352 WeakPolarHBondContact O-CA 3.41Å; G352-E354 VanDerWaalsContact C-N 3.29Å; G352-E354 PolarHBondContact O-N 2.85Å; G352-E355 PolarHBondContact O-N 3.04Å; G352-R356 PolarHBondContact O-N 2.9Å |
| 353 | L | 84.3 | Confident | 89.8 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.8 | -34.5 | -176.9 | -86.4 | 161.5 | 0 | 0 | 0 | 115.1 | Q300 R356 K357 | Q300-L353 VanDerWaalsContact CD-CG 3.43Å; Q300-L353 VanDerWaalsContact NE2-CG 3.34Å; Q300-L353 VanDerWaalsContact OE1-CD1 3.25Å; L353-R356 PolarHBondContact O-N 3.06Å; L353-K357 WeakPolarHBondContact O-CG 3.36Å; L353-K357 PolarHBondContact O-N 2.91Å |
| 354 | E | 88.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 53.4 Ų | 53.4 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.8 | -48.4 | -179.4 | -68.5 | -176.2 | 172.2 | 0 | 0 | 110.5 | G352 R356 K357 E358 | G352-E354 VanDerWaalsContact C-N 3.29Å; G352-E354 PolarHBondContact O-N 2.85Å; E354-R356 VanDerWaalsContact C-N 3.35Å; E354-R356 PolarHBondContact O-N 3.23Å; E354-K357 PolarHBondContact O-N 2.81Å; E354-E358 WeakPolarHBondContact O-CG 3.49Å; E354-E358 PolarHBondContact O-N 3.38Å |
| 355 | E | 90.2 | Very high | 89.6 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.4 | 178.9 | 169.7 | -157.7 | 0 | 0 | 112.1 | R326 L349 S350 R351 G352 K357 E358 I359 | R326-E355 IonicContact NE-OE1 3.23Å; L349-E355 HydrophobicContact CD2-CB 4.34Å; L349-E355 HydrophobicContact CD2-CG 3.92Å; S350-E355 WeakPolarHBondContact CA-OE2 3.39Å; S350-E355 PolarHBondContact N-OE2 3.27Å; S350-E355 PolarHBondContact OG-OE2 3.38Å; R351-E355 HydrophobicContact CB-CB 4.02Å; R351-E355 PolarHBondContact N-OE2 3.39Å; G352-E355 PolarHBondContact O-N 3.04Å; E355-K357 VanDerWaalsContact C-N 3.34Å; E355-K357 PolarHBondContact O-N 3.5Å; E355-E358 PolarHBondContact O-N 2.84Å; E355-I359 HydrophobicContact CG-CD1 4Å; E355-I359 HydrophobicContact CG-CG1 4.48Å; E355-I359 VanDerWaalsContact O-CG1 3.28Å; E355-I359 WeakPolarHBondContact O-CG1 3.41Å; E355-I359 PolarHBondContact O-N 3.05Å |
| 356 | R | 90.1 | Very high | 89.5 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 6% | 0.06 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 172.9 | -177.7 | 171.5 | 164.2 | -163.8 | -7.7 | 111.4 | A303 L349 G352 L353 E354 I359 L360 D372 S374 D375 | A303-R356 HydrophobicContact CB-CG 4.18Å; L349-R356 HydrophobicContact CD1-CB 3.87Å; L349-R356 HydrophobicContact CD1-CG 4.46Å; L349-R356 HydrophobicContact CD2-CB 4.39Å; G352-R356 PolarHBondContact O-N 2.9Å; L353-R356 PolarHBondContact O-N 3.06Å; E354-R356 VanDerWaalsContact C-N 3.35Å; E354-R356 PolarHBondContact O-N 3.23Å; R356-I359 PolarHBondContact O-N 3.45Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 2.9Å; R356-D372 IonicContact CZ-OD1 3.39Å; R356-D372 IonicContact CZ-OD2 3.88Å; R356-D372 VanDerWaalsContact NE-CG 3.35Å; R356-D372 IonicContact NE-OD1 3.98Å; R356-D372 PolarHBondContact NE-OD1 3.2Å; R356-D372 IonicContact NE-OD2 3.36Å; R356-D372 PolarHBondContact NE-OD2 2.85Å; R356-D372 IonicContact NH2-OD1 3.59Å; R356-D372 PolarHBondContact NH2-OD1 3.06Å; R356-D372 IonicContact NH2-OD2 2.71Å; R356-D372 PolarHBondContact NH2-OD2 2.79Å; R356-S374 PolarHBondContact NE-OG 3.14Å; R356-D375 IonicContact CZ-OD2 2.87Å; R356-D375 IonicContact NH1-OD1 3.34Å; R356-D375 IonicContact NH1-OD2 3.42Å; R356-D375 PolarHBondContact NH1-OD2 2.83Å; R356-D375 IonicContact NH2-OD2 2.81Å; R356-D375 PolarHBondContact NH2-OD2 3.4Å |
| 357 | K | 91.8 | Very high | 89.4 | Confident | 143 Ų | 143 | 64 Ų | 64 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.7 | -73.2 | 176.2 | -178.5 | 179.6 | 0 | 112.4 | L353 E354 E355 I359 L360 Q361 | L353-K357 WeakPolarHBondContact O-CG 3.36Å; L353-K357 PolarHBondContact O-N 2.91Å; E354-K357 PolarHBondContact O-N 2.81Å; E355-K357 VanDerWaalsContact C-N 3.34Å; E355-K357 PolarHBondContact O-N 3.5Å; K357-I359 VanDerWaalsContact C-N 3.35Å; K357-L360 PolarHBondContact O-N 2.83Å; K357-Q361 WeakPolarHBondContact O-CB 3.37Å; K357-Q361 PolarHBondContact O-N 2.95Å |
| 358 | E | 92.2 | Very high | 89.5 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176 | -70.8 | 172.7 | -156.2 | 0 | 0 | 112.5 | R351 E354 E355 Q361 M362 | R351-E358 IonicContact CZ-OE1 2.67Å; R351-E358 IonicContact CZ-OE2 3.58Å; R351-E358 IonicContact NH1-OE1 3.07Å; R351-E358 PolarHBondContact NH1-OE1 3.29Å; R351-E358 IonicContact NH1-OE2 2.79Å; R351-E358 IonicContact NH2-OE1 2.71Å; R351-E358 PolarHBondContact NH2-OE1 2.98Å; R351-E358 IonicContact NH2-OE2 3.21Å; R351-E358 PolarHBondContact NH2-OE2 3.29Å; E354-E358 WeakPolarHBondContact O-CG 3.49Å; E354-E358 PolarHBondContact O-N 3.38Å; E355-E358 PolarHBondContact O-N 2.84Å; E358-Q361 PolarHBondContact O-N 2.83Å; E358-M362 WeakPolarHBondContact O-CB 3.27Å; E358-M362 PolarHBondContact O-N 2.94Å |
| 359 | I | 91.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.1 | -68.4 | 160.3 | 0 | 0 | 0 | 110.2 | L305 L323 V347 L349 E355 R356 K357 Q361 M362 L363 | L305-I359 HydrophobicContact CD1-CG2 3.75Å; L323-I359 HydrophobicContact CD2-CG2 4.25Å; V347-I359 HydrophobicContact CB-CD1 4.48Å; V347-I359 HydrophobicContact CG1-CD1 3.96Å; L349-I359 HydrophobicContact CD2-CD1 3.45Å; L349-I359 VanDerWaalsContact CD2-CD1 3.45Å; E355-I359 HydrophobicContact CG-CD1 4Å; E355-I359 HydrophobicContact CG-CG1 4.48Å; E355-I359 VanDerWaalsContact O-CG1 3.28Å; E355-I359 WeakPolarHBondContact O-CG1 3.41Å; E355-I359 PolarHBondContact O-N 3.05Å; R356-I359 PolarHBondContact O-N 3.45Å; K357-I359 VanDerWaalsContact C-N 3.35Å; I359-Q361 VanDerWaalsContact C-N 3.34Å; I359-Q361 PolarHBondContact O-N 2.81Å; I359-M362 PolarHBondContact O-N 2.83Å; I359-L363 HydrophobicContact CG2-CD1 3.96Å; I359-L363 HydrophobicContact CG2-CG 4.35Å; I359-L363 WeakPolarHBondContact O-CG 3.49Å; I359-L363 PolarHBondContact O-N 2.82Å |
| 360 | L | 92.7 | Very high | 90 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.1 | -69.6 | 173.5 | 0 | 0 | 0 | 111.9 | L305 R356 K357 L363 N364 V370 D372 | L305-L360 HydrophobicContact CD2-CD2 3.62Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 2.9Å; K357-L360 PolarHBondContact O-N 2.83Å; L360-L363 PolarHBondContact O-N 3.11Å; L360-N364 WeakPolarHBondContact O-CB 3.5Å; L360-N364 PolarHBondContact O-N 2.9Å; L360-N364 PolarHBondContact O-ND2 3.19Å; L360-V370 HydrophobicContact CD2-CG1 4.15Å; L360-V370 HydrophobicContact CD2-CG2 3.6Å; L360-D372 HydrophobicContact CD1-CB 4.08Å; L360-D372 WeakPolarHBondContact CD1-OD2 3.44Å; L360-D372 HydrophobicContact CD2-CB 4.01Å |
| 361 | Q | 92.6 | Very high | 90.4 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 178.3 | -172.1 | 61.7 | 45.9 | 0 | 0 | 111 | K357 E358 I359 L363 N364 D365 | K357-Q361 WeakPolarHBondContact O-CB 3.37Å; K357-Q361 PolarHBondContact O-N 2.95Å; E358-Q361 PolarHBondContact O-N 2.83Å; I359-Q361 VanDerWaalsContact C-N 3.34Å; I359-Q361 PolarHBondContact O-N 2.81Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 3.49Å; Q361-N364 PolarHBondContact O-N 2.76Å; Q361-D365 PolarHBondContact NE2-OD1 3.38Å; Q361-D365 PolarHBondContact NE2-OD2 3.44Å; Q361-D365 WeakPolarHBondContact O-CB 2.94Å; Q361-D365 PolarHBondContact O-N 3.34Å |
| 362 | M | 92.9 | Very high | 90.8 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.7 | 177.1 | -170.5 | -69.7 | 0 | 0 | 112.7 | L322 R326 E358 I359 G366 | L322-M362 HydrophobicContact CD1-CG 3.99Å; L322-M362 HydrophobicContact CG-CG 4.07Å; L322-M362 HydrophobicContact CG-SD 4.38Å; R326-M362 VanDerWaalsContact NH1-CE 3.28Å; R326-M362 PolarHBondContact NH1-SD 3.41Å; E358-M362 WeakPolarHBondContact O-CB 3.27Å; E358-M362 PolarHBondContact O-N 2.94Å; I359-M362 PolarHBondContact O-N 2.83Å; M362-G366 PolarHBondContact O-N 2.97Å |
| 363 | L | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68 | -42.4 | 177.9 | -70.7 | 177.7 | 0 | 0 | 0 | 111.8 | L305 V307 F319 L322 L323 I359 L360 Q361 G366 G367 Y368 V370 | L305-L363 HydrophobicContact CD1-CD1 3.83Å; V307-L363 HydrophobicContact CG2-CD1 4.05Å; F319-L363 HydrophobicContact CD2-CD2 4.07Å; F319-L363 HydrophobicContact CE2-CD1 4.36Å; F319-L363 HydrophobicContact CE2-CD2 3.53Å; F319-L363 HydrophobicContact CZ-CD2 4.42Å; L322-L363 HydrophobicContact CD2-CD2 3.98Å; L323-L363 HydrophobicContact CD2-CD2 4.2Å; I359-L363 HydrophobicContact CG2-CD1 3.96Å; I359-L363 HydrophobicContact CG2-CG 4.35Å; I359-L363 WeakPolarHBondContact O-CG 3.49Å; I359-L363 PolarHBondContact O-N 2.82Å; L360-L363 PolarHBondContact O-N 3.11Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 3.49Å; L363-G366 PolarHBondContact O-N 3.28Å; L363-G367 PolarHBondContact O-N 3.29Å; L363-Y368 HydrophobicContact CD2-CD2 4.2Å; L363-Y368 WeakPolarHBondContact O-CB 3.31Å; L363-Y368 PolarHBondContact O-N 3.47Å; L363-V370 HydrophobicContact CB-CB 4.32Å; L363-V370 HydrophobicContact CB-CG1 4.06Å; L363-V370 HydrophobicContact CD1-CB 4.41Å; L363-V370 HydrophobicContact CD1-CG2 4.03Å |
| 364 | N | 92 | Very high | 91.3 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175 | -77.6 | -58.9 | 0 | 0 | 0 | 112 | L360 Q361 G366 G367 V370 | L360-N364 WeakPolarHBondContact O-CB 3.5Å; L360-N364 PolarHBondContact O-N 2.9Å; L360-N364 PolarHBondContact O-ND2 3.19Å; Q361-N364 PolarHBondContact O-N 2.76Å; N364-G366 PolarHBondContact O-N 2.93Å; N364-G367 WeakPolarHBondContact O-CA 3.4Å; N364-G367 PolarHBondContact O-N 2.97Å; N364-V370 WeakPolarHBondContact ND2-CG1 3.37Å |
| 365 | D | 91.2 | Very high | 91.1 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.5 | -29.8 | 177 | -68.3 | -16.5 | 0 | 0 | 0 | 111.9 | Q361 G367 | Q361-D365 PolarHBondContact NE2-OD1 3.38Å; Q361-D365 PolarHBondContact NE2-OD2 3.44Å; Q361-D365 WeakPolarHBondContact O-CB 2.94Å; Q361-D365 PolarHBondContact O-N 3.34Å; D365-G367 PolarHBondContact O-N 2.94Å |
| 366 | G | 88.6 | Confident | 90.9 | Very high | 41 Ų | 41 | 58 Ų | 58 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -3.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M362 L363 N364 | M362-G366 PolarHBondContact O-N 2.97Å; L363-G366 PolarHBondContact O-N 3.28Å; N364-G366 PolarHBondContact O-N 2.93Å |
| 367 | G | 89.4 | Confident | 90.5 | Very high | 68 Ų | 68 | 61 Ų | 61 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L363 N364 D365 | L363-G367 PolarHBondContact O-N 3.29Å; N364-G367 WeakPolarHBondContact O-CA 3.4Å; N364-G367 PolarHBondContact O-N 2.97Å; D365-G367 PolarHBondContact O-N 2.94Å |
| 368 | Y | 91.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | trans | -88.8 | 137 | 177.5 | -60.7 | -65.5 | 0 | 0 | 0 | 111.4 | V307 I309 F319 L322 L363 V370 | V307-Y368 HydrophobicContact CG1-CG 4.23Å; I309-Y368 HydrophobicContact CB-CD1 4.25Å; I309-Y368 HydrophobicContact CB-CE1 3.99Å; I309-Y368 HydrophobicContact CG2-CD1 3.72Å; I309-Y368 HydrophobicContact CG2-CE1 3.65Å; F319-Y368 HydrophobicContact CD2-CD2 4.47Å; F319-Y368 HydrophobicContact CD2-CE2 4.3Å; L322-Y368 HydrophobicContact CD2-CD2 3.75Å; L322-Y368 HydrophobicContact CD2-CE2 3.48Å; L322-Y368 VanDerWaalsContact CD2-CE2 3.48Å; L363-Y368 HydrophobicContact CD2-CD2 4.2Å; L363-Y368 WeakPolarHBondContact O-CB 3.31Å; L363-Y368 PolarHBondContact O-N 3.47Å; Y368-V370 PolarHBondContact O-N 3.3Å | ||
