| 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 | 83.7 | Confident | 93.1 | Very high | 182 Ų | 182 | 62.5 Ų | 62.5 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | 0 | 142.3 | 0 | -78.5 | -153.8 | -153.6 | 0 | 0 | 108.5 | R256 | M1-R256 CarbonylContact C-O 3.56Å; M1-R256 VanDerWaalsContact CA-O 3.29Å; M1-R256 WeakPolarHBondContact CA-O 3.36Å; M1-R256 HydrophobicContact SD-CG 4.49Å | |||
| 2 | A | 89.8 | Confident | 93.4 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 144.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R256 A259 S260 I262 | A2-R256 HydrophobicContact CB-CG 4.34Å; A2-R256 PolarHBondContact N-O 2.84Å; A2-A259 VanDerWaalsContact CA-O 3.26Å; A2-A259 WeakPolarHBondContact CA-O 3.37Å; A2-A259 HydrophobicContact CB-CB 3.99Å; A2-A259 WeakPolarHBondContact CB-O 3.48Å; A2-A259 PolarHBondContact N-O 3.01Å; A2-S260 WeakPolarHBondContact CA-O 3.22Å; A2-I262 HydrophobicContact CB-CB 4.27Å; A2-I262 HydrophobicContact CB-CG2 3.67Å |
| 3 | T | 94.7 | Very high | 93.6 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.3 | 167 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | S260 F261 I262 | T3-S260 PolarHBondContact N-O 3.45Å; T3-F261 HydrophobicContact CG2-CD1 4.04Å; T3-F261 HydrophobicContact CG2-CE1 3.85Å; T3-F261 VanDerWaalsContact O-CA 3.24Å; T3-F261 WeakPolarHBondContact O-CA 3.14Å; T3-I262 PolarHBondContact O-N 3.39Å |
| 4 | L | 94.4 | Very high | 93.8 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.3 | 178.3 | -60 | -176.8 | 0 | 0 | 0 | 110.6 | D6 F252 I262 | L4-D6 PolarHBondContact O-N 2.86Å; L4-F252 HydrophobicContact CD2-CE2 4.16Å; L4-F252 HydrophobicContact CD2-CZ 3.68Å; L4-I262 WeakPolarHBondContact CA-O 3.3Å; L4-I262 HydrophobicContact CD2-CG2 3.76Å |
| 5 | I | 93.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -85.3 | 97.7 | 168.9 | -45.1 | 176 | 0 | 0 | 0 | 107.4 | G7 L153 I157 V230 I232 F261 I262 T263 P264 | I5-G7 PolarHBondContact O-N 2.8Å; I5-L153 HydrophobicContact CB-CD2 4.49Å; I5-L153 HydrophobicContact CG2-CB 4.1Å; I5-L153 HydrophobicContact CG2-CD2 3.48Å; I5-L153 VanDerWaalsContact CG2-CD2 3.48Å; I5-L153 HydrophobicContact CG2-CG 4.37Å; I5-I157 HydrophobicContact CD1-CD1 3.92Å; I5-I157 HydrophobicContact CG1-CD1 4.45Å; I5-I157 HydrophobicContact CG1-CG2 4.22Å; I5-I157 HydrophobicContact CG2-CG2 4.11Å; I5-V230 HydrophobicContact CD1-CG1 4.11Å; I5-I232 HydrophobicContact CD1-CD1 3.65Å; I5-F261 HydrophobicContact CD1-CB 3.91Å; I5-F261 HydrophobicContact CG1-CB 3.85Å; I5-F261 HydrophobicContact CG1-CD1 4.28Å; I5-I262 PolarHBondContact N-O 3.44Å; I5-T263 HydrophobicContact CB-CG2 4.1Å; I5-T263 HydrophobicContact CD1-CG2 4.19Å; I5-P264 VanDerWaalsContact O-CD 3.24Å; I5-P264 WeakPolarHBondContact O-CD 3.26Å | ||
| 6 | D | 92.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | trans | -74.8 | 94.6 | -177.7 | -168 | -20.2 | 0 | 0 | 0 | 111.4 | L4 K8 E9 L10 | L4-D6 PolarHBondContact O-N 2.86Å; D6-K8 VanDerWaalsContact C-N 3.28Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CA 3.48Å; D6-K8 WeakPolarHBondContact OD1-CB 3.11Å; D6-K8 PolarHBondContact OD1-N 3.12Å; D6-E9 HydrophobicContact CB-CB 3.97Å; D6-E9 PolarHBondContact O-N 2.58Å; D6-E9 PolarHBondContact OD1-N 3.14Å; D6-L10 PolarHBondContact O-N 3.16Å; D6-L10 VanDerWaalsContact O-N 3.11Å | ||
| 7 | G | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -22.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I5 A11 G267 G268 | I5-G7 PolarHBondContact O-N 2.8Å; G7-A11 WeakPolarHBondContact O-CB 3.43Å; G7-A11 PolarHBondContact O-N 3.23Å; G7-G267 CarbonylContact C-O 3.58Å; G7-G267 WeakPolarHBondContact CA-O 3.4Å; G7-G267 PolarHBondContact N-O 2.6Å; G7-G268 WeakPolarHBondContact CA-O 3.22Å |
| 8 | K | 94.3 | Very high | 94.6 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.7 | -45.8 | 174.5 | -67.2 | 177 | 180 | 171.4 | 0 | 110.3 | D6 A11 Q12 G267 P271 | D6-K8 VanDerWaalsContact C-N 3.28Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CA 3.48Å; D6-K8 WeakPolarHBondContact OD1-CB 3.11Å; D6-K8 PolarHBondContact OD1-N 3.12Å; K8-A11 PolarHBondContact O-N 3.34Å; K8-Q12 WeakPolarHBondContact O-CB 3.25Å; K8-Q12 PolarHBondContact O-N 3.22Å; K8-G267 PolarHBondContact N-O 2.82Å; K8-G267 VanDerWaalsContact N-O 3.17Å; K8-P271 HydrophobicContact CG-CB 4.35Å; K8-P271 HydrophobicContact CG-CG 3.72Å |
| 9 | E | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 177.1 | -173 | -177.4 | -174.7 | 0 | 0 | 110.6 | D6 Q12 R13 | D6-E9 HydrophobicContact CB-CB 3.97Å; D6-E9 PolarHBondContact O-N 2.58Å; D6-E9 PolarHBondContact OD1-N 3.14Å; E9-Q12 PolarHBondContact O-N 3.31Å; E9-R13 WeakPolarHBondContact O-CG 3.41Å; E9-R13 PolarHBondContact O-N 3.32Å; E9-R13 IonicContact OE1-CZ 3.95Å; E9-R13 IonicContact OE1-NE 3.74Å; E9-R13 PolarHBondContact OE1-NE 3.41Å; E9-R13 IonicContact OE1-NH2 2.7Å; E9-R13 PolarHBondContact OE1-NH2 3.09Å |
| 10 | L | 95.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.4 | -176.4 | 60.7 | 0 | 0 | 0 | 112 | D6 Q12 R13 L14 L153 M272 | D6-L10 PolarHBondContact O-N 3.16Å; D6-L10 VanDerWaalsContact O-N 3.11Å; L10-Q12 VanDerWaalsContact C-N 3.28Å; L10-Q12 PolarHBondContact O-N 3.23Å; L10-R13 PolarHBondContact O-N 2.77Å; L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.41Å; L10-L153 HydrophobicContact CD2-CD2 3.91Å; L10-L153 HydrophobicContact CD2-CG 4.32Å; L10-M272 HydrophobicContact CB-SD 3.86Å; L10-M272 HydrophobicContact CD2-CE 3.57Å; L10-M272 HydrophobicContact CD2-SD 3.74Å; L10-M272 HydrophobicContact CG-CE 3.87Å; L10-M272 HydrophobicContact CG-SD 3.67Å |
| 11 | A | 96.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G7 K8 L14 K15 P271 M272 A275 | G7-A11 WeakPolarHBondContact O-CB 3.43Å; G7-A11 PolarHBondContact O-N 3.23Å; K8-A11 PolarHBondContact O-N 3.34Å; A11-L14 PolarHBondContact O-N 3.15Å; A11-K15 WeakPolarHBondContact O-CB 3.32Å; A11-K15 WeakPolarHBondContact O-CG 3.39Å; A11-K15 PolarHBondContact O-N 2.99Å; A11-P271 HydrophobicContact CB-CB 3.82Å; A11-M272 HydrophobicContact CB-SD 3.95Å; A11-A275 HydrophobicContact CB-CB 3.98Å |
| 12 | Q | 96.9 | Very high | 95.5 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176 | -169.4 | 62.1 | 47.6 | 0 | 0 | 112 | K8 E9 L10 L14 K15 N16 E60 | K8-Q12 WeakPolarHBondContact O-CB 3.25Å; K8-Q12 PolarHBondContact O-N 3.22Å; E9-Q12 PolarHBondContact O-N 3.31Å; L10-Q12 VanDerWaalsContact C-N 3.28Å; L10-Q12 PolarHBondContact O-N 3.23Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.92Å; Q12-K15 PolarHBondContact O-N 2.93Å; Q12-N16 PolarHBondContact NE2-OD1 2.94Å; Q12-N16 PolarHBondContact O-N 3.22Å; Q12-N16 PolarHBondContact O-OD1 2.83Å; Q12-E60 PolarHBondContact NE2-OE1 3.07Å; Q12-E60 PolarHBondContact OE1-OE1 3.43Å |
| 13 | R | 96.2 | Very high | 95.8 | Very high | 154 Ų | 154 | 60.1 Ų | 60.1 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 175.3 | -70.3 | 176.9 | -175.7 | -173.5 | 1.1 | 111.4 | E9 L10 N16 K17 | E9-R13 WeakPolarHBondContact O-CG 3.41Å; E9-R13 PolarHBondContact O-N 3.32Å; E9-R13 IonicContact OE1-CZ 3.95Å; E9-R13 IonicContact OE1-NE 3.74Å; E9-R13 PolarHBondContact OE1-NE 3.41Å; E9-R13 IonicContact OE1-NH2 2.7Å; E9-R13 PolarHBondContact OE1-NH2 3.09Å; L10-R13 PolarHBondContact O-N 2.77Å; R13-N16 PolarHBondContact O-N 3.2Å; R13-K17 PolarHBondContact O-N 2.97Å |
| 14 | L | 96.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177 | -74 | 169.4 | 0 | 0 | 0 | 112.3 | L10 A11 Q12 N16 K17 L18 M272 A275 M276 | L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.41Å; A11-L14 PolarHBondContact O-N 3.15Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.92Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.02Å; L14-K17 WeakPolarHBondContact O-CB 3.47Å; L14-K17 PolarHBondContact O-N 3.19Å; L14-K17 VanDerWaalsContact O-N 3.12Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.07Å; L14-M272 HydrophobicContact CD1-CE 3.46Å; L14-M272 VanDerWaalsContact CD1-CE 3.46Å; L14-M272 HydrophobicContact CD1-SD 4.1Å; L14-A275 HydrophobicContact CB-CB 4.47Å; L14-A275 HydrophobicContact CD1-CB 4.48Å; L14-M276 HydrophobicContact CD1-CE 3.5Å; L14-M276 VanDerWaalsContact CD1-CE 3.5Å |
| 15 | K | 97.6 | Very high | 95.6 | Very high | 25 Ų | 25 | 58 Ų | 58 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 173.7 | -77.8 | -172.1 | -57 | 162.7 | 0 | 112.1 | A11 Q12 K17 L18 K19 A57 E60 I61 L278 | A11-K15 WeakPolarHBondContact O-CB 3.32Å; A11-K15 WeakPolarHBondContact O-CG 3.39Å; A11-K15 PolarHBondContact O-N 2.99Å; Q12-K15 PolarHBondContact O-N 2.93Å; K15-K17 VanDerWaalsContact C-N 3.33Å; K15-K17 PolarHBondContact O-N 3.12Å; K15-L18 WeakPolarHBondContact O-CB 3.47Å; K15-L18 PolarHBondContact O-N 2.84Å; K15-K19 WeakPolarHBondContact O-CB 3.26Å; K15-K19 PolarHBondContact O-N 3.49Å; K15-A57 HydrophobicContact CD-CB 4.24Å; K15-E60 VanDerWaalsContact NZ-CD 3.33Å; K15-E60 IonicContact NZ-OE1 3.07Å; K15-E60 PolarHBondContact NZ-OE1 3.46Å; K15-E60 IonicContact NZ-OE2 3.11Å; K15-E60 PolarHBondContact NZ-OE2 3.16Å; K15-I61 HydrophobicContact CB-CG2 3.61Å; K15-I61 HydrophobicContact CD-CG2 4.37Å; K15-I61 HydrophobicContact CG-CG2 3.99Å; K15-I61 VanDerWaalsContact O-CG2 3.3Å; K15-I61 WeakPolarHBondContact O-CG2 3.36Å; K15-L278 HydrophobicContact CG-CD1 4.46Å |
| 16 | N | 97.6 | Very high | 95.6 | Very high | 89 Ų | 89 | 60.9 Ų | 60.9 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -67.2 | -9.1 | 0 | 0 | 0 | 111.5 | Q12 R13 L14 K19 A20 | Q12-N16 PolarHBondContact NE2-OD1 2.94Å; Q12-N16 PolarHBondContact O-N 3.22Å; Q12-N16 PolarHBondContact O-OD1 2.83Å; R13-N16 PolarHBondContact O-N 3.2Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.02Å; N16-K19 PolarHBondContact O-N 3.36Å; N16-A20 PolarHBondContact O-N 3.26Å |
| 17 | K | 97.3 | Very high | 95.4 | Very high | 129 Ų | 129 | 67.1 Ų | 67.1 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 174.6 | -174.8 | -178.1 | 179.2 | -176.2 | 0 | 111.8 | R13 L14 K15 A20 R21 | R13-K17 PolarHBondContact O-N 2.97Å; L14-K17 WeakPolarHBondContact O-CB 3.47Å; L14-K17 PolarHBondContact O-N 3.19Å; L14-K17 VanDerWaalsContact O-N 3.12Å; K15-K17 VanDerWaalsContact C-N 3.33Å; K15-K17 PolarHBondContact O-N 3.12Å; K17-A20 PolarHBondContact O-N 2.84Å; K17-R21 WeakPolarHBondContact O-CG 3.48Å; K17-R21 PolarHBondContact O-N 2.89Å |
| 18 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.3 | -72.4 | 177.5 | 0 | 0 | 0 | 112 | L14 K15 A20 R21 I22 I61 L278 Q279 V282 | L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.07Å; K15-L18 WeakPolarHBondContact O-CB 3.47Å; K15-L18 PolarHBondContact O-N 2.84Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.48Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 2.86Å; L18-R21 VanDerWaalsContact O-N 3.15Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.38Å; L18-I61 HydrophobicContact CB-CD1 4.03Å; L18-I61 HydrophobicContact CD1-CD1 4.04Å; L18-L278 HydrophobicContact CD1-CB 3.95Å; L18-Q279 HydrophobicContact CD1-CB 4.23Å; L18-Q279 HydrophobicContact CD2-CB 4.36Å; L18-Q279 VanDerWaalsContact CD2-CD 3.46Å; L18-Q279 VanDerWaalsContact CD2-NE2 3.33Å; L18-Q279 VanDerWaalsContact CD2-OE1 3.26Å; L18-V282 HydrophobicContact CD2-CB 4.13Å; L18-V282 HydrophobicContact CD2-CG1 4.22Å; L18-V282 HydrophobicContact CD2-CG2 4.23Å |
| 19 | K | 97.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 68.8 Ų | 68.8 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 175.3 | -177.2 | 175.6 | 179.3 | 170 | 0 | 111.3 | K15 N16 R21 I22 E23 I61 | K15-K19 WeakPolarHBondContact O-CB 3.26Å; K15-K19 PolarHBondContact O-N 3.49Å; N16-K19 PolarHBondContact O-N 3.36Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 3.36Å; K19-I22 PolarHBondContact O-N 2.99Å; K19-E23 WeakPolarHBondContact CE-OE1 3.16Å; K19-E23 WeakPolarHBondContact O-CG 3.17Å; K19-E23 PolarHBondContact O-N 3.03Å; K19-I61 HydrophobicContact CB-CB 4.16Å; K19-I61 HydrophobicContact CB-CG2 4.36Å |
| 20 | A | 96.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N16 K17 L18 E23 I24 | N16-A20 PolarHBondContact O-N 3.26Å; K17-A20 PolarHBondContact O-N 2.84Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.48Å; A20-E23 PolarHBondContact O-N 3.5Å; A20-I24 WeakPolarHBondContact O-CD1 3.39Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 3.36Å |
| 21 | R | 95.5 | Very high | 93.3 | Very high | 60 Ų | 60 | 73.8 Ų | 73.8 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 174 | -77.5 | 173.7 | 63.2 | 178.6 | 3 | 112.1 | K17 L18 K19 E23 I24 V25 N283 E286 | K17-R21 WeakPolarHBondContact O-CG 3.48Å; K17-R21 PolarHBondContact O-N 2.89Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 2.86Å; L18-R21 VanDerWaalsContact O-N 3.15Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 3.36Å; R21-E23 VanDerWaalsContact C-N 3.31Å; R21-E23 PolarHBondContact O-N 3.45Å; R21-I24 WeakPolarHBondContact O-CB 3.22Å; R21-I24 PolarHBondContact O-N 3.06Å; R21-I24 VanDerWaalsContact O-N 3.13Å; R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 2.95Å; R21-N283 PolarHBondContact NH2-OD1 3.35Å; R21-E286 IonicContact CZ-OE1 2.73Å; R21-E286 IonicContact CZ-OE2 3.95Å; R21-E286 IonicContact NE-OE1 2.84Å; R21-E286 PolarHBondContact NE-OE1 3.2Å; R21-E286 IonicContact NE-OE2 3.22Å; R21-E286 VanDerWaalsContact NH2-CD 3.32Å; R21-E286 IonicContact NH2-OE1 3.54Å; R21-E286 PolarHBondContact NH2-OE1 2.77Å; R21-E286 IonicContact NH2-OE2 2.79Å; R21-E286 PolarHBondContact NH2-OE2 2.89Å |
| 22 | I | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 176.6 | -67.6 | 162.5 | 0 | 0 | 0 | 110 | L18 K19 I24 V25 Q26 F32 P34 I61 V63 V282 | L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.38Å; K19-I22 PolarHBondContact O-N 2.99Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.93Å; I22-V25 PolarHBondContact O-N 3.24Å; I22-Q26 HydrophobicContact CG2-CG 4.27Å; I22-Q26 WeakPolarHBondContact O-CB 3.47Å; I22-Q26 VanDerWaalsContact O-CG 3.29Å; I22-Q26 WeakPolarHBondContact O-CG 3.32Å; I22-Q26 PolarHBondContact O-N 2.95Å; I22-F32 HydrophobicContact CG1-CE1 4.5Å; I22-F32 HydrophobicContact CG2-CD1 4.39Å; I22-F32 HydrophobicContact CG2-CE1 4.44Å; I22-P34 HydrophobicContact CD1-CG 4.19Å; I22-P34 HydrophobicContact CG1-CG 4.09Å; I22-I61 HydrophobicContact CD1-CD1 4.36Å; I22-I61 WeakPolarHBondContact CD1-O 3.32Å; I22-V63 HydrophobicContact CD1-CG2 4.15Å; I22-V282 HydrophobicContact CD1-CG2 3.77Å; I22-V282 HydrophobicContact CG1-CG1 4.2Å; I22-V282 HydrophobicContact CG1-CG2 4.08Å |
| 23 | E | 95.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 77.3 Ų | 77.3 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.3 | -34.9 | 178 | -72.2 | 171.5 | -176.8 | 0 | 0 | 112.6 | K19 A20 R21 R27 | K19-E23 WeakPolarHBondContact CE-OE1 3.16Å; K19-E23 WeakPolarHBondContact O-CG 3.17Å; K19-E23 PolarHBondContact O-N 3.03Å; A20-E23 PolarHBondContact O-N 3.5Å; R21-E23 VanDerWaalsContact C-N 3.31Å; R21-E23 PolarHBondContact O-N 3.45Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 2.87Å |
| 24 | I | 94.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 70 Ų | 70 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 174.7 | -72.2 | 162.4 | 0 | 0 | 0 | 110.6 | A20 R21 I22 Q26 R27 | A20-I24 WeakPolarHBondContact O-CD1 3.39Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 3.36Å; R21-I24 WeakPolarHBondContact O-CB 3.22Å; R21-I24 PolarHBondContact O-N 3.06Å; R21-I24 VanDerWaalsContact O-N 3.13Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.93Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 2.63Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 PolarHBondContact O-N 3.24Å; I24-R27 VanDerWaalsContact O-N 3.15Å |
| 25 | V | 90.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -36 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | R21 I22 R27 S28 H29 F32 E286 V289 | R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 2.95Å; I22-V25 PolarHBondContact O-N 3.24Å; V25-R27 PolarHBondContact O-N 3.37Å; V25-S28 PolarHBondContact O-N 3.16Å; V25-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-OG 2.83Å; V25-S28 VanDerWaalsContact O-OG 3.07Å; V25-H29 PolarHBondContact O-N 3.23Å; V25-F32 HydrophobicContact CB-CD1 3.64Å; V25-F32 HydrophobicContact CB-CE1 3.79Å; V25-F32 HydrophobicContact CB-CG 4.36Å; V25-F32 HydrophobicContact CG1-CB 4.15Å; V25-F32 HydrophobicContact CG1-CD1 3.39Å; V25-F32 HydrophobicContact CG1-CD2 4.15Å; V25-F32 HydrophobicContact CG1-CE1 3.68Å; V25-F32 HydrophobicContact CG1-CE2 4.38Å; V25-F32 HydrophobicContact CG1-CG 3.63Å; V25-F32 HydrophobicContact CG1-CZ 4.16Å; V25-F32 HydrophobicContact CG2-CE1 4.29Å; V25-E286 HydrophobicContact CG2-CG 4.25Å; V25-V289 HydrophobicContact CG1-CG1 4.17Å |
| 26 | Q | 92.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -23.4 | 175.9 | -78.3 | 175.1 | -16.8 | 0 | 0 | 113.9 | I22 I24 S28 H29 P30 F32 | I22-Q26 HydrophobicContact CG2-CG 4.27Å; I22-Q26 WeakPolarHBondContact O-CB 3.47Å; I22-Q26 VanDerWaalsContact O-CG 3.29Å; I22-Q26 WeakPolarHBondContact O-CG 3.32Å; I22-Q26 PolarHBondContact O-N 2.95Å; I24-Q26 VanDerWaalsContact C-N 3.28Å; I24-Q26 PolarHBondContact O-N 2.63Å; Q26-S28 VanDerWaalsContact C-N 3.35Å; Q26-H29 WeakPolarHBondContact CA-O 3.46Å; Q26-H29 CarbonylContact O-C 3.49Å; Q26-P30 WeakPolarHBondContact O-CA 3.3Å; Q26-F32 HydrophobicContact CG-CB 4.23Å; Q26-F32 HydrophobicContact CG-CD1 4.34Å; Q26-F32 WeakPolarHBondContact CG-O 3.19Å; Q26-F32 PolarHBondContact NE2-O 3.12Å |
| 27 | R | 90.2 | Very high | 92.9 | Very high | 204 Ų | 204 | 63.7 Ų | 63.7 | 77% | 0.77 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.8 | -36.5 | 174.7 | -66.8 | 170.5 | -173.3 | -175.9 | 1.1 | 112.2 | E23 I24 V25 | E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 2.87Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 PolarHBondContact O-N 3.24Å; I24-R27 VanDerWaalsContact O-N 3.15Å; V25-R27 PolarHBondContact O-N 3.37Å |
| 28 | S | 82.1 | Confident | 93 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -90.7 | -27.7 | 174.9 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | V25 Q26 | V25-S28 PolarHBondContact O-N 3.16Å; V25-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-OG 2.83Å; V25-S28 VanDerWaalsContact O-OG 3.07Å; Q26-S28 VanDerWaalsContact C-N 3.35Å |