| 369 | S | 92 | Very high | 90.1 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 54% | 0.538 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 109.6 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | V307 T308 | V307-S369 WeakPolarHBondContact CA-O 3.37Å; T308-S369 PolarHBondContact N-O 2.97Å |
| 370 | V | 93.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | -178.9 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | L305 A306 V307 L360 L363 N364 Y368 | L305-V370 HydrophobicContact CB-CG2 4.3Å; L305-V370 HydrophobicContact CD2-CG2 4.26Å; A306-V370 CarbonylContact O-C 3.52Å; A306-V370 WeakPolarHBondContact O-CA 3.31Å; V307-V370 HydrophobicContact CG2-CB 4.37Å; V307-V370 HydrophobicContact CG2-CG2 4Å; L360-V370 HydrophobicContact CD2-CG1 4.15Å; L360-V370 HydrophobicContact CD2-CG2 3.6Å; L363-V370 HydrophobicContact CB-CB 4.32Å; L363-V370 HydrophobicContact CB-CG1 4.06Å; L363-V370 HydrophobicContact CD1-CB 4.41Å; L363-V370 HydrophobicContact CD1-CG2 4.03Å; N364-V370 WeakPolarHBondContact ND2-CG1 3.37Å; Y368-V370 PolarHBondContact O-N 3.3Å |
| 371 | V | 93.5 | Very high | 89 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.9 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | A306 L373 | A306-V371 HydrophobicContact CB-CB 4.43Å; A306-V371 PolarHBondContact N-O 2.84Å; A306-V371 PolarHBondContact O-N 2.81Å; V371-L373 HydrophobicContact CG1-CD2 3.89Å; V371-L373 HydrophobicContact CG1-CG 4.46Å |
| 372 | D | 93 | Very high | 88.6 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.6 | 177.3 | -170 | -10.4 | 0 | 0 | 0 | 110.7 | L305 R356 L360 S374 | L305-D372 HydrophobicContact CD2-CB 4.32Å; R356-D372 IonicContact CZ-OD1 3.39Å; R356-D372 IonicContact CZ-OD2 3.88Å; R356-D372 VanDerWaalsContact NE-CG 3.35Å; R356-D372 IonicContact NE-OD1 3.98Å; R356-D372 PolarHBondContact NE-OD1 3.2Å; R356-D372 IonicContact NE-OD2 3.36Å; R356-D372 PolarHBondContact NE-OD2 2.85Å; R356-D372 IonicContact NH2-OD1 3.59Å; R356-D372 PolarHBondContact NH2-OD1 3.06Å; R356-D372 IonicContact NH2-OD2 2.71Å; R356-D372 PolarHBondContact NH2-OD2 2.79Å; L360-D372 HydrophobicContact CD1-CB 4.08Å; L360-D372 WeakPolarHBondContact CD1-OD2 3.44Å; L360-D372 HydrophobicContact CD2-CB 4.01Å; D372-S374 WeakPolarHBondContact OD1-CB 3.28Å; D372-S374 PolarHBondContact OD1-N 2.87Å; D372-S374 PolarHBondContact OD1-OG 2.84Å |
| 373 | L | 91.5 | Very high | 88.4 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | trans | -108 | 8 | -177 | -60.4 | 179.4 | 0 | 0 | 0 | 112.2 | L304 A306 F344 V371 D375 D376 A379 | L304-L373 HydrophobicContact CB-CB 4.39Å; L304-L373 CarbonylContact O-C 3.6Å; L304-L373 WeakPolarHBondContact O-CA 3.48Å; L304-L373 PolarHBondContact O-N 2.77Å; A306-L373 HydrophobicContact CB-CD1 3.65Å; A306-L373 HydrophobicContact CB-CG 4.29Å; F344-L373 HydrophobicContact CD2-CD1 4.16Å; F344-L373 HydrophobicContact CE2-CD1 3.92Å; V371-L373 HydrophobicContact CG1-CD2 3.89Å; V371-L373 HydrophobicContact CG1-CG 4.46Å; L373-D375 PolarHBondContact O-N 3.29Å; L373-D375 VanDerWaalsContact O-N 3.12Å; L373-D376 HydrophobicContact CB-CB 4.42Å; L373-D376 HydrophobicContact CD2-CB 4.37Å; L373-D376 PolarHBondContact O-N 3.02Å; L373-A379 HydrophobicContact CB-CB 3.76Å; L373-A379 HydrophobicContact CD1-CB 4.09Å; L373-A379 HydrophobicContact CG-CB 4.37Å | ||
| 374 | S | 86.3 | Confident | 88.1 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.028 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.9 | -173.1 | -33.9 | 0 | 0 | 0 | 0 | 113.6 | A303 L304 R356 D372 K380 | A303-S374 WeakPolarHBondContact CA-OG 3.4Å; L304-S374 PolarHBondContact N-OG 3.3Å; L304-S374 PolarHBondContact O-N 3.26Å; L304-S374 PolarHBondContact O-OG 2.96Å; R356-S374 PolarHBondContact NE-OG 3.14Å; D372-S374 WeakPolarHBondContact OD1-CB 3.28Å; D372-S374 PolarHBondContact OD1-N 2.87Å; D372-S374 PolarHBondContact OD1-OG 2.84Å; S374-K380 WeakPolarHBondContact O-CE 3.37Å; S374-K380 PolarHBondContact O-NZ 3.01Å |
| 375 | D | 83.5 | Confident | 87.8 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 7.6 | 174.6 | -58.6 | -53.5 | 0 | 0 | 0 | 112.7 | R356 L373 | R356-D375 IonicContact CZ-OD2 2.87Å; R356-D375 IonicContact NH1-OD1 3.34Å; R356-D375 IonicContact NH1-OD2 3.42Å; R356-D375 PolarHBondContact NH1-OD2 2.83Å; R356-D375 IonicContact NH2-OD2 2.81Å; R356-D375 PolarHBondContact NH2-OD2 3.4Å; L373-D375 PolarHBondContact O-N 3.29Å; L373-D375 VanDerWaalsContact O-N 3.12Å |
| 376 | D | 86.2 | Confident | 87.6 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | trans | -94.3 | 115.1 | -179 | -172.2 | -73.2 | 0 | 0 | 0 | 111.6 | L373 M378 A379 K380 | L373-D376 HydrophobicContact CB-CB 4.42Å; L373-D376 HydrophobicContact CD2-CB 4.37Å; L373-D376 PolarHBondContact O-N 3.02Å; D376-M378 VanDerWaalsContact C-N 3.35Å; D376-M378 PolarHBondContact O-N 3.36Å; D376-M378 WeakPolarHBondContact OD1-CA 3.48Å; D376-M378 VanDerWaalsContact OD1-CB 3.26Å; D376-M378 WeakPolarHBondContact OD1-CB 3.44Å; D376-M378 PolarHBondContact OD1-N 3.44Å; D376-A379 HydrophobicContact CB-CB 3.9Å; D376-A379 WeakPolarHBondContact O-CB 3.2Å; D376-A379 PolarHBondContact O-N 2.82Å; D376-A379 PolarHBondContact OD1-N 3.39Å; D376-K380 WeakPolarHBondContact O-CD 3.42Å; D376-K380 VanDerWaalsContact O-CG 3.29Å; D376-K380 WeakPolarHBondContact O-CG 3.39Å; D376-K380 PolarHBondContact O-N 3.38Å; D376-K380 VanDerWaalsContact O-N 3.11Å | ||
| 377 | E | 82.1 | Confident | 87.3 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.7 | -31.1 | -178.4 | -70.4 | -60.7 | 108.3 | 0 | 0 | 112.9 | R294 A379 K380 L381 | R294-E377 IonicContact NH2-OE2 2.9Å; E377-A379 VanDerWaalsContact C-N 3.31Å; E377-K380 PolarHBondContact O-N 3.25Å; E377-K380 VanDerWaalsContact OE1-CD 3.26Å; E377-K380 WeakPolarHBondContact OE1-CD 3.36Å; E377-K380 IonicContact OE1-NZ 2.66Å; E377-K380 PolarHBondContact OE1-NZ 3.04Å; E377-L381 HydrophobicContact CB-CD1 4.49Å; E377-L381 VanDerWaalsContact O-CB 3.27Å; E377-L381 WeakPolarHBondContact O-CB 3.37Å; E377-L381 WeakPolarHBondContact O-CG 3.37Å; E377-L381 PolarHBondContact O-N 2.9Å |
| 378 | M | 87 | Confident | 86.7 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 175.3 | -174 | -154.9 | -102 | 0 | 0 | 109.7 | D376 H382 V383 | D376-M378 VanDerWaalsContact C-N 3.35Å; D376-M378 PolarHBondContact O-N 3.36Å; D376-M378 WeakPolarHBondContact OD1-CA 3.48Å; D376-M378 VanDerWaalsContact OD1-CB 3.26Å; D376-M378 WeakPolarHBondContact OD1-CB 3.44Å; D376-M378 PolarHBondContact OD1-N 3.44Å; M378-H382 WeakPolarHBondContact O-CA 3.45Å; M378-H382 WeakPolarHBondContact O-CB 3.34Å; M378-H382 PolarHBondContact O-N 2.92Å; M378-V383 HydrophobicContact CG-CG2 4.08Å; M378-V383 PolarHBondContact O-N 2.91Å; M378-V383 HydrophobicContact SD-CG2 4.1Å |
| 379 | A | 87.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -61.9 | -48.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | F344 L373 D376 E377 R384 | F344-A379 HydrophobicContact CE2-CB 4.31Å; L373-A379 HydrophobicContact CB-CB 3.76Å; L373-A379 HydrophobicContact CD1-CB 4.09Å; L373-A379 HydrophobicContact CG-CB 4.37Å; D376-A379 HydrophobicContact CB-CB 3.9Å; D376-A379 WeakPolarHBondContact O-CB 3.2Å; D376-A379 PolarHBondContact O-N 2.82Å; D376-A379 PolarHBondContact OD1-N 3.39Å; E377-A379 VanDerWaalsContact C-N 3.31Å; A379-R384 PolarHBondContact O-N 2.91Å |
| 380 | K | 81.8 | Confident | 85.9 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -67.2 | -42.6 | -178.9 | -68.1 | 163.9 | 176.4 | 178.1 | 0 | 113.8 | L297 L304 S374 D376 E377 R384 | L297-K380 HydrophobicContact CD1-CB 4.07Å; L297-K380 HydrophobicContact CD1-CD 3.79Å; L297-K380 HydrophobicContact CD1-CG 3.69Å; L297-K380 HydrophobicContact CD2-CG 4.22Å; L304-K380 HydrophobicContact CD1-CG 3.81Å; S374-K380 WeakPolarHBondContact O-CE 3.37Å; S374-K380 PolarHBondContact O-NZ 3.01Å; D376-K380 WeakPolarHBondContact O-CD 3.42Å; D376-K380 VanDerWaalsContact O-CG 3.29Å; D376-K380 WeakPolarHBondContact O-CG 3.39Å; D376-K380 PolarHBondContact O-N 3.38Å; D376-K380 VanDerWaalsContact O-N 3.11Å; E377-K380 PolarHBondContact O-N 3.25Å; E377-K380 VanDerWaalsContact OE1-CD 3.26Å; E377-K380 WeakPolarHBondContact OE1-CD 3.36Å; E377-K380 IonicContact OE1-NZ 2.66Å; E377-K380 PolarHBondContact OE1-NZ 3.04Å; K380-R384 WeakPolarHBondContact O-CD 3.47Å |
| 381 | L | 79.4 | Confident | 85.6 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 41% | 0.414 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -91.9 | -28.7 | -172.4 | -64.4 | 175 | 0 | 0 | 0 | 113.1 | E377 Y385 | E377-L381 HydrophobicContact CB-CD1 4.49Å; E377-L381 VanDerWaalsContact O-CB 3.27Å; E377-L381 WeakPolarHBondContact O-CB 3.37Å; E377-L381 WeakPolarHBondContact O-CG 3.37Å; E377-L381 PolarHBondContact O-N 2.9Å; L381-Y385 WeakPolarHBondContact O-CD2 3.47Å |
| 382 | H | 85.8 | Confident | 85 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -124.7 | -60.4 | -170.5 | -57.7 | -61.2 | 0 | 0 | 0 | 112.8 | M378 R384 Y385 M386 | M378-H382 WeakPolarHBondContact O-CA 3.45Å; M378-H382 WeakPolarHBondContact O-CB 3.34Å; M378-H382 PolarHBondContact O-N 2.92Å; H382-R384 VanDerWaalsContact C-N 3.34Å; H382-R384 PolarHBondContact O-N 2.84Å; H382-Y385 PolarHBondContact O-N 3.39Å; H382-M386 HydrophobicContact CB-SD 4.46Å; H382-M386 WeakPolarHBondContact O-CG 3.07Å; H382-M386 PolarHBondContact O-N 3.3Å |
| 383 | V | 88.6 | Confident | 84.5 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -59.8 | -43.4 | -168.9 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | F344 M378 Y385 M386 V387 | F344-V383 HydrophobicContact CD2-CG1 4.34Å; F344-V383 HydrophobicContact CE2-CG1 4.43Å; M378-V383 HydrophobicContact CG-CG2 4.08Å; M378-V383 PolarHBondContact O-N 2.91Å; M378-V383 HydrophobicContact SD-CG2 4.1Å; V383-Y385 PolarHBondContact O-N 2.89Å; V383-M386 CarbonylContact O-C 3.56Å; V383-M386 PolarHBondContact O-N 3.32Å; V383-V387 HydrophobicContact CB-CG2 4.5Å; V383-V387 HydrophobicContact CG1-CG2 3.37Å; V383-V387 WeakPolarHBondContact O-CG2 3.28Å; V383-V387 PolarHBondContact O-N 2.88Å |
| 384 | R | 86.1 | Confident | 84.1 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.9 | -27.4 | 178.6 | 78.5 | -175.3 | -57.9 | 178.8 | 11.8 | 114.4 | E302 E330 N332 F344 A379 K380 H382 | E302-R384 IonicContact OE2-NH2 3.2Å; E330-R384 IonicContact OE1-NE 3.73Å; E330-R384 IonicContact OE2-CZ 3.82Å; E330-R384 IonicContact OE2-NE 2.94Å; E330-R384 PolarHBondContact OE2-NE 2.96Å; E330-R384 IonicContact OE2-NH2 3.42Å; E330-R384 PolarHBondContact OE2-NH2 2.93Å; N332-R384 PolarHBondContact ND2-O 2.9Å; F344-R384 HydrophobicContact CE1-CB 3.77Å; F344-R384 HydrophobicContact CZ-CB 3.83Å; A379-R384 PolarHBondContact O-N 2.91Å; K380-R384 WeakPolarHBondContact O-CD 3.47Å; H382-R384 VanDerWaalsContact C-N 3.34Å; H382-R384 PolarHBondContact O-N 2.84Å |