| 29 | H | 84 | Confident | 93 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 38% | 0.384 | 28% | 0.283 | S | S | . | . | trans | -130.4 | 83.8 | -178.6 | -56.6 | -84.6 | 0 | 0 | 0 | 110.6 | V25 Q26 N31 F32 V289 | V25-H29 PolarHBondContact O-N 3.23Å; Q26-H29 WeakPolarHBondContact CA-O 3.46Å; Q26-H29 CarbonylContact O-C 3.49Å; H29-N31 PolarHBondContact O-N 2.73Å; H29-F32 HydrophobicContact CB-CB 3.86Å; H29-F32 WeakPolarHBondContact O-CB 3.38Å; H29-F32 PolarHBondContact O-N 3.03Å; H29-V289 WeakPolarHBondContact CD2-CG1 3.17Å; H29-V289 VanDerWaalsContact NE2-CG1 3.31Å; H29-V289 WeakPolarHBondContact NE2-CG1 3.41Å | ||
| 30 | P | 84.4 | Confident | 92.9 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 67% | 0.669 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.5 | -174.2 | -28.5 | 36 | 0 | 0 | 0 | 115.3 | Q26 F32 | Q26-P30 WeakPolarHBondContact O-CA 3.3Å; P30-F32 VanDerWaalsContact C-N 3.33Å |
| 31 | N | 83.6 | Confident | 92.9 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 65% | 0.652 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.6 | 178 | -63.6 | -21.5 | 0 | 0 | 0 | 113.2 | H29 R33 H357 | H29-N31 PolarHBondContact O-N 2.73Å; N31-R33 PolarHBondContact O-N 2.79Å; N31-R33 VanDerWaalsContact O-N 3.11Å; N31-H357 WeakPolarHBondContact ND2-CB 3.48Å |
| 32 | F | 89.2 | Confident | 92.7 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | trans | -65.2 | 113.6 | -179.8 | 179.5 | -113.9 | 0 | 0 | 0 | 110.5 | I22 V25 Q26 H29 P30 P34 A285 E286 V289 | I22-F32 HydrophobicContact CG1-CE1 4.5Å; I22-F32 HydrophobicContact CG2-CD1 4.39Å; I22-F32 HydrophobicContact CG2-CE1 4.44Å; V25-F32 HydrophobicContact CB-CD1 3.64Å; V25-F32 HydrophobicContact CB-CE1 3.79Å; V25-F32 HydrophobicContact CB-CG 4.36Å; V25-F32 HydrophobicContact CG1-CB 4.15Å; V25-F32 HydrophobicContact CG1-CD1 3.39Å; V25-F32 HydrophobicContact CG1-CD2 4.15Å; V25-F32 HydrophobicContact CG1-CE1 3.68Å; V25-F32 HydrophobicContact CG1-CE2 4.38Å; V25-F32 HydrophobicContact CG1-CG 3.63Å; V25-F32 HydrophobicContact CG1-CZ 4.16Å; V25-F32 HydrophobicContact CG2-CE1 4.29Å; Q26-F32 HydrophobicContact CG-CB 4.23Å; Q26-F32 HydrophobicContact CG-CD1 4.34Å; Q26-F32 WeakPolarHBondContact CG-O 3.19Å; Q26-F32 PolarHBondContact NE2-O 3.12Å; H29-F32 HydrophobicContact CB-CB 3.86Å; H29-F32 WeakPolarHBondContact O-CB 3.38Å; H29-F32 PolarHBondContact O-N 3.03Å; P30-F32 VanDerWaalsContact C-N 3.33Å; F32-P34 HydrophobicContact CE1-CG 3.9Å; F32-P34 HydrophobicContact CE2-CG 4.47Å; F32-P34 HydrophobicContact CZ-CG 3.81Å; F32-A285 HydrophobicContact CE2-CB 3.67Å; F32-A285 WeakPolarHBondContact CE2-O 3.36Å; F32-A285 HydrophobicContact CZ-CB 3.77Å; F32-E286 HydrophobicContact CE1-CG 4.5Å; F32-E286 HydrophobicContact CZ-CG 3.96Å; F32-V289 HydrophobicContact CD2-CG2 3.35Å; F32-V289 HydrophobicContact CE2-CG2 3.51Å; F32-V289 HydrophobicContact CG-CG2 4.34Å | ||
| 33 | R | 92.3 | Very high | 92.4 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | trans | -142.8 | 105.4 | 175.7 | -168.2 | 174.9 | -173.9 | -167.2 | -3.3 | 108.6 | N31 G35 H64 H93 | N31-R33 PolarHBondContact O-N 2.79Å; N31-R33 VanDerWaalsContact O-N 3.11Å; R33-G35 PolarHBondContact O-N 2.89Å; R33-H64 HydrophobicContact CG-CB 4.1Å; R33-H93 PolarHBondContact O-CE1 3.09Å | ||
| 34 | P | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -57.3 | 137.9 | 174.5 | -20.4 | 29.9 | 0 | 0 | 0 | 110 | I22 F32 V63 H64 T281 V282 A285 | I22-P34 HydrophobicContact CD1-CG 4.19Å; I22-P34 HydrophobicContact CG1-CG 4.09Å; F32-P34 HydrophobicContact CE1-CG 3.9Å; F32-P34 HydrophobicContact CE2-CG 4.47Å; F32-P34 HydrophobicContact CZ-CG 3.81Å; P34-V63 HydrophobicContact CB-CG1 4.48Å; P34-V63 HydrophobicContact CB-CG2 4.11Å; P34-V63 HydrophobicContact CG-CG2 4.49Å; P34-V63 CarbonylContact O-C 3.47Å; P34-V63 WeakPolarHBondContact O-CA 3.3Å; P34-H64 PolarHBondContact O-N 3.21Å; P34-T281 HydrophobicContact CB-CG2 4.33Å; P34-V282 HydrophobicContact CG-CG2 4.27Å; P34-A285 HydrophobicContact CB-CB 3.61Å; P34-A285 HydrophobicContact CG-CB 3.87Å | ||
| 35 | G | 97.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R33 H64 S91 H93 G94 | R33-G35 PolarHBondContact O-N 2.89Å; G35-H64 CarbonylContact C-O 3.32Å; G35-H64 WeakPolarHBondContact CA-O 3.33Å; G35-S91 WeakPolarHBondContact CA-O 3.16Å; G35-H93 PolarHBondContact N-ND1 3.34Å; G35-H93 PolarHBondContact O-N 3.08Å; G35-G94 PolarHBondContact O-N 3.16Å |
| 36 | L | 98.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.3 | -179.9 | 177.8 | 61.9 | 0 | 0 | 0 | 109.7 | I38 V63 H64 V65 R66 G94 I96 V122 L277 T281 | L36-I38 HydrophobicContact CD2-CD1 4.29Å; L36-I38 HydrophobicContact CD2-CG1 4.31Å; L36-I38 HydrophobicContact CG-CG1 4.1Å; L36-V63 HydrophobicContact CB-CG1 4Å; L36-H64 PolarHBondContact N-O 2.79Å; L36-V65 HydrophobicContact CB-CG2 4.45Å; L36-V65 CarbonylContact O-C 3.56Å; L36-V65 VanDerWaalsContact O-CA 3.31Å; L36-V65 WeakPolarHBondContact O-CA 3.19Å; L36-R66 PolarHBondContact O-N 3.31Å; L36-G94 CarbonylContact C-O 3.45Å; L36-G94 WeakPolarHBondContact CA-O 3.39Å; L36-I96 HydrophobicContact CD1-CG2 4.28Å; L36-V122 HydrophobicContact CD1-CG2 3.84Å; L36-L277 HydrophobicContact CD1-CD1 4.48Å; L36-L277 HydrophobicContact CD2-CD2 4.29Å; L36-T281 HydrophobicContact CB-CG2 4.12Å |
| 37 | A | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R66 L86 V92 G94 I95 I96 | A37-R66 CarbonylContact C-O 3.43Å; A37-R66 VanDerWaalsContact CA-O 3.32Å; A37-R66 WeakPolarHBondContact CA-O 3.36Å; A37-L86 HydrophobicContact CB-CD1 3.83Å; A37-L86 HydrophobicContact CB-CD2 3.77Å; A37-L86 HydrophobicContact CB-CG 4.3Å; A37-V92 HydrophobicContact CB-CG1 3.57Å; A37-V92 HydrophobicContact CB-CG2 4.14Å; A37-G94 PolarHBondContact N-O 3.46Å; A37-I95 HydrophobicContact CB-CG1 4.39Å; A37-I95 WeakPolarHBondContact O-CA 3.13Å; A37-I96 PolarHBondContact O-N 3.25Å |
| 38 | I | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 106.8 | 177.1 | -52.9 | -175.4 | 0 | 0 | 0 | 108.1 | L36 Q40 I51 K54 V55 V65 R66 V68 I96 Q98 | L36-I38 HydrophobicContact CD2-CD1 4.29Å; L36-I38 HydrophobicContact CD2-CG1 4.31Å; L36-I38 HydrophobicContact CG-CG1 4.1Å; I38-Q40 PolarHBondContact O-N 2.78Å; I38-I51 HydrophobicContact CD1-CG2 4.48Å; I38-I51 HydrophobicContact CG2-CD1 4.27Å; I38-I51 HydrophobicContact CG2-CG1 4.03Å; I38-I51 HydrophobicContact CG2-CG2 4.4Å; I38-K54 HydrophobicContact CD1-CB 4.03Å; I38-K54 HydrophobicContact CD1-CD 4.44Å; I38-V55 HydrophobicContact CD1-CG2 4.36Å; I38-V65 HydrophobicContact CD1-CG1 3.7Å; I38-V65 HydrophobicContact CG1-CG1 3.94Å; I38-R66 PolarHBondContact N-O 3.25Å; I38-V68 PolarHBondContact O-N 2.79Å; I38-I96 HydrophobicContact CB-CD1 4.22Å; I38-I96 HydrophobicContact CB-CG1 4.01Å; I38-I96 HydrophobicContact CD1-CD1 4.1Å; I38-I96 HydrophobicContact CG1-CD1 3.77Å; I38-I96 HydrophobicContact CG1-CG1 3.78Å; I38-I96 HydrophobicContact CG2-CD1 3.83Å; I38-I96 HydrophobicContact CG2-CG1 3.91Å; I38-Q98 HydrophobicContact CG2-CB 4.49Å |
| 39 | V | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.9 | 175.4 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | L70 L79 V83 L86 I95 I96 V97 Q98 | V39-L70 HydrophobicContact CG1-CD1 4.07Å; V39-L79 HydrophobicContact CG1-CD1 3.69Å; V39-V83 HydrophobicContact CG2-CG2 4.39Å; V39-L86 HydrophobicContact CG2-CD1 3.52Å; V39-I95 HydrophobicContact CG2-CG2 4.42Å; V39-I96 PolarHBondContact N-O 2.84Å; V39-V97 HydrophobicContact CB-CG2 4.33Å; V39-Q98 PolarHBondContact O-N 2.77Å |
| 40 | Q | 96.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.7 | 178.4 | 178.1 | -177.8 | -2.2 | 0 | 0 | 109 | I38 G42 N48 I51 V68 L70 | I38-Q40 PolarHBondContact O-N 2.78Å; Q40-G42 PolarHBondContact NE2-O 2.91Å; Q40-N48 PolarHBondContact NE2-OD1 2.87Å; Q40-I51 HydrophobicContact CB-CD1 3.7Å; Q40-I51 HydrophobicContact CG-CD1 3.6Å; Q40-I51 VanDerWaalsContact OE1-CD1 3.24Å; Q40-V68 PolarHBondContact N-O 2.83Å; Q40-L70 PolarHBondContact O-N 2.8Å |
| 41 | V | 95.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.7 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | L70 V74 L79 L101 D102 T103 | V41-L70 HydrophobicContact CG2-CB 4.3Å; V41-L70 HydrophobicContact CG2-CD1 4.44Å; V41-V74 HydrophobicContact CG1-CG1 3.59Å; V41-V74 HydrophobicContact CG2-CG1 4.21Å; V41-L79 HydrophobicContact CG2-CD1 3.77Å; V41-L79 HydrophobicContact CG2-CD2 4.08Å; V41-L101 HydrophobicContact CB-CD2 4.01Å; V41-L101 HydrophobicContact CG2-CD2 3.72Å; V41-D102 WeakPolarHBondContact O-CB 3.18Å; V41-T103 HydrophobicContact CG1-CG2 3.59Å |
| 42 | G | 93.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 71.5 | -159.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q40 L70 | Q40-G42 PolarHBondContact NE2-O 2.91Å; G42-L70 PolarHBondContact N-O 3.25Å |
| 43 | N | 89.9 | Confident | 92.2 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | trans | -143.8 | 33.3 | -165.7 | -161.3 | 27.5 | 0 | 0 | 0 | 113.8 | N48 D102 | N43-N48 PolarHBondContact O-ND2 3.47Å; N43-N48 PolarHBondContact OD1-ND2 2.67Å; N43-N48 PolarHBondContact OD1-OD1 3.1Å; N43-D102 PolarHBondContact N-OD2 2.68Å | ||
| 44 | R | 86.6 | Confident | 92.4 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | trans | -57 | 140.2 | 177.2 | -63.1 | 167.6 | 52.7 | 151.3 | -0.7 | 111.7 | D46 S47 N48 P100 D102 | R44-D46 WeakPolarHBondContact CB-OD1 3.21Å; R44-D46 IonicContact CZ-OD1 2.77Å; R44-D46 IonicContact CZ-OD2 3.03Å; R44-D46 IonicContact NE-OD1 3.47Å; R44-D46 PolarHBondContact NE-OD1 2.9Å; R44-D46 VanDerWaalsContact NE-OD1 3.1Å; R44-D46 IonicContact NE-OD2 3.32Å; R44-D46 IonicContact NH2-OD1 3.1Å; R44-D46 IonicContact NH2-OD2 2.85Å; R44-D46 PolarHBondContact NH2-OD2 3.19Å; R44-D46 PolarHBondContact O-N 3.01Å; R44-S47 PolarHBondContact O-N 3.29Å; R44-N48 PolarHBondContact O-N 2.94Å; R44-N48 PolarHBondContact O-ND2 2.94Å; R44-P100 VanDerWaalsContact NH1-CG 3.29Å; R44-D102 HydrophobicContact CG-CB 3.7Å; R44-D102 WeakPolarHBondContact CG-OD2 3.42Å | ||
| 45 | S | 84.4 | Confident | 92.3 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 69% | 0.685 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.3 | -39.8 | -176.5 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | V49 | S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.74Å |
| 46 | D | 81.9 | Confident | 92.3 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -51.7 | 175.4 | 57.2 | -10.1 | 0 | 0 | 0 | 111.6 | R44 N48 V49 Y50 | R44-D46 WeakPolarHBondContact CB-OD1 3.21Å; R44-D46 IonicContact CZ-OD1 2.77Å; R44-D46 IonicContact CZ-OD2 3.03Å; R44-D46 IonicContact NE-OD1 3.47Å; R44-D46 PolarHBondContact NE-OD1 2.9Å; R44-D46 VanDerWaalsContact NE-OD1 3.1Å; R44-D46 IonicContact NE-OD2 3.32Å; R44-D46 IonicContact NH2-OD1 3.1Å; R44-D46 IonicContact NH2-OD2 2.85Å; R44-D46 PolarHBondContact NH2-OD2 3.19Å; R44-D46 PolarHBondContact O-N 3.01Å; D46-N48 VanDerWaalsContact C-N 3.32Å; D46-N48 PolarHBondContact O-N 3.34Å; D46-V49 PolarHBondContact O-N 3.22Å; D46-Y50 WeakPolarHBondContact O-CD2 3.49Å; D46-Y50 PolarHBondContact O-N 2.88Å |
| 47 | S | 86.2 | Confident | 92.2 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.2 | -46.4 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | R44 V49 Y50 I51 Q98 | R44-S47 PolarHBondContact O-N 3.29Å; S47-V49 VanDerWaalsContact C-N 3.31Å; S47-V49 PolarHBondContact O-N 3.05Å; S47-Y50 PolarHBondContact O-N 2.95Å; S47-I51 VanDerWaalsContact O-CG1 3.28Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 2.9Å; S47-Q98 WeakPolarHBondContact OG-CG 3.43Å |
| 48 | N | 89.3 | Confident | 92.1 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 176.7 | -78.1 | -35 | 0 | 0 | 0 | 113.6 | Q40 N43 R44 D46 K52 | Q40-N48 PolarHBondContact NE2-OD1 2.87Å; N43-N48 PolarHBondContact O-ND2 3.47Å; N43-N48 PolarHBondContact OD1-ND2 2.67Å; N43-N48 PolarHBondContact OD1-OD1 3.1Å; R44-N48 PolarHBondContact O-N 2.94Å; R44-N48 PolarHBondContact O-ND2 2.94Å; D46-N48 VanDerWaalsContact C-N 3.32Å; D46-N48 PolarHBondContact O-N 3.34Å; N48-K52 WeakPolarHBondContact O-CB 3.37Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.07Å; N48-K52 PolarHBondContact O-N 3.35Å |
| 49 | V | 87.9 | Confident | 92 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | S45 D46 S47 K52 H53 | S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 2.74Å; D46-V49 PolarHBondContact O-N 3.22Å; S47-V49 VanDerWaalsContact C-N 3.31Å; S47-V49 PolarHBondContact O-N 3.05Å; V49-K52 PolarHBondContact O-N 2.81Å; V49-H53 PolarHBondContact O-N 2.87Å; V49-H53 VanDerWaalsContact O-N 3.08Å |
| 50 | Y | 87.5 | Confident | 92 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 37% | 0.373 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.1 | -76.6 | -72.1 | 0 | 0 | 0 | 112.3 | D46 S47 K52 H53 K54 M236 | D46-Y50 WeakPolarHBondContact O-CD2 3.49Å; D46-Y50 PolarHBondContact O-N 2.88Å; S47-Y50 PolarHBondContact O-N 2.95Å; Y50-K52 PolarHBondContact O-N 2.85Å; Y50-H53 PolarHBondContact O-N 3.13Å; Y50-K54 WeakPolarHBondContact O-CG 3.43Å; Y50-K54 PolarHBondContact O-N 3.49Å; Y50-M236 HydrophobicContact CE1-CE 4.38Å; Y50-M236 WeakPolarHBondContact OH-CE 2.96Å; Y50-M236 PolarHBondContact OH-SD 2.77Å; Y50-M236 VanDerWaalsContact OH-SD 3.33Å |
| 51 | I | 92.2 | Very high | 92 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 178 | -66.4 | 170.3 | 0 | 0 | 0 | 110.4 | I38 Q40 S47 H53 K54 V55 V67 Q98 | I38-I51 HydrophobicContact CD1-CG2 4.48Å; I38-I51 HydrophobicContact CG2-CD1 4.27Å; I38-I51 HydrophobicContact CG2-CG1 4.03Å; I38-I51 HydrophobicContact CG2-CG2 4.4Å; Q40-I51 HydrophobicContact CB-CD1 3.7Å; Q40-I51 HydrophobicContact CG-CD1 3.6Å; Q40-I51 VanDerWaalsContact OE1-CD1 3.24Å; S47-I51 VanDerWaalsContact O-CG1 3.28Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 2.9Å; I51-H53 VanDerWaalsContact C-N 3.29Å; I51-H53 PolarHBondContact O-N 2.85Å; I51-K54 PolarHBondContact O-N 3Å; I51-K54 VanDerWaalsContact O-N 3.15Å; I51-V55 HydrophobicContact CG2-CG2 4.06Å; I51-V55 VanDerWaalsContact O-CG2 3.27Å; I51-V55 WeakPolarHBondContact O-CG2 3.48Å; I51-V55 PolarHBondContact O-N 3.48Å; I51-V67 HydrophobicContact CG2-CG1 4.19Å; I51-V67 HydrophobicContact CG2-CG2 4.13Å; I51-Q98 HydrophobicContact CD1-CB 4.27Å; I51-Q98 HydrophobicContact CD1-CG 3.99Å; I51-Q98 HydrophobicContact CG1-CB 4.49Å; I51-Q98 HydrophobicContact CG1-CG 4.02Å |
| 52 | K | 94.1 | Very high | 92 | Very high | 151 Ų | 151 | 61.3 Ų | 61.3 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57 | -41.8 | 176.3 | -78.3 | 175.7 | -178.7 | -177 | 0 | 112.3 | N48 V49 Y50 K56 | N48-K52 WeakPolarHBondContact O-CB 3.37Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.07Å; N48-K52 PolarHBondContact O-N 3.35Å; V49-K52 PolarHBondContact O-N 2.81Å; Y50-K52 PolarHBondContact O-N 2.85Å; K52-K56 WeakPolarHBondContact O-CB 3.42Å; K52-K56 PolarHBondContact O-N 3.45Å |
| 53 | H | 92.2 | Very high | 92.2 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.3 | -68.8 | 162.9 | 0 | 0 | 0 | 112.5 | V49 Y50 I51 A57 | V49-H53 PolarHBondContact O-N 2.87Å; V49-H53 VanDerWaalsContact O-N 3.08Å; Y50-H53 PolarHBondContact O-N 3.13Å; I51-H53 VanDerWaalsContact C-N 3.29Å; I51-H53 PolarHBondContact O-N 2.85Å; H53-A57 VanDerWaalsContact O-CB 3.3Å; H53-A57 WeakPolarHBondContact O-CB 3.26Å; H53-A57 PolarHBondContact O-N 3.01Å |
| 54 | K | 95 | Very high | 92.5 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.5 | -71.5 | 175.3 | 177.9 | -179.1 | 0 | 111.4 | I38 Y50 I51 A57 A58 I96 V274 L277 | I38-K54 HydrophobicContact CD1-CB 4.03Å; I38-K54 HydrophobicContact CD1-CD 4.44Å; Y50-K54 WeakPolarHBondContact O-CG 3.43Å; Y50-K54 PolarHBondContact O-N 3.49Å; I51-K54 PolarHBondContact O-N 3Å; I51-K54 VanDerWaalsContact O-N 3.15Å; K54-A57 PolarHBondContact O-N 3.18Å; K54-A58 VanDerWaalsContact O-CB 3.28Å; K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 3Å; K54-I96 HydrophobicContact CD-CD1 3.71Å; K54-I96 VanDerWaalsContact NZ-CD1 3.33Å; K54-V274 HydrophobicContact CG-CG1 4.46Å; K54-V274 HydrophobicContact CG-CG2 4.34Å; K54-L277 HydrophobicContact CD-CD2 3.87Å; K54-L277 HydrophobicContact CG-CD2 4.11Å |
| 55 | V | 96.8 | Very high | 93 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -53.1 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | I38 I51 A57 A58 E59 V65 V67 | I38-V55 HydrophobicContact CD1-CG2 4.36Å; I51-V55 HydrophobicContact CG2-CG2 4.06Å; I51-V55 VanDerWaalsContact O-CG2 3.27Å; I51-V55 WeakPolarHBondContact O-CG2 3.48Å; I51-V55 PolarHBondContact O-N 3.48Å; V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 2.67Å; V55-A58 PolarHBondContact O-N 2.81Å; V55-E59 HydrophobicContact CG1-CG 4.39Å; V55-E59 WeakPolarHBondContact O-CG 3.44Å; V55-E59 PolarHBondContact O-N 2.7Å; V55-V65 HydrophobicContact CG2-CG1 3.91Å; V55-V67 HydrophobicContact CG2-CG2 3.78Å |
| 56 | K | 96.8 | Very high | 93.6 | Very high | 150 Ų | 150 | 56.5 Ų | 56.5 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.9 | -45.6 | -179.9 | -176.2 | -177.1 | -176.7 | -174.9 | 0 | 112.2 | K52 E60 | K52-K56 WeakPolarHBondContact O-CB 3.42Å; K52-K56 PolarHBondContact O-N 3.45Å; K56-E60 WeakPolarHBondContact O-CB 3.38Å; K56-E60 PolarHBondContact O-N 3.1Å; K56-E60 VanDerWaalsContact O-N 3.09Å |
| 57 | A | 96.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K15 H53 K54 V55 V274 L278 | K15-A57 HydrophobicContact CD-CB 4.24Å; H53-A57 VanDerWaalsContact O-CB 3.3Å; H53-A57 WeakPolarHBondContact O-CB 3.26Å; H53-A57 PolarHBondContact O-N 3.01Å; K54-A57 PolarHBondContact O-N 3.18Å; V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 2.67Å; A57-V274 HydrophobicContact CB-CG1 3.7Å; A57-L278 HydrophobicContact CB-CD1 3.87Å |
| 58 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K54 V55 E60 I61 G62 V63 V65 L278 | K54-A58 VanDerWaalsContact O-CB 3.28Å; K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 3Å; V55-A58 PolarHBondContact O-N 2.81Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å; A58-I61 VanDerWaalsContact O-CG1 3.22Å; A58-I61 WeakPolarHBondContact O-CG1 3.37Å; A58-I61 PolarHBondContact O-N 2.89Å; A58-G62 PolarHBondContact O-N 2.88Å; A58-V63 CarbonylContact C-O 3.56Å; A58-V63 HydrophobicContact CB-CB 3.94Å; A58-V63 HydrophobicContact CB-CG1 4.08Å; A58-V63 WeakPolarHBondContact O-CB 3.44Å; A58-V63 PolarHBondContact O-N 3.46Å; A58-V65 HydrophobicContact CB-CG2 3.22Å; A58-L278 HydrophobicContact CB-CD2 3.65Å |
| 59 | E | 96 | Very high | 95.2 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.9 | -37.9 | 179.4 | -71.3 | 176.5 | 163.5 | 0 | 0 | 112 | V55 I61 G62 | V55-E59 HydrophobicContact CG1-CG 4.39Å; V55-E59 WeakPolarHBondContact O-CG 3.44Å; V55-E59 PolarHBondContact O-N 2.7Å; E59-I61 PolarHBondContact O-N 3.11Å; E59-G62 PolarHBondContact O-N 3.49Å; E59-G62 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 96.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -35.2 | 177.3 | -174.4 | -172.8 | 158.9 | 0 | 0 | 113 | Q12 K15 K56 A58 | Q12-E60 PolarHBondContact NE2-OE1 3.07Å; Q12-E60 PolarHBondContact OE1-OE1 3.43Å; K15-E60 VanDerWaalsContact NZ-CD 3.33Å; K15-E60 IonicContact NZ-OE1 3.07Å; K15-E60 PolarHBondContact NZ-OE1 3.46Å; K15-E60 IonicContact NZ-OE2 3.11Å; K15-E60 PolarHBondContact NZ-OE2 3.16Å; K56-E60 WeakPolarHBondContact O-CB 3.38Å; K56-E60 PolarHBondContact O-N 3.1Å; K56-E60 VanDerWaalsContact O-N 3.09Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å |
| 61 | I | 96.3 | Very high | 96 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.4 | 0.1 | -179 | 67.2 | 160.3 | 0 | 0 | 0 | 113.5 | K15 L18 K19 I22 A58 E59 V63 L278 V282 | K15-I61 HydrophobicContact CB-CG2 3.61Å; K15-I61 HydrophobicContact CD-CG2 4.37Å; K15-I61 HydrophobicContact CG-CG2 3.99Å; K15-I61 VanDerWaalsContact O-CG2 3.3Å; K15-I61 WeakPolarHBondContact O-CG2 3.36Å; L18-I61 HydrophobicContact CB-CD1 4.03Å; L18-I61 HydrophobicContact CD1-CD1 4.04Å; K19-I61 HydrophobicContact CB-CB 4.16Å; K19-I61 HydrophobicContact CB-CG2 4.36Å; I22-I61 HydrophobicContact CD1-CD1 4.36Å; I22-I61 WeakPolarHBondContact CD1-O 3.32Å; A58-I61 VanDerWaalsContact O-CG1 3.22Å; A58-I61 WeakPolarHBondContact O-CG1 3.37Å; A58-I61 PolarHBondContact O-N 2.89Å; E59-I61 PolarHBondContact O-N 3.11Å; I61-V63 HydrophobicContact CD1-CG2 3.61Å; I61-V63 HydrophobicContact CG1-CB 4.41Å; I61-V63 HydrophobicContact CG1-CG2 3.78Å; I61-L278 HydrophobicContact CD1-CB 3.79Å; I61-L278 HydrophobicContact CD1-CD1 3.8Å; I61-L278 HydrophobicContact CD1-CD2 4.31Å; I61-L278 HydrophobicContact CD1-CG 4.16Å; I61-L278 HydrophobicContact CG1-CD1 4.28Å; I61-V282 HydrophobicContact CD1-CG2 4.48Å |
| 62 | G | 95.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A58 E59 | A58-G62 PolarHBondContact O-N 2.88Å; E59-G62 PolarHBondContact O-N 3.49Å; E59-G62 VanDerWaalsContact O-N 3.14Å |
| 63 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -77.3 | 128.8 | 173.8 | 175 | 0 | 0 | 0 | 0 | 109.4 | I22 P34 L36 A58 I61 L278 T281 V282 | I22-V63 HydrophobicContact CD1-CG2 4.15Å; P34-V63 HydrophobicContact CB-CG1 4.48Å; P34-V63 HydrophobicContact CB-CG2 4.11Å; P34-V63 HydrophobicContact CG-CG2 4.49Å; P34-V63 CarbonylContact O-C 3.47Å; P34-V63 WeakPolarHBondContact O-CA 3.3Å; L36-V63 HydrophobicContact CB-CG1 4Å; A58-V63 CarbonylContact C-O 3.56Å; A58-V63 HydrophobicContact CB-CB 3.94Å; A58-V63 HydrophobicContact CB-CG1 4.08Å; A58-V63 WeakPolarHBondContact O-CB 3.44Å; A58-V63 PolarHBondContact O-N 3.46Å; I61-V63 HydrophobicContact CD1-CG2 3.61Å; I61-V63 HydrophobicContact CG1-CB 4.41Å; I61-V63 HydrophobicContact CG1-CG2 3.78Å; V63-L278 HydrophobicContact CG2-CD2 4.49Å; V63-T281 HydrophobicContact CG1-CG2 4.1Å; V63-V282 HydrophobicContact CG2-CG2 4.2Å | ||
| 64 | H | 96.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 38% | 0.384 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.2 | 172.1 | -172.1 | 51.4 | 0 | 0 | 0 | 110.2 | R33 P34 G35 L36 | R33-H64 HydrophobicContact CG-CB 4.1Å; P34-H64 PolarHBondContact O-N 3.21Å; G35-H64 CarbonylContact C-O 3.32Å; G35-H64 WeakPolarHBondContact CA-O 3.33Å; L36-H64 PolarHBondContact N-O 2.79Å |
| 65 | V | 97.7 | Very high | 96 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.3 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | L36 I38 V55 A58 V67 | L36-V65 HydrophobicContact CB-CG2 4.45Å; L36-V65 CarbonylContact O-C 3.56Å; L36-V65 VanDerWaalsContact O-CA 3.31Å; L36-V65 WeakPolarHBondContact O-CA 3.19Å; I38-V65 HydrophobicContact CD1-CG1 3.7Å; I38-V65 HydrophobicContact CG1-CG1 3.94Å; V55-V65 HydrophobicContact CG2-CG1 3.91Å; A58-V65 HydrophobicContact CB-CG2 3.22Å; V65-V67 HydrophobicContact CG1-CG2 4.08Å |
| 66 | R | 97.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 58 Ų | 58 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.4 | 169.3 | 179.5 | 178 | 170.9 | -176.8 | -6.7 | 108.6 | L36 A37 I38 V68 E82 D89 | L36-R66 PolarHBondContact O-N 3.31Å; A37-R66 CarbonylContact C-O 3.43Å; A37-R66 VanDerWaalsContact CA-O 3.32Å; A37-R66 WeakPolarHBondContact CA-O 3.36Å; I38-R66 PolarHBondContact N-O 3.25Å; R66-V68 HydrophobicContact CG-CG2 4.14Å; R66-E82 IonicContact NH2-OE1 3.39Å; R66-D89 IonicContact NH1-OD2 3.99Å; R66-D89 PolarHBondContact NH1-OD2 2.85Å; R66-D89 VanDerWaalsContact NH1-OD2 3.12Å |
| 67 | V | 97.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 30% | 0.303 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 111.5 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | I51 V55 V65 K69 | I51-V67 HydrophobicContact CG2-CG1 4.19Å; I51-V67 HydrophobicContact CG2-CG2 4.13Å; V55-V67 HydrophobicContact CG2-CG2 3.78Å; V65-V67 HydrophobicContact CG1-CG2 4.08Å; V67-K69 HydrophobicContact CG1-CG 3.94Å |
| 68 | V | 96.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 107.7 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | I38 Q40 R66 L70 E82 L86 | I38-V68 PolarHBondContact O-N 2.79Å; Q40-V68 PolarHBondContact N-O 2.83Å; R66-V68 HydrophobicContact CG-CG2 4.14Å; V68-L70 HydrophobicContact CG1-CD2 4.49Å; V68-L70 HydrophobicContact CG1-CG 4.29Å; V68-E82 HydrophobicContact CG1-CG 3.63Å; V68-E82 VanDerWaalsContact CG1-OE1 3.31Å; V68-E82 WeakPolarHBondContact CG1-OE1 3.38Å; V68-L86 HydrophobicContact CG2-CD1 4.21Å; V68-L86 HydrophobicContact CG2-CD2 4.22Å |
| 69 | K | 95.9 | Very high | 95.4 | Very high | 145 Ų | 145 | 59 Ų | 59 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.9 | -178.7 | -65.9 | -172.8 | 177.3 | -178.3 | 0 | 110.5 | V67 | V67-K69 HydrophobicContact CG1-CG 3.94Å |
| 70 | L | 96 | Very high | 95.4 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.9 | 177.6 | -63.5 | 170.3 | 0 | 0 | 0 | 110.2 | V39 Q40 V41 G42 V68 V74 L79 E82 | V39-L70 HydrophobicContact CG1-CD1 4.07Å; Q40-L70 PolarHBondContact O-N 2.8Å; V41-L70 HydrophobicContact CG2-CB 4.3Å; V41-L70 HydrophobicContact CG2-CD1 4.44Å; G42-L70 PolarHBondContact N-O 3.25Å; V68-L70 HydrophobicContact CG1-CD2 4.49Å; V68-L70 HydrophobicContact CG1-CG 4.29Å; L70-V74 HydrophobicContact CB-CB 4.26Å; L70-V74 HydrophobicContact CB-CG1 4.16Å; L70-V74 HydrophobicContact CB-CG2 4.34Å; L70-V74 HydrophobicContact CD1-CG2 4.34Å; L70-L79 HydrophobicContact CD1-CD1 3.39Å; L70-E82 HydrophobicContact CD1-CB 4.44Å; L70-E82 HydrophobicContact CD1-CG 4.36Å |
| 71 | P | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | trans | -67.9 | 159.5 | 179.6 | 30.6 | -35.8 | 0 | 0 | 0 | 111 | S73 V74 | P71-S73 PolarHBondContact O-N 3.2Å; P71-S73 VanDerWaalsContact O-N 3.13Å; P71-V74 HydrophobicContact CG-CB 4.42Å; P71-V74 WeakPolarHBondContact O-CB 3.29Å; P71-V74 VanDerWaalsContact O-CG1 3.26Å; P71-V74 WeakPolarHBondContact O-CG1 3.27Å; P71-V74 PolarHBondContact O-N 3.02Å | ||
| 72 | K | 94.5 | Very high | 95.3 | Very high | 94 Ų | 94 | 57 Ų | 57 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.6 | 174.5 | -58.6 | -167.2 | 178.9 | -138.3 | 0 | 113.3 | V74 D102 T103 C104 | K72-V74 VanDerWaalsContact C-N 3.26Å; K72-V74 PolarHBondContact O-N 2.9Å; K72-D102 WeakPolarHBondContact CA-O 3.44Å; K72-D102 WeakPolarHBondContact CB-O 3.19Å; K72-D102 WeakPolarHBondContact CE-OD2 3.32Å; K72-D102 WeakPolarHBondContact CG-O 3.32Å; K72-D102 IonicContact NZ-OD1 2.92Å; K72-D102 PolarHBondContact NZ-OD1 3.02Å; K72-D102 IonicContact NZ-OD2 3.58Å; K72-D102 PolarHBondContact NZ-OD2 2.99Å; K72-T103 CarbonylContact O-C 3.5Å; K72-T103 WeakPolarHBondContact O-CA 3.3Å; K72-C104 PolarHBondContact O-N 2.9Å |
| 73 | S | 93.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 1.8 | 179.4 | 62 | 0 | 0 | 0 | 0 | 113.8 | P71 D75 | P71-S73 PolarHBondContact O-N 3.2Å; P71-S73 VanDerWaalsContact O-N 3.13Å; S73-D75 PolarHBondContact O-N 2.91Å |
| 74 | V | 93.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | trans | -61.5 | 130.2 | 178.5 | 71.9 | 0 | 0 | 0 | 0 | 109.6 | V41 L70 P71 K72 T78 L79 | V41-V74 HydrophobicContact CG1-CG1 3.59Å; V41-V74 HydrophobicContact CG2-CG1 4.21Å; L70-V74 HydrophobicContact CB-CB 4.26Å; L70-V74 HydrophobicContact CB-CG1 4.16Å; L70-V74 HydrophobicContact CB-CG2 4.34Å; L70-V74 HydrophobicContact CD1-CG2 4.34Å; P71-V74 HydrophobicContact CG-CB 4.42Å; P71-V74 WeakPolarHBondContact O-CB 3.29Å; P71-V74 VanDerWaalsContact O-CG1 3.26Å; P71-V74 WeakPolarHBondContact O-CG1 3.27Å; P71-V74 PolarHBondContact O-N 3.02Å; K72-V74 VanDerWaalsContact C-N 3.26Å; K72-V74 PolarHBondContact O-N 2.9Å; V74-T78 HydrophobicContact CG2-CG2 3.76Å; V74-L79 HydrophobicContact CG2-CB 4.43Å | ||
| 75 | D | 92.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -78.4 | 166.6 | 173 | 60.9 | 80.5 | 0 | 0 | 0 | 111.4 | S73 D77 T78 L79 | S73-D75 PolarHBondContact O-N 2.91Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact O-N 3.25Å; D75-D77 PolarHBondContact OD1-N 3.18Å; D75-D77 VanDerWaalsContact OD1-N 3.15Å; D75-T78 VanDerWaalsContact CG-OG1 3.29Å; D75-T78 WeakPolarHBondContact OD1-CB 3.49Å; D75-T78 PolarHBondContact OD1-N 3.09Å; D75-T78 PolarHBondContact OD1-OG1 2.85Å; D75-T78 PolarHBondContact OD2-OG1 2.9Å; D75-L79 PolarHBondContact O-N 3.26Å | ||
| 76 | S | 92.4 | Very high | 95 | Very high | 40 Ų | 40 | 58.7 Ų | 58.7 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | L79 I80 | S76-L79 PolarHBondContact O-N 3.13Å; S76-I80 VanDerWaalsContact O-CG1 3.24Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.19Å |
| 77 | D | 93.2 | Very high | 94.9 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70 | -45.7 | -176.2 | -66.9 | -27.5 | 0 | 0 | 0 | 110.8 | D75 L79 I80 D81 | D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact O-N 3.25Å; D75-D77 PolarHBondContact OD1-N 3.18Å; D75-D77 VanDerWaalsContact OD1-N 3.15Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 2.82Å; D77-I80 WeakPolarHBondContact O-CB 3.31Å; D77-I80 PolarHBondContact O-N 2.88Å; D77-I80 VanDerWaalsContact O-N 3.16Å; D77-D81 WeakPolarHBondContact O-CB 3.48Å; D77-D81 PolarHBondContact O-N 2.83Å |
| 78 | T | 94 | Very high | 94.3 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -40 | 174.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | V74 D75 D81 E82 | V74-T78 HydrophobicContact CG2-CG2 3.76Å; D75-T78 VanDerWaalsContact CG-OG1 3.29Å; D75-T78 WeakPolarHBondContact OD1-CB 3.49Å; D75-T78 PolarHBondContact OD1-N 3.09Å; D75-T78 PolarHBondContact OD1-OG1 2.85Å; D75-T78 PolarHBondContact OD2-OG1 2.9Å; T78-D81 PolarHBondContact O-N 2.86Å; T78-E82 PolarHBondContact O-N 3.5Å |
| 79 | L | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.7 | -178.5 | 59.9 | 0 | 0 | 0 | 111.9 | V39 V41 L70 V74 D75 S76 D77 E82 V83 L101 V107 I112 | V39-L79 HydrophobicContact CG1-CD1 3.69Å; V41-L79 HydrophobicContact CG2-CD1 3.77Å; V41-L79 HydrophobicContact CG2-CD2 4.08Å; L70-L79 HydrophobicContact CD1-CD1 3.39Å; V74-L79 HydrophobicContact CG2-CB 4.43Å; D75-L79 PolarHBondContact O-N 3.26Å; S76-L79 PolarHBondContact O-N 3.13Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 2.82Å; L79-E82 PolarHBondContact O-N 2.78Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 3.18Å; L79-V83 VanDerWaalsContact O-N 3.15Å; L79-L101 HydrophobicContact CD2-CD1 4.1Å; L79-V107 HydrophobicContact CD2-CG1 4.34Å; L79-I112 HydrophobicContact CB-CD1 4.22Å; L79-I112 HydrophobicContact CD2-CB 4.46Å; L79-I112 HydrophobicContact CD2-CD1 3.79Å; L79-I112 HydrophobicContact CD2-CG1 3.72Å; L79-I112 HydrophobicContact CD2-CG2 3.89Å; L79-I112 HydrophobicContact CG-CD1 3.9Å; L79-I112 HydrophobicContact CG-CG1 4.25Å; L79-I112 HydrophobicContact CG-CG2 3.9Å |
| 80 | I | 95.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.6 | -73.5 | 168 | 0 | 0 | 0 | 110.5 | S76 D77 E82 V83 K84 L111 I112 T115 | S76-I80 VanDerWaalsContact O-CG1 3.24Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.19Å; D77-I80 WeakPolarHBondContact O-CB 3.31Å; D77-I80 PolarHBondContact O-N 2.88Å; D77-I80 VanDerWaalsContact O-N 3.16Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.19Å; I80-V83 PolarHBondContact O-N 3.37Å; I80-K84 HydrophobicContact CG2-CD 4.03Å; I80-K84 HydrophobicContact CG2-CG 4.37Å; I80-K84 WeakPolarHBondContact O-CG 3.48Å; I80-K84 PolarHBondContact O-N 3.33Å; I80-L111 HydrophobicContact CD1-CD2 3.89Å; I80-L111 HydrophobicContact CD1-CG 4.15Å; I80-I112 HydrophobicContact CD1-CD1 4.16Å; I80-I112 HydrophobicContact CG1-CD1 3.46Å; I80-I112 VanDerWaalsContact CG1-CD1 3.46Å; I80-T115 HydrophobicContact CG2-CG2 4.06Å |
| 81 | D | 94.9 | Very high | 93 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | -177.6 | -74.4 | -14.8 | 0 | 0 | 0 | 112.2 | D77 T78 K84 S85 | D77-D81 WeakPolarHBondContact O-CB 3.48Å; D77-D81 PolarHBondContact O-N 2.83Å; T78-D81 PolarHBondContact O-N 2.86Å; D81-K84 PolarHBondContact O-N 3.32Å; D81-K84 IonicContact OD1-NZ 2.85Å; D81-K84 PolarHBondContact OD1-NZ 3.4Å; D81-S85 WeakPolarHBondContact O-CB 3.34Å; D81-S85 PolarHBondContact O-N 3.48Å |
| 82 | E | 96.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 171.5 | -171.9 | 65.9 | -155.4 | 0 | 0 | 111.3 | R66 V68 L70 T78 L79 I80 K84 S85 L86 | R66-E82 IonicContact NH2-OE1 3.39Å; V68-E82 HydrophobicContact CG1-CG 3.63Å; V68-E82 VanDerWaalsContact CG1-OE1 3.31Å; V68-E82 WeakPolarHBondContact CG1-OE1 3.38Å; L70-E82 HydrophobicContact CD1-CB 4.44Å; L70-E82 HydrophobicContact CD1-CG 4.36Å; T78-E82 PolarHBondContact O-N 3.5Å; L79-E82 PolarHBondContact O-N 2.78Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.19Å; E82-K84 PolarHBondContact O-N 3.22Å; E82-S85 WeakPolarHBondContact O-CB 3.19Å; E82-S85 PolarHBondContact O-N 3.04Å; E82-L86 WeakPolarHBondContact O-CG 3.26Å; E82-L86 PolarHBondContact O-N 2.95Å |
| 83 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 111 | V39 L79 I80 S85 L86 N87 V97 I112 T115 I116 | V39-V83 HydrophobicContact CG2-CG2 4.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 3.18Å; L79-V83 VanDerWaalsContact O-N 3.15Å; I80-V83 PolarHBondContact O-N 3.37Å; V83-S85 VanDerWaalsContact C-N 3.34Å; V83-S85 PolarHBondContact O-N 3.34Å; V83-L86 PolarHBondContact O-N 3.05Å; V83-N87 PolarHBondContact O-N 2.89Å; V83-V97 HydrophobicContact CG2-CG2 4.36Å; V83-I112 HydrophobicContact CG2-CG2 4.3Å; V83-T115 HydrophobicContact CB-CG2 3.98Å; V83-T115 HydrophobicContact CG1-CG2 3.76Å; V83-I116 HydrophobicContact CG1-CG1 3.79Å |
| 84 | K | 94.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 45% | 0.452 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.8 | -72.6 | 173.8 | -175.5 | 159.8 | 0 | 111.8 | I80 D81 E82 L86 N87 C88 T115 | I80-K84 HydrophobicContact CG2-CD 4.03Å; I80-K84 HydrophobicContact CG2-CG 4.37Å; I80-K84 WeakPolarHBondContact O-CG 3.48Å; I80-K84 PolarHBondContact O-N 3.33Å; D81-K84 PolarHBondContact O-N 3.32Å; D81-K84 IonicContact OD1-NZ 2.85Å; D81-K84 PolarHBondContact OD1-NZ 3.4Å; E82-K84 PolarHBondContact O-N 3.22Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.44Å; K84-N87 WeakPolarHBondContact O-CB 3.29Å; K84-N87 PolarHBondContact O-N 3.06Å; K84-N87 VanDerWaalsContact O-N 3.16Å; K84-C88 PolarHBondContact O-N 3.07Å; K84-C88 PolarHBondContact O-SG 3.21Å; K84-C88 VanDerWaalsContact O-SG 3.4Å; K84-T115 HydrophobicContact CG-CG2 3.79Å |
| 85 | S | 93.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 44% | 0.441 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | D81 E82 V83 C88 D89 | D81-S85 WeakPolarHBondContact O-CB 3.34Å; D81-S85 PolarHBondContact O-N 3.48Å; E82-S85 WeakPolarHBondContact O-CB 3.19Å; E82-S85 PolarHBondContact O-N 3.04Å; V83-S85 VanDerWaalsContact C-N 3.34Å; V83-S85 PolarHBondContact O-N 3.34Å; S85-C88 PolarHBondContact O-N 2.87Å; S85-D89 PolarHBondContact O-N 2.77Å; S85-D89 VanDerWaalsContact O-N 3.17Å |
| 86 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.2 | -34.5 | 175.4 | -67 | 171.2 | 0 | 0 | 0 | 112.3 | A37 V39 V68 E82 V83 K84 C88 D89 V92 I95 | A37-L86 HydrophobicContact CB-CD1 3.83Å; A37-L86 HydrophobicContact CB-CD2 3.77Å; A37-L86 HydrophobicContact CB-CG 4.3Å; V39-L86 HydrophobicContact CG2-CD1 3.52Å; V68-L86 HydrophobicContact CG2-CD1 4.21Å; V68-L86 HydrophobicContact CG2-CD2 4.22Å; E82-L86 WeakPolarHBondContact O-CG 3.26Å; E82-L86 PolarHBondContact O-N 2.95Å; V83-L86 PolarHBondContact O-N 3.05Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.44Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.07Å; L86-D89 PolarHBondContact O-N 2.77Å; L86-V92 HydrophobicContact CD2-CG2 4.24Å; L86-I95 HydrophobicContact CB-CD1 3.69Å; L86-I95 HydrophobicContact CB-CG1 4.12Å; L86-I95 HydrophobicContact CD1-CG2 4.35Å |
| 87 | N | 93.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 171.5 | -71.7 | -32.4 | 0 | 0 | 0 | 111 | V83 K84 D89 I95 T115 E117 K120 | V83-N87 PolarHBondContact O-N 2.89Å; K84-N87 WeakPolarHBondContact O-CB 3.29Å; K84-N87 PolarHBondContact O-N 3.06Å; K84-N87 VanDerWaalsContact O-N 3.16Å; N87-D89 VanDerWaalsContact C-N 3.31Å; N87-D89 PolarHBondContact O-N 3.25Å; N87-I95 WeakPolarHBondContact OD1-CD1 3.31Å; N87-T115 PolarHBondContact ND2-O 3.02Å; N87-E117 HydrophobicContact CB-CB 4.5Å; N87-E117 PolarHBondContact OD1-N 2.81Å; N87-K120 WeakPolarHBondContact O-CE 3.24Å; N87-K120 PolarHBondContact O-NZ 3.3Å |
| 88 | C | 86.1 | Confident | 93.8 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 47% | 0.473 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76.6 | -14 | 177.7 | -61 | 0 | 0 | 0 | 0 | 114.1 | K84 S85 L86 T90 A335 | K84-C88 PolarHBondContact O-N 3.07Å; K84-C88 PolarHBondContact O-SG 3.21Å; K84-C88 VanDerWaalsContact O-SG 3.4Å; S85-C88 PolarHBondContact O-N 2.87Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.07Å; C88-T90 PolarHBondContact O-N 2.63Å; C88-A335 HydrophobicContact CB-CB 4.16Å |