| 385 | Y | 85.2 | Confident | 84.1 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -96.1 | -11.6 | 179.2 | -58.4 | -67.9 | 0 | 0 | 0 | 113.6 | E293 L381 H382 V383 | E293-Y385 PolarHBondContact OE1-OH 2.79Å; E293-Y385 PolarHBondContact OE2-OH 3.36Å; E293-Y385 VanDerWaalsContact OE2-OH 3.04Å; L381-Y385 WeakPolarHBondContact O-CD2 3.47Å; H382-Y385 PolarHBondContact O-N 3.39Å; V383-Y385 PolarHBondContact O-N 2.89Å |
| 386 | M | 86 | Confident | 84.3 | Confident | 146 Ų | 146 | 70.8 Ų | 70.8 | 72% | 0.719 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -117.4 | -7.5 | -173.5 | -65.9 | -178.5 | 65.4 | 0 | 0 | 113.2 | H382 V383 G388 | H382-M386 HydrophobicContact CB-SD 4.46Å; H382-M386 WeakPolarHBondContact O-CG 3.07Å; H382-M386 PolarHBondContact O-N 3.3Å; V383-M386 CarbonylContact O-C 3.56Å; V383-M386 PolarHBondContact O-N 3.32Å; M386-G388 PolarHBondContact O-N 3.33Å |
| 387 | V | 83.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 126.9 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 109.1 | N332 F344 V383 | N332-V387 HydrophobicContact CB-CB 4Å; N332-V387 HydrophobicContact CB-CG1 3.62Å; F344-V387 HydrophobicContact CB-CG1 4.32Å; F344-V387 HydrophobicContact CB-CG2 4.11Å; F344-V387 HydrophobicContact CD2-CG2 4.39Å; F344-V387 HydrophobicContact CG-CG2 4.31Å; V383-V387 HydrophobicContact CB-CG2 4.5Å; V383-V387 HydrophobicContact CG1-CG2 3.37Å; V383-V387 WeakPolarHBondContact O-CG2 3.28Å; V383-V387 PolarHBondContact O-N 2.88Å |
| 388 | G | 75.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 35.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | R334 M386 | R334-G388 WeakPolarHBondContact CD-O 3.3Å; R334-G388 WeakPolarHBondContact CG-O 3.42Å; M386-G388 PolarHBondContact O-N 3.33Å |
| 389 | G | 81.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | trans | -58 | -133.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R334 | R334-G389 WeakPolarHBondContact CD-O 3.15Å; R334-G389 WeakPolarHBondContact CG-O 3.41Å; R334-G389 PolarHBondContact NE-O 3.41Å | ||
| 390 | R | 86.6 | Confident | 85.3 | Confident | 152 Ų | 152 | 63.2 Ų | 63.2 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -75.6 | 144.3 | 178.8 | -64.8 | -170 | -176.6 | -163.4 | 0.3 | 110.9 | F474 F475 A477 | R390-F474 PolarHBondContact NH2-O 3.14Å; R390-F475 WeakPolarHBondContact CG-O 3.32Å; R390-A477 VanDerWaalsContact CD-O 3.3Å; R390-A477 WeakPolarHBondContact CD-O 3.46Å; R390-A477 PolarHBondContact NE-O 2.71Å |
| 391 | P | 86.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | trans | -68.3 | 157.5 | 176.1 | 31.5 | -28.8 | 0 | 0 | 0 | 109.2 | R334 F335 H393 L395 G478 | R334-P391 VanDerWaalsContact NH2-CD 3.3Å; F335-P391 WeakPolarHBondContact O-CA 3.14Å; P391-H393 WeakPolarHBondContact CG-O 3.43Å; P391-H393 PolarHBondContact O-N 3.48Å; P391-L395 HydrophobicContact CB-CD1 3.69Å; P391-L395 HydrophobicContact CB-CG 4.1Å; P391-L395 HydrophobicContact CG-CD1 3.98Å; P391-L395 HydrophobicContact CG-CG 4.08Å; P391-G478 VanDerWaalsContact CD-CA 3.49Å | ||
| 392 | S | 81.5 | Confident | 86.4 | Confident | 66 Ų | 66 | 60 Ų | 60 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68 | -19.4 | -178.3 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | A336 | A336-S392 WeakPolarHBondContact O-CB 3.43Å; A336-S392 PolarHBondContact O-OG 3.05Å |
| 393 | H | 81.8 | Confident | 86.4 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 57% | 0.569 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -137.4 | 151.5 | 179.1 | -58.8 | 80.9 | 0 | 0 | 0 | 109.4 | P391 L395 | P391-H393 WeakPolarHBondContact CG-O 3.43Å; P391-H393 PolarHBondContact O-N 3.48Å; H393-L395 PolarHBondContact O-N 3.23Å |
| 394 | P | 83.6 | Confident | 86.1 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | trans | -57.6 | 129.4 | 174.6 | -23.3 | 33.8 | 0 | 0 | 0 | 110.9 | ||||
| 395 | L | 85.9 | Confident | 85.7 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | trans | -117.5 | 141 | 178.8 | -61.8 | 179.1 | 0 | 0 | 0 | 109.5 | F335 P391 H393 E397 E444 | F335-L395 HydrophobicContact CB-CD1 4.07Å; F335-L395 HydrophobicContact CD1-CD1 3.95Å; F335-L395 HydrophobicContact CD1-CD2 4.32Å; F335-L395 HydrophobicContact CE1-CD2 4.41Å; F335-L395 HydrophobicContact CG-CD1 4.2Å; P391-L395 HydrophobicContact CB-CD1 3.69Å; P391-L395 HydrophobicContact CB-CG 4.1Å; P391-L395 HydrophobicContact CG-CD1 3.98Å; P391-L395 HydrophobicContact CG-CG 4.08Å; H393-L395 PolarHBondContact O-N 3.23Å; L395-E397 PolarHBondContact O-N 3.38Å; L395-E444 HydrophobicContact CB-CG 4.48Å | ||
| 396 | Q | 87.4 | Confident | 84.9 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | trans | -88.1 | 93.1 | 167.1 | -172.5 | 175 | 6.3 | 0 | 0 | 108.5 | E444 L445 D447 | Q396-E444 WeakPolarHBondContact O-CA 3.34Å; Q396-L445 WeakPolarHBondContact CG-O 3.33Å; Q396-L445 PolarHBondContact O-N 2.93Å; Q396-L445 VanDerWaalsContact O-N 3.14Å; Q396-D447 PolarHBondContact NE2-OD1 2.85Å | ||
| 397 | E | 90.1 | Very high | 84.2 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.3 | -174.5 | 68.4 | -173.6 | 172.7 | 0 | 0 | 112.9 | R334 L395 S425 A442 F443 F472 | R334-E397 IonicContact CZ-OE1 3.47Å; R334-E397 IonicContact CZ-OE2 3.59Å; R334-E397 IonicContact NH1-OE1 3.36Å; R334-E397 PolarHBondContact NH1-OE1 2.91Å; R334-E397 IonicContact NH1-OE2 2.72Å; R334-E397 PolarHBondContact NH1-OE2 3.28Å; R334-E397 IonicContact NH2-OE1 2.65Å; R334-E397 PolarHBondContact NH2-OE1 3Å; R334-E397 IonicContact NH2-OE2 3.52Å; L395-E397 PolarHBondContact O-N 3.38Å; E397-S425 WeakPolarHBondContact OE2-CB 3.23Å; E397-S425 PolarHBondContact OE2-OG 2.88Å; E397-A442 HydrophobicContact CB-CB 4.39Å; E397-A442 HydrophobicContact CG-CB 4.41Å; E397-F443 CarbonylContact C-O 3.57Å; E397-F443 WeakPolarHBondContact CA-O 3.43Å; E397-F443 WeakPolarHBondContact CB-O 3.35Å; E397-F472 HydrophobicContact CG-CZ 4.04Å; E397-F472 VanDerWaalsContact OE1-CZ 3.3Å; E397-F472 WeakPolarHBondContact OE1-CZ 3.44Å |
| 398 | R | 90.2 | Very high | 83.6 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.2 | 167.9 | -60.4 | -179.1 | 68.3 | -178.4 | 0.8 | 109.4 | Y400 A442 F443 L445 D465 T467 | R398-Y400 HydrophobicContact CB-CD2 4.36Å; R398-Y400 HydrophobicContact CB-CE2 3.61Å; R398-Y400 PolarHBondContact NE-OH 2.9Å; R398-Y400 PolarHBondContact NH1-OH 2.82Å; R398-Y400 PolarHBondContact NH2-OH 3.48Å; R398-A442 VanDerWaalsContact O-CA 3.28Å; R398-A442 WeakPolarHBondContact O-CA 3.44Å; R398-F443 PolarHBondContact N-O 2.85Å; R398-F443 PolarHBondContact O-N 3.28Å; R398-L445 HydrophobicContact CB-CD1 3.99Å; R398-L445 HydrophobicContact CG-CD1 4.11Å; R398-D465 IonicContact CZ-OD2 3.57Å; R398-D465 IonicContact NE-OD2 3.58Å; R398-D465 IonicContact NH2-OD2 2.74Å; R398-D465 PolarHBondContact NH2-OD2 2.99Å; R398-T467 WeakPolarHBondContact CA-OG1 3.37Å |
| 399 | L | 91.9 | Very high | 83.6 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.7 | -178.6 | -173.9 | 75.5 | 0 | 0 | 0 | 109.8 | L426 L440 A442 E466 T467 F472 | L399-L426 HydrophobicContact CD1-CD2 4.23Å; L399-L440 HydrophobicContact CD1-CD1 4.05Å; L399-L440 HydrophobicContact CD1-CD2 4.09Å; L399-L440 HydrophobicContact CD1-CG 3.76Å; L399-L440 HydrophobicContact CD2-CD1 3.99Å; L399-L440 HydrophobicContact CD2-CD2 4.27Å; L399-L440 HydrophobicContact CD2-CG 4.36Å; L399-L440 HydrophobicContact CG-CD1 3.94Å; L399-L440 HydrophobicContact CG-CG 4.23Å; L399-A442 HydrophobicContact CD1-CB 3.86Å; L399-E466 HydrophobicContact CB-CB 4.39Å; L399-E466 HydrophobicContact CD2-CB 3.66Å; L399-E466 HydrophobicContact CG-CB 4.02Å; L399-E466 PolarHBondContact O-N 3.01Å; L399-T467 PolarHBondContact N-OG1 3.22Å; L399-T467 PolarHBondContact O-N 2.82Å; L399-T467 PolarHBondContact O-OG1 3.49Å; L399-F472 HydrophobicContact CB-CD1 4.36Å; L399-F472 HydrophobicContact CB-CD2 4.43Å; L399-F472 HydrophobicContact CB-CE1 4.28Å; L399-F472 HydrophobicContact CB-CE2 4.36Å; L399-F472 HydrophobicContact CB-CG 4.44Å; L399-F472 HydrophobicContact CB-CZ 4.29Å; L399-F472 HydrophobicContact CD1-CD2 4.27Å; L399-F472 HydrophobicContact CD1-CE2 4.24Å; L399-F472 HydrophobicContact CD2-CB 3.67Å; L399-F472 HydrophobicContact CD2-CD1 4.2Å; L399-F472 HydrophobicContact CD2-CD2 3.54Å; L399-F472 HydrophobicContact CD2-CE2 4.22Å; L399-F472 HydrophobicContact CD2-CG 3.54Å; L399-F472 HydrophobicContact CG-CD2 4.31Å |
| 400 | Y | 92.7 | Very high | 83.6 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.9 | 176.1 | -67.7 | -90.7 | 0 | 0 | 0 | 110.7 | R398 F402 A441 F443 L445 F452 L456 H464 D465 | R398-Y400 HydrophobicContact CB-CD2 4.36Å; R398-Y400 HydrophobicContact CB-CE2 3.61Å; R398-Y400 PolarHBondContact NE-OH 2.9Å; R398-Y400 PolarHBondContact NH1-OH 2.82Å; R398-Y400 PolarHBondContact NH2-OH 3.48Å; Y400-F402 HydrophobicContact CG-CE2 4.43Å; Y400-F402 HydrophobicContact CG-CZ 4.29Å; Y400-A441 PolarHBondContact N-O 3.4Å; Y400-A441 PolarHBondContact O-N 3.47Å; Y400-F443 HydrophobicContact CD2-CD2 4.17Å; Y400-F443 HydrophobicContact CD2-CE2 4.45Å; Y400-L445 HydrophobicContact CE2-CD1 4.45Å; Y400-F452 HydrophobicContact CD2-CE1 4.21Å; Y400-F452 HydrophobicContact CD2-CZ 4.09Å; Y400-F452 HydrophobicContact CE1-CE1 4.39Å; Y400-F452 AromaticContact CE2-CE1 3.47Å; Y400-F452 HydrophobicContact CE2-CE1 3.47Å; Y400-F452 VanDerWaalsContact CE2-CE1 3.47Å; Y400-F452 AromaticContact CE2-CZ 3.73Å; Y400-F452 HydrophobicContact CE2-CZ 3.73Å; Y400-F452 AromaticContact CZ-CE1 3.58Å; Y400-L456 HydrophobicContact CD1-CD2 4.45Å; Y400-L456 HydrophobicContact CE1-CD2 4.11Å; Y400-H464 CarbonylContact C-O 3.57Å; Y400-H464 VanDerWaalsContact CA-O 3.29Å; Y400-H464 WeakPolarHBondContact CA-O 3.47Å; Y400-D465 HydrophobicContact CD1-CB 4.21Å; Y400-D465 HydrophobicContact CE1-CB 3.87Å |
| 401 | S | 92.4 | Very high | 83.4 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.9 | 163 | 62.2 | 0 | 0 | 0 | 0 | 109 | V439 C463 H464 E466 | S401-V439 CarbonylContact C-O 3.48Å; S401-V439 WeakPolarHBondContact CA-O 3.41Å; S401-C463 CarbonylContact O-C 3.55Å; S401-C463 WeakPolarHBondContact O-CA 3.5Å; S401-C463 WeakPolarHBondContact O-CB 3.33Å; S401-H464 PolarHBondContact N-O 3.43Å; S401-H464 PolarHBondContact O-N 2.91Å; S401-E466 PolarHBondContact OG-OE1 3.03Å |
| 402 | F | 90.8 | Very high | 83.3 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143 | -179.7 | -61.7 | -95.7 | 0 | 0 | 0 | 110.4 | Y400 F404 F414 L418 V439 A441 F443 L456 L459 D462 C463 | Y400-F402 HydrophobicContact CG-CE2 4.43Å; Y400-F402 HydrophobicContact CG-CZ 4.29Å; F402-F404 HydrophobicContact CB-CD1 4.01Å; F402-F404 HydrophobicContact CB-CE1 3.78Å; F402-F404 HydrophobicContact CG-CE1 4.33Å; F402-F414 HydrophobicContact CD1-CE2 4.12Å; F402-F414 AromaticContact CD2-CE2 3.95Å; F402-F414 HydrophobicContact CD2-CE2 3.95Å; F402-F414 AromaticContact CE1-CE2 3.91Å; F402-F414 HydrophobicContact CE1-CE2 3.91Å; F402-F414 AromaticContact CE2-CE2 3.73Å; F402-F414 HydrophobicContact CE2-CE2 3.73Å; F402-F414 HydrophobicContact CE2-CZ 4.21Å; F402-F414 HydrophobicContact CG-CE2 4.15Å; F402-F414 AromaticContact CZ-CE2 3.72Å; F402-F414 HydrophobicContact CZ-CE2 3.72Å; F402-F414 HydrophobicContact CZ-CZ 4.44Å; F402-L418 HydrophobicContact CE1-CD1 4.29Å; F402-L418 HydrophobicContact CZ-CD1 4.18Å; F402-V439 HydrophobicContact CB-CB 4.19Å; F402-V439 HydrophobicContact CD2-CG1 4.45Å; F402-V439 PolarHBondContact N-O 3.22Å; F402-V439 PolarHBondContact O-N 3.46Å; F402-A441 HydrophobicContact CD2-CB 4.43Å; F402-A441 HydrophobicContact CE2-CB 4.03Å; F402-F443 HydrophobicContact CE2-CE2 4.1Å; F402-F443 HydrophobicContact CZ-CE2 4.06Å; F402-F443 HydrophobicContact CZ-CZ 4.49Å; F402-L456 HydrophobicContact CE1-CD1 3.46Å; F402-L456 VanDerWaalsContact CE1-CD1 3.46Å; F402-L456 HydrophobicContact CZ-CD1 3.76Å; F402-L459 HydrophobicContact CD1-CD2 4.19Å; F402-L459 HydrophobicContact CE1-CD2 4.05Å; F402-D462 CarbonylContact C-O 3.58Å; F402-D462 WeakPolarHBondContact CA-O 3.38Å; F402-C463 HydrophobicContact CD1-CB 3.56Å; F402-C463 HydrophobicContact CE1-CB 3.71Å; F402-C463 HydrophobicContact CG-CB 4.27Å; F402-C463 HydrophobicContact CZ-CB 4.5Å |
| 403 | E | 86.6 | Confident | 83.4 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 105.3 | 168.4 | -59.6 | -161 | 151.4 | 0 | 0 | 109.4 | Y436 D462 | E403-Y436 HydrophobicContact CB-CG 4.35Å; E403-D462 HydrophobicContact CB-CB 4.32Å; E403-D462 PolarHBondContact N-O 3.2Å |
| 404 | F | 82.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136 | 176.6 | -76.5 | 13.7 | 0 | 0 | 0 | 109.8 | F402 A410 L411 F414 F427 Y436 G437 V439 Y461 | F402-F404 HydrophobicContact CB-CD1 4.01Å; F402-F404 HydrophobicContact CB-CE1 3.78Å; F402-F404 HydrophobicContact CG-CE1 4.33Å; F404-A410 HydrophobicContact CB-CB 4.28Å; F404-A410 HydrophobicContact CD2-CB 4.23Å; F404-A410 HydrophobicContact CG-CB 4.47Å; F404-L411 HydrophobicContact CD2-CB 4.48Å; F404-L411 HydrophobicContact CE2-CB 4Å; F404-L411 HydrophobicContact CE2-CD1 3.83Å; F404-L411 HydrophobicContact CZ-CD1 4.45Å; F404-F414 HydrophobicContact CE1-CB 4.1Å; F404-F414 AromaticContact CE1-CD2 3.6Å; F404-F414 HydrophobicContact CE1-CD2 3.6Å; F404-F414 HydrophobicContact CE1-CE2 4.24Å; F404-F414 HydrophobicContact CE1-CG 4.01Å; F404-F414 HydrophobicContact CE2-CB 4.07Å; F404-F414 HydrophobicContact CE2-CG 4.38Å; F404-F414 HydrophobicContact CZ-CB 3.46Å; F404-F414 VanDerWaalsContact CZ-CB 3.46Å; F404-F414 HydrophobicContact CZ-CD1 4.1Å; F404-F414 AromaticContact CZ-CD2 3.49Å; F404-F414 HydrophobicContact CZ-CD2 3.49Å; F404-F414 VanDerWaalsContact CZ-CD2 3.49Å; F404-F414 HydrophobicContact CZ-CE2 4.2Å; F404-F414 AromaticContact CZ-CG 3.42Å; F404-F414 HydrophobicContact CZ-CG 3.42Å; F404-F414 VanDerWaalsContact CZ-CG 3.42Å; F404-F427 HydrophobicContact CZ-CZ 4.49Å; F404-Y436 CarbonylContact O-C 3.53Å; F404-Y436 VanDerWaalsContact O-CA 3.27Å; F404-Y436 WeakPolarHBondContact O-CA 3.38Å; F404-G437 PolarHBondContact N-O 3.46Å; F404-G437 PolarHBondContact O-N 3.37Å; F404-V439 HydrophobicContact CD1-CB 4.39Å; F404-V439 HydrophobicContact CD1-CG2 4.05Å; F404-V439 HydrophobicContact CD2-CG2 3.77Å; F404-V439 HydrophobicContact CE1-CB 4.02Å; F404-V439 HydrophobicContact CE1-CG1 4.36Å; F404-V439 HydrophobicContact CE1-CG2 3.89Å; F404-V439 HydrophobicContact CE2-CG2 3.59Å; F404-V439 HydrophobicContact CG-CG2 3.99Å; F404-V439 HydrophobicContact CZ-CB 4.08Å; F404-V439 HydrophobicContact CZ-CG1 4.11Å; F404-V439 HydrophobicContact CZ-CG2 3.65Å; F404-Y461 AromaticContact CD1-CD2 3.44Å; F404-Y461 HydrophobicContact CD1-CD2 3.44Å; F404-Y461 VanDerWaalsContact CD1-CD2 3.44Å; F404-Y461 AromaticContact CD1-CE2 3.66Å; F404-Y461 HydrophobicContact CD1-CE2 3.66Å; F404-Y461 HydrophobicContact CD1-CG 4.46Å; F404-Y461 AromaticContact CE1-CD2 3.64Å; F404-Y461 HydrophobicContact CE1-CD2 3.64Å; F404-Y461 AromaticContact CE1-CE2 3.82Å; F404-Y461 HydrophobicContact CE1-CE2 3.82Å; F404-Y461 HydrophobicContact CG-CD2 4.28Å; F404-Y461 HydrophobicContact CG-CE2 4.11Å; F404-Y461 HydrophobicContact CZ-CE2 4.39Å |
| 405 | P | 77.6 | Confident | 83.7 | Confident | 49 Ų | 49 | 46 Ų | 46 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 141.5 | 168.6 | 26.6 | -32.4 | 0 | 0 | 0 | 109.8 | S407 A410 Y461 | P405-S407 PolarHBondContact O-N 2.9Å; P405-A410 HydrophobicContact CG-CB 4.21Å; P405-A410 WeakPolarHBondContact O-CB 3.05Å; P405-Y461 HydrophobicContact CG-CD1 4.33Å; P405-Y461 HydrophobicContact CG-CE1 3.81Å |
| 406 | E | 68.2 | Low | 83.7 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69.5 | 60.9 | 170.7 | -80.3 | -138.6 | 146.9 | 0 | 0 | 111.9 | T434 | E406-T434 WeakPolarHBondContact CG-O 3.49Š|
| 407 | S | 71.3 | Confident | 83.5 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -120.6 | 136.7 | 174.1 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | P405 G409 A410 | P405-S407 PolarHBondContact O-N 2.9Å; S407-G409 PolarHBondContact O-N 2.81Å; S407-A410 WeakPolarHBondContact O-CB 3.12Å; S407-A410 PolarHBondContact O-N 2.86Å; S407-A410 VanDerWaalsContact O-N 3.15Å |
| 408 | P | 69.9 | Low | 83.1 | Confident | 138 Ų | 138 | 43.4 Ų | 43.4 | 90% | 0.896 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 128.8 | 173.5 | -25.9 | 34.1 | 0 | 0 | 0 | 110.8 | ||
| 409 | G | 76.7 | Confident | 82.3 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 38% | 0.381 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 0.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S407 L411 L412 R413 | S407-G409 PolarHBondContact O-N 2.81Å; G409-L411 VanDerWaalsContact C-N 3.27Å; G409-L411 PolarHBondContact O-N 2.7Å; G409-L412 WeakPolarHBondContact O-CB 3.46Å; G409-L412 PolarHBondContact O-N 2.9Å; G409-R413 PolarHBondContact O-N 2.77Å |
| 410 | A | 81.9 | Confident | 81.5 | Confident | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | F404 P405 S407 R413 F414 Y461 | F404-A410 HydrophobicContact CB-CB 4.28Å; F404-A410 HydrophobicContact CD2-CB 4.23Å; F404-A410 HydrophobicContact CG-CB 4.47Å; P405-A410 HydrophobicContact CG-CB 4.21Å; P405-A410 WeakPolarHBondContact O-CB 3.05Å; S407-A410 WeakPolarHBondContact O-CB 3.12Å; S407-A410 PolarHBondContact O-N 2.86Å; S407-A410 VanDerWaalsContact O-N 3.15Å; A410-R413 PolarHBondContact O-N 3.05Å; A410-F414 PolarHBondContact O-N 2.93Å; A410-Y461 VanDerWaalsContact CA-OH 3.29Å; A410-Y461 WeakPolarHBondContact CA-OH 3.3Å; A410-Y461 PolarHBondContact O-OH 3.39Å |
| 411 | L | 82.2 | Confident | 80.9 | Confident | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 173.7 | 176.9 | 63.7 | 0 | 0 | 0 | 112.5 | F316 F404 G409 R413 F414 L415 F427 | F316-L411 HydrophobicContact CZ-CD1 4.31Å; F404-L411 HydrophobicContact CD2-CB 4.48Å; F404-L411 HydrophobicContact CE2-CB 4Å; F404-L411 HydrophobicContact CE2-CD1 3.83Å; F404-L411 HydrophobicContact CZ-CD1 4.45Å; G409-L411 VanDerWaalsContact C-N 3.27Å; G409-L411 PolarHBondContact O-N 2.7Å; L411-R413 VanDerWaalsContact C-N 3.3Å; L411-R413 PolarHBondContact O-N 3.48Å; L411-F414 WeakPolarHBondContact O-CB 3.45Å; L411-F414 PolarHBondContact O-N 3.46Å; L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.2Å; L411-L415 HydrophobicContact CG-CD1 4.14Å; L411-L415 WeakPolarHBondContact O-CG 3.29Å; L411-L415 PolarHBondContact O-N 2.97Å; L411-F427 HydrophobicContact CD1-CE1 3.78Å; L411-F427 HydrophobicContact CD1-CZ 3.46Å; L411-F427 VanDerWaalsContact CD1-CZ 3.46Å |
| 412 | L | 83.1 | Confident | 80.6 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 29% | 0.293 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.3 | -73.6 | 171.8 | 0 | 0 | 0 | 110.9 | L317 C320 Q321 G409 L415 N416 | L317-L412 HydrophobicContact CD1-CD2 3.91Å; C320-L412 HydrophobicContact CB-CD2 3.7Å; Q321-L412 HydrophobicContact CG-CD2 4.21Å; G409-L412 WeakPolarHBondContact O-CB 3.46Å; G409-L412 PolarHBondContact O-N 2.9Å; L412-L415 PolarHBondContact O-N 3.46Å; L412-N416 WeakPolarHBondContact O-CB 3.37Å; L412-N416 PolarHBondContact O-N 3.24Å; L412-N416 PolarHBondContact O-ND2 2.79Å |
| 413 | R | 84.9 | Confident | 80.3 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 174.4 | -179.7 | 175.6 | 175.1 | -166.2 | -3.7 | 110.8 | G409 A410 L411 L415 N416 T417 L459 Y461 | G409-R413 PolarHBondContact O-N 2.77Å; A410-R413 PolarHBondContact O-N 3.05Å; L411-R413 VanDerWaalsContact C-N 3.3Å; L411-R413 PolarHBondContact O-N 3.48Å; R413-L415 PolarHBondContact O-N 3.3Å; R413-N416 PolarHBondContact O-N 3.08Å; R413-T417 WeakPolarHBondContact O-CB 3.3Å; R413-T417 PolarHBondContact O-N 2.9Å; R413-T417 PolarHBondContact O-OG1 3.44Å; R413-L459 HydrophobicContact CG-CD1 4.25Å; R413-L459 PolarHBondContact NH2-O 3.12Å; R413-Y461 WeakPolarHBondContact CD-OH 3.5Å |
| 414 | F | 87.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.4 | -49.2 | 174.2 | 173 | -85.4 | 0 | 0 | 0 | 112.5 | F402 F404 A410 L411 N416 T417 L418 I424 F427 A441 F443 L459 Y461 | F402-F414 HydrophobicContact CD1-CE2 4.12Å; F402-F414 AromaticContact CD2-CE2 3.95Å; F402-F414 HydrophobicContact CD2-CE2 3.95Å; F402-F414 AromaticContact CE1-CE2 3.91Å; F402-F414 HydrophobicContact CE1-CE2 3.91Å; F402-F414 AromaticContact CE2-CE2 3.73Å; F402-F414 HydrophobicContact CE2-CE2 3.73Å; F402-F414 HydrophobicContact CE2-CZ 4.21Å; F402-F414 HydrophobicContact CG-CE2 4.15Å; F402-F414 AromaticContact CZ-CE2 3.72Å; F402-F414 HydrophobicContact CZ-CE2 3.72Å; F402-F414 HydrophobicContact CZ-CZ 4.44Å; F404-F414 HydrophobicContact CE1-CB 4.1Å; F404-F414 AromaticContact CE1-CD2 3.6Å; F404-F414 HydrophobicContact CE1-CD2 3.6Å; F404-F414 HydrophobicContact CE1-CE2 4.24Å; F404-F414 HydrophobicContact CE1-CG 4.01Å; F404-F414 HydrophobicContact CE2-CB 4.07Å; F404-F414 HydrophobicContact CE2-CG 4.38Å; F404-F414 HydrophobicContact CZ-CB 3.46Å; F404-F414 VanDerWaalsContact CZ-CB 3.46Å; F404-F414 HydrophobicContact CZ-CD1 4.1Å; F404-F414 AromaticContact CZ-CD2 3.49Å; F404-F414 HydrophobicContact CZ-CD2 3.49Å; F404-F414 VanDerWaalsContact CZ-CD2 3.49Å; F404-F414 HydrophobicContact CZ-CE2 4.2Å; F404-F414 AromaticContact CZ-CG 3.42Å; F404-F414 HydrophobicContact CZ-CG 3.42Å; F404-F414 VanDerWaalsContact CZ-CG 3.42Å; A410-F414 PolarHBondContact O-N 2.93Å; L411-F414 WeakPolarHBondContact O-CB 3.45Å; L411-F414 PolarHBondContact O-N 3.46Å; F414-N416 PolarHBondContact O-N 3.2Å; F414-T417 PolarHBondContact O-N 3.06Å; F414-L418 HydrophobicContact CD2-CD1 4.08Å; F414-L418 HydrophobicContact CE2-CD1 3.69Å; F414-L418 HydrophobicContact CZ-CD1 4.17Å; F414-L418 PolarHBondContact O-N 2.84Å; F414-I424 HydrophobicContact CE1-CD1 4.33Å; F414-F427 AromaticContact CD1-CE2 3.97Å; F414-F427 HydrophobicContact CD1-CE2 3.97Å; F414-F427 HydrophobicContact CD1-CZ 4.37Å; F414-F427 HydrophobicContact CE1-CD2 4.12Å; F414-F427 AromaticContact CE1-CE2 3.33Å; F414-F427 HydrophobicContact CE1-CE2 3.33Å; F414-F427 HydrophobicContact CE1-CZ 4.16Å; F414-F427 HydrophobicContact CZ-CD2 4.45Å; F414-F427 AromaticContact CZ-CE2 3.72Å; F414-F427 HydrophobicContact CZ-CE2 3.72Å; F414-A441 HydrophobicContact CZ-CB 3.96Å; F414-F443 HydrophobicContact CE1-CZ 4.33Å; F414-F443 HydrophobicContact CE2-CZ 4.21Å; F414-F443 HydrophobicContact CZ-CE1 4.34Å; F414-F443 HydrophobicContact CZ-CE2 4.39Å; F414-F443 AromaticContact CZ-CZ 3.54Å; F414-F443 HydrophobicContact CZ-CZ 3.54Å; F414-L459 HydrophobicContact CB-CD1 4.31Å; F414-L459 HydrophobicContact CD2-CD2 3.66Å; F414-L459 HydrophobicContact CE2-CD2 4.32Å; F414-Y461 HydrophobicContact CB-CE2 4.27Å |