| 89 | D | 87.9 | Confident | 93.7 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | trans | -80 | 110.5 | 179.2 | -171.6 | -20.1 | 0 | 0 | 0 | 110.4 | R66 S85 L86 N87 S91 V92 K120 | R66-D89 IonicContact NH1-OD2 3.99Å; R66-D89 PolarHBondContact NH1-OD2 2.85Å; R66-D89 VanDerWaalsContact NH1-OD2 3.12Å; S85-D89 PolarHBondContact O-N 2.77Å; S85-D89 VanDerWaalsContact O-N 3.17Å; L86-D89 PolarHBondContact O-N 2.77Å; N87-D89 VanDerWaalsContact C-N 3.31Å; N87-D89 PolarHBondContact O-N 3.25Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 WeakPolarHBondContact OD1-CB 3.26Å; D89-S91 PolarHBondContact OD1-N 3.36Å; D89-S91 PolarHBondContact OD1-OG 2.88Å; D89-S91 PolarHBondContact OD2-OG 3.35Å; D89-V92 HydrophobicContact CB-CB 4.19Å; D89-V92 HydrophobicContact CB-CG2 3.95Å; D89-V92 WeakPolarHBondContact O-CB 3.4Å; D89-V92 PolarHBondContact O-N 3.13Å; D89-V92 VanDerWaalsContact O-N 3.07Å; D89-V92 VanDerWaalsContact O-O 3.14Å; D89-K120 PolarHBondContact O-NZ 3.17Å | ||
| 90 | T | 82.9 | Confident | 93.4 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.8 | -178.9 | 65 | 0 | 0 | 0 | 0 | 113.5 | C88 V92 T333 R354 | C88-T90 PolarHBondContact O-N 2.63Å; T90-V92 VanDerWaalsContact C-N 3.26Å; T90-T333 HydrophobicContact CG2-CG2 4.38Å; T90-R354 VanDerWaalsContact CG2-CD 3.41Å; T90-R354 HydrophobicContact CG2-CG 4.48Å |
| 91 | S | 89.5 | Confident | 93.2 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.4 | 167.1 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | G35 D89 H93 | G35-S91 WeakPolarHBondContact CA-O 3.16Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 WeakPolarHBondContact OD1-CB 3.26Å; D89-S91 PolarHBondContact OD1-N 3.36Å; D89-S91 PolarHBondContact OD1-OG 2.88Å; D89-S91 PolarHBondContact OD2-OG 3.35Å; S91-H93 PolarHBondContact O-ND1 2.79Å |
| 92 | V | 94.8 | Very high | 93 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | trans | -102.4 | 113 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | A37 L86 D89 T90 G94 I95 K120 | A37-V92 HydrophobicContact CB-CG1 3.57Å; A37-V92 HydrophobicContact CB-CG2 4.14Å; L86-V92 HydrophobicContact CD2-CG2 4.24Å; D89-V92 HydrophobicContact CB-CB 4.19Å; D89-V92 HydrophobicContact CB-CG2 3.95Å; D89-V92 WeakPolarHBondContact O-CB 3.4Å; D89-V92 PolarHBondContact O-N 3.13Å; D89-V92 VanDerWaalsContact O-N 3.07Å; D89-V92 VanDerWaalsContact O-O 3.14Å; T90-V92 VanDerWaalsContact C-N 3.26Å; V92-G94 WeakPolarHBondContact CG1-O 3.36Å; V92-I95 HydrophobicContact CG1-CD1 4.35Å; V92-I95 HydrophobicContact CG1-CG1 3.61Å; V92-K120 WeakPolarHBondContact O-CD 3.37Å; V92-K120 WeakPolarHBondContact O-CE 3.46Å; V92-K120 PolarHBondContact O-NZ 3.29Å | ||
| 93 | H | 95.8 | Very high | 92.8 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | trans | -104.1 | -22.2 | -178.6 | -50.8 | 81.3 | 0 | 0 | 0 | 111.6 | R33 G35 S91 K120 A284 A285 E288 | R33-H93 PolarHBondContact O-CE1 3.09Å; G35-H93 PolarHBondContact N-ND1 3.34Å; G35-H93 PolarHBondContact O-N 3.08Å; S91-H93 PolarHBondContact O-ND1 2.79Å; H93-K120 WeakPolarHBondContact O-CA 3.38Å; H93-A284 HydrophobicContact CB-CB 4.43Å; H93-A284 WeakPolarHBondContact O-CB 3.28Å; H93-A285 HydrophobicContact CB-CB 3.92Å; H93-A285 VanDerWaalsContact CD2-CA 3.43Å; H93-A285 WeakPolarHBondContact CD2-CA 3.15Å; H93-E288 IonicContact CD2-OE2 2.71Å; H93-E288 PolarHBondContact CD2-OE2 3.39Å; H93-E288 IonicContact NE2-OE2 3.15Å | ||
| 94 | G | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G35 L36 A37 V92 K120 | G35-G94 PolarHBondContact O-N 3.16Å; L36-G94 CarbonylContact C-O 3.45Å; L36-G94 WeakPolarHBondContact CA-O 3.39Å; A37-G94 PolarHBondContact N-O 3.46Å; V92-G94 WeakPolarHBondContact CG1-O 3.36Å; G94-K120 CarbonylContact C-O 3.53Å; G94-K120 WeakPolarHBondContact CA-O 3.24Å |
| 95 | I | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.5 | 174.1 | -57.6 | 165.7 | 0 | 0 | 0 | 107.9 | A37 V39 L86 N87 V92 I116 K120 | A37-I95 HydrophobicContact CB-CG1 4.39Å; A37-I95 WeakPolarHBondContact O-CA 3.13Å; V39-I95 HydrophobicContact CG2-CG2 4.42Å; L86-I95 HydrophobicContact CB-CD1 3.69Å; L86-I95 HydrophobicContact CB-CG1 4.12Å; L86-I95 HydrophobicContact CD1-CG2 4.35Å; N87-I95 WeakPolarHBondContact OD1-CD1 3.31Å; V92-I95 HydrophobicContact CG1-CD1 4.35Å; V92-I95 HydrophobicContact CG1-CG1 3.61Å; I95-I116 HydrophobicContact CB-CD1 4.36Å; I95-I116 HydrophobicContact CB-CG1 4.22Å; I95-I116 HydrophobicContact CB-CG2 3.99Å; I95-I116 HydrophobicContact CD1-CG2 4.36Å; I95-I116 HydrophobicContact CG2-CD1 4.03Å; I95-I116 HydrophobicContact CG2-CG1 3.89Å; I95-K120 HydrophobicContact CD1-CB 4.19Å; I95-K120 HydrophobicContact CD1-CD 4.07Å; I95-K120 HydrophobicContact CG1-CB 4.31Å; I95-K120 PolarHBondContact N-O 2.87Å |
| 96 | I | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.1 | 167.3 | 63.5 | 166.9 | 0 | 0 | 0 | 110.3 | L36 A37 I38 V39 K54 V122 D123 L277 | L36-I96 HydrophobicContact CD1-CG2 4.28Å; A37-I96 PolarHBondContact O-N 3.25Å; I38-I96 HydrophobicContact CB-CD1 4.22Å; I38-I96 HydrophobicContact CB-CG1 4.01Å; I38-I96 HydrophobicContact CD1-CD1 4.1Å; I38-I96 HydrophobicContact CG1-CD1 3.77Å; I38-I96 HydrophobicContact CG1-CG1 3.78Å; I38-I96 HydrophobicContact CG2-CD1 3.83Å; I38-I96 HydrophobicContact CG2-CG1 3.91Å; V39-I96 PolarHBondContact N-O 2.84Å; K54-I96 HydrophobicContact CD-CD1 3.71Å; K54-I96 VanDerWaalsContact NZ-CD1 3.33Å; I96-V122 HydrophobicContact CG2-CG2 3.7Å; I96-D123 HydrophobicContact CG2-CB 4.02Å; I96-L277 HydrophobicContact CD1-CD2 4.13Å; I96-L277 HydrophobicContact CG2-CD1 3.53Å |
| 97 | V | 96 | Very high | 91.4 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.7 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | V39 V83 L99 L101 I112 V113 I116 | V39-V97 HydrophobicContact CB-CG2 4.33Å; V83-V97 HydrophobicContact CG2-CG2 4.36Å; V97-L99 HydrophobicContact CG1-CD2 4.03Å; V97-L99 PolarHBondContact O-N 2.88Å; V97-L99 VanDerWaalsContact O-N 3.08Å; V97-L101 HydrophobicContact CG1-CD2 3.58Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-I112 HydrophobicContact CG1-CG2 4.14Å; V97-I112 HydrophobicContact CG2-CG2 4Å; V97-V113 HydrophobicContact CB-CG2 4.48Å; V97-I116 HydrophobicContact CG2-CD1 4.02Å |
| 98 | Q | 93.7 | Very high | 91.4 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | trans | -72.1 | 109.4 | -176.6 | -178.6 | 58.5 | 61.6 | 0 | 0 | 110.1 | I38 V39 S47 I51 | I38-Q98 HydrophobicContact CG2-CB 4.49Å; V39-Q98 PolarHBondContact O-N 2.77Å; S47-Q98 WeakPolarHBondContact OG-CG 3.43Å; I51-Q98 HydrophobicContact CD1-CB 4.27Å; I51-Q98 HydrophobicContact CD1-CG 3.99Å; I51-Q98 HydrophobicContact CG1-CB 4.49Å; I51-Q98 HydrophobicContact CG1-CG 4.02Å | ||
| 99 | L | 90.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -91.5 | 152.9 | 178.7 | -57.1 | -173.9 | 0 | 0 | 0 | 112.3 | V97 L101 T109 V113 | V97-L99 HydrophobicContact CG1-CD2 4.03Å; V97-L99 PolarHBondContact O-N 2.88Å; V97-L99 VanDerWaalsContact O-N 3.08Å; L99-L101 HydrophobicContact CD2-CD2 4.4Å; L99-L101 HydrophobicContact CD2-CG 4.08Å; L99-T109 HydrophobicContact CD1-CG2 3.95Å; L99-T109 HydrophobicContact CD2-CG2 3.32Å; L99-T109 HydrophobicContact CG-CG2 4.28Å; L99-V113 HydrophobicContact CD1-CG2 4.43Å |
| 100 | P | 88.7 | Confident | 91.9 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | S | Bend | cis | -73.3 | 149.4 | -8.8 | -7.7 | 25.7 | 0 | 0 | 0 | 111.3 | R44 | R44-P100 VanDerWaalsContact NH1-CG 3.29Š|
| 101 | L | 91.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 136.8 | 171.7 | -64.1 | 177.6 | 0 | 0 | 0 | 110.3 | V41 L79 V97 L99 T103 V107 T109 I112 | V41-L101 HydrophobicContact CB-CD2 4.01Å; V41-L101 HydrophobicContact CG2-CD2 3.72Å; L79-L101 HydrophobicContact CD2-CD1 4.1Å; V97-L101 HydrophobicContact CG1-CD2 3.58Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; L99-L101 HydrophobicContact CD2-CD2 4.4Å; L99-L101 HydrophobicContact CD2-CG 4.08Å; L101-T103 HydrophobicContact CB-CG2 4.23Å; L101-V107 HydrophobicContact CD1-CB 4.44Å; L101-V107 HydrophobicContact CD1-CG1 4.15Å; L101-T109 HydrophobicContact CD1-CG2 4.39Å; L101-I112 HydrophobicContact CD1-CG1 4.43Å |
| 102 | D | 92.1 | Very high | 92.8 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | trans | -107 | 73.1 | 177.5 | 178.6 | 30.4 | 0 | 0 | 0 | 109.5 | V41 N43 R44 K72 | V41-D102 WeakPolarHBondContact O-CB 3.18Å; N43-D102 PolarHBondContact N-OD2 2.68Å; R44-D102 HydrophobicContact CG-CB 3.7Å; R44-D102 WeakPolarHBondContact CG-OD2 3.42Å; K72-D102 WeakPolarHBondContact CA-O 3.44Å; K72-D102 WeakPolarHBondContact CB-O 3.19Å; K72-D102 WeakPolarHBondContact CE-OD2 3.32Å; K72-D102 WeakPolarHBondContact CG-O 3.32Å; K72-D102 IonicContact NZ-OD1 2.92Å; K72-D102 PolarHBondContact NZ-OD1 3.02Å; K72-D102 IonicContact NZ-OD2 3.58Å; K72-D102 PolarHBondContact NZ-OD2 2.99Å | ||
| 103 | T | 91 | Very high | 92.9 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | trans | -103.5 | 151.7 | -176.6 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | V41 K72 L101 E105 V107 | V41-T103 HydrophobicContact CG1-CG2 3.59Å; K72-T103 CarbonylContact O-C 3.5Å; K72-T103 WeakPolarHBondContact O-CA 3.3Å; L101-T103 HydrophobicContact CB-CG2 4.23Å; T103-E105 WeakPolarHBondContact CB-O 3.46Å; T103-E105 PolarHBondContact OG1-O 3.12Å; T103-V107 HydrophobicContact CG2-CB 4.43Å; T103-V107 HydrophobicContact CG2-CG2 3.78Å | ||
| 104 | C | 89.5 | Confident | 92.9 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -69.3 | -38.7 | 172.5 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | K72 | K72-C104 PolarHBondContact O-N 2.9Š|
| 105 | E | 87.2 | Confident | 92.9 | Very high | 144 Ų | 144 | 47.6 Ų | 47.6 | 67% | 0.673 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -108.9 | 152.9 | 178.5 | -64.5 | -58.9 | 144.4 | 0 | 0 | 110.7 | T103 V107 | T103-E105 WeakPolarHBondContact CB-O 3.46Å; T103-E105 PolarHBondContact OG1-O 3.12Å; E105-V107 PolarHBondContact O-N 3.42Å |
| 106 | P | 86.6 | Confident | 92.9 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 79% | 0.786 | 27% | 0.269 | S | S | * | . | trans | -59.3 | 124.7 | 173.4 | -21.7 | 33.1 | 0 | 0 | 0 | 111.5 | ||||
| 107 | V | 90 | Very high | 92.7 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -114.7 | 136.7 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L79 L101 T103 E105 T109 I112 | L79-V107 HydrophobicContact CD2-CG1 4.34Å; L101-V107 HydrophobicContact CD1-CB 4.44Å; L101-V107 HydrophobicContact CD1-CG1 4.15Å; T103-V107 HydrophobicContact CG2-CB 4.43Å; T103-V107 HydrophobicContact CG2-CG2 3.78Å; E105-V107 PolarHBondContact O-N 3.42Å; V107-T109 PolarHBondContact O-N 3.44Å; V107-I112 HydrophobicContact CG1-CD1 4.11Å; V107-I112 HydrophobicContact CG1-CG1 3.72Å | ||
| 108 | D | 93.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | trans | -68.3 | 94.7 | 172.1 | -174.8 | -10.9 | 0 | 0 | 0 | 109.9 | E110 L111 I112 | D108-E110 PolarHBondContact O-N 2.96Å; D108-E110 WeakPolarHBondContact OD1-CA 3.13Å; D108-E110 WeakPolarHBondContact OD1-CB 3.48Å; D108-E110 PolarHBondContact OD1-N 3.18Å; D108-L111 HydrophobicContact CB-CB 3.9Å; D108-L111 WeakPolarHBondContact O-CB 3.16Å; D108-L111 PolarHBondContact O-N 3.46Å; D108-L111 PolarHBondContact OD1-N 3.48Å; D108-L111 VanDerWaalsContact OD1-N 3.13Å; D108-I112 WeakPolarHBondContact O-CG1 3.48Å; D108-I112 PolarHBondContact O-N 3Å | ||
| 109 | T | 92.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -30.8 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | L99 L101 V107 I112 V113 | L99-T109 HydrophobicContact CD1-CG2 3.95Å; L99-T109 HydrophobicContact CD2-CG2 3.32Å; L99-T109 HydrophobicContact CG-CG2 4.28Å; L101-T109 HydrophobicContact CD1-CG2 4.39Å; V107-T109 PolarHBondContact O-N 3.44Å; T109-I112 PolarHBondContact O-N 2.96Å; T109-V113 HydrophobicContact CG2-CG2 4.39Å; T109-V113 WeakPolarHBondContact O-CG2 3.15Å; T109-V113 PolarHBondContact O-N 2.91Å |
| 110 | E | 92.5 | Very high | 92.8 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | -179.7 | -172.7 | 158.2 | -152 | 0 | 0 | 110.4 | D108 I112 V113 N114 I127 R173 | D108-E110 PolarHBondContact O-N 2.96Å; D108-E110 WeakPolarHBondContact OD1-CA 3.13Å; D108-E110 WeakPolarHBondContact OD1-CB 3.48Å; D108-E110 PolarHBondContact OD1-N 3.18Å; E110-I112 PolarHBondContact O-N 3.16Å; E110-V113 PolarHBondContact O-N 3.1Å; E110-N114 WeakPolarHBondContact CG-ND2 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 PolarHBondContact O-N 3.05Å; E110-N114 PolarHBondContact O-ND2 3.19Å; E110-I127 HydrophobicContact CG-CD1 4.48Å; E110-R173 IonicContact OE1-CZ 2.74Å; E110-R173 IonicContact OE1-NH1 3.86Å; E110-R173 PolarHBondContact OE1-NH1 2.98Å; E110-R173 VanDerWaalsContact OE1-NH1 3.11Å; E110-R173 IonicContact OE2-CZ 2.75Å; E110-R173 IonicContact OE2-NH1 2.74Å; E110-R173 PolarHBondContact OE2-NH1 2.89Å; E110-R173 IonicContact OE2-NH2 3.72Å |
| 111 | L | 95.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 51 Ų | 51 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 172.1 | 179.1 | 61.8 | 0 | 0 | 0 | 112.1 | I80 D108 N114 T115 | I80-L111 HydrophobicContact CD1-CD2 3.89Å; I80-L111 HydrophobicContact CD1-CG 4.15Å; D108-L111 HydrophobicContact CB-CB 3.9Å; D108-L111 WeakPolarHBondContact O-CB 3.16Å; D108-L111 PolarHBondContact O-N 3.46Å; D108-L111 PolarHBondContact OD1-N 3.48Å; D108-L111 VanDerWaalsContact OD1-N 3.13Å; L111-N114 PolarHBondContact O-N 3.15Å; L111-T115 PolarHBondContact O-N 3.45Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 3.38Å |
| 112 | I | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 179.5 | -57.2 | -53.9 | 0 | 0 | 0 | 111.2 | L79 I80 V83 V97 L101 V107 D108 T109 E110 N114 T115 | L79-I112 HydrophobicContact CB-CD1 4.22Å; L79-I112 HydrophobicContact CD2-CB 4.46Å; L79-I112 HydrophobicContact CD2-CD1 3.79Å; L79-I112 HydrophobicContact CD2-CG1 3.72Å; L79-I112 HydrophobicContact CD2-CG2 3.89Å; L79-I112 HydrophobicContact CG-CD1 3.9Å; L79-I112 HydrophobicContact CG-CG1 4.25Å; L79-I112 HydrophobicContact CG-CG2 3.9Å; I80-I112 HydrophobicContact CD1-CD1 4.16Å; I80-I112 HydrophobicContact CG1-CD1 3.46Å; I80-I112 VanDerWaalsContact CG1-CD1 3.46Å; V83-I112 HydrophobicContact CG2-CG2 4.3Å; V97-I112 HydrophobicContact CG1-CG2 4.14Å; V97-I112 HydrophobicContact CG2-CG2 4Å; L101-I112 HydrophobicContact CD1-CG1 4.43Å; V107-I112 HydrophobicContact CG1-CD1 4.11Å; V107-I112 HydrophobicContact CG1-CG1 3.72Å; D108-I112 WeakPolarHBondContact O-CG1 3.48Å; D108-I112 PolarHBondContact O-N 3Å; T109-I112 PolarHBondContact O-N 2.96Å; E110-I112 PolarHBondContact O-N 3.16Å; I112-N114 VanDerWaalsContact C-N 3.32Å; I112-N114 PolarHBondContact O-N 2.95Å; I112-T115 VanDerWaalsContact O-CB 3.28Å; I112-T115 WeakPolarHBondContact O-CB 3.47Å; I112-T115 PolarHBondContact O-N 2.95Å; I112-T115 VanDerWaalsContact O-N 3.1Å |
| 113 | V | 95.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 179.5 | 170 | 0 | 0 | 0 | 0 | 111 | V97 L99 T109 E110 T115 I116 L125 T126 | V97-V113 HydrophobicContact CB-CG2 4.48Å; L99-V113 HydrophobicContact CD1-CG2 4.43Å; T109-V113 HydrophobicContact CG2-CG2 4.39Å; T109-V113 WeakPolarHBondContact O-CG2 3.15Å; T109-V113 PolarHBondContact O-N 2.91Å; E110-V113 PolarHBondContact O-N 3.1Å; V113-T115 PolarHBondContact O-N 3.33Å; V113-I116 WeakPolarHBondContact O-CB 3.29Å; V113-I116 WeakPolarHBondContact O-CG1 3.33Å; V113-I116 PolarHBondContact O-N 3.04Å; V113-I116 VanDerWaalsContact O-N 3.12Å; V113-L125 HydrophobicContact CG1-CB 3.71Å; V113-T126 WeakPolarHBondContact O-CG2 3.34Å |
| 114 | N | 96.7 | Very high | 94 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3.5 | 177.8 | -74.8 | -73.6 | 0 | 0 | 0 | 114.5 | E110 L111 I112 I116 I127 | E110-N114 WeakPolarHBondContact CG-ND2 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 PolarHBondContact O-N 3.05Å; E110-N114 PolarHBondContact O-ND2 3.19Å; L111-N114 PolarHBondContact O-N 3.15Å; I112-N114 VanDerWaalsContact C-N 3.32Å; I112-N114 PolarHBondContact O-N 2.95Å; N114-I116 VanDerWaalsContact C-N 3.3Å; N114-I127 WeakPolarHBondContact ND2-CD1 3.36Å; N114-I127 WeakPolarHBondContact OD1-CB 3.44Å; N114-I127 VanDerWaalsContact OD1-CG1 3.3Å; N114-I127 WeakPolarHBondContact OD1-CG1 3.42Å; N114-I127 PolarHBondContact OD1-N 3.02Å |
| 115 | T | 97.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.9 | 168 | -57.3 | 0 | 0 | 0 | 0 | 111 | I80 V83 K84 N87 L111 I112 V113 E117 | I80-T115 HydrophobicContact CG2-CG2 4.06Å; V83-T115 HydrophobicContact CB-CG2 3.98Å; V83-T115 HydrophobicContact CG1-CG2 3.76Å; K84-T115 HydrophobicContact CG-CG2 3.79Å; N87-T115 PolarHBondContact ND2-O 3.02Å; L111-T115 PolarHBondContact O-N 3.45Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 3.38Å; I112-T115 VanDerWaalsContact O-CB 3.28Å; I112-T115 WeakPolarHBondContact O-CB 3.47Å; I112-T115 PolarHBondContact O-N 2.95Å; I112-T115 VanDerWaalsContact O-N 3.1Å; V113-T115 PolarHBondContact O-N 3.33Å; T115-E117 PolarHBondContact O-N 3.46Å |
| 116 | I | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -64.8 | 131.6 | 176.1 | -61 | 166 | 0 | 0 | 0 | 109.4 | V83 I95 V97 V113 N114 K120 D121 T126 | V83-I116 HydrophobicContact CG1-CG1 3.79Å; I95-I116 HydrophobicContact CB-CD1 4.36Å; I95-I116 HydrophobicContact CB-CG1 4.22Å; I95-I116 HydrophobicContact CB-CG2 3.99Å; I95-I116 HydrophobicContact CD1-CG2 4.36Å; I95-I116 HydrophobicContact CG2-CD1 4.03Å; I95-I116 HydrophobicContact CG2-CG1 3.89Å; V97-I116 HydrophobicContact CG2-CD1 4.02Å; V113-I116 WeakPolarHBondContact O-CB 3.29Å; V113-I116 WeakPolarHBondContact O-CG1 3.33Å; V113-I116 PolarHBondContact O-N 3.04Å; V113-I116 VanDerWaalsContact O-N 3.12Å; N114-I116 VanDerWaalsContact C-N 3.3Å; I116-K120 HydrophobicContact CG2-CB 4.26Å; I116-D121 HydrophobicContact CG2-CB 3.94Å; I116-T126 HydrophobicContact CB-CG2 4.31Å |