| 415 | L | 85.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | -177.9 | -67.4 | 176.3 | 0 | 0 | 0 | 113.1 | F316 L317 C320 L411 L412 R413 G419 T420 I424 | F316-L415 HydrophobicContact CD1-CD1 3.85Å; F316-L415 HydrophobicContact CD1-CD2 3.27Å; F316-L415 HydrophobicContact CD1-CG 4.2Å; F316-L415 HydrophobicContact CD2-CD1 4.06Å; F316-L415 HydrophobicContact CE1-CD1 3.88Å; F316-L415 HydrophobicContact CE1-CD2 3.5Å; F316-L415 HydrophobicContact CE1-CG 4.24Å; F316-L415 HydrophobicContact CE2-CD1 4.04Å; F316-L415 HydrophobicContact CG-CD1 3.93Å; F316-L415 HydrophobicContact CG-CD2 4.03Å; F316-L415 HydrophobicContact CZ-CD1 3.97Å; F316-L415 HydrophobicContact CZ-CD2 4.39Å; L317-L415 HydrophobicContact CB-CB 4.25Å; L317-L415 HydrophobicContact CD1-CB 3.88Å; C320-L415 HydrophobicContact CB-CD1 4.29Å; L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.2Å; L411-L415 HydrophobicContact CG-CD1 4.14Å; L411-L415 WeakPolarHBondContact O-CG 3.29Å; L411-L415 PolarHBondContact O-N 2.97Å; L412-L415 PolarHBondContact O-N 3.46Å; R413-L415 PolarHBondContact O-N 3.3Å; L415-G419 CarbonylContact O-C 3.54Å; L415-G419 VanDerWaalsContact O-CA 3.32Å; L415-G419 WeakPolarHBondContact O-CA 3.37Å; L415-G419 PolarHBondContact O-N 3.31Å; L415-T420 PolarHBondContact O-N 2.86Å; L415-I424 HydrophobicContact CD2-CD1 3.85Å |
| 416 | N | 84.7 | Confident | 81.4 | Confident | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -32.5 | 173.1 | -78.2 | -60.7 | 0 | 0 | 0 | 112.5 | L317 L412 R413 F414 T420 | L317-N416 VanDerWaalsContact CD2-OD1 3.28Å; L317-N416 WeakPolarHBondContact CD2-OD1 3.32Å; L412-N416 WeakPolarHBondContact O-CB 3.37Å; L412-N416 PolarHBondContact O-N 3.24Å; L412-N416 PolarHBondContact O-ND2 2.79Å; R413-N416 PolarHBondContact O-N 3.08Å; F414-N416 PolarHBondContact O-N 3.2Å; N416-T420 PolarHBondContact O-OG1 3.48Å |
| 417 | T | 82.9 | Confident | 82.5 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -83.4 | -40.3 | -178 | -58 | 0 | 0 | 0 | 0 | 112.6 | R413 F414 Y421 R455 L459 | R413-T417 WeakPolarHBondContact O-CB 3.3Å; R413-T417 PolarHBondContact O-N 2.9Å; R413-T417 PolarHBondContact O-OG1 3.44Å; F414-T417 PolarHBondContact O-N 3.06Å; T417-Y421 WeakPolarHBondContact O-CD2 3.42Å; T417-R455 HydrophobicContact CG2-CB 4.33Å; T417-R455 WeakPolarHBondContact CG2-O 3.37Å; T417-L459 HydrophobicContact CG2-CB 4.12Å; T417-L459 HydrophobicContact CG2-CD1 4.49Å |
| 418 | L | 82.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -45.1 | -174.6 | -61.6 | 177.2 | 0 | 0 | 0 | 113.2 | F402 F414 T420 Y421 W422 F443 F452 R455 L456 L459 | F402-L418 HydrophobicContact CE1-CD1 4.29Å; F402-L418 HydrophobicContact CZ-CD1 4.18Å; F414-L418 HydrophobicContact CD2-CD1 4.08Å; F414-L418 HydrophobicContact CE2-CD1 3.69Å; F414-L418 HydrophobicContact CZ-CD1 4.17Å; F414-L418 PolarHBondContact O-N 2.84Å; L418-T420 PolarHBondContact O-N 3.29Å; L418-T420 VanDerWaalsContact O-N 3.12Å; L418-Y421 PolarHBondContact O-N 2.93Å; L418-Y421 VanDerWaalsContact O-N 3.09Å; L418-W422 HydrophobicContact CB-CE3 4.39Å; L418-W422 HydrophobicContact CD2-CE3 4.03Å; L418-W422 HydrophobicContact CD2-CZ3 3.65Å; L418-W422 PolarHBondContact O-N 3.24Å; L418-F443 HydrophobicContact CB-CE1 3.98Å; L418-F443 HydrophobicContact CB-CZ 4.13Å; L418-F443 HydrophobicContact CD1-CE1 4.49Å; L418-F443 HydrophobicContact CD1-CZ 3.82Å; L418-F452 HydrophobicContact CD2-CE2 4.37Å; L418-R455 HydrophobicContact CD2-CB 3.85Å; L418-L456 HydrophobicContact CD1-CD1 4.14Å; L418-L459 HydrophobicContact CD1-CD2 4Å |
| 419 | G | 72.1 | Confident | 84.2 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G314 L415 | G314-G419 PolarHBondContact N-O 2.88Å; L415-G419 CarbonylContact O-C 3.54Å; L415-G419 VanDerWaalsContact O-CA 3.32Å; L415-G419 WeakPolarHBondContact O-CA 3.37Å; L415-G419 PolarHBondContact O-N 3.31Å |
| 420 | T | 76.7 | Confident | 84.4 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -21 | 173.7 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | L317 L415 N416 L418 | L317-T420 HydrophobicContact CD2-CG2 3.78Å; L415-T420 PolarHBondContact O-N 2.86Å; N416-T420 PolarHBondContact O-OG1 3.48Å; L418-T420 PolarHBondContact O-N 3.29Å; L418-T420 VanDerWaalsContact O-N 3.12Å |
| 421 | Y | 80.2 | Confident | 83.9 | Confident | 113 Ų | 113 | 35.2 Ų | 35.2 | 44% | 0.443 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -41 | -174.2 | -65.6 | -79.4 | 0 | 0 | 0 | 111.9 | K313 T417 L418 | K313-Y421 PolarHBondContact NZ-O 3.5Å; T417-Y421 WeakPolarHBondContact O-CD2 3.42Å; L418-Y421 PolarHBondContact O-N 2.93Å; L418-Y421 VanDerWaalsContact O-N 3.09Å |
| 422 | W | 84.2 | Confident | 83 | Confident | 22 Ų | 22 | 40 Ų | 40 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -113.3 | 152.8 | -176.3 | -63.4 | -79.5 | 0 | 0 | 0 | 112.7 | L418 I424 F443 L445 E449 D451 F452 R455 | L418-W422 HydrophobicContact CB-CE3 4.39Å; L418-W422 HydrophobicContact CD2-CE3 4.03Å; L418-W422 HydrophobicContact CD2-CZ3 3.65Å; L418-W422 PolarHBondContact O-N 3.24Å; W422-I424 PolarHBondContact O-N 3.09Å; W422-F443 HydrophobicContact CB-CD1 4Å; W422-L445 HydrophobicContact CB-CD2 4.44Å; W422-L445 HydrophobicContact CG-CD2 3.85Å; W422-E449 PolarHBondContact NE1-OE2 3.32Å; W422-D451 HydrophobicContact CZ2-CB 4.23Å; W422-F452 AromaticContact CD2-CD2 3.62Å; W422-F452 HydrophobicContact CD2-CD2 3.62Å; W422-F452 HydrophobicContact CD2-CE2 4.29Å; W422-F452 AromaticContact CE2-CD2 3.72Å; W422-F452 AromaticContact CE3-CD2 3.77Å; W422-F452 HydrophobicContact CE3-CD2 3.77Å; W422-F452 HydrophobicContact CE3-CE2 4.24Å; W422-F452 HydrophobicContact CG-CD2 4.13Å; W422-F452 VanDerWaalsContact CH2-CA 3.49Å; W422-F452 HydrophobicContact CH2-CB 4.21Å; W422-F452 HydrophobicContact CH2-CD2 4.19Å; W422-F452 HydrophobicContact CZ2-CB 3.71Å; W422-F452 HydrophobicContact CZ2-CD2 4.02Å; W422-F452 HydrophobicContact CZ2-CG 4.37Å; W422-F452 HydrophobicContact CZ3-CD2 4.07Å; W422-R455 HydrophobicContact CH2-CB 3.83Å; W422-R455 HydrophobicContact CH2-CG 3.63Å; W422-R455 HydrophobicContact CZ3-CB 3.88Å; W422-R455 HydrophobicContact CZ3-CG 3.96Å |
| 423 | N | 85.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.2 | 171.6 | -163.8 | 39.5 | 0 | 0 | 0 | 108.9 | F443 E444 | N423-F443 WeakPolarHBondContact O-CA 3.43Å; N423-E444 HydrophobicContact CB-CB 4.35Å; N423-E444 PolarHBondContact ND2-OE1 3.12Å; N423-E444 PolarHBondContact O-N 2.85Å |
| 424 | I | 89 | Confident | 80.7 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.1 | 174.2 | -61.4 | 173.9 | 0 | 0 | 0 | 106.2 | F316 Y333 F414 L415 W422 L426 F427 A442 F443 | F316-I424 HydrophobicContact CD1-CD1 4.29Å; Y333-I424 VanDerWaalsContact CE1-O 3.3Å; Y333-I424 WeakPolarHBondContact CE1-O 3.22Å; F414-I424 HydrophobicContact CE1-CD1 4.33Å; L415-I424 HydrophobicContact CD2-CD1 3.85Å; W422-I424 PolarHBondContact O-N 3.09Å; I424-L426 VanDerWaalsContact CG2-O 3.23Å; I424-L426 WeakPolarHBondContact CG2-O 3.4Å; I424-F427 HydrophobicContact CG2-CB 3.99Å; I424-F427 HydrophobicContact CG2-CD2 4.2Å; I424-A442 CarbonylContact C-O 3.6Å; I424-A442 WeakPolarHBondContact CA-O 3.28Å; I424-F443 HydrophobicContact CD1-CE1 4.31Å; I424-F443 HydrophobicContact CG1-CD1 3.89Å; I424-F443 HydrophobicContact CG1-CE1 3.68Å |
| 425 | S | 89.5 | Confident | 79 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -16.1 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | R334 F335 E397 A442 | R334-S425 WeakPolarHBondContact CA-O 3.41Å; R334-S425 WeakPolarHBondContact CD-O 3.07Å; R334-S425 PolarHBondContact NH1-O 3.45Å; F335-S425 PolarHBondContact N-O 3.32Å; E397-S425 WeakPolarHBondContact OE2-CB 3.23Å; E397-S425 PolarHBondContact OE2-OG 2.88Å; S425-A442 PolarHBondContact N-O 2.77Å; S425-A442 WeakPolarHBondContact OG-CB 3.45Å; S425-A442 PolarHBondContact OG-O 2.96Å |
| 426 | L | 90.8 | Very high | 78 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 137.5 | 173.9 | -177.6 | 153.3 | 0 | 0 | 0 | 108.3 | Y333 L399 I424 L440 A441 A442 L476 | Y333-L426 WeakPolarHBondContact O-CA 3.37Å; L399-L426 HydrophobicContact CD1-CD2 4.23Å; I424-L426 VanDerWaalsContact CG2-O 3.23Å; I424-L426 WeakPolarHBondContact CG2-O 3.4Å; L426-L440 HydrophobicContact CD2-CB 4.43Å; L426-L440 HydrophobicContact CD2-CD2 4.22Å; L426-L440 HydrophobicContact CD2-CG 4.19Å; L426-L440 WeakPolarHBondContact CD2-O 3.38Å; L426-A441 CarbonylContact O-C 3.58Å; L426-A441 VanDerWaalsContact O-CA 3.22Å; L426-A441 WeakPolarHBondContact O-CA 3.35Å; L426-A442 HydrophobicContact CB-CB 3.63Å; L426-A442 PolarHBondContact N-O 2.93Å; L426-A442 PolarHBondContact O-N 2.82Å; L426-L476 HydrophobicContact CD1-CD1 4.18Å |
| 427 | F | 91.2 | Very high | 77.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 121.3 | 168.3 | -159.9 | -92.5 | 0 | 0 | 0 | 110.1 | F316 F331 N332 Y333 F404 L411 F414 I424 V439 L440 A441 | F316-F427 HydrophobicContact CE1-CB 4.45Å; F316-F427 AromaticContact CE1-CD1 3.69Å; F316-F427 HydrophobicContact CE1-CD1 3.69Å; F316-F427 HydrophobicContact CE1-CD2 4.15Å; F316-F427 AromaticContact CE1-CE1 3.85Å; F316-F427 HydrophobicContact CE1-CE1 3.85Å; F316-F427 HydrophobicContact CE1-CE2 4.34Å; F316-F427 AromaticContact CE1-CG 3.82Å; F316-F427 HydrophobicContact CE1-CG 3.82Å; F316-F427 HydrophobicContact CE1-CZ 4.18Å; F316-F427 AromaticContact CZ-CD1 3.89Å; F316-F427 HydrophobicContact CZ-CD1 3.89Å; F316-F427 AromaticContact CZ-CE1 3.9Å; F316-F427 HydrophobicContact CZ-CE1 3.9Å; F316-F427 HydrophobicContact CZ-CG 4.47Å; F331-F427 HydrophobicContact CD1-CB 4.29Å; F331-F427 AromaticContact CD1-CD1 3.54Å; F331-F427 HydrophobicContact CD1-CD1 3.54Å; F331-F427 HydrophobicContact CD1-CE1 4.36Å; F331-F427 HydrophobicContact CD1-CG 4.34Å; F331-F427 HydrophobicContact CE1-CB 4.17Å; F331-F427 HydrophobicContact CE1-CD1 4.03Å; F331-F427 HydrophobicContact CE1-CG 4.47Å; F331-F427 HydrophobicContact CG-CD1 4.29Å; N332-F427 CarbonylContact C-O 3.56Å; N332-F427 WeakPolarHBondContact CA-O 3.33Å; Y333-F427 HydrophobicContact CD1-CB 4.49Å; Y333-F427 PolarHBondContact N-O 2.84Å; Y333-F427 PolarHBondContact O-N 2.91Å; F404-F427 HydrophobicContact CZ-CZ 4.49Å; L411-F427 HydrophobicContact CD1-CE1 3.78Å; L411-F427 HydrophobicContact CD1-CZ 3.46Å; L411-F427 VanDerWaalsContact CD1-CZ 3.46Å; F414-F427 AromaticContact CD1-CE2 3.97Å; F414-F427 HydrophobicContact CD1-CE2 3.97Å; F414-F427 HydrophobicContact CD1-CZ 4.37Å; F414-F427 HydrophobicContact CE1-CD2 4.12Å; F414-F427 AromaticContact CE1-CE2 3.33Å; F414-F427 HydrophobicContact CE1-CE2 3.33Å; F414-F427 HydrophobicContact CE1-CZ 4.16Å; F414-F427 HydrophobicContact CZ-CD2 4.45Å; F414-F427 AromaticContact CZ-CE2 3.72Å; F414-F427 HydrophobicContact CZ-CE2 3.72Å; I424-F427 HydrophobicContact CG2-CB 3.99Å; I424-F427 HydrophobicContact CG2-CD2 4.2Å; F427-V439 HydrophobicContact CD2-CG1 4.24Å; F427-V439 HydrophobicContact CE1-CG1 4.09Å; F427-V439 HydrophobicContact CE2-CG1 3.44Å; F427-V439 VanDerWaalsContact CE2-CG1 3.44Å; F427-V439 HydrophobicContact CZ-CG1 3.38Å; F427-V439 HydrophobicContact CZ-CG2 4.33Å; F427-L440 CarbonylContact C-O 3.57Å; F427-L440 WeakPolarHBondContact CA-O 3.29Å; F427-A441 HydrophobicContact CD2-CB 3.66Å; F427-A441 HydrophobicContact CE2-CB 3.98Å |
| 428 | H | 91.2 | Very high | 77.1 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.2 | 174.4 | 173.9 | -76 | 0 | 0 | 0 | 109.1 | F331 N332 V439 L440 | F331-H428 CarbonylContact O-C 3.57Å; F331-H428 VanDerWaalsContact O-CA 3.3Å; F331-H428 WeakPolarHBondContact O-CA 3.29Å; N332-H428 PolarHBondContact OD1-CD2 2.85Å; N332-H428 PolarHBondContact OD1-NE2 2.55Å; H428-V439 CarbonylContact O-C 3.59Å; H428-V439 WeakPolarHBondContact O-CA 3.28Å; H428-L440 HydrophobicContact CB-CB 4.32Å; H428-L440 PolarHBondContact N-O 3.37Å; H428-L440 PolarHBondContact O-N 2.85Å |
| 429 | Y | 87 | Confident | 77.3 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 14% | 0.137 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133 | 176.1 | 169.4 | -115.8 | 0 | 0 | 0 | 109.6 | V328 E330 F331 V439 | V328-Y429 HydrophobicContact CG1-CD1 4.33Å; V328-Y429 HydrophobicContact CG1-CE1 4.44Å; V328-Y429 WeakPolarHBondContact O-CE1 3.26Å; E330-Y429 CarbonylContact C-O 3.59Å; E330-Y429 VanDerWaalsContact CA-O 3.28Å; E330-Y429 WeakPolarHBondContact CA-O 3.09Å; F331-Y429 PolarHBondContact N-O 3.27Å; F331-Y429 PolarHBondContact O-N 3.1Å; Y429-V439 HydrophobicContact CD2-CG2 3.38Å; Y429-V439 HydrophobicContact CE2-CG2 4.2Å; Y429-V439 HydrophobicContact CG-CG2 4.05Å |
| 430 | R | 80.1 | Confident | 78.3 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 126 | 169.4 | -168.4 | 168.5 | 173.9 | -178.9 | -3.6 | 110.1 | E293 T329 H432 | E293-R430 IonicContact OE1-NH2 2.75Å; T329-R430 WeakPolarHBondContact O-CA 3.42Å; R430-H432 VanDerWaalsContact CD-CE1 3.48Å; R430-H432 WeakPolarHBondContact CD-CE1 3.37Å; R430-H432 PolarHBondContact NE-CE1 3.02Å; R430-H432 VanDerWaalsContact NE-CE1 3.34Å |
| 431 | S | 71.9 | Confident | 79 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | trans | -82.2 | 121 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | T329 | T329-S431 PolarHBondContact O-N 3.16Š| ||
| 432 | H | 64.1 | Low | 79.6 | Confident | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | trans | -108.6 | 12.9 | 177.9 | -74.3 | -63.3 | 0 | 0 | 0 | 113.3 | R430 T434 | R430-H432 VanDerWaalsContact CD-CE1 3.48Å; R430-H432 WeakPolarHBondContact CD-CE1 3.37Å; R430-H432 PolarHBondContact NE-CE1 3.02Å; R430-H432 VanDerWaalsContact NE-CE1 3.34Å; H432-T434 HydrophobicContact CB-CG2 4.44Å; H432-T434 PolarHBondContact O-N 3.35Å | ||
| 433 | G | 59.5 | Low | 79.8 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 66% | 0.66 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 62.9 | 25.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 434 | T | 58.3 | Low | 80 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.8 | 159 | 170.3 | 47 | 0 | 0 | 0 | 0 | 109.8 | E406 H432 Y436 | E406-T434 WeakPolarHBondContact CG-O 3.49Å; H432-T434 HydrophobicContact CB-CG2 4.44Å; H432-T434 PolarHBondContact O-N 3.35Å; T434-Y436 PolarHBondContact O-N 3.44Å; T434-Y436 PolarHBondContact OG1-O 3.19Å |
| 435 | D | 52.9 | Low | 79.8 | Confident | 132 Ų | 132 | 47.3 Ų | 47.3 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -50.6 | -22.8 | -178.9 | -61.2 | -22 | 0 | 0 | 0 | 114.4 | ||
| 436 | Y | 63.1 | Low | 79.2 | Confident | 113 Ų | 113 | 49 Ų | 49 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.5 | 176.4 | -48.4 | -81.8 | 0 | 0 | 0 | 111.5 | E403 F404 T434 | E403-Y436 HydrophobicContact CB-CG 4.35Å; F404-Y436 CarbonylContact O-C 3.53Å; F404-Y436 VanDerWaalsContact O-CA 3.27Å; F404-Y436 WeakPolarHBondContact O-CA 3.38Å; T434-Y436 PolarHBondContact O-N 3.44Å; T434-Y436 PolarHBondContact OG1-O 3.19Å |
| 437 | G | 68.1 | Low | 78.4 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | F404 | F404-G437 PolarHBondContact N-O 3.46Å; F404-G437 PolarHBondContact O-N 3.37Å |
| 438 | R | 81.2 | Confident | 77.5 | Confident | 179 Ų | 179 | 63.6 Ų | 63.6 | 68% | 0.675 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.4 | 176.8 | -68.5 | -177.2 | 177.8 | 173.8 | 0.8 | 110.1 | ||
| 439 | V | 87.8 | Confident | 76.8 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.5 | 176 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | S401 F402 F404 F427 H428 Y429 A441 | S401-V439 CarbonylContact C-O 3.48Å; S401-V439 WeakPolarHBondContact CA-O 3.41Å; F402-V439 HydrophobicContact CB-CB 4.19Å; F402-V439 HydrophobicContact CD2-CG1 4.45Å; F402-V439 PolarHBondContact N-O 3.22Å; F402-V439 PolarHBondContact O-N 3.46Å; F404-V439 HydrophobicContact CD1-CB 4.39Å; F404-V439 HydrophobicContact CD1-CG2 4.05Å; F404-V439 HydrophobicContact CD2-CG2 3.77Å; F404-V439 HydrophobicContact CE1-CB 4.02Å; F404-V439 HydrophobicContact CE1-CG1 4.36Å; F404-V439 HydrophobicContact CE1-CG2 3.89Å; F404-V439 HydrophobicContact CE2-CG2 3.59Å; F404-V439 HydrophobicContact CG-CG2 3.99Å; F404-V439 HydrophobicContact CZ-CB 4.08Å; F404-V439 HydrophobicContact CZ-CG1 4.11Å; F404-V439 HydrophobicContact CZ-CG2 3.65Å; F427-V439 HydrophobicContact CD2-CG1 4.24Å; F427-V439 HydrophobicContact CE1-CG1 4.09Å; F427-V439 HydrophobicContact CE2-CG1 3.44Å; F427-V439 VanDerWaalsContact CE2-CG1 3.44Å; F427-V439 HydrophobicContact CZ-CG1 3.38Å; F427-V439 HydrophobicContact CZ-CG2 4.33Å; H428-V439 CarbonylContact O-C 3.59Å; H428-V439 WeakPolarHBondContact O-CA 3.28Å; Y429-V439 HydrophobicContact CD2-CG2 3.38Å; Y429-V439 HydrophobicContact CE2-CG2 4.2Å; Y429-V439 HydrophobicContact CG-CG2 4.05Å; V439-A441 HydrophobicContact CG1-CB 4.47Å |
| 440 | L | 91.2 | Very high | 76.3 | Confident | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.5 | 168.3 | -167.4 | 72.8 | 0 | 0 | 0 | 107.5 | L399 L426 F427 H428 | L399-L440 HydrophobicContact CD1-CD1 4.05Å; L399-L440 HydrophobicContact CD1-CD2 4.09Å; L399-L440 HydrophobicContact CD1-CG 3.76Å; L399-L440 HydrophobicContact CD2-CD1 3.99Å; L399-L440 HydrophobicContact CD2-CD2 4.27Å; L399-L440 HydrophobicContact CD2-CG 4.36Å; L399-L440 HydrophobicContact CG-CD1 3.94Å; L399-L440 HydrophobicContact CG-CG 4.23Å; L426-L440 HydrophobicContact CD2-CB 4.43Å; L426-L440 HydrophobicContact CD2-CD2 4.22Å; L426-L440 HydrophobicContact CD2-CG 4.19Å; L426-L440 WeakPolarHBondContact CD2-O 3.38Å; F427-L440 CarbonylContact C-O 3.57Å; F427-L440 WeakPolarHBondContact CA-O 3.29Å; H428-L440 HydrophobicContact CB-CB 4.32Å; H428-L440 PolarHBondContact N-O 3.37Å; H428-L440 PolarHBondContact O-N 2.85Å |
| 441 | A | 92.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y400 F402 F414 L426 F427 V439 F443 | Y400-A441 PolarHBondContact N-O 3.4Å; Y400-A441 PolarHBondContact O-N 3.47Å; F402-A441 HydrophobicContact CD2-CB 4.43Å; F402-A441 HydrophobicContact CE2-CB 4.03Å; F414-A441 HydrophobicContact CZ-CB 3.96Å; L426-A441 CarbonylContact O-C 3.58Å; L426-A441 VanDerWaalsContact O-CA 3.22Å; L426-A441 WeakPolarHBondContact O-CA 3.35Å; F427-A441 HydrophobicContact CD2-CB 3.66Å; F427-A441 HydrophobicContact CE2-CB 3.98Å; V439-A441 HydrophobicContact CG1-CB 4.47Å; A441-F443 HydrophobicContact CB-CE2 3.95Å; A441-F443 HydrophobicContact CB-CZ 4.15Å |
| 442 | A | 91.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | E397 R398 L399 I424 S425 L426 | E397-A442 HydrophobicContact CB-CB 4.39Å; E397-A442 HydrophobicContact CG-CB 4.41Å; R398-A442 VanDerWaalsContact O-CA 3.28Å; R398-A442 WeakPolarHBondContact O-CA 3.44Å; L399-A442 HydrophobicContact CD1-CB 3.86Å; I424-A442 CarbonylContact C-O 3.6Å; I424-A442 WeakPolarHBondContact CA-O 3.28Å; S425-A442 PolarHBondContact N-O 2.77Å; S425-A442 WeakPolarHBondContact OG-CB 3.45Å; S425-A442 PolarHBondContact OG-O 2.96Å; L426-A442 HydrophobicContact CB-CB 3.63Å; L426-A442 PolarHBondContact N-O 2.93Å; L426-A442 PolarHBondContact O-N 2.82Å |
| 443 | F | 90.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136 | 178.8 | -57.7 | -91.9 | 0 | 0 | 0 | 109.3 | E397 R398 Y400 F402 F414 L418 W422 N423 I424 A441 L445 F452 | E397-F443 CarbonylContact C-O 3.57Å; E397-F443 WeakPolarHBondContact CA-O 3.43Å; E397-F443 WeakPolarHBondContact CB-O 3.35Å; R398-F443 PolarHBondContact N-O 2.85Å; R398-F443 PolarHBondContact O-N 3.28Å; Y400-F443 HydrophobicContact CD2-CD2 4.17Å; Y400-F443 HydrophobicContact CD2-CE2 4.45Å; F402-F443 HydrophobicContact CE2-CE2 4.1Å; F402-F443 HydrophobicContact CZ-CE2 4.06Å; F402-F443 HydrophobicContact CZ-CZ 4.49Å; F414-F443 HydrophobicContact CE1-CZ 4.33Å; F414-F443 HydrophobicContact CE2-CZ 4.21Å; F414-F443 HydrophobicContact CZ-CE1 4.34Å; F414-F443 HydrophobicContact CZ-CE2 4.39Å; F414-F443 AromaticContact CZ-CZ 3.54Å; F414-F443 HydrophobicContact CZ-CZ 3.54Å; L418-F443 HydrophobicContact CB-CE1 3.98Å; L418-F443 HydrophobicContact CB-CZ 4.13Å; L418-F443 HydrophobicContact CD1-CE1 4.49Å; L418-F443 HydrophobicContact CD1-CZ 3.82Å; W422-F443 HydrophobicContact CB-CD1 4Å; N423-F443 WeakPolarHBondContact O-CA 3.43Å; I424-F443 HydrophobicContact CD1-CE1 4.31Å; I424-F443 HydrophobicContact CG1-CD1 3.89Å; I424-F443 HydrophobicContact CG1-CE1 3.68Å; A441-F443 HydrophobicContact CB-CE2 3.95Å; A441-F443 HydrophobicContact CB-CZ 4.15Å; F443-L445 HydrophobicContact CB-CD1 4.17Å; F443-L445 HydrophobicContact CB-CD2 4.11Å; F443-L445 HydrophobicContact CB-CG 3.89Å; F443-L445 PolarHBondContact O-N 2.92Å; F443-F452 HydrophobicContact CB-CE2 4.25Å; F443-F452 HydrophobicContact CD1-CE2 4.24Å; F443-F452 AromaticContact CD2-CE2 3.88Å; F443-F452 HydrophobicContact CD2-CE2 3.88Å; F443-F452 AromaticContact CD2-CZ 3.73Å; F443-F452 HydrophobicContact CD2-CZ 3.73Å; F443-F452 HydrophobicContact CE2-CE2 4.2Å; F443-F452 AromaticContact CE2-CZ 3.98Å; F443-F452 HydrophobicContact CE2-CZ 3.98Å; F443-F452 AromaticContact CG-CE2 3.88Å; F443-F452 HydrophobicContact CG-CE2 3.88Å; F443-F452 HydrophobicContact CG-CZ 4.19Å; F443-F452 HydrophobicContact CZ-CE2 4.47Å |
| 444 | E | 88.4 | Confident | 79.3 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 114.9 | 167.3 | -72.4 | 177 | -119.2 | 0 | 0 | 108.9 | L395 Q396 N423 | L395-E444 HydrophobicContact CB-CG 4.48Å; Q396-E444 WeakPolarHBondContact O-CA 3.34Å; N423-E444 HydrophobicContact CB-CB 4.35Å; N423-E444 PolarHBondContact ND2-OE1 3.12Å; N423-E444 PolarHBondContact O-N 2.85Å |