| 117 | E | 94.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | trans | -59.7 | 131.3 | 172.9 | -175 | 171.4 | -162.6 | 0 | 0 | 109.9 | N87 T115 A119 K120 D121 | N87-E117 HydrophobicContact CB-CB 4.5Å; N87-E117 PolarHBondContact OD1-N 2.81Å; T115-E117 PolarHBondContact O-N 3.46Å; E117-A119 PolarHBondContact O-N 2.86Å; E117-K120 HydrophobicContact CB-CB 4.5Å; E117-K120 HydrophobicContact CB-CG 4.44Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CA 3.39Å; E117-K120 PolarHBondContact O-N 3.34Å; E117-D121 PolarHBondContact O-N 3.08Å; E117-D121 VanDerWaalsContact O-N 3.1Å | ||
| 118 | P | 94.6 | Very high | 95.4 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.7 | -174.1 | -29.6 | 35.8 | 0 | 0 | 0 | 115 | K120 L128 N129 | P118-K120 VanDerWaalsContact C-N 3.3Å; P118-L128 HydrophobicContact CB-CB 4.38Å; P118-L128 HydrophobicContact CB-CD2 3.71Å; P118-L128 HydrophobicContact CB-CG 4.46Å; P118-L128 HydrophobicContact CG-CB 4.09Å; P118-L128 HydrophobicContact CG-CD2 3.47Å; P118-L128 VanDerWaalsContact CG-CD2 3.47Å; P118-L128 HydrophobicContact CG-CG 4.36Å; P118-N129 PolarHBondContact O-ND2 3.16Å |
| 119 | A | 92.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 45% | 0.446 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -21.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | E117 M142 | E117-A119 PolarHBondContact O-N 2.86Å; A119-M142 WeakPolarHBondContact O-CE 3.4Å |
| 120 | K | 95.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -2.8 | 177.6 | -59.3 | -170 | 179 | -163.7 | 0 | 113.3 | N87 D89 V92 H93 G94 I95 I116 E117 P118 V122 | N87-K120 WeakPolarHBondContact O-CE 3.24Å; N87-K120 PolarHBondContact O-NZ 3.3Å; D89-K120 PolarHBondContact O-NZ 3.17Å; V92-K120 WeakPolarHBondContact O-CD 3.37Å; V92-K120 WeakPolarHBondContact O-CE 3.46Å; V92-K120 PolarHBondContact O-NZ 3.29Å; H93-K120 WeakPolarHBondContact O-CA 3.38Å; G94-K120 CarbonylContact C-O 3.53Å; G94-K120 WeakPolarHBondContact CA-O 3.24Å; I95-K120 HydrophobicContact CD1-CB 4.19Å; I95-K120 HydrophobicContact CD1-CD 4.07Å; I95-K120 HydrophobicContact CG1-CB 4.31Å; I95-K120 PolarHBondContact N-O 2.87Å; I116-K120 HydrophobicContact CG2-CB 4.26Å; E117-K120 HydrophobicContact CB-CB 4.5Å; E117-K120 HydrophobicContact CB-CG 4.44Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CA 3.39Å; E117-K120 PolarHBondContact O-N 3.34Å; P118-K120 VanDerWaalsContact C-N 3.3Å; K120-V122 PolarHBondContact O-N 3.42Å |
| 121 | D | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -75.5 | 70.4 | 177.1 | 172.3 | 32.5 | 0 | 0 | 0 | 111.3 | I116 E117 D123 G124 L125 T126 N129 M142 | I116-D121 HydrophobicContact CG2-CB 3.94Å; E117-D121 PolarHBondContact O-N 3.08Å; E117-D121 VanDerWaalsContact O-N 3.1Å; D121-D123 PolarHBondContact O-N 2.82Å; D121-G124 PolarHBondContact O-N 3.07Å; D121-G124 PolarHBondContact OD1-N 2.83Å; D121-G124 VanDerWaalsContact OD2-C 3.28Å; D121-G124 WeakPolarHBondContact OD2-CA 3.21Å; D121-L125 VanDerWaalsContact CG-N 3.34Å; D121-L125 PolarHBondContact OD1-N 3.49Å; D121-L125 PolarHBondContact OD2-N 2.94Å; D121-T126 HydrophobicContact CB-CG2 3.71Å; D121-T126 VanDerWaalsContact CG-CG2 3.5Å; D121-T126 VanDerWaalsContact OD2-CB 3.29Å; D121-T126 WeakPolarHBondContact OD2-CB 3.5Å; D121-T126 VanDerWaalsContact OD2-CG2 3.31Å; D121-T126 WeakPolarHBondContact OD2-CG2 3.48Å; D121-T126 PolarHBondContact OD2-N 3.37Å; D121-T126 PolarHBondContact OD2-OG1 3.22Å; D121-N129 WeakPolarHBondContact CB-ND2 3.24Å; D121-N129 PolarHBondContact OD2-ND2 3.23Å; D121-M142 WeakPolarHBondContact O-CB 3.36Å; D121-M142 WeakPolarHBondContact O-CG 3.28Å | ||
| 122 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.9 | -176.2 | -67.8 | 0 | 0 | 0 | 0 | 113.4 | L36 I96 K120 C145 L277 N280 A284 | L36-V122 HydrophobicContact CD1-CG2 3.84Å; I96-V122 HydrophobicContact CG2-CG2 3.7Å; K120-V122 PolarHBondContact O-N 3.42Å; V122-C145 PolarHBondContact O-SG 3.1Å; V122-L277 HydrophobicContact CB-CD1 4.04Å; V122-L277 HydrophobicContact CG2-CD1 3.52Å; V122-N280 HydrophobicContact CB-CB 3.9Å; V122-N280 HydrophobicContact CG1-CB 4.19Å; V122-N280 VanDerWaalsContact O-CB 3.3Å; V122-N280 WeakPolarHBondContact O-CB 3.4Å; V122-N280 PolarHBondContact O-ND2 3.48Å; V122-A284 HydrophobicContact CG1-CB 4.3Å |
| 123 | D | 95.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14 | 171.3 | -148 | 14.7 | 0 | 0 | 0 | 112.3 | I96 D121 L125 P144 | I96-D123 HydrophobicContact CG2-CB 4.02Å; D121-D123 PolarHBondContact O-N 2.82Å; D123-L125 HydrophobicContact CB-CD1 4.17Å; D123-L125 HydrophobicContact CB-CG 3.99Å; D123-L125 VanDerWaalsContact OD2-CD1 3.28Å; D123-L125 WeakPolarHBondContact OD2-CD1 3.43Å; D123-P144 VanDerWaalsContact O-CA 3.29Å; D123-P144 WeakPolarHBondContact O-CA 3.45Å |
| 124 | G | 96.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | 71.2 | 29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D121 M142 P144 | D121-G124 PolarHBondContact O-N 3.07Å; D121-G124 PolarHBondContact OD1-N 2.83Å; D121-G124 VanDerWaalsContact OD2-C 3.28Å; D121-G124 WeakPolarHBondContact OD2-CA 3.21Å; G124-M142 VanDerWaalsContact CA-O 3.29Å; G124-M142 WeakPolarHBondContact CA-O 3.24Å; G124-P144 WeakPolarHBondContact O-CG 3.38Å | ||
| 125 | L | 95.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | trans | -102.5 | -6.3 | -169.4 | -60.1 | -174.3 | 0 | 0 | 0 | 114.8 | V113 D121 D123 I174 | V113-L125 HydrophobicContact CG1-CB 3.71Å; D121-L125 VanDerWaalsContact CG-N 3.34Å; D121-L125 PolarHBondContact OD1-N 3.49Å; D121-L125 PolarHBondContact OD2-N 2.94Å; D123-L125 HydrophobicContact CB-CD1 4.17Å; D123-L125 HydrophobicContact CB-CG 3.99Å; D123-L125 VanDerWaalsContact OD2-CD1 3.28Å; D123-L125 WeakPolarHBondContact OD2-CD1 3.43Å; L125-I174 HydrophobicContact CD2-CB 4.43Å; L125-I174 HydrophobicContact CD2-CG1 4.17Å; L125-I174 HydrophobicContact CD2-CG2 4.16Å | ||
| 126 | T | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -67.7 | 151.5 | 173.8 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | V113 I116 D121 L128 N129 A130 | V113-T126 WeakPolarHBondContact O-CG2 3.34Å; I116-T126 HydrophobicContact CB-CG2 4.31Å; D121-T126 HydrophobicContact CB-CG2 3.71Å; D121-T126 VanDerWaalsContact CG-CG2 3.5Å; D121-T126 VanDerWaalsContact OD2-CB 3.29Å; D121-T126 WeakPolarHBondContact OD2-CB 3.5Å; D121-T126 VanDerWaalsContact OD2-CG2 3.31Å; D121-T126 WeakPolarHBondContact OD2-CG2 3.48Å; D121-T126 PolarHBondContact OD2-N 3.37Å; D121-T126 PolarHBondContact OD2-OG1 3.22Å; T126-L128 PolarHBondContact O-N 2.87Å; T126-N129 PolarHBondContact O-N 3.08Å; T126-N129 PolarHBondContact OG1-N 3.02Å; T126-N129 PolarHBondContact OG1-ND2 3.22Å; T126-A130 WeakPolarHBondContact O-CB 3.18Å; T126-A130 PolarHBondContact O-N 2.97Å |
| 127 | I | 96.3 | Very high | 96 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 177.5 | -68.6 | 165.8 | 0 | 0 | 0 | 110.7 | E110 N114 G131 | E110-I127 HydrophobicContact CG-CD1 4.48Å; N114-I127 WeakPolarHBondContact ND2-CD1 3.36Å; N114-I127 WeakPolarHBondContact OD1-CB 3.44Å; N114-I127 VanDerWaalsContact OD1-CG1 3.3Å; N114-I127 WeakPolarHBondContact OD1-CG1 3.42Å; N114-I127 PolarHBondContact OD1-N 3.02Å; I127-G131 PolarHBondContact O-N 3.09Å |
| 128 | L | 96.2 | Very high | 96 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -49 | 178.9 | -172.4 | 65.2 | 0 | 0 | 0 | 111.5 | P118 T126 G131 R132 | P118-L128 HydrophobicContact CB-CB 4.38Å; P118-L128 HydrophobicContact CB-CD2 3.71Å; P118-L128 HydrophobicContact CB-CG 4.46Å; P118-L128 HydrophobicContact CG-CB 4.09Å; P118-L128 HydrophobicContact CG-CD2 3.47Å; P118-L128 VanDerWaalsContact CG-CD2 3.47Å; P118-L128 HydrophobicContact CG-CG 4.36Å; T126-L128 PolarHBondContact O-N 2.87Å; L128-G131 PolarHBondContact O-N 2.84Å; L128-R132 WeakPolarHBondContact O-CG 3.39Å; L128-R132 PolarHBondContact O-N 3.12Å |
| 129 | N | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 178.3 | -78.3 | -41.6 | 0 | 0 | 0 | 112.3 | P118 D121 T126 G131 R132 L133 M142 | P118-N129 PolarHBondContact O-ND2 3.16Å; D121-N129 WeakPolarHBondContact CB-ND2 3.24Å; D121-N129 PolarHBondContact OD2-ND2 3.23Å; T126-N129 PolarHBondContact O-N 3.08Å; T126-N129 PolarHBondContact OG1-N 3.02Å; T126-N129 PolarHBondContact OG1-ND2 3.22Å; N129-G131 VanDerWaalsContact C-N 3.28Å; N129-G131 PolarHBondContact O-N 2.98Å; N129-R132 PolarHBondContact O-N 3.43Å; N129-L133 PolarHBondContact O-N 3.2Å; N129-M142 HydrophobicContact CB-CB 4.45Å; N129-M142 PolarHBondContact OD1-N 3.32Å; N129-M142 VanDerWaalsContact OD1-N 3.12Å |
| 130 | A | 96 | Very high | 95.6 | Very high | 46 Ų | 46 | 51 Ų | 51 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T126 A134 | T126-A130 WeakPolarHBondContact O-CB 3.18Å; T126-A130 PolarHBondContact O-N 2.97Å; A130-A134 WeakPolarHBondContact O-CB 3.47Å; A130-A134 PolarHBondContact O-N 3.41Å |
| 131 | G | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I127 L128 N129 A134 R135 | I127-G131 PolarHBondContact O-N 3.09Å; L128-G131 PolarHBondContact O-N 2.84Å; N129-G131 VanDerWaalsContact C-N 3.28Å; N129-G131 PolarHBondContact O-N 2.98Å; G131-A134 PolarHBondContact O-N 3.03Å; G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 WeakPolarHBondContact O-CG 3.34Å; G131-R135 PolarHBondContact O-N 3.26Å |
| 132 | R | 97.1 | Very high | 95.4 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 174.6 | -73.6 | -179.7 | 171.3 | 156.2 | 1.1 | 111.4 | L128 N129 A134 R135 G136 D137 D140 A141 | L128-R132 WeakPolarHBondContact O-CG 3.39Å; L128-R132 PolarHBondContact O-N 3.12Å; N129-R132 PolarHBondContact O-N 3.43Å; R132-A134 PolarHBondContact O-N 3.48Å; R132-R135 CarbonylContact O-C 3.43Å; R132-R135 PolarHBondContact O-N 3.42Å; R132-R135 VanDerWaalsContact O-N 3.12Å; R132-G136 PolarHBondContact O-N 2.78Å; R132-D137 HydrophobicContact CB-CB 4.09Å; R132-D137 HydrophobicContact CG-CB 4.42Å; R132-D137 IonicContact NE-OD2 3.36Å; R132-D137 PolarHBondContact O-N 3.41Å; R132-D140 WeakPolarHBondContact CD-O 3.43Å; R132-D140 PolarHBondContact NH1-O 3.4Å; R132-A141 HydrophobicContact CB-CB 3.71Å |
| 133 | L | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 175.2 | 173.6 | 59.9 | 0 | 0 | 0 | 111.7 | N129 R135 G136 L138 P144 P178 D181 L182 W185 | N129-L133 PolarHBondContact O-N 3.2Å; L133-R135 PolarHBondContact O-N 2.94Å; L133-G136 PolarHBondContact O-N 3.22Å; L133-G136 VanDerWaalsContact O-N 3.12Å; L133-L138 HydrophobicContact CD1-CD2 3.49Å; L133-L138 VanDerWaalsContact CD1-CD2 3.49Å; L133-P144 HydrophobicContact CD2-CG 4.24Å; L133-P178 HydrophobicContact CD2-CB 3.78Å; L133-D181 HydrophobicContact CG-CB 4.24Å; L133-L182 HydrophobicContact CD1-CB 4.17Å; L133-L182 HydrophobicContact CD1-CD1 4.03Å; L133-W185 VanDerWaalsContact O-CD1 3.26Å; L133-W185 PolarHBondContact O-NE1 3.01Å |
| 134 | A | 96.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -31.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A130 G131 R132 | A130-A134 WeakPolarHBondContact O-CB 3.47Å; A130-A134 PolarHBondContact O-N 3.41Å; G131-A134 PolarHBondContact O-N 3.03Å; R132-A134 PolarHBondContact O-N 3.48Å |
| 135 | R | 96.5 | Very high | 95.4 | Very high | 219 Ų | 219 | 51.7 Ų | 51.7 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -88.2 | -4.6 | 177.2 | -71.6 | -173.8 | 176.3 | -140.8 | 1 | 114.7 | G131 R132 L133 W185 | G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 WeakPolarHBondContact O-CG 3.34Å; G131-R135 PolarHBondContact O-N 3.26Å; R132-R135 CarbonylContact O-C 3.43Å; R132-R135 PolarHBondContact O-N 3.42Å; R132-R135 VanDerWaalsContact O-N 3.12Å; L133-R135 PolarHBondContact O-N 2.94Å; R135-W185 WeakPolarHBondContact O-CZ2 3.31Å |
| 136 | G | 95.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 11.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R132 L133 L138 W185 | R132-G136 PolarHBondContact O-N 2.78Å; L133-G136 PolarHBondContact O-N 3.22Å; L133-G136 VanDerWaalsContact O-N 3.12Å; G136-L138 PolarHBondContact O-N 2.78Å; G136-W185 VanDerWaalsContact CA-CD2 3.42Å; G136-W185 VanDerWaalsContact CA-NE1 3.29Å; G136-W185 VanDerWaalsContact N-CE2 3.25Å; G136-W185 VanDerWaalsContact N-CZ2 3.27Å |
| 137 | D | 95 | Very high | 95.4 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -78.6 | 66.6 | 172.1 | -178.1 | 12 | 0 | 0 | 0 | 109.7 | R132 V139 D140 A141 | R132-D137 HydrophobicContact CB-CB 4.09Å; R132-D137 HydrophobicContact CG-CB 4.42Å; R132-D137 IonicContact NE-OD2 3.36Å; R132-D137 PolarHBondContact O-N 3.41Å; D137-V139 PolarHBondContact O-N 3.46Å; D137-D140 PolarHBondContact OD1-N 3.01Å; D137-A141 WeakPolarHBondContact O-CB 3.46Å; D137-A141 PolarHBondContact O-N 2.87Å; D137-A141 VanDerWaalsContact O-N 3.12Å | ||
| 138 | L | 93.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.1 | -176.9 | -59.2 | -173.7 | 0 | 0 | 0 | 113 | L133 G136 L182 W185 | L133-L138 HydrophobicContact CD1-CD2 3.49Å; L133-L138 VanDerWaalsContact CD1-CD2 3.49Å; G136-L138 PolarHBondContact O-N 2.78Å; L138-L182 HydrophobicContact CD2-CD1 4.35Å; L138-W185 HydrophobicContact CD1-CB 3.91Å; L138-W185 HydrophobicContact CG-CB 4.47Å |
| 139 | V | 89.8 | Confident | 95.5 | Very high | 134 Ų | 134 | 42.8 Ų | 42.8 | 81% | 0.812 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -46 | 180 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | D137 | D137-V139 PolarHBondContact O-N 3.46Š|
| 140 | D | 88.2 | Confident | 95.5 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -5.9 | -178 | -62.4 | -34.7 | 0 | 0 | 0 | 113.4 | R132 D137 | R132-D140 WeakPolarHBondContact CD-O 3.43Å; R132-D140 PolarHBondContact NH1-O 3.4Å; D137-D140 PolarHBondContact OD1-N 3.01Å |
| 141 | A | 93.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -80.4 | 130.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R132 D137 I143 | R132-A141 HydrophobicContact CB-CB 3.71Å; D137-A141 WeakPolarHBondContact O-CB 3.46Å; D137-A141 PolarHBondContact O-N 2.87Å; D137-A141 VanDerWaalsContact O-N 3.12Å; A141-I143 PolarHBondContact O-N 3.31Å | ||
| 142 | M | 95.5 | Very high | 95.5 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | trans | -74.6 | 104.5 | 156.2 | -67 | -65.6 | 178.4 | 0 | 0 | 109.2 | A119 D121 G124 N129 N280 A284 | A119-M142 WeakPolarHBondContact O-CE 3.4Å; D121-M142 WeakPolarHBondContact O-CB 3.36Å; D121-M142 WeakPolarHBondContact O-CG 3.28Å; G124-M142 VanDerWaalsContact CA-O 3.29Å; G124-M142 WeakPolarHBondContact CA-O 3.24Å; N129-M142 HydrophobicContact CB-CB 4.45Å; N129-M142 PolarHBondContact OD1-N 3.32Å; N129-M142 VanDerWaalsContact OD1-N 3.12Å; M142-N280 HydrophobicContact SD-CB 4.28Å; M142-A284 HydrophobicContact CE-CB 3.85Å | ||
| 143 | I | 96.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | trans | -72.4 | 132.1 | -177 | -51.7 | 179.2 | 0 | 0 | 0 | 109.4 | A141 C145 N148 L182 N280 | A141-I143 PolarHBondContact O-N 3.31Å; I143-C145 PolarHBondContact O-N 3.24Å; I143-N148 HydrophobicContact CB-CB 4.36Å; I143-N148 HydrophobicContact CG2-CB 3.82Å; I143-L182 HydrophobicContact CD1-CD1 4.07Å; I143-L182 HydrophobicContact CG2-CD1 4.02Å; I143-L182 HydrophobicContact CG2-CD2 3.88Å; I143-N280 PolarHBondContact O-ND2 2.94Å | ||
| 144 | P | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | trans | -58.9 | 138 | -179.5 | -17.9 | 25.2 | 0 | 0 | 0 | 112.8 | D123 G124 L133 T146 P147 N148 P178 | D123-P144 VanDerWaalsContact O-CA 3.29Å; D123-P144 WeakPolarHBondContact O-CA 3.45Å; G124-P144 WeakPolarHBondContact O-CG 3.38Å; L133-P144 HydrophobicContact CD2-CG 4.24Å; P144-T146 PolarHBondContact O-N 2.65Å; P144-P147 HydrophobicContact CB-CG 4Å; P144-P147 WeakPolarHBondContact O-CD 3.37Å; P144-N148 WeakPolarHBondContact O-CB 3.39Å; P144-N148 PolarHBondContact O-N 3.12Å; P144-P178 HydrophobicContact CG-CB 3.88Å; P144-P178 HydrophobicContact CG-CG 4.26Å | ||
| 145 | C | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | -164.6 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | V122 I143 G149 T273 M276 L277 | V122-C145 PolarHBondContact O-SG 3.1Å; I143-C145 PolarHBondContact O-N 3.24Å; C145-G149 PolarHBondContact O-N 3.03Å; C145-T273 HydrophobicContact CB-CG2 3.88Å; C145-T273 WeakPolarHBondContact CB-O 3.37Å; C145-M276 HydrophobicContact CB-CB 3.92Å; C145-M276 WeakPolarHBondContact O-CB 3.15Å; C145-M276 WeakPolarHBondContact O-CG 3.43Å; C145-L277 WeakPolarHBondContact SG-CA 3.37Å; C145-L277 PolarHBondContact SG-N 3.42Å; C145-L277 VanDerWaalsContact SG-N 3.42Å |
| 146 | T | 95.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.2 | -52.2 | -178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | P144 N148 G149 C150 V175 V269 T273 | P144-T146 PolarHBondContact O-N 2.65Å; T146-N148 VanDerWaalsContact C-N 3.32Å; T146-N148 PolarHBondContact O-N 2.93Å; T146-G149 PolarHBondContact O-N 3.43Å; T146-G149 VanDerWaalsContact O-N 3.15Å; T146-C150 PolarHBondContact O-N 3.25Å; T146-C150 PolarHBondContact O-SG 2.94Å; T146-V175 HydrophobicContact CG2-CB 4.42Å; T146-V175 HydrophobicContact CG2-CG1 3.89Å; T146-V175 HydrophobicContact CG2-CG2 3.69Å; T146-V269 HydrophobicContact CG2-CG1 3.61Å; T146-T273 WeakPolarHBondContact OG1-CG2 3.48Å; T146-T273 PolarHBondContact OG1-OG1 2.84Å |
| 147 | P | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.6 | -46.8 | 169.5 | -30.2 | 34.5 | 0 | 0 | 0 | 114.1 | P144 G149 C150 L151 I174 P178 A179 L182 | P144-P147 HydrophobicContact CB-CG 4Å; P144-P147 WeakPolarHBondContact O-CD 3.37Å; P147-G149 VanDerWaalsContact C-N 3.3Å; P147-G149 PolarHBondContact O-N 3.15Å; P147-C150 WeakPolarHBondContact O-CB 3.39Å; P147-C150 PolarHBondContact O-N 2.9Å; P147-C150 VanDerWaalsContact O-N 3.16Å; P147-L151 PolarHBondContact O-N 3Å; P147-I174 WeakPolarHBondContact CD-O 3.26Å; P147-I174 WeakPolarHBondContact CG-O 3.39Å; P147-P178 HydrophobicContact CB-CB 4.4Å; P147-P178 HydrophobicContact CG-CB 3.79Å; P147-A179 HydrophobicContact CB-CB 4.05Å; P147-A179 HydrophobicContact CG-CB 4.35Å; P147-L182 HydrophobicContact CB-CD2 4.14Å |
| 148 | N | 96.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 179.3 | -159.1 | 17.2 | 0 | 0 | 0 | 111.2 | I143 P144 T146 C150 L151 E152 M276 | I143-N148 HydrophobicContact CB-CB 4.36Å; I143-N148 HydrophobicContact CG2-CB 3.82Å; P144-N148 WeakPolarHBondContact O-CB 3.39Å; P144-N148 PolarHBondContact O-N 3.12Å; T146-N148 VanDerWaalsContact C-N 3.32Å; T146-N148 PolarHBondContact O-N 2.93Å; N148-C150 VanDerWaalsContact C-N 3.29Å; N148-C150 PolarHBondContact O-N 3.05Å; N148-L151 WeakPolarHBondContact O-CB 3.5Å; N148-L151 PolarHBondContact O-N 3Å; N148-E152 WeakPolarHBondContact O-CG 3.36Å; N148-E152 PolarHBondContact O-N 3.32Å; N148-M276 HydrophobicContact CB-CB 4.49Å; N148-M276 HydrophobicContact CB-CG 4.03Å; N148-M276 HydrophobicContact CB-SD 4.06Å; N148-M276 PolarHBondContact ND2-SD 3.45Å |