| 445 | L | 84.7 | Confident | 80.6 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | trans | -133.3 | 137.8 | -175 | -60.7 | 174.3 | 0 | 0 | 0 | 109 | Q396 R398 Y400 W422 F443 E449 F452 | Q396-L445 WeakPolarHBondContact CG-O 3.33Å; Q396-L445 PolarHBondContact O-N 2.93Å; Q396-L445 VanDerWaalsContact O-N 3.14Å; R398-L445 HydrophobicContact CB-CD1 3.99Å; R398-L445 HydrophobicContact CG-CD1 4.11Å; Y400-L445 HydrophobicContact CE2-CD1 4.45Å; W422-L445 HydrophobicContact CB-CD2 4.44Å; W422-L445 HydrophobicContact CG-CD2 3.85Å; F443-L445 HydrophobicContact CB-CD1 4.17Å; F443-L445 HydrophobicContact CB-CD2 4.11Å; F443-L445 HydrophobicContact CB-CG 3.89Å; F443-L445 PolarHBondContact O-N 2.92Å; L445-E449 WeakPolarHBondContact CD2-OE2 3.35Å; L445-F452 HydrophobicContact CD1-CD1 3.91Å; L445-F452 HydrophobicContact CD1-CD2 4.01Å; L445-F452 HydrophobicContact CD1-CE1 3.92Å; L445-F452 HydrophobicContact CD1-CE2 4.02Å; L445-F452 HydrophobicContact CD1-CG 3.96Å; L445-F452 HydrophobicContact CD1-CZ 3.97Å; L445-F452 HydrophobicContact CD2-CB 4.38Å; L445-F452 HydrophobicContact CD2-CD2 3.61Å; L445-F452 HydrophobicContact CD2-CE2 4.06Å; L445-F452 HydrophobicContact CD2-CG 4Å; L445-F452 HydrophobicContact CG-CD2 4.49Å | ||
| 446 | G | 78.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | trans | -70.1 | 174.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H448 | G446-H448 PolarHBondContact O-N 2.65Å; G446-H448 VanDerWaalsContact O-N 3.08Å | ||
| 447 | D | 72.5 | Confident | 83.2 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 81% | 0.807 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -58.4 | -24.2 | -178.3 | -69.6 | -30.2 | 0 | 0 | 0 | 114.2 | Q396 | Q396-D447 PolarHBondContact NE2-OD1 2.85Š|
| 448 | H | 72.4 | Confident | 84 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 75% | 0.75 | 34% | 0.342 | S | S | * | . | trans | -147.5 | 98.1 | -176.7 | -153.7 | -48.2 | 0 | 0 | 0 | 112.2 | G446 | G446-H448 PolarHBondContact O-N 2.65Å; G446-H448 VanDerWaalsContact O-N 3.08Å | ||
| 449 | E | 78.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | trans | -127.3 | 83.9 | 176.9 | -69.2 | -161.5 | 164.4 | 0 | 0 | 111.8 | W422 L445 D451 F452 | W422-E449 PolarHBondContact NE1-OE2 3.32Å; L445-E449 WeakPolarHBondContact CD2-OE2 3.35Å; E449-D451 PolarHBondContact O-N 3.03Å; E449-F452 HydrophobicContact CB-CB 4.21Å; E449-F452 WeakPolarHBondContact O-CB 3.35Å; E449-F452 PolarHBondContact O-N 2.9Å; E449-F452 VanDerWaalsContact O-N 3.09Å | ||
| 450 | P | 75.9 | Confident | 84.2 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 47% | 0.468 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -24.7 | -177.7 | 27.1 | -32.6 | 0 | 0 | 0 | 112.9 | F452 E453 T454 | P450-F452 PolarHBondContact O-N 2.97Å; P450-E453 PolarHBondContact O-N 2.84Å; P450-T454 PolarHBondContact O-N 3.04Å; P450-T454 PolarHBondContact O-OG1 2.75Å |
| 451 | D | 84.7 | Confident | 84 | Confident | 117 Ų | 117 | 61 Ų | 61 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65 | -30.2 | 175.1 | -68.4 | -12.1 | 0 | 0 | 0 | 111.7 | W422 E449 T454 R455 | W422-D451 HydrophobicContact CZ2-CB 4.23Å; E449-D451 PolarHBondContact O-N 3.03Å; D451-T454 PolarHBondContact O-N 3.03Å; D451-R455 WeakPolarHBondContact O-CG 3.3Å; D451-R455 PolarHBondContact O-N 2.72Å |
| 452 | F | 85.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.2 | -49.9 | 177.6 | -176.2 | -95 | 0 | 0 | 0 | 111.1 | Y400 L418 W422 F443 L445 E449 P450 T454 R455 L456 | Y400-F452 HydrophobicContact CD2-CE1 4.21Å; Y400-F452 HydrophobicContact CD2-CZ 4.09Å; Y400-F452 HydrophobicContact CE1-CE1 4.39Å; Y400-F452 AromaticContact CE2-CE1 3.47Å; Y400-F452 HydrophobicContact CE2-CE1 3.47Å; Y400-F452 VanDerWaalsContact CE2-CE1 3.47Å; Y400-F452 AromaticContact CE2-CZ 3.73Å; Y400-F452 HydrophobicContact CE2-CZ 3.73Å; Y400-F452 AromaticContact CZ-CE1 3.58Å; L418-F452 HydrophobicContact CD2-CE2 4.37Å; W422-F452 AromaticContact CD2-CD2 3.62Å; W422-F452 HydrophobicContact CD2-CD2 3.62Å; W422-F452 HydrophobicContact CD2-CE2 4.29Å; W422-F452 AromaticContact CE2-CD2 3.72Å; W422-F452 AromaticContact CE3-CD2 3.77Å; W422-F452 HydrophobicContact CE3-CD2 3.77Å; W422-F452 HydrophobicContact CE3-CE2 4.24Å; W422-F452 HydrophobicContact CG-CD2 4.13Å; W422-F452 VanDerWaalsContact CH2-CA 3.49Å; W422-F452 HydrophobicContact CH2-CB 4.21Å; W422-F452 HydrophobicContact CH2-CD2 4.19Å; W422-F452 HydrophobicContact CZ2-CB 3.71Å; W422-F452 HydrophobicContact CZ2-CD2 4.02Å; W422-F452 HydrophobicContact CZ2-CG 4.37Å; W422-F452 HydrophobicContact CZ3-CD2 4.07Å; F443-F452 HydrophobicContact CB-CE2 4.25Å; F443-F452 HydrophobicContact CD1-CE2 4.24Å; F443-F452 AromaticContact CD2-CE2 3.88Å; F443-F452 HydrophobicContact CD2-CE2 3.88Å; F443-F452 AromaticContact CD2-CZ 3.73Å; F443-F452 HydrophobicContact CD2-CZ 3.73Å; F443-F452 HydrophobicContact CE2-CE2 4.2Å; F443-F452 AromaticContact CE2-CZ 3.98Å; F443-F452 HydrophobicContact CE2-CZ 3.98Å; F443-F452 AromaticContact CG-CE2 3.88Å; F443-F452 HydrophobicContact CG-CE2 3.88Å; F443-F452 HydrophobicContact CG-CZ 4.19Å; F443-F452 HydrophobicContact CZ-CE2 4.47Å; L445-F452 HydrophobicContact CD1-CD1 3.91Å; L445-F452 HydrophobicContact CD1-CD2 4.01Å; L445-F452 HydrophobicContact CD1-CE1 3.92Å; L445-F452 HydrophobicContact CD1-CE2 4.02Å; L445-F452 HydrophobicContact CD1-CG 3.96Å; L445-F452 HydrophobicContact CD1-CZ 3.97Å; L445-F452 HydrophobicContact CD2-CB 4.38Å; L445-F452 HydrophobicContact CD2-CD2 3.61Å; L445-F452 HydrophobicContact CD2-CE2 4.06Å; L445-F452 HydrophobicContact CD2-CG 4Å; L445-F452 HydrophobicContact CG-CD2 4.49Å; E449-F452 HydrophobicContact CB-CB 4.21Å; E449-F452 WeakPolarHBondContact O-CB 3.35Å; E449-F452 PolarHBondContact O-N 2.9Å; E449-F452 VanDerWaalsContact O-N 3.09Å; P450-F452 PolarHBondContact O-N 2.97Å; F452-T454 VanDerWaalsContact C-N 3.27Å; F452-T454 PolarHBondContact O-N 2.57Å; F452-R455 PolarHBondContact O-N 2.65Å; F452-L456 HydrophobicContact CE1-CD1 4.35Å; F452-L456 HydrophobicContact CE1-CD2 4.22Å; F452-L456 HydrophobicContact CZ-CD1 4.39Å; F452-L456 VanDerWaalsContact O-CB 3.28Å; F452-L456 WeakPolarHBondContact O-CB 3.43Å; F452-L456 PolarHBondContact O-N 2.77Å |
| 453 | E | 82.7 | Confident | 83.6 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 178.3 | -64.5 | -175.4 | 174 | 0 | 0 | 111.7 | P450 N457 | P450-E453 PolarHBondContact O-N 2.84Å; E453-N457 VanDerWaalsContact O-CG 3.31Å; E453-N457 PolarHBondContact O-N 2.88Å; E453-N457 VanDerWaalsContact O-N 3.08Å; E453-N457 PolarHBondContact O-ND2 3.4Å |
| 454 | T | 85.2 | Confident | 83.7 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | P450 D451 F452 N457 E458 | P450-T454 PolarHBondContact O-N 3.04Å; P450-T454 PolarHBondContact O-OG1 2.75Å; D451-T454 PolarHBondContact O-N 3.03Å; F452-T454 VanDerWaalsContact C-N 3.27Å; F452-T454 PolarHBondContact O-N 2.57Å; T454-N457 PolarHBondContact O-N 2.88Å; T454-E458 WeakPolarHBondContact O-CG 3.1Å; T454-E458 PolarHBondContact O-N 2.75Å |
| 455 | R | 85.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 178.5 | -68.2 | -58.6 | -170.1 | -179.5 | -1.2 | 113 | T417 L418 W422 D451 F452 N457 E458 L459 | T417-R455 HydrophobicContact CG2-CB 4.33Å; T417-R455 WeakPolarHBondContact CG2-O 3.37Å; L418-R455 HydrophobicContact CD2-CB 3.85Å; W422-R455 HydrophobicContact CH2-CB 3.83Å; W422-R455 HydrophobicContact CH2-CG 3.63Å; W422-R455 HydrophobicContact CZ3-CB 3.88Å; W422-R455 HydrophobicContact CZ3-CG 3.96Å; D451-R455 WeakPolarHBondContact O-CG 3.3Å; D451-R455 PolarHBondContact O-N 2.72Å; F452-R455 PolarHBondContact O-N 2.65Å; R455-N457 VanDerWaalsContact C-N 3.29Å; R455-N457 PolarHBondContact O-N 3.07Å; R455-E458 WeakPolarHBondContact CD-OE2 3.46Å; R455-E458 IonicContact CZ-OE2 4Å; R455-E458 IonicContact NE-OE2 2.67Å; R455-E458 IonicContact NH1-OE1 2.84Å; R455-E458 IonicContact NH1-OE2 3.82Å; R455-E458 PolarHBondContact NH1-OE2 3.36Å; R455-E458 PolarHBondContact O-N 2.66Å; R455-L459 PolarHBondContact O-N 2.97Å |
| 456 | L | 85.8 | Confident | 84.1 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 9% | 0.094 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 173.4 | -165.4 | 71.6 | 0 | 0 | 0 | 110.6 | Y400 F402 L418 F452 L459 | Y400-L456 HydrophobicContact CD1-CD2 4.45Å; Y400-L456 HydrophobicContact CE1-CD2 4.11Å; F402-L456 HydrophobicContact CE1-CD1 3.46Å; F402-L456 VanDerWaalsContact CE1-CD1 3.46Å; F402-L456 HydrophobicContact CZ-CD1 3.76Å; L418-L456 HydrophobicContact CD1-CD1 4.14Å; F452-L456 HydrophobicContact CE1-CD1 4.35Å; F452-L456 HydrophobicContact CE1-CD2 4.22Å; F452-L456 HydrophobicContact CZ-CD1 4.39Å; F452-L456 VanDerWaalsContact O-CB 3.28Å; F452-L456 WeakPolarHBondContact O-CB 3.43Å; F452-L456 PolarHBondContact O-N 2.77Å; L456-L459 WeakPolarHBondContact O-CB 3.17Å; L456-L459 PolarHBondContact O-N 3.3Å |
| 457 | N | 84.7 | Confident | 84.7 | Confident | 129 Ų | 129 | 75.2 Ų | 75.2 | 69% | 0.69 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.8 | -37.3 | 174.9 | -71.8 | -41.2 | 0 | 0 | 0 | 112.7 | E453 T454 R455 L459 G460 | E453-N457 VanDerWaalsContact O-CG 3.31Å; E453-N457 PolarHBondContact O-N 2.88Å; E453-N457 VanDerWaalsContact O-N 3.08Å; E453-N457 PolarHBondContact O-ND2 3.4Å; T454-N457 PolarHBondContact O-N 2.88Å; R455-N457 VanDerWaalsContact C-N 3.29Å; R455-N457 PolarHBondContact O-N 3.07Å; N457-L459 VanDerWaalsContact C-N 3.31Å; N457-L459 PolarHBondContact O-N 2.94Å; N457-G460 PolarHBondContact O-N 3.17Å |
| 458 | E | 86.1 | Confident | 85.5 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 175 | -72.6 | 178.7 | -179.6 | 0 | 0 | 113.4 | T454 R455 G460 | T454-E458 WeakPolarHBondContact O-CG 3.1Å; T454-E458 PolarHBondContact O-N 2.75Å; R455-E458 WeakPolarHBondContact CD-OE2 3.46Å; R455-E458 IonicContact CZ-OE2 4Å; R455-E458 IonicContact NE-OE2 2.67Å; R455-E458 IonicContact NH1-OE1 2.84Å; R455-E458 IonicContact NH1-OE2 3.82Å; R455-E458 PolarHBondContact NH1-OE2 3.36Å; R455-E458 PolarHBondContact O-N 2.66Å; E458-G460 PolarHBondContact O-N 3.43Å |
| 459 | L | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.3 | -178.9 | 63.1 | 0 | 0 | 0 | 110.5 | F402 R413 F414 T417 L418 R455 L456 N457 Y461 | F402-L459 HydrophobicContact CD1-CD2 4.19Å; F402-L459 HydrophobicContact CE1-CD2 4.05Å; R413-L459 HydrophobicContact CG-CD1 4.25Å; R413-L459 PolarHBondContact NH2-O 3.12Å; F414-L459 HydrophobicContact CB-CD1 4.31Å; F414-L459 HydrophobicContact CD2-CD2 3.66Å; F414-L459 HydrophobicContact CE2-CD2 4.32Å; T417-L459 HydrophobicContact CG2-CB 4.12Å; T417-L459 HydrophobicContact CG2-CD1 4.49Å; L418-L459 HydrophobicContact CD1-CD2 4Å; R455-L459 PolarHBondContact O-N 2.97Å; L456-L459 WeakPolarHBondContact O-CB 3.17Å; L456-L459 PolarHBondContact O-N 3.3Å; N457-L459 VanDerWaalsContact C-N 3.31Å; N457-L459 PolarHBondContact O-N 2.94Å; L459-Y461 VanDerWaalsContact C-N 3.26Å; L459-Y461 HydrophobicContact CD1-CD2 3.82Å; L459-Y461 HydrophobicContact CD1-CE1 4.41Å; L459-Y461 HydrophobicContact CD1-CE2 3.64Å; L459-Y461 HydrophobicContact CD1-CG 4.29Å; L459-Y461 HydrophobicContact CD2-CD2 3.65Å; L459-Y461 HydrophobicContact CD2-CE2 4.25Å; L459-Y461 HydrophobicContact CD2-CG 4.1Å; L459-Y461 HydrophobicContact CG-CD1 4.3Å; L459-Y461 HydrophobicContact CG-CD2 3.61Å; L459-Y461 HydrophobicContact CG-CE2 3.99Å; L459-Y461 HydrophobicContact CG-CG 3.77Å; L459-Y461 PolarHBondContact O-N 3.27Å |
| 460 | G | 84.7 | Confident | 87 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | trans | 67.1 | 24.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N457 E458 | N457-G460 PolarHBondContact O-N 3.17Å; E458-G460 PolarHBondContact O-N 3.43Å | ||
| 461 | Y | 87.7 | Confident | 87.7 | Confident | 20 Ų | 20 | 69 Ų | 69 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | trans | -97 | 148.3 | 171.1 | -62.5 | -11.4 | 0 | 0 | 0 | 109.2 | F404 P405 A410 R413 F414 L459 C463 | F404-Y461 AromaticContact CD1-CD2 3.44Å; F404-Y461 HydrophobicContact CD1-CD2 3.44Å; F404-Y461 VanDerWaalsContact CD1-CD2 3.44Å; F404-Y461 AromaticContact CD1-CE2 3.66Å; F404-Y461 HydrophobicContact CD1-CE2 3.66Å; F404-Y461 HydrophobicContact CD1-CG 4.46Å; F404-Y461 AromaticContact CE1-CD2 3.64Å; F404-Y461 HydrophobicContact CE1-CD2 3.64Å; F404-Y461 AromaticContact CE1-CE2 3.82Å; F404-Y461 HydrophobicContact CE1-CE2 3.82Å; F404-Y461 HydrophobicContact CG-CD2 4.28Å; F404-Y461 HydrophobicContact CG-CE2 4.11Å; F404-Y461 HydrophobicContact CZ-CE2 4.39Å; P405-Y461 HydrophobicContact CG-CD1 4.33Å; P405-Y461 HydrophobicContact CG-CE1 3.81Å; A410-Y461 VanDerWaalsContact CA-OH 3.29Å; A410-Y461 WeakPolarHBondContact CA-OH 3.3Å; A410-Y461 PolarHBondContact O-OH 3.39Å; R413-Y461 WeakPolarHBondContact CD-OH 3.5Å; F414-Y461 HydrophobicContact CB-CE2 4.27Å; L459-Y461 VanDerWaalsContact C-N 3.26Å; L459-Y461 HydrophobicContact CD1-CD2 3.82Å; L459-Y461 HydrophobicContact CD1-CE1 4.41Å; L459-Y461 HydrophobicContact CD1-CE2 3.64Å; L459-Y461 HydrophobicContact CD1-CG 4.29Å; L459-Y461 HydrophobicContact CD2-CD2 3.65Å; L459-Y461 HydrophobicContact CD2-CE2 4.25Å; L459-Y461 HydrophobicContact CD2-CG 4.1Å; L459-Y461 HydrophobicContact CG-CD1 4.3Å; L459-Y461 HydrophobicContact CG-CD2 3.61Å; L459-Y461 HydrophobicContact CG-CE2 3.99Å; L459-Y461 HydrophobicContact CG-CG 3.77Å; L459-Y461 PolarHBondContact O-N 3.27Å; Y461-C463 PolarHBondContact O-N 3.02Å | ||
| 462 | D | 86.4 | Confident | 87.9 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.4 | 172.6 | -69.9 | -37.8 | 0 | 0 | 0 | 108.9 | F402 E403 | F402-D462 CarbonylContact C-O 3.58Å; F402-D462 WeakPolarHBondContact CA-O 3.38Å; E403-D462 HydrophobicContact CB-CB 4.32Å; E403-D462 PolarHBondContact N-O 3.2Å |
| 463 | C | 90.1 | Very high | 88 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.1 | -179.5 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | S401 F402 Y461 | S401-C463 CarbonylContact O-C 3.55Å; S401-C463 WeakPolarHBondContact O-CA 3.5Å; S401-C463 WeakPolarHBondContact O-CB 3.33Å; F402-C463 HydrophobicContact CD1-CB 3.56Å; F402-C463 HydrophobicContact CE1-CB 3.71Å; F402-C463 HydrophobicContact CG-CB 4.27Å; F402-C463 HydrophobicContact CZ-CB 4.5Å; Y461-C463 PolarHBondContact O-N 3.02Å |
| 464 | H | 91 | Very high | 88.2 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137 | 175.3 | -58 | -75.3 | 0 | 0 | 0 | 110.6 | Y400 S401 E466 | Y400-H464 CarbonylContact C-O 3.57Å; Y400-H464 VanDerWaalsContact CA-O 3.29Å; Y400-H464 WeakPolarHBondContact CA-O 3.47Å; S401-H464 PolarHBondContact N-O 3.43Å; S401-H464 PolarHBondContact O-N 2.91Å; H464-E466 PolarHBondContact O-N 3.26Å |
| 465 | D | 91.1 | Very high | 88.3 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 112.9 | 172.9 | -172.3 | -22.9 | 0 | 0 | 0 | 109.5 | R398 Y400 T467 | R398-D465 IonicContact CZ-OD2 3.57Å; R398-D465 IonicContact NE-OD2 3.58Å; R398-D465 IonicContact NH2-OD2 2.74Å; R398-D465 PolarHBondContact NH2-OD2 2.99Å; Y400-D465 HydrophobicContact CD1-CB 4.21Å; Y400-D465 HydrophobicContact CE1-CB 3.87Å; D465-T467 WeakPolarHBondContact OD1-CB 3.36Å; D465-T467 PolarHBondContact OD1-N 3.39Å; D465-T467 PolarHBondContact OD1-OG1 3.09Å |
| 466 | E | 92 | Very high | 88.5 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | trans | -104.6 | 9.4 | -178.4 | -64.6 | -69.7 | 176 | 0 | 0 | 111.8 | L399 S401 H464 N468 N469 | L399-E466 HydrophobicContact CB-CB 4.39Å; L399-E466 HydrophobicContact CD2-CB 3.66Å; L399-E466 HydrophobicContact CG-CB 4.02Å; L399-E466 PolarHBondContact O-N 3.01Å; S401-E466 PolarHBondContact OG-OE1 3.03Å; H464-E466 PolarHBondContact O-N 3.26Å; E466-N468 PolarHBondContact O-N 3.21Å; E466-N468 VanDerWaalsContact O-N 3.1Å; E466-N469 HydrophobicContact CB-CB 4.28Å; E466-N469 WeakPolarHBondContact O-CB 3.09Å; E466-N469 PolarHBondContact O-N 3.46Å; E466-N469 PolarHBondContact OE2-ND2 2.74Å | ||
| 467 | T | 89.6 | Confident | 88.3 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30 | -175.4 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | R398 L399 D465 F472 | R398-T467 WeakPolarHBondContact CA-OG1 3.37Å; L399-T467 PolarHBondContact N-OG1 3.22Å; L399-T467 PolarHBondContact O-N 2.82Å; L399-T467 PolarHBondContact O-OG1 3.49Å; D465-T467 WeakPolarHBondContact OD1-CB 3.36Å; D465-T467 PolarHBondContact OD1-N 3.39Å; D465-T467 PolarHBondContact OD1-OG1 3.09Å; T467-F472 WeakPolarHBondContact O-CD1 3.4Å |
| 468 | N | 89.6 | Confident | 88 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.2 | 178.3 | -65.5 | -41.7 | 0 | 0 | 0 | 113.8 | E466 R473 | E466-N468 PolarHBondContact O-N 3.21Å; E466-N468 VanDerWaalsContact O-N 3.1Å; N468-R473 PolarHBondContact OD1-NH2 3.23Å |
| 469 | N | 90.7 | Very high | 88.1 | Confident | 57 Ų | 57 | 69 Ų | 69 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | trans | -64.8 | 128.5 | -179.7 | -169 | -52.9 | 0 | 0 | 0 | 110.6 | E466 A471 F472 R473 | E466-N469 HydrophobicContact CB-CB 4.28Å; E466-N469 WeakPolarHBondContact O-CB 3.09Å; E466-N469 PolarHBondContact O-N 3.46Å; E466-N469 PolarHBondContact OE2-ND2 2.74Å; N469-A471 PolarHBondContact O-N 2.58Å; N469-A471 WeakPolarHBondContact OD1-CB 3.4Å; N469-A471 PolarHBondContact OD1-N 2.89Å; N469-F472 HydrophobicContact CB-CB 4.35Å; N469-F472 PolarHBondContact O-N 3.1Å; N469-F472 VanDerWaalsContact O-N 3.17Å; N469-R473 PolarHBondContact O-N 2.67Å; N469-R473 VanDerWaalsContact O-N 3.12Å | ||
| 470 | P | 91.3 | Very high | 88.1 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 67% | 0.669 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.2 | -35 | 178.4 | -27.1 | 35 | 0 | 0 | 0 | 114 | F474 | P470-F474 WeakPolarHBondContact O-CB 3.44Å; P470-F474 PolarHBondContact O-N 3.33Å |
| 471 | A | 90.2 | Very high | 88.3 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | N469 F474 F475 | N469-A471 PolarHBondContact O-N 2.58Å; N469-A471 WeakPolarHBondContact OD1-CB 3.4Å; N469-A471 PolarHBondContact OD1-N 2.89Å; A471-F474 PolarHBondContact O-N 3.27Å; A471-F475 WeakPolarHBondContact O-CD2 3.3Å; A471-F475 PolarHBondContact O-N 3.34Å; A471-F475 VanDerWaalsContact O-N 3.07Å |
| 472 | F | 88.6 | Confident | 88.3 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 175.9 | 173 | -116.4 | 0 | 0 | 0 | 111.2 | E397 L399 T467 N469 F474 F475 L476 A477 | E397-F472 HydrophobicContact CG-CZ 4.04Å; E397-F472 VanDerWaalsContact OE1-CZ 3.3Å; E397-F472 WeakPolarHBondContact OE1-CZ 3.44Å; L399-F472 HydrophobicContact CB-CD1 4.36Å; L399-F472 HydrophobicContact CB-CD2 4.43Å; L399-F472 HydrophobicContact CB-CE1 4.28Å; L399-F472 HydrophobicContact CB-CE2 4.36Å; L399-F472 HydrophobicContact CB-CG 4.44Å; L399-F472 HydrophobicContact CB-CZ 4.29Å; L399-F472 HydrophobicContact CD1-CD2 4.27Å; L399-F472 HydrophobicContact CD1-CE2 4.24Å; L399-F472 HydrophobicContact CD2-CB 3.67Å; L399-F472 HydrophobicContact CD2-CD1 4.2Å; L399-F472 HydrophobicContact CD2-CD2 3.54Å; L399-F472 HydrophobicContact CD2-CE2 4.22Å; L399-F472 HydrophobicContact CD2-CG 3.54Å; L399-F472 HydrophobicContact CG-CD2 4.31Å; T467-F472 WeakPolarHBondContact O-CD1 3.4Å; N469-F472 HydrophobicContact CB-CB 4.35Å; N469-F472 PolarHBondContact O-N 3.1Å; N469-F472 VanDerWaalsContact O-N 3.17Å; F472-F474 VanDerWaalsContact C-N 3.27Å; F472-F474 PolarHBondContact O-N 2.89Å; F472-F475 PolarHBondContact O-N 3.47Å; F472-L476 HydrophobicContact CD2-CB 3.52Å; F472-L476 HydrophobicContact CD2-CD1 4.22Å; F472-L476 HydrophobicContact CD2-CG 4.48Å; F472-L476 HydrophobicContact CE2-CB 3.88Å; F472-L476 PolarHBondContact O-N 3.08Å; F472-A477 HydrophobicContact CD1-CB 4.27Å; F472-A477 HydrophobicContact CE1-CB 3.94Å; F472-A477 HydrophobicContact CE2-CB 4.43Å; F472-A477 HydrophobicContact CZ-CB 4.02Å; F472-A477 PolarHBondContact O-N 2.69Å |
| 473 | R | 87.1 | Confident | 88.5 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.2 | -35.3 | -180 | -70.4 | -177 | 174.5 | -172.9 | -1.7 | 113.4 | N468 N469 | N468-R473 PolarHBondContact OD1-NH2 3.23Å; N469-R473 PolarHBondContact O-N 2.67Å; N469-R473 VanDerWaalsContact O-N 3.12Å |
| 474 | F | 87.8 | Confident | 88.3 | Confident | 141 Ų | 141 | 76.7 Ų | 76.7 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79.4 | -39.3 | -177.7 | -161.8 | -86.1 | 0 | 0 | 0 | 112.6 | R390 P470 A471 F472 | R390-F474 PolarHBondContact NH2-O 3.14Å; P470-F474 WeakPolarHBondContact O-CB 3.44Å; P470-F474 PolarHBondContact O-N 3.33Å; A471-F474 PolarHBondContact O-N 3.27Å; F472-F474 VanDerWaalsContact C-N 3.27Å; F472-F474 PolarHBondContact O-N 2.89Å |
| 475 | F | 88 | Confident | 88.2 | Confident | 137 Ų | 137 | 74.3 Ų | 74.3 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -112.2 | -26 | -168.9 | -64.8 | -72 | 0 | 0 | 0 | 115.6 | R390 A471 F472 | R390-F475 WeakPolarHBondContact CG-O 3.32Å; A471-F475 WeakPolarHBondContact O-CD2 3.3Å; A471-F475 PolarHBondContact O-N 3.34Å; A471-F475 VanDerWaalsContact O-N 3.07Å; F472-F475 PolarHBondContact O-N 3.47Å |
| 476 | L | 88 | Confident | 87.9 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -31.3 | -165.3 | -61.9 | 177.2 | 0 | 0 | 0 | 113.7 | R334 L426 F472 | R334-L476 PolarHBondContact NH2-O 3.01Å; L426-L476 HydrophobicContact CD1-CD1 4.18Å; F472-L476 HydrophobicContact CD2-CB 3.52Å; F472-L476 HydrophobicContact CD2-CD1 4.22Å; F472-L476 HydrophobicContact CD2-CG 4.48Å; F472-L476 HydrophobicContact CE2-CB 3.88Å; F472-L476 PolarHBondContact O-N 3.08Å |
| 477 | A | 83.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | trans | -63.8 | 134.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R390 F472 | R390-A477 VanDerWaalsContact CD-O 3.3Å; R390-A477 WeakPolarHBondContact CD-O 3.46Å; R390-A477 PolarHBondContact NE-O 2.71Å; F472-A477 HydrophobicContact CD1-CB 4.27Å; F472-A477 HydrophobicContact CE1-CB 3.94Å; F472-A477 HydrophobicContact CE2-CB 4.43Å; F472-A477 HydrophobicContact CZ-CB 4.02Å; F472-A477 PolarHBondContact O-N 2.69Å | ||
| 478 | G | 76.9 | Confident | 87.4 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | trans | -98 | 0 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P391 | P391-G478 VanDerWaalsContact CD-CA 3.49Š|
Retrieved 478 of 478 residues in 128.4 ms
(Link to these results)