| 149 | G | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C145 T146 P147 E152 L153 | C145-G149 PolarHBondContact O-N 3.03Å; T146-G149 PolarHBondContact O-N 3.43Å; T146-G149 VanDerWaalsContact O-N 3.15Å; P147-G149 VanDerWaalsContact C-N 3.3Å; P147-G149 PolarHBondContact O-N 3.15Å; G149-E152 PolarHBondContact O-N 3.39Å; G149-L153 WeakPolarHBondContact O-CD1 3.47Å; G149-L153 VanDerWaalsContact O-CG 3.23Å; G149-L153 WeakPolarHBondContact O-CG 3.27Å; G149-L153 PolarHBondContact O-N 3.04Å |
| 150 | C | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 174.9 | -61 | 0 | 0 | 0 | 0 | 111.9 | T146 P147 N148 L153 L154 F183 L211 I232 | T146-C150 PolarHBondContact O-N 3.25Å; T146-C150 PolarHBondContact O-SG 2.94Å; P147-C150 WeakPolarHBondContact O-CB 3.39Å; P147-C150 PolarHBondContact O-N 2.9Å; P147-C150 VanDerWaalsContact O-N 3.16Å; N148-C150 VanDerWaalsContact C-N 3.29Å; N148-C150 PolarHBondContact O-N 3.05Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.16Å; C150-L154 WeakPolarHBondContact O-CG 3.4Å; C150-L154 PolarHBondContact O-N 2.9Å; C150-L154 VanDerWaalsContact O-N 3.12Å; C150-F183 HydrophobicContact CB-CZ 4.19Å; C150-L211 HydrophobicContact CB-CD1 3.68Å; C150-I232 HydrophobicContact CB-CG2 4.06Å |
| 151 | L | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.8 | 177 | 67.8 | 0 | 0 | 0 | 111.6 | P147 N148 L153 L154 K155 L161 L182 F183 H186 | P147-L151 PolarHBondContact O-N 3Å; N148-L151 WeakPolarHBondContact O-CB 3.5Å; N148-L151 PolarHBondContact O-N 3Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.99Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 3.2Å; L151-K155 HydrophobicContact CG-CD 4.39Å; L151-K155 WeakPolarHBondContact O-CG 3.39Å; L151-K155 PolarHBondContact O-N 3.37Å; L151-L161 HydrophobicContact CD1-CD1 4.36Å; L151-L161 HydrophobicContact CD1-CD2 3.84Å; L151-L182 HydrophobicContact CB-CD2 3.95Å; L151-L182 HydrophobicContact CD2-CD1 4.11Å; L151-L182 HydrophobicContact CD2-CD2 3.87Å; L151-L182 HydrophobicContact CD2-CG 3.97Å; L151-F183 HydrophobicContact CB-CE1 4.18Å; L151-F183 HydrophobicContact CD1-CD1 4.36Å; L151-F183 HydrophobicContact CD1-CE1 4.42Å; L151-H186 HydrophobicContact CD1-CB 4.45Å; L151-H186 WeakPolarHBondContact CD2-CE1 3.27Å; L151-H186 WeakPolarHBondContact CD2-NE2 3.49Å |
| 152 | E | 96.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 28.8 Ų | 28.8 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 178.7 | -69.8 | -57.6 | 124.7 | 0 | 0 | 112.5 | N148 G149 K155 S156 M272 M276 | N148-E152 WeakPolarHBondContact O-CG 3.36Å; N148-E152 PolarHBondContact O-N 3.32Å; G149-E152 PolarHBondContact O-N 3.39Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 WeakPolarHBondContact OE1-CD 3.29Å; E152-K155 IonicContact OE1-NZ 2.67Å; E152-K155 PolarHBondContact OE1-NZ 3.38Å; E152-S156 WeakPolarHBondContact O-CB 3.37Å; E152-S156 PolarHBondContact O-N 3.41Å; E152-M272 HydrophobicContact CB-CE 3.73Å; E152-M276 HydrophobicContact CG-CE 4.29Å; E152-M276 HydrophobicContact CG-SD 4.01Å |
| 153 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 170.9 | -75.3 | 164.7 | 0 | 0 | 0 | 111.6 | I5 L10 G149 C150 L151 S156 I232 T263 V269 M272 | I5-L153 HydrophobicContact CB-CD2 4.49Å; I5-L153 HydrophobicContact CG2-CB 4.1Å; I5-L153 HydrophobicContact CG2-CD2 3.48Å; I5-L153 VanDerWaalsContact CG2-CD2 3.48Å; I5-L153 HydrophobicContact CG2-CG 4.37Å; L10-L153 HydrophobicContact CD2-CD2 3.91Å; L10-L153 HydrophobicContact CD2-CG 4.32Å; G149-L153 WeakPolarHBondContact O-CD1 3.47Å; G149-L153 VanDerWaalsContact O-CG 3.23Å; G149-L153 WeakPolarHBondContact O-CG 3.27Å; G149-L153 PolarHBondContact O-N 3.04Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.16Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.99Å; L153-S156 PolarHBondContact O-N 3.46Å; L153-S156 PolarHBondContact O-OG 3.36Å; L153-I232 HydrophobicContact CB-CD1 4.3Å; L153-T263 HydrophobicContact CD1-CG2 4.01Å; L153-V269 HydrophobicContact CD1-CG2 4.03Å; L153-M272 HydrophobicContact CD1-CG 4.07Å; L153-M272 HydrophobicContact CD2-CG 3.94Å; L153-M272 HydrophobicContact CG-CG 3.91Å |
| 154 | L | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.1 | -66.1 | 169.9 | 0 | 0 | 0 | 111.9 | C150 L151 S156 I157 V159 L161 F183 I209 V230 I232 | C150-L154 WeakPolarHBondContact O-CG 3.4Å; C150-L154 PolarHBondContact O-N 2.9Å; C150-L154 VanDerWaalsContact O-N 3.12Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 3.2Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.02Å; L154-I157 WeakPolarHBondContact O-CG1 3.29Å; L154-I157 PolarHBondContact O-N 3.49Å; L154-V159 PolarHBondContact O-N 3.3Å; L154-L161 HydrophobicContact CB-CD1 4.1Å; L154-L161 HydrophobicContact CD1-CD1 4.21Å; L154-L161 HydrophobicContact CD1-CD2 4.39Å; L154-F183 HydrophobicContact CD1-CE1 4.01Å; L154-F183 HydrophobicContact CD1-CE2 4.44Å; L154-F183 HydrophobicContact CD1-CZ 3.82Å; L154-I209 HydrophobicContact CD1-CD1 4.38Å; L154-I209 HydrophobicContact CD1-CG2 3.98Å; L154-I209 HydrophobicContact CD2-CD1 4.33Å; L154-I209 HydrophobicContact CD2-CG2 3.73Å; L154-V230 HydrophobicContact CD2-CG1 3.6Å; L154-I232 HydrophobicContact CD2-CD1 4.01Å; L154-I232 HydrophobicContact CD2-CG1 4Å; L154-I232 HydrophobicContact CG-CD1 4.4Å; L154-I232 HydrophobicContact CG-CG1 4.34Å |
| 155 | K | 94.9 | Very high | 95.6 | Very high | 93 Ų | 93 | 35.1 Ų | 35.1 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.8 | -71.1 | 174.9 | -175.5 | 167.1 | 0 | 112.2 | L151 E152 I157 G158 | L151-K155 HydrophobicContact CG-CD 4.39Å; L151-K155 WeakPolarHBondContact O-CG 3.39Å; L151-K155 PolarHBondContact O-N 3.37Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 WeakPolarHBondContact OE1-CD 3.29Å; E152-K155 IonicContact OE1-NZ 2.67Å; E152-K155 PolarHBondContact OE1-NZ 3.38Å; K155-I157 PolarHBondContact O-N 3.2Å; K155-G158 PolarHBondContact O-N 3.12Å |
| 156 | S | 94.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 43% | 0.427 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -26.4 | -176.1 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | E152 L153 L154 | E152-S156 WeakPolarHBondContact O-CB 3.37Å; E152-S156 PolarHBondContact O-N 3.41Å; L153-S156 PolarHBondContact O-N 3.46Å; L153-S156 PolarHBondContact O-OG 3.36Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.02Å |
| 157 | I | 94.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 34 Ų | 34 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 7.4 | 177.2 | 58.8 | 166.1 | 0 | 0 | 0 | 112.6 | I5 L154 K155 V159 V230 F261 | I5-I157 HydrophobicContact CD1-CD1 3.92Å; I5-I157 HydrophobicContact CG1-CD1 4.45Å; I5-I157 HydrophobicContact CG1-CG2 4.22Å; I5-I157 HydrophobicContact CG2-CG2 4.11Å; L154-I157 WeakPolarHBondContact O-CG1 3.29Å; L154-I157 PolarHBondContact O-N 3.49Å; K155-I157 PolarHBondContact O-N 3.2Å; I157-V159 HydrophobicContact CD1-CG2 3.55Å; I157-V159 HydrophobicContact CG1-CB 4.35Å; I157-V159 HydrophobicContact CG1-CG2 3.71Å; I157-V230 HydrophobicContact CD1-CG1 3.92Å; I157-V230 HydrophobicContact CD1-CG2 4.3Å; I157-F261 HydrophobicContact CB-CD1 4.26Å; I157-F261 HydrophobicContact CB-CE1 4.07Å; I157-F261 HydrophobicContact CB-CZ 4.37Å; I157-F261 HydrophobicContact CD1-CB 3.96Å; I157-F261 HydrophobicContact CD1-CD1 4.03Å; I157-F261 HydrophobicContact CD1-CD2 3.92Å; I157-F261 HydrophobicContact CD1-CE2 4.42Å; I157-F261 HydrophobicContact CD1-CG 3.71Å; I157-F261 HydrophobicContact CG2-CD1 3.91Å; I157-F261 HydrophobicContact CG2-CE1 3.94Å |
| 158 | G | 91.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 34 Ų | 34 | 69% | 0.691 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 21.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K155 D160 | K155-G158 PolarHBondContact O-N 3.12Å; G158-D160 PolarHBondContact O-N 2.68Å |
| 159 | V | 90.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | trans | -78.8 | 116.9 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | L154 I157 L161 I209 V230 | L154-V159 PolarHBondContact O-N 3.3Å; I157-V159 HydrophobicContact CD1-CG2 3.55Å; I157-V159 HydrophobicContact CG1-CB 4.35Å; I157-V159 HydrophobicContact CG1-CG2 3.71Å; V159-L161 HydrophobicContact CG1-CD1 4.5Å; V159-I209 HydrophobicContact CG1-CD1 3.56Å; V159-I209 HydrophobicContact CG1-CG1 4.32Å; V159-V230 HydrophobicContact CG2-CG2 4.16Å | ||
| 160 | D | 92.2 | Very high | 95.8 | Very high | 113 Ų | 113 | 33.3 Ų | 33.3 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | trans | -79.8 | 124.3 | 165.2 | -174.9 | 8.1 | 0 | 0 | 0 | 109.6 | G158 A162 K164 | G158-D160 PolarHBondContact O-N 2.68Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 3.42Å; D160-K164 WeakPolarHBondContact O-CG 3.48Å | ||
| 161 | L | 95.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -77.5 | -19.6 | -179.7 | -85 | 74.2 | 0 | 0 | 0 | 112 | L151 L154 V159 G163 K164 F183 H186 A188 I209 | L151-L161 HydrophobicContact CD1-CD1 4.36Å; L151-L161 HydrophobicContact CD1-CD2 3.84Å; L154-L161 HydrophobicContact CB-CD1 4.1Å; L154-L161 HydrophobicContact CD1-CD1 4.21Å; L154-L161 HydrophobicContact CD1-CD2 4.39Å; V159-L161 HydrophobicContact CG1-CD1 4.5Å; L161-G163 PolarHBondContact O-N 2.85Å; L161-G163 VanDerWaalsContact O-N 3.16Å; L161-K164 WeakPolarHBondContact O-CB 3.49Å; L161-K164 PolarHBondContact O-N 3.2Å; L161-F183 HydrophobicContact CD2-CB 4.16Å; L161-F183 HydrophobicContact CD2-CD1 3.77Å; L161-F183 HydrophobicContact CD2-CE1 4.42Å; L161-F183 HydrophobicContact CD2-CG 4.05Å; L161-H186 HydrophobicContact CB-CB 4.26Å; L161-H186 WeakPolarHBondContact CB-O 3.29Å; L161-H186 HydrophobicContact CD2-CB 3.89Å; L161-A188 HydrophobicContact CB-CB 4.31Å; L161-A188 WeakPolarHBondContact O-CA 3.3Å; L161-I209 HydrophobicContact CG-CD1 4.22Å | ||
| 162 | A | 96.8 | Very high | 95.3 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | D160 K164 N187 | D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 3.42Å; A162-K164 PolarHBondContact O-N 3.46Å; A162-K164 VanDerWaalsContact O-N 3.12Å; A162-N187 WeakPolarHBondContact CA-O 3.28Å; A162-N187 HydrophobicContact CB-CB 4.02Å |
| 163 | G | 94.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -2.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L161 N187 | L161-G163 PolarHBondContact O-N 2.85Å; L161-G163 VanDerWaalsContact O-N 3.16Å; G163-N187 PolarHBondContact N-O 2.89Å |
| 164 | K | 97.2 | Very high | 94.5 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | trans | -71.5 | 144 | 174.7 | -64.8 | -61.5 | -174.6 | -177 | 0 | 110.7 | D160 L161 A162 C166 T189 D208 I209 | D160-K164 WeakPolarHBondContact O-CG 3.48Å; L161-K164 WeakPolarHBondContact O-CB 3.49Å; L161-K164 PolarHBondContact O-N 3.2Å; A162-K164 PolarHBondContact O-N 3.46Å; A162-K164 VanDerWaalsContact O-N 3.12Å; K164-C166 PolarHBondContact O-N 3.02Å; K164-T189 PolarHBondContact O-N 3.44Å; K164-D208 HydrophobicContact CB-CB 4.21Å; K164-D208 HydrophobicContact CD-CB 3.97Å; K164-I209 HydrophobicContact CB-CD1 4.26Å | ||
| 165 | H | 98.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.9 | 172.4 | -170.2 | -155.2 | 0 | 0 | 0 | 110.4 | T189 T191 T206 D208 I209 | H165-T189 CarbonylContact C-O 3.52Å; H165-T189 WeakPolarHBondContact CA-O 3.36Å; H165-T189 PolarHBondContact CD2-O 3.15Å; H165-T191 PolarHBondContact NE2-OG1 3.12Å; H165-T206 PolarHBondContact CE1-OG1 3.42Å; H165-T206 PolarHBondContact ND1-O 3.35Å; H165-T206 PolarHBondContact ND1-OG1 3.15Å; H165-D208 PolarHBondContact N-OD2 3.42Å; H165-D208 PolarHBondContact O-N 3.22Å; H165-I209 PolarHBondContact O-N 3.43Å |
| 166 | C | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.3 | 175.2 | -69.8 | 0 | 0 | 0 | 0 | 110.4 | K164 F183 A188 T189 V190 T191 I209 | K164-C166 PolarHBondContact O-N 3.02Å; C166-F183 HydrophobicContact CB-CD2 4.13Å; C166-A188 HydrophobicContact CB-CB 4.14Å; C166-A188 VanDerWaalsContact SG-CB 3.53Å; C166-T189 PolarHBondContact N-O 3.31Å; C166-V190 HydrophobicContact CB-CG2 4.26Å; C166-V190 CarbonylContact O-C 3.58Å; C166-V190 VanDerWaalsContact O-CA 3.31Å; C166-V190 WeakPolarHBondContact O-CA 3.42Å; C166-T191 PolarHBondContact O-N 3.04Å; C166-I209 CarbonylContact C-O 3.27Å; C166-I209 WeakPolarHBondContact CA-O 3.47Å |
| 167 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.6 | 171.1 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | I169 T191 I203 A207 I209 L210 L211 | V167-I169 HydrophobicContact CG1-CG1 4.34Å; V167-T191 WeakPolarHBondContact CA-O 3.48Å; V167-I203 HydrophobicContact CG1-CG2 4.09Å; V167-I203 HydrophobicContact CG2-CG2 4.11Å; V167-A207 HydrophobicContact CB-CB 3.8Å; V167-A207 HydrophobicContact CG2-CB 3.57Å; V167-I209 PolarHBondContact N-O 2.84Å; V167-L210 HydrophobicContact CB-CD1 3.74Å; V167-L210 HydrophobicContact CG1-CD1 3.73Å; V167-L210 WeakPolarHBondContact O-CA 3.23Å; V167-L211 PolarHBondContact O-N 3.18Å |
| 168 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | G176 F183 V190 T191 T192 C193 L211 | V168-G176 WeakPolarHBondContact CG1-O 3.13Å; V168-F183 HydrophobicContact CG2-CD2 4.17Å; V168-F183 HydrophobicContact CG2-CE2 4.33Å; V168-V190 HydrophobicContact CG2-CG1 4.15Å; V168-T191 PolarHBondContact N-O 3.42Å; V168-T192 CarbonylContact O-C 3.49Å; V168-T192 WeakPolarHBondContact O-CA 3.35Å; V168-C193 PolarHBondContact O-N 2.83Å; V168-L211 CarbonylContact C-O 3.42Å; V168-L211 WeakPolarHBondContact CA-O 3.48Å; V168-L211 HydrophobicContact CG1-CD2 3.85Å; V168-L211 HydrophobicContact CG2-CB 4.29Å |
| 169 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 100.3 | 176 | -47.8 | -179.6 | 0 | 0 | 0 | 109 | V167 C193 L200 C204 L210 L211 V212 A213 V214 V220 | V167-I169 HydrophobicContact CG1-CG1 4.34Å; I169-C193 HydrophobicContact CG1-CB 4.42Å; I169-L200 HydrophobicContact CD1-CD1 4.26Å; I169-L200 HydrophobicContact CD1-CD2 4.44Å; I169-L200 HydrophobicContact CD1-CG 4.45Å; I169-L200 HydrophobicContact CG1-CD1 4.31Å; I169-L200 HydrophobicContact CG2-CD2 4.14Å; I169-C204 VanDerWaalsContact CD1-SG 3.53Å; I169-L210 HydrophobicContact CD1-CD1 4.07Å; I169-L210 HydrophobicContact CG1-CD1 4.08Å; I169-L211 PolarHBondContact N-O 2.8Å; I169-V212 HydrophobicContact CB-CG1 4.35Å; I169-V212 HydrophobicContact CD1-CG2 4.29Å; I169-A213 CarbonylContact O-C 3.15Å; I169-A213 VanDerWaalsContact O-C 3.27Å; I169-A213 WeakPolarHBondContact O-CA 3.28Å; I169-A213 PolarHBondContact O-N 3.38Å; I169-V214 HydrophobicContact CG2-CB 4.14Å; I169-V214 HydrophobicContact CG2-CG2 4.38Å; I169-V220 HydrophobicContact CD1-CG2 3.67Å |
| 170 | G | 94 | Very high | 95 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | 145.5 | 139.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110 | G176 C193 A213 | G170-G176 CarbonylContact O-C 3.56Å; G170-G176 VanDerWaalsContact O-CA 3.3Å; G170-G176 WeakPolarHBondContact O-CA 3.39Å; G170-C193 PolarHBondContact N-O 3.42Å; G170-A213 WeakPolarHBondContact CA-O 3.39Å | ||
| 171 | R | 91.9 | Very high | 95.3 | Very high | 146 Ų | 146 | 40.7 Ų | 40.7 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | trans | -129.2 | 24.4 | 178.3 | 65.9 | 176.7 | -178.4 | -172.5 | 7.9 | 112.6 | H194 | R171-H194 HydrophobicContact CG-CB 4.15Å; R171-H194 PolarHBondContact NH1-CD2 2.75Å; R171-H194 PolarHBondContact NH1-NE2 3.02Å | ||
| 172 | S | 91.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | trans | -63.4 | 150.5 | 175.8 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | I174 V175 G176 K177 | S172-I174 PolarHBondContact O-N 2.83Å; S172-V175 PolarHBondContact OG-N 3.15Å; S172-G176 PolarHBondContact O-N 3.24Å; S172-G176 PolarHBondContact OG-N 3.5Å; S172-K177 PolarHBondContact O-N 2.83Å; S172-K177 VanDerWaalsContact O-N 3.1Å | ||
| 173 | R | 87.9 | Confident | 95.4 | Very high | 184 Ų | 184 | 38.3 Ų | 38.3 | 69% | 0.694 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.6 | 176.6 | -62 | -180 | -178.1 | 179.2 | -1.6 | 112.9 | E110 P178 | E110-R173 IonicContact OE1-CZ 2.74Å; E110-R173 IonicContact OE1-NH1 3.86Å; E110-R173 PolarHBondContact OE1-NH1 2.98Å; E110-R173 VanDerWaalsContact OE1-NH1 3.11Å; E110-R173 IonicContact OE2-CZ 2.75Å; E110-R173 IonicContact OE2-NH1 2.74Å; E110-R173 PolarHBondContact OE2-NH1 2.89Å; E110-R173 IonicContact OE2-NH2 3.72Å; R173-P178 WeakPolarHBondContact O-CG 3.44Å |
| 174 | I | 88.8 | Confident | 95.5 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -37.8 | -173.4 | -58.9 | 167.7 | 0 | 0 | 0 | 111.9 | L125 P147 S172 | L125-I174 HydrophobicContact CD2-CB 4.43Å; L125-I174 HydrophobicContact CD2-CG1 4.17Å; L125-I174 HydrophobicContact CD2-CG2 4.16Å; P147-I174 WeakPolarHBondContact CD-O 3.26Å; P147-I174 WeakPolarHBondContact CG-O 3.39Å; S172-I174 PolarHBondContact O-N 2.83Å |
| 175 | V | 93.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -65.1 | -172.8 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | T146 S172 K177 P178 A179 L211 A213 C234 | T146-V175 HydrophobicContact CG2-CB 4.42Å; T146-V175 HydrophobicContact CG2-CG1 3.89Å; T146-V175 HydrophobicContact CG2-CG2 3.69Å; S172-V175 PolarHBondContact OG-N 3.15Å; V175-K177 PolarHBondContact O-N 2.91Å; V175-P178 WeakPolarHBondContact O-CD 3.46Å; V175-A179 WeakPolarHBondContact O-CB 3.48Å; V175-A179 PolarHBondContact O-N 2.87Å; V175-L211 HydrophobicContact CG1-CD2 4.37Å; V175-A213 HydrophobicContact CB-CB 4.11Å; V175-A213 HydrophobicContact CG1-CB 3.65Å; V175-C234 HydrophobicContact CG1-CB 4.29Å |
| 176 | G | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -49.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114 | V168 G170 S172 S180 | V168-G176 WeakPolarHBondContact CG1-O 3.13Å; G170-G176 CarbonylContact O-C 3.56Å; G170-G176 VanDerWaalsContact O-CA 3.3Å; G170-G176 WeakPolarHBondContact O-CA 3.39Å; S172-G176 PolarHBondContact O-N 3.24Å; S172-G176 PolarHBondContact OG-N 3.5Å; G176-S180 PolarHBondContact O-N 3.42Å; G176-S180 VanDerWaalsContact O-N 3.16Å; G176-S180 PolarHBondContact O-OG 2.86Å |
| 177 | K | 95.2 | Very high | 95.4 | Very high | 101 Ų | 101 | 47.6 Ų | 47.6 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.4 | -50.4 | 179 | 176.2 | 56.6 | 178.3 | 150 | 0 | 111.8 | S172 V175 A179 S180 D181 | S172-K177 PolarHBondContact O-N 2.83Å; S172-K177 VanDerWaalsContact O-N 3.1Å; V175-K177 PolarHBondContact O-N 2.91Å; K177-A179 VanDerWaalsContact C-N 3.35Å; K177-A179 PolarHBondContact O-N 3.07Å; K177-S180 WeakPolarHBondContact O-CB 3.4Å; K177-S180 PolarHBondContact O-N 3.35Å; K177-S180 VanDerWaalsContact O-N 3.08Å; K177-D181 WeakPolarHBondContact CE-OD2 3.47Å; K177-D181 VanDerWaalsContact NZ-CG 3.25Å; K177-D181 IonicContact NZ-OD1 2.77Å; K177-D181 PolarHBondContact NZ-OD1 3Å; K177-D181 IonicContact NZ-OD2 3.75Å; K177-D181 PolarHBondContact NZ-OD2 3.45Å; K177-D181 VanDerWaalsContact NZ-OD2 3.07Å; K177-D181 PolarHBondContact O-N 2.93Å; K177-D181 VanDerWaalsContact O-N 3.13Å |
| 178 | P | 96.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 178.1 | -24.5 | 34 | 0 | 0 | 0 | 114.6 | L133 P144 P147 R173 V175 S180 D181 L182 | L133-P178 HydrophobicContact CD2-CB 3.78Å; P144-P178 HydrophobicContact CG-CB 3.88Å; P144-P178 HydrophobicContact CG-CG 4.26Å; P147-P178 HydrophobicContact CB-CB 4.4Å; P147-P178 HydrophobicContact CG-CB 3.79Å; R173-P178 WeakPolarHBondContact O-CG 3.44Å; V175-P178 WeakPolarHBondContact O-CD 3.46Å; P178-S180 VanDerWaalsContact C-N 3.29Å; P178-S180 PolarHBondContact O-N 3.11Å; P178-D181 PolarHBondContact O-N 3.32Å; P178-L182 VanDerWaalsContact O-CB 3.27Å; P178-L182 WeakPolarHBondContact O-CB 3.41Å; P178-L182 PolarHBondContact O-N 2.85Å |
| 179 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P147 V175 K177 L182 F183 L211 | P147-A179 HydrophobicContact CB-CB 4.05Å; P147-A179 HydrophobicContact CG-CB 4.35Å; V175-A179 WeakPolarHBondContact O-CB 3.48Å; V175-A179 PolarHBondContact O-N 2.87Å; K177-A179 VanDerWaalsContact C-N 3.35Å; K177-A179 PolarHBondContact O-N 3.07Å; A179-L182 PolarHBondContact O-N 3.15Å; A179-F183 WeakPolarHBondContact O-CB 3.48Å; A179-F183 WeakPolarHBondContact O-CD2 3.41Å; A179-F183 WeakPolarHBondContact O-CG 3.35Å; A179-F183 PolarHBondContact O-N 3Å; A179-L211 HydrophobicContact CB-CD1 3.99Å; A179-L211 HydrophobicContact CB-CD2 4.48Å |
| 180 | S | 97.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | G176 K177 P178 L184 T192 | G176-S180 PolarHBondContact O-N 3.42Å; G176-S180 VanDerWaalsContact O-N 3.16Å; G176-S180 PolarHBondContact O-OG 2.86Å; K177-S180 WeakPolarHBondContact O-CB 3.4Å; K177-S180 PolarHBondContact O-N 3.35Å; K177-S180 VanDerWaalsContact O-N 3.08Å; P178-S180 VanDerWaalsContact C-N 3.29Å; P178-S180 PolarHBondContact O-N 3.11Å; S180-L184 WeakPolarHBondContact O-CB 3.43Å; S180-L184 PolarHBondContact O-N 2.85Å; S180-L184 VanDerWaalsContact O-N 3.09Å; S180-T192 VanDerWaalsContact CB-OG1 3.26Å; S180-T192 WeakPolarHBondContact CB-OG1 3.42Å; S180-T192 PolarHBondContact OG-OG1 3.21Å |
| 181 | D | 97.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 178.1 | -65 | -30.2 | 0 | 0 | 0 | 111.1 | L133 K177 P178 F183 L184 W185 | L133-D181 HydrophobicContact CG-CB 4.24Å; K177-D181 WeakPolarHBondContact CE-OD2 3.47Å; K177-D181 VanDerWaalsContact NZ-CG 3.25Å; K177-D181 IonicContact NZ-OD1 2.77Å; K177-D181 PolarHBondContact NZ-OD1 3Å; K177-D181 IonicContact NZ-OD2 3.75Å; K177-D181 PolarHBondContact NZ-OD2 3.45Å; K177-D181 VanDerWaalsContact NZ-OD2 3.07Å; K177-D181 PolarHBondContact O-N 2.93Å; K177-D181 VanDerWaalsContact O-N 3.13Å; P178-D181 PolarHBondContact O-N 3.32Å; D181-F183 PolarHBondContact O-N 3.03Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 3.33Å; D181-W185 PolarHBondContact O-N 3.27Å |
| 182 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 178.9 | -175.1 | 62.3 | 0 | 0 | 0 | 112.3 | L133 L138 I143 P147 L151 P178 A179 W185 H186 | L133-L182 HydrophobicContact CD1-CB 4.17Å; L133-L182 HydrophobicContact CD1-CD1 4.03Å; L138-L182 HydrophobicContact CD2-CD1 4.35Å; I143-L182 HydrophobicContact CD1-CD1 4.07Å; I143-L182 HydrophobicContact CG2-CD1 4.02Å; I143-L182 HydrophobicContact CG2-CD2 3.88Å; P147-L182 HydrophobicContact CB-CD2 4.14Å; L151-L182 HydrophobicContact CB-CD2 3.95Å; L151-L182 HydrophobicContact CD2-CD1 4.11Å; L151-L182 HydrophobicContact CD2-CD2 3.87Å; L151-L182 HydrophobicContact CD2-CG 3.97Å; P178-L182 VanDerWaalsContact O-CB 3.27Å; P178-L182 WeakPolarHBondContact O-CB 3.41Å; P178-L182 PolarHBondContact O-N 2.85Å; A179-L182 PolarHBondContact O-N 3.15Å; L182-W185 PolarHBondContact O-N 2.95Å; L182-H186 PolarHBondContact O-N 2.91Å; L182-H186 PolarHBondContact O-ND1 3.35Å |
| 183 | F | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | 178.3 | -66 | -11.2 | 0 | 0 | 0 | 112.2 | C150 L151 L154 L161 C166 V168 A179 D181 W185 H186 N187 A188 V190 L211 | C150-F183 HydrophobicContact CB-CZ 4.19Å; L151-F183 HydrophobicContact CB-CE1 4.18Å; L151-F183 HydrophobicContact CD1-CD1 4.36Å; L151-F183 HydrophobicContact CD1-CE1 4.42Å; L154-F183 HydrophobicContact CD1-CE1 4.01Å; L154-F183 HydrophobicContact CD1-CE2 4.44Å; L154-F183 HydrophobicContact CD1-CZ 3.82Å; L161-F183 HydrophobicContact CD2-CB 4.16Å; L161-F183 HydrophobicContact CD2-CD1 3.77Å; L161-F183 HydrophobicContact CD2-CE1 4.42Å; L161-F183 HydrophobicContact CD2-CG 4.05Å; C166-F183 HydrophobicContact CB-CD2 4.13Å; V168-F183 HydrophobicContact CG2-CD2 4.17Å; V168-F183 HydrophobicContact CG2-CE2 4.33Å; A179-F183 WeakPolarHBondContact O-CB 3.48Å; A179-F183 WeakPolarHBondContact O-CD2 3.41Å; A179-F183 WeakPolarHBondContact O-CG 3.35Å; A179-F183 PolarHBondContact O-N 3Å; D181-F183 PolarHBondContact O-N 3.03Å; F183-W185 VanDerWaalsContact C-N 3.33Å; F183-W185 PolarHBondContact O-N 3.12Å; F183-H186 CarbonylContact O-C 3.57Å; F183-H186 WeakPolarHBondContact O-CA 3.07Å; F183-H186 PolarHBondContact O-N 3.18Å; F183-N187 PolarHBondContact O-N 3.46Å; F183-A188 HydrophobicContact CB-CB 4.14Å; F183-A188 VanDerWaalsContact O-CB 3.28Å; F183-A188 WeakPolarHBondContact O-CB 3.44Å; F183-A188 PolarHBondContact O-N 2.99Å; F183-A188 VanDerWaalsContact O-N 3.09Å; F183-V190 HydrophobicContact CB-CG2 3.85Å; F183-L211 HydrophobicContact CE2-CB 4.2Å; F183-L211 HydrophobicContact CE2-CD1 3.69Å; F183-L211 HydrophobicContact CZ-CD1 3.6Å |
| 184 | L | 97.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.8 | -176.8 | 65.2 | 0 | 0 | 0 | 111 | S180 D181 H186 N187 V190 | S180-L184 WeakPolarHBondContact O-CB 3.43Å; S180-L184 PolarHBondContact O-N 2.85Å; S180-L184 VanDerWaalsContact O-N 3.09Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 3.33Å; L184-H186 PolarHBondContact O-N 3.12Å; L184-N187 PolarHBondContact O-N 3.04Å; L184-V190 HydrophobicContact CB-CG2 4.07Å |
| 185 | W | 96.9 | Very high | 96.6 | Very high | 115 Ų | 115 | 42 Ų | 42 | 44% | 0.436 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.2 | 174.5 | -67.5 | 118.4 | 0 | 0 | 0 | 114.3 | L133 R135 G136 L138 D181 L182 F183 | L133-W185 VanDerWaalsContact O-CD1 3.26Å; L133-W185 PolarHBondContact O-NE1 3.01Å; R135-W185 WeakPolarHBondContact O-CZ2 3.31Å; G136-W185 VanDerWaalsContact CA-CD2 3.42Å; G136-W185 VanDerWaalsContact CA-NE1 3.29Å; G136-W185 VanDerWaalsContact N-CE2 3.25Å; G136-W185 VanDerWaalsContact N-CZ2 3.27Å; L138-W185 HydrophobicContact CD1-CB 3.91Å; L138-W185 HydrophobicContact CG-CB 4.47Å; D181-W185 PolarHBondContact O-N 3.27Å; L182-W185 PolarHBondContact O-N 2.95Å; F183-W185 VanDerWaalsContact C-N 3.33Å; F183-W185 PolarHBondContact O-N 3.12Å |
| 186 | H | 96.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 25% | 0.25 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 27 | 167.8 | -70.3 | 75.7 | 0 | 0 | 0 | 112.1 | L151 L161 L182 F183 L184 A188 | L151-H186 HydrophobicContact CD1-CB 4.45Å; L151-H186 WeakPolarHBondContact CD2-CE1 3.27Å; L151-H186 WeakPolarHBondContact CD2-NE2 3.49Å; L161-H186 HydrophobicContact CB-CB 4.26Å; L161-H186 WeakPolarHBondContact CB-O 3.29Å; L161-H186 HydrophobicContact CD2-CB 3.89Å; L182-H186 PolarHBondContact O-N 2.91Å; L182-H186 PolarHBondContact O-ND1 3.35Å; F183-H186 CarbonylContact O-C 3.57Å; F183-H186 WeakPolarHBondContact O-CA 3.07Å; F183-H186 PolarHBondContact O-N 3.18Å; L184-H186 PolarHBondContact O-N 3.12Å; H186-A188 PolarHBondContact O-N 2.97Å |
| 187 | N | 97.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 51.7 Ų | 51.7 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 18 | 175 | -57.5 | -51.2 | 0 | 0 | 0 | 115.6 | A162 G163 F183 L184 | A162-N187 WeakPolarHBondContact CA-O 3.28Å; A162-N187 HydrophobicContact CB-CB 4.02Å; G163-N187 PolarHBondContact N-O 2.89Å; F183-N187 PolarHBondContact O-N 3.46Å; L184-N187 PolarHBondContact O-N 3.04Å |
| 188 | A | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | trans | -74.6 | 148.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | L161 C166 F183 H186 V190 | L161-A188 HydrophobicContact CB-CB 4.31Å; L161-A188 WeakPolarHBondContact O-CA 3.3Å; C166-A188 HydrophobicContact CB-CB 4.14Å; C166-A188 VanDerWaalsContact SG-CB 3.53Å; F183-A188 HydrophobicContact CB-CB 4.14Å; F183-A188 VanDerWaalsContact O-CB 3.28Å; F183-A188 WeakPolarHBondContact O-CB 3.44Å; F183-A188 PolarHBondContact O-N 2.99Å; F183-A188 VanDerWaalsContact O-N 3.09Å; H186-A188 PolarHBondContact O-N 2.97Å; A188-V190 HydrophobicContact CB-CG2 3.95Å | ||
| 189 | T | 98.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 59.8 Ų | 59.8 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118 | 159.9 | -62.1 | 0 | 0 | 0 | 0 | 107.5 | K164 H165 C166 | K164-T189 PolarHBondContact O-N 3.44Å; H165-T189 CarbonylContact C-O 3.52Å; H165-T189 WeakPolarHBondContact CA-O 3.36Å; H165-T189 PolarHBondContact CD2-O 3.15Å; C166-T189 PolarHBondContact N-O 3.31Å |
| 190 | V | 97.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.2 | -171.9 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | C166 V168 F183 L184 A188 | C166-V190 HydrophobicContact CB-CG2 4.26Å; C166-V190 CarbonylContact O-C 3.58Å; C166-V190 VanDerWaalsContact O-CA 3.31Å; C166-V190 WeakPolarHBondContact O-CA 3.42Å; V168-V190 HydrophobicContact CG2-CG1 4.15Å; F183-V190 HydrophobicContact CB-CG2 3.85Å; L184-V190 HydrophobicContact CB-CG2 4.07Å; A188-V190 HydrophobicContact CB-CG2 3.95Å |
| 191 | T | 97.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 106.9 | 169.2 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | H165 C166 V167 V168 I203 | H165-T191 PolarHBondContact NE2-OG1 3.12Å; C166-T191 PolarHBondContact O-N 3.04Å; V167-T191 WeakPolarHBondContact CA-O 3.48Å; V168-T191 PolarHBondContact N-O 3.42Å; T191-I203 HydrophobicContact CG2-CG2 3.89Å |
| 192 | T | 97.2 | Very high | 96.4 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.6 | 175.6 | -45.9 | 0 | 0 | 0 | 0 | 110.9 | V168 S180 | V168-T192 CarbonylContact O-C 3.49Å; V168-T192 WeakPolarHBondContact O-CA 3.35Å; S180-T192 VanDerWaalsContact CB-OG1 3.26Å; S180-T192 WeakPolarHBondContact CB-OG1 3.42Å; S180-T192 PolarHBondContact OG-OG1 3.21Å |
| 193 | C | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 167.9 | 179.3 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | V168 I169 G170 T197 L200 | V168-C193 PolarHBondContact O-N 2.83Å; I169-C193 HydrophobicContact CG1-CB 4.42Å; G170-C193 PolarHBondContact N-O 3.42Å; C193-T197 HydrophobicContact CB-CG2 4.33Å; C193-L200 HydrophobicContact CB-CD1 3.49Å; C193-L200 VanDerWaalsContact CB-CD1 3.49Å |
| 194 | H | 94.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 69 Ų | 69 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | trans | -147.4 | 170.7 | 173.5 | 54 | 55.1 | 0 | 0 | 0 | 110 | R171 R196 T197 | R171-H194 HydrophobicContact CG-CB 4.15Å; R171-H194 PolarHBondContact NH1-CD2 2.75Å; R171-H194 PolarHBondContact NH1-NE2 3.02Å; H194-R196 PolarHBondContact ND1-N 3.43Å; H194-R196 PolarHBondContact O-N 2.77Å; H194-T197 PolarHBondContact N-OG1 3.23Å; H194-T197 PolarHBondContact ND1-N 2.94Å; H194-T197 PolarHBondContact ND1-OG1 2.9Å; H194-T197 VanDerWaalsContact O-CB 3.25Å; H194-T197 WeakPolarHBondContact O-CB 3.47Å; H194-T197 PolarHBondContact O-N 3.1Å; H194-T197 PolarHBondContact O-OG1 3.26Å; H194-T197 VanDerWaalsContact O-OG1 3.07Å | ||
| 195 | S | 92.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.2 | -177.1 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 196 | R | 93.7 | Very high | 96.3 | Very high | 189 Ų | 189 | 67.1 Ų | 67.1 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 4 | 175.1 | -58.7 | -174.3 | 177.7 | 100.8 | -2.6 | 115.4 | H194 K198 | H194-R196 PolarHBondContact ND1-N 3.43Å; H194-R196 PolarHBondContact O-N 2.77Å; R196-K198 PolarHBondContact O-N 2.94Å |
| 197 | T | 95.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | trans | -69.4 | 126.2 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | C193 H194 L200 I203 | C193-T197 HydrophobicContact CB-CG2 4.33Å; H194-T197 PolarHBondContact N-OG1 3.23Å; H194-T197 PolarHBondContact ND1-N 2.94Å; H194-T197 PolarHBondContact ND1-OG1 2.9Å; H194-T197 VanDerWaalsContact O-CB 3.25Å; H194-T197 WeakPolarHBondContact O-CB 3.47Å; H194-T197 PolarHBondContact O-N 3.1Å; H194-T197 PolarHBondContact O-OG1 3.26Å; H194-T197 VanDerWaalsContact O-OG1 3.07Å; T197-L200 HydrophobicContact CG2-CD1 4.34Å; T197-I203 HydrophobicContact CG2-CD1 3.54Å | ||
| 198 | K | 96 | Very high | 96.3 | Very high | 181 Ų | 181 | 60.9 Ų | 60.9 | 79% | 0.787 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 142.8 | 177.9 | -63.6 | -174.4 | -178.1 | -179.3 | 0 | 110.3 | R196 L200 | R196-K198 PolarHBondContact O-N 2.94Å; K198-L200 PolarHBondContact O-N 3.47Å |
| 199 | N | 95.3 | Very high | 96.3 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 37 | -179.3 | -51.2 | -67.3 | 0 | 0 | 0 | 113.3 | D201 K202 I203 | N199-D201 PolarHBondContact O-N 2.92Å; N199-K202 HydrophobicContact CB-CB 4.23Å; N199-K202 HydrophobicContact CB-CD 4.12Å; N199-K202 HydrophobicContact CB-CG 4.3Å; N199-K202 PolarHBondContact O-N 3Å; N199-I203 PolarHBondContact O-N 3.23Å; N199-I203 VanDerWaalsContact O-N 3.15Å |
| 200 | L | 94.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.2 | -38.1 | -177.1 | -176.6 | 56.5 | 0 | 0 | 0 | 112 | I169 C193 T197 K198 K202 I203 C204 M219 W224 | I169-L200 HydrophobicContact CD1-CD1 4.26Å; I169-L200 HydrophobicContact CD1-CD2 4.44Å; I169-L200 HydrophobicContact CD1-CG 4.45Å; I169-L200 HydrophobicContact CG1-CD1 4.31Å; I169-L200 HydrophobicContact CG2-CD2 4.14Å; C193-L200 HydrophobicContact CB-CD1 3.49Å; C193-L200 VanDerWaalsContact CB-CD1 3.49Å; T197-L200 HydrophobicContact CG2-CD1 4.34Å; K198-L200 PolarHBondContact O-N 3.47Å; L200-K202 VanDerWaalsContact C-N 3.35Å; L200-K202 PolarHBondContact O-N 3.41Å; L200-I203 PolarHBondContact O-N 3.47Å; L200-C204 PolarHBondContact O-N 3.41Å; L200-C204 PolarHBondContact O-SG 3.4Å; L200-M219 HydrophobicContact CD2-CE 3.69Å; L200-W224 HydrophobicContact CB-CZ3 4.39Å; L200-W224 HydrophobicContact CD2-CZ3 4.06Å; L200-W224 HydrophobicContact CG-CZ3 4.04Å |
| 201 | D | 95.7 | Very high | 96.3 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -44.2 | 174.5 | 70.1 | -56.6 | 0 | 0 | 0 | 112.4 | N199 C204 R205 W224 | N199-D201 PolarHBondContact O-N 2.92Å; D201-C204 PolarHBondContact O-N 3.07Å; D201-R205 WeakPolarHBondContact O-CG 3.38Å; D201-R205 PolarHBondContact O-N 3.39Å; D201-R205 IonicContact OD2-CZ 2.74Å; D201-R205 IonicContact OD2-NH1 2.65Å; D201-R205 PolarHBondContact OD2-NH1 3.16Å; D201-R205 IonicContact OD2-NH2 3.7Å; D201-R205 PolarHBondContact OD2-NH2 3.49Å; D201-W224 HydrophobicContact CB-CB 4.47Å; D201-W224 HydrophobicContact CB-CD2 3.64Å; D201-W224 HydrophobicContact CB-CE3 4.22Å; D201-W224 HydrophobicContact CB-CG 3.74Å; D201-W224 HydrophobicContact CB-CZ2 4.29Å |
| 202 | K | 96.9 | Very high | 96.3 | Very high | 125 Ų | 125 | 53 Ų | 53 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 178.7 | -62.2 | -175.8 | -175.2 | 169.7 | 0 | 111.6 | N199 L200 R205 | N199-K202 HydrophobicContact CB-CB 4.23Å; N199-K202 HydrophobicContact CB-CD 4.12Å; N199-K202 HydrophobicContact CB-CG 4.3Å; N199-K202 PolarHBondContact O-N 3Å; L200-K202 VanDerWaalsContact C-N 3.35Å; L200-K202 PolarHBondContact O-N 3.41Å; K202-R205 PolarHBondContact O-N 3.19Å |
| 203 | I | 96.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 176.4 | -60.3 | 168.6 | 0 | 0 | 0 | 110 | V167 T191 T197 N199 L200 R205 T206 | V167-I203 HydrophobicContact CG1-CG2 4.09Å; V167-I203 HydrophobicContact CG2-CG2 4.11Å; T191-I203 HydrophobicContact CG2-CG2 3.89Å; T197-I203 HydrophobicContact CG2-CD1 3.54Å; N199-I203 PolarHBondContact O-N 3.23Å; N199-I203 VanDerWaalsContact O-N 3.15Å; L200-I203 PolarHBondContact O-N 3.47Å; I203-R205 PolarHBondContact O-N 2.9Å; I203-T206 WeakPolarHBondContact O-CB 3.32Å; I203-T206 PolarHBondContact O-N 2.83Å; I203-T206 PolarHBondContact O-OG1 2.86Å |
| 204 | C | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -36 | 176.5 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | I169 L200 D201 T206 A207 W224 | I169-C204 VanDerWaalsContact CD1-SG 3.53Å; L200-C204 PolarHBondContact O-N 3.41Å; L200-C204 PolarHBondContact O-SG 3.4Å; D201-C204 PolarHBondContact O-N 3.07Å; C204-T206 PolarHBondContact O-N 3.43Å; C204-T206 VanDerWaalsContact O-N 3.16Å; C204-A207 VanDerWaalsContact O-CB 3.28Å; C204-A207 WeakPolarHBondContact O-CB 3.45Å; C204-A207 PolarHBondContact O-N 2.85Å; C204-A207 VanDerWaalsContact O-N 3.12Å; C204-W224 CarbonylContact C-O 3.53Å; C204-W224 HydrophobicContact CB-CB 4.04Å; C204-W224 WeakPolarHBondContact CB-O 3.39Å |
| 205 | R | 96.5 | Very high | 95.6 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 39% | 0.389 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.4 | 176.5 | -69.2 | -176.9 | -163 | 106.4 | 4.6 | 114.3 | D201 K202 I203 S223 W224 K226 | D201-R205 WeakPolarHBondContact O-CG 3.38Å; D201-R205 PolarHBondContact O-N 3.39Å; D201-R205 IonicContact OD2-CZ 2.74Å; D201-R205 IonicContact OD2-NH1 2.65Å; D201-R205 PolarHBondContact OD2-NH1 3.16Å; D201-R205 IonicContact OD2-NH2 3.7Å; D201-R205 PolarHBondContact OD2-NH2 3.49Å; K202-R205 PolarHBondContact O-N 3.19Å; I203-R205 PolarHBondContact O-N 2.9Å; R205-S223 PolarHBondContact NE-O 2.92Å; R205-S223 PolarHBondContact NH2-O 3.42Å; R205-W224 WeakPolarHBondContact CA-O 3.45Å; R205-W224 WeakPolarHBondContact CG-O 3.37Å; R205-W224 PolarHBondContact N-O 2.85Å; R205-K226 WeakPolarHBondContact O-CB 3.47Å |
| 206 | T | 97 | Very high | 95.4 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.1 | 175.2 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | H165 I203 C204 | H165-T206 PolarHBondContact CE1-OG1 3.42Å; H165-T206 PolarHBondContact ND1-O 3.35Å; H165-T206 PolarHBondContact ND1-OG1 3.15Å; I203-T206 WeakPolarHBondContact O-CB 3.32Å; I203-T206 PolarHBondContact O-N 2.83Å; I203-T206 PolarHBondContact O-OG1 2.86Å; C204-T206 PolarHBondContact O-N 3.43Å; C204-T206 VanDerWaalsContact O-N 3.16Å |
| 207 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -75.1 | 131.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V167 C204 L210 K226 V229 | V167-A207 HydrophobicContact CB-CB 3.8Å; V167-A207 HydrophobicContact CG2-CB 3.57Å; C204-A207 VanDerWaalsContact O-CB 3.28Å; C204-A207 WeakPolarHBondContact O-CB 3.45Å; C204-A207 PolarHBondContact O-N 2.85Å; C204-A207 VanDerWaalsContact O-N 3.12Å; A207-L210 HydrophobicContact CB-CB 4.25Å; A207-L210 HydrophobicContact CB-CD1 4.4Å; A207-K226 WeakPolarHBondContact O-CD 3.4Å; A207-V229 HydrophobicContact CB-CG2 4.2Å; A207-V229 WeakPolarHBondContact O-CG2 3.41Å | ||
| 208 | D | 97.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -81.8 | -32.3 | 160.4 | -61 | -51.5 | 0 | 0 | 0 | 110.6 | K164 H165 K226 V230 | K164-D208 HydrophobicContact CB-CB 4.21Å; K164-D208 HydrophobicContact CD-CB 3.97Å; H165-D208 PolarHBondContact N-OD2 3.42Å; H165-D208 PolarHBondContact O-N 3.22Å; D208-K226 IonicContact OD1-NZ 3.57Å; D208-K226 PolarHBondContact OD1-NZ 3.23Å; D208-V230 PolarHBondContact O-N 3.04Å |
| 209 | I | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 127.1 | 176.5 | -55.8 | 172.2 | 0 | 0 | 0 | 107.9 | L154 V159 L161 K164 H165 C166 V167 V230 | L154-I209 HydrophobicContact CD1-CD1 4.38Å; L154-I209 HydrophobicContact CD1-CG2 3.98Å; L154-I209 HydrophobicContact CD2-CD1 4.33Å; L154-I209 HydrophobicContact CD2-CG2 3.73Å; V159-I209 HydrophobicContact CG1-CD1 3.56Å; V159-I209 HydrophobicContact CG1-CG1 4.32Å; L161-I209 HydrophobicContact CG-CD1 4.22Å; K164-I209 HydrophobicContact CB-CD1 4.26Å; H165-I209 PolarHBondContact O-N 3.43Å; C166-I209 CarbonylContact C-O 3.27Å; C166-I209 WeakPolarHBondContact CA-O 3.47Å; V167-I209 PolarHBondContact N-O 2.84Å; I209-V230 CarbonylContact C-O 3.56Å; I209-V230 WeakPolarHBondContact CA-O 3.42Å; I209-V230 HydrophobicContact CG1-CB 4.39Å |
| 210 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.4 | 179.4 | -175.8 | 67.4 | 0 | 0 | 0 | 110 | V167 I169 A207 V212 V220 L225 V229 V230 V231 I232 | V167-L210 HydrophobicContact CB-CD1 3.74Å; V167-L210 HydrophobicContact CG1-CD1 3.73Å; V167-L210 WeakPolarHBondContact O-CA 3.23Å; I169-L210 HydrophobicContact CD1-CD1 4.07Å; I169-L210 HydrophobicContact CG1-CD1 4.08Å; A207-L210 HydrophobicContact CB-CB 4.25Å; A207-L210 HydrophobicContact CB-CD1 4.4Å; L210-V212 HydrophobicContact CD2-CG2 4.06Å; L210-V212 HydrophobicContact CG-CG2 3.86Å; L210-V220 HydrophobicContact CD2-CG1 3.97Å; L210-L225 HydrophobicContact CD2-CD2 3.36Å; L210-V229 HydrophobicContact CB-CG2 4.02Å; L210-V230 PolarHBondContact N-O 3.17Å; L210-V231 WeakPolarHBondContact O-CA 3.16Å; L210-I232 PolarHBondContact O-N 3.35Å |
| 211 | L | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.3 | 171.4 | -173.4 | 150.2 | 0 | 0 | 0 | 109.7 | C150 V167 V168 I169 V175 A179 F183 A213 I232 | C150-L211 HydrophobicContact CB-CD1 3.68Å; V167-L211 PolarHBondContact O-N 3.18Å; V168-L211 CarbonylContact C-O 3.42Å; V168-L211 WeakPolarHBondContact CA-O 3.48Å; V168-L211 HydrophobicContact CG1-CD2 3.85Å; V168-L211 HydrophobicContact CG2-CB 4.29Å; I169-L211 PolarHBondContact N-O 2.8Å; V175-L211 HydrophobicContact CG1-CD2 4.37Å; A179-L211 HydrophobicContact CB-CD1 3.99Å; A179-L211 HydrophobicContact CB-CD2 4.48Å; F183-L211 HydrophobicContact CE2-CB 4.2Å; F183-L211 HydrophobicContact CE2-CD1 3.69Å; F183-L211 HydrophobicContact CZ-CD1 3.6Å; L211-A213 HydrophobicContact CD2-CB 4.04Å; L211-I232 CarbonylContact C-O 3.57Å; L211-I232 WeakPolarHBondContact CA-O 3.38Å; L211-I232 HydrophobicContact CB-CB 4.48Å; L211-I232 HydrophobicContact CD1-CG2 4.34Å; L211-I232 HydrophobicContact CG-CB 4.36Å; L211-I232 HydrophobicContact CG-CG2 4.39Å |
| 212 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.4 | -177 | -167.5 | 0 | 0 | 0 | 0 | 109.8 | I169 L210 V214 V220 I232 C234 D249 V250 | I169-V212 HydrophobicContact CB-CG1 4.35Å; I169-V212 HydrophobicContact CD1-CG2 4.29Å; L210-V212 HydrophobicContact CD2-CG2 4.06Å; L210-V212 HydrophobicContact CG-CG2 3.86Å; V212-V214 HydrophobicContact CG1-CG1 4.17Å; V212-V220 HydrophobicContact CG1-CG2 3.77Å; V212-V220 HydrophobicContact CG2-CG2 4.02Å; V212-I232 PolarHBondContact N-O 2.8Å; V212-C234 WeakPolarHBondContact O-CA 3.39Å; V212-C234 VanDerWaalsContact O-CB 3.31Å; V212-C234 WeakPolarHBondContact O-CB 3.39Å; V212-C234 PolarHBondContact O-N 2.95Å; V212-D249 HydrophobicContact CB-CB 4.34Å; V212-D249 HydrophobicContact CG1-CB 3.43Å; V212-D249 VanDerWaalsContact CG1-CB 3.43Å; V212-V250 HydrophobicContact CB-CG2 3.93Å; V212-V250 HydrophobicContact CG1-CG2 4.27Å; V212-V250 HydrophobicContact CG2-CG2 3.65Å |
| 213 | A | 94.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | trans | -149.3 | 57.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I169 G170 V175 L211 C234 | I169-A213 CarbonylContact O-C 3.15Å; I169-A213 VanDerWaalsContact O-C 3.27Å; I169-A213 WeakPolarHBondContact O-CA 3.28Å; I169-A213 PolarHBondContact O-N 3.38Å; G170-A213 WeakPolarHBondContact CA-O 3.39Å; V175-A213 HydrophobicContact CB-CB 4.11Å; V175-A213 HydrophobicContact CG1-CB 3.65Å; L211-A213 HydrophobicContact CD2-CB 4.04Å; A213-C234 HydrophobicContact CB-CB 3.88Å | ||
| 214 | V | 92.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106 | -18.8 | -174 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | I169 V212 Q216 M219 D249 | I169-V214 HydrophobicContact CG2-CB 4.14Å; I169-V214 HydrophobicContact CG2-CG2 4.38Å; V212-V214 HydrophobicContact CG1-CG1 4.17Å; V214-Q216 HydrophobicContact CG1-CB 4.14Å; V214-Q216 HydrophobicContact CG1-CG 4.47Å; V214-M219 HydrophobicContact CG1-SD 3.76Å; V214-M219 HydrophobicContact CG2-SD 4.11Å; V214-D249 HydrophobicContact CG1-CB 4.02Å; V214-D249 PolarHBondContact N-OD2 3.28Å |
| 215 | G | 88.1 | Confident | 94.3 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | trans | 70.5 | 41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D249 | G215-D249 WeakPolarHBondContact CA-OD1 3.49Å; G215-D249 PolarHBondContact N-OD1 2.95Å; G215-D249 PolarHBondContact N-OD2 3.42Å | ||
| 216 | Q | 88.9 | Confident | 94.3 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 41% | 0.411 | 19% | 0.191 | S | C | . | . | trans | -136 | 113.1 | 177 | -64.5 | -172.6 | 15.3 | 0 | 0 | 109.4 | V214 G218 M219 D249 | V214-Q216 HydrophobicContact CG1-CB 4.14Å; V214-Q216 HydrophobicContact CG1-CG 4.47Å; Q216-G218 PolarHBondContact O-N 3.1Å; Q216-M219 HydrophobicContact CB-CB 3.94Å; Q216-M219 HydrophobicContact CB-SD 4.32Å; Q216-M219 PolarHBondContact O-N 3.2Å; Q216-M219 PolarHBondContact OE1-SD 2.92Å; Q216-D249 PolarHBondContact N-OD1 2.89Å; Q216-D249 VanDerWaalsContact O-CA 3.26Å; Q216-D249 WeakPolarHBondContact O-CA 3.4Å | ||
| 217 | A | 89.1 | Confident | 94.2 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 31% | 0.314 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 123.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M219 N237 G248 | A217-M219 PolarHBondContact O-N 2.95Å; A217-N237 WeakPolarHBondContact CA-ND2 3.34Å; A217-N237 HydrophobicContact CB-CB 3.76Å; A217-N237 PolarHBondContact N-ND2 3.03Å; A217-G248 WeakPolarHBondContact CA-O 3.14Å |
| 218 | G | 89.1 | Confident | 94 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 23.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q216 K221 G248 D249 | Q216-G218 PolarHBondContact O-N 3.1Å; G218-K221 VanDerWaalsContact O-CE 3.26Å; G218-K221 WeakPolarHBondContact O-CE 3.43Å; G218-K221 PolarHBondContact O-NZ 3.22Å; G218-G248 PolarHBondContact N-O 3.42Å; G218-D249 CarbonylContact C-O 3.35Å; G218-D249 WeakPolarHBondContact CA-O 3.44Å; G218-D249 PolarHBondContact N-O 2.83Å |
| 219 | M | 92.1 | Very high | 94 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -60 | -44.3 | 179.9 | -179.4 | -170.4 | 177.3 | 0 | 0 | 112.1 | L200 V214 Q216 A217 K221 W224 D249 | L200-M219 HydrophobicContact CD2-CE 3.69Å; V214-M219 HydrophobicContact CG1-SD 3.76Å; V214-M219 HydrophobicContact CG2-SD 4.11Å; Q216-M219 HydrophobicContact CB-CB 3.94Å; Q216-M219 HydrophobicContact CB-SD 4.32Å; Q216-M219 PolarHBondContact O-N 3.2Å; Q216-M219 PolarHBondContact OE1-SD 2.92Å; A217-M219 PolarHBondContact O-N 2.95Å; M219-K221 PolarHBondContact O-N 3.36Å; M219-W224 HydrophobicContact CE-CH2 4.48Å; M219-D249 PolarHBondContact N-O 3.5Å | ||
| 220 | V | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 115.5 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | I169 L210 V212 W224 L225 D249 V250 D251 | I169-V220 HydrophobicContact CD1-CG2 3.67Å; L210-V220 HydrophobicContact CD2-CG1 3.97Å; V212-V220 HydrophobicContact CG1-CG2 3.77Å; V212-V220 HydrophobicContact CG2-CG2 4.02Å; V220-W224 HydrophobicContact CG1-CE3 4.48Å; V220-L225 HydrophobicContact CG1-CD2 3.98Å; V220-D249 PolarHBondContact N-O 3.3Å; V220-V250 HydrophobicContact CB-CB 4.46Å; V220-V250 HydrophobicContact CB-CG1 4.36Å; V220-V250 HydrophobicContact CB-CG2 4.12Å; V220-V250 HydrophobicContact CG1-CG1 4.4Å; V220-D251 PolarHBondContact O-N 2.82Å |
| 221 | K | 94.7 | Very high | 94 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | trans | -91.5 | 155.9 | -179.2 | -61.1 | -49.9 | -169.2 | -172.5 | 0 | 112.3 | G218 M219 S223 W224 D251 E254 | G218-K221 VanDerWaalsContact O-CE 3.26Å; G218-K221 WeakPolarHBondContact O-CE 3.43Å; G218-K221 PolarHBondContact O-NZ 3.22Å; M219-K221 PolarHBondContact O-N 3.36Å; K221-S223 PolarHBondContact O-N 3.46Å; K221-W224 HydrophobicContact CB-CG 4.45Å; K221-W224 VanDerWaalsContact O-CB 3.32Å; K221-W224 WeakPolarHBondContact O-CB 3.43Å; K221-W224 PolarHBondContact O-N 2.64Å; K221-D251 HydrophobicContact CD-CB 3.91Å; K221-D251 IonicContact NZ-OD2 2.8Å; K221-D251 PolarHBondContact NZ-OD2 2.89Å; K221-E254 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 222 | G | 91.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -59.7 | -31.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W224 L225 E254 | G222-W224 PolarHBondContact O-N 3.12Å; G222-W224 VanDerWaalsContact O-N 3.16Å; G222-L225 WeakPolarHBondContact O-CB 3.3Å; G222-L225 PolarHBondContact O-N 3.42Å; G222-L225 VanDerWaalsContact O-N 3.12Å; G222-E254 PolarHBondContact N-OE2 3.43Å |
| 223 | S | 94 | Very high | 93.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -67 | -9.8 | 175.7 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | R205 K221 | R205-S223 PolarHBondContact NE-O 2.92Å; R205-S223 PolarHBondContact NH2-O 3.42Å; K221-S223 PolarHBondContact O-N 3.46Å |
| 224 | W | 96.1 | Very high | 93.8 | Very high | 54 Ų | 54 | 35.3 Ų | 35.3 | 21% | 0.205 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -92.7 | -8.8 | 176.7 | -62 | 19.4 | 0 | 0 | 0 | 111.8 | L200 D201 C204 R205 M219 V220 K221 G222 | L200-W224 HydrophobicContact CB-CZ3 4.39Å; L200-W224 HydrophobicContact CD2-CZ3 4.06Å; L200-W224 HydrophobicContact CG-CZ3 4.04Å; D201-W224 HydrophobicContact CB-CB 4.47Å; D201-W224 HydrophobicContact CB-CD2 3.64Å; D201-W224 HydrophobicContact CB-CE3 4.22Å; D201-W224 HydrophobicContact CB-CG 3.74Å; D201-W224 HydrophobicContact CB-CZ2 4.29Å; C204-W224 CarbonylContact C-O 3.53Å; C204-W224 HydrophobicContact CB-CB 4.04Å; C204-W224 WeakPolarHBondContact CB-O 3.39Å; R205-W224 WeakPolarHBondContact CA-O 3.45Å; R205-W224 WeakPolarHBondContact CG-O 3.37Å; R205-W224 PolarHBondContact N-O 2.85Å; M219-W224 HydrophobicContact CE-CH2 4.48Å; V220-W224 HydrophobicContact CG1-CE3 4.48Å; K221-W224 HydrophobicContact CB-CG 4.45Å; K221-W224 VanDerWaalsContact O-CB 3.32Å; K221-W224 WeakPolarHBondContact O-CB 3.43Å; K221-W224 PolarHBondContact O-N 2.64Å; G222-W224 PolarHBondContact O-N 3.12Å; G222-W224 VanDerWaalsContact O-N 3.16Å |
| 225 | L | 96.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -93.8 | 138.7 | -171.5 | -57.6 | -175.2 | 0 | 0 | 0 | 111.8 | L210 V220 G222 V229 V231 A255 V258 | L210-L225 HydrophobicContact CD2-CD2 3.36Å; V220-L225 HydrophobicContact CG1-CD2 3.98Å; G222-L225 WeakPolarHBondContact O-CB 3.3Å; G222-L225 PolarHBondContact O-N 3.42Å; G222-L225 VanDerWaalsContact O-N 3.12Å; L225-V229 HydrophobicContact CB-CG1 3.85Å; L225-V229 HydrophobicContact CD1-CG1 4.38Å; L225-V229 HydrophobicContact CD2-CG1 4.3Å; L225-V229 HydrophobicContact CG-CG1 4.4Å; L225-V231 HydrophobicContact CD1-CG2 4.11Å; L225-V231 HydrophobicContact CD2-CG2 4.3Å; L225-A255 HydrophobicContact CD1-CB 3.52Å; L225-V258 HydrophobicContact CB-CB 4.24Å; L225-V258 HydrophobicContact CB-CG1 3.79Å; L225-V258 HydrophobicContact CD1-CB 4.47Å |
| 226 | K | 95.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 34% | 0.339 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 132.3 | 166.1 | -175.7 | -177.1 | 174.4 | -180 | 0 | 108.9 | R205 A207 D208 G228 V229 | R205-K226 WeakPolarHBondContact O-CB 3.47Å; A207-K226 WeakPolarHBondContact O-CD 3.4Å; D208-K226 IonicContact OD1-NZ 3.57Å; D208-K226 PolarHBondContact OD1-NZ 3.23Å; K226-G228 PolarHBondContact O-N 2.89Å; K226-V229 HydrophobicContact CB-CB 4.3Å; K226-V229 VanDerWaalsContact O-CB 3.27Å; K226-V229 WeakPolarHBondContact O-CB 3.34Å; K226-V229 WeakPolarHBondContact O-CG1 3.43Å; K226-V229 PolarHBondContact O-N 2.72Å |
| 227 | P | 95.4 | Very high | 92.9 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 72% | 0.721 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 126.4 | 172.3 | -27.5 | 35.6 | 0 | 0 | 0 | 111.4 | ||
| 228 | G | 94.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 35.1 Ų | 35.1 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 5.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | K226 V258 S260 | K226-G228 PolarHBondContact O-N 2.89Å; G228-V258 PolarHBondContact N-O 3.12Å; G228-S260 VanDerWaalsContact O-CB 3.29Å; G228-S260 WeakPolarHBondContact O-CB 3.43Å; G228-S260 PolarHBondContact O-OG 3.36Å |
| 229 | V | 97.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -59.1 | 147.9 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | A207 L210 L225 K226 V231 A259 S260 | A207-V229 HydrophobicContact CB-CG2 4.2Å; A207-V229 WeakPolarHBondContact O-CG2 3.41Å; L210-V229 HydrophobicContact CB-CG2 4.02Å; L225-V229 HydrophobicContact CB-CG1 3.85Å; L225-V229 HydrophobicContact CD1-CG1 4.38Å; L225-V229 HydrophobicContact CD2-CG1 4.3Å; L225-V229 HydrophobicContact CG-CG1 4.4Å; K226-V229 HydrophobicContact CB-CB 4.3Å; K226-V229 VanDerWaalsContact O-CB 3.27Å; K226-V229 WeakPolarHBondContact O-CB 3.34Å; K226-V229 WeakPolarHBondContact O-CG1 3.43Å; K226-V229 PolarHBondContact O-N 2.72Å; V229-V231 HydrophobicContact CG1-CG2 3.83Å; V229-A259 HydrophobicContact CG1-CB 4.23Å; V229-A259 CarbonylContact O-C 3.58Å; V229-A259 VanDerWaalsContact O-CA 3.29Å; V229-A259 WeakPolarHBondContact O-CA 3.5Å; V229-A259 WeakPolarHBondContact O-CB 3.32Å; V229-S260 PolarHBondContact O-N 3.21Å; V229-S260 PolarHBondContact O-OG 3.46Å | ||
| 230 | V | 97.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.7 | 168.1 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | I5 L154 I157 V159 D208 I209 L210 I232 F261 | I5-V230 HydrophobicContact CD1-CG1 4.11Å; L154-V230 HydrophobicContact CD2-CG1 3.6Å; I157-V230 HydrophobicContact CD1-CG1 3.92Å; I157-V230 HydrophobicContact CD1-CG2 4.3Å; V159-V230 HydrophobicContact CG2-CG2 4.16Å; D208-V230 PolarHBondContact O-N 3.04Å; I209-V230 CarbonylContact C-O 3.56Å; I209-V230 WeakPolarHBondContact CA-O 3.42Å; I209-V230 HydrophobicContact CG1-CB 4.39Å; L210-V230 PolarHBondContact N-O 3.17Å; V230-I232 HydrophobicContact CG1-CD1 4.48Å; V230-F261 HydrophobicContact CG1-CB 4.1Å; V230-F261 HydrophobicContact CG2-CB 4.29Å; V230-F261 HydrophobicContact CG2-CD2 4.15Å |
| 231 | V | 97.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122 | -176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | L210 L225 V229 V250 A259 F261 I262 T263 | L210-V231 WeakPolarHBondContact O-CA 3.16Å; L225-V231 HydrophobicContact CD1-CG2 4.11Å; L225-V231 HydrophobicContact CD2-CG2 4.3Å; V229-V231 HydrophobicContact CG1-CG2 3.83Å; V231-V250 HydrophobicContact CG1-CG1 4.32Å; V231-V250 HydrophobicContact CG1-CG2 3.93Å; V231-A259 HydrophobicContact CG2-CB 3.89Å; V231-F261 PolarHBondContact N-O 2.79Å; V231-I262 HydrophobicContact CB-CB 4.37Å; V231-I262 HydrophobicContact CB-CD1 4.31Å; V231-I262 HydrophobicContact CB-CG1 4Å; V231-I262 HydrophobicContact CG1-CD1 4.3Å; V231-I262 HydrophobicContact CG1-CG1 4.21Å; V231-I262 WeakPolarHBondContact O-CA 3.32Å; V231-T263 PolarHBondContact O-N 3.36Å; V231-T263 VanDerWaalsContact O-N 3.09Å |
| 232 | I | 97.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108.3 | 171.1 | -53.5 | -60.4 | 0 | 0 | 0 | 108.5 | I5 C150 L153 L154 L210 L211 V212 V230 T263 V269 | I5-I232 HydrophobicContact CD1-CD1 3.65Å; C150-I232 HydrophobicContact CB-CG2 4.06Å; L153-I232 HydrophobicContact CB-CD1 4.3Å; L154-I232 HydrophobicContact CD2-CD1 4.01Å; L154-I232 HydrophobicContact CD2-CG1 4Å; L154-I232 HydrophobicContact CG-CD1 4.4Å; L154-I232 HydrophobicContact CG-CG1 4.34Å; L210-I232 PolarHBondContact O-N 3.35Å; L211-I232 CarbonylContact C-O 3.57Å; L211-I232 WeakPolarHBondContact CA-O 3.38Å; L211-I232 HydrophobicContact CB-CB 4.48Å; L211-I232 HydrophobicContact CD1-CG2 4.34Å; L211-I232 HydrophobicContact CG-CB 4.36Å; L211-I232 HydrophobicContact CG-CG2 4.39Å; V212-I232 PolarHBondContact N-O 2.8Å; V230-I232 HydrophobicContact CG1-CD1 4.48Å; I232-T263 HydrophobicContact CD1-CG2 3.64Å; I232-T263 HydrophobicContact CG2-CG2 4.28Å; I232-V269 HydrophobicContact CG2-CG2 3.67Å |
| 233 | D | 96.1 | Very high | 84.6 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 110.5 | 177.9 | -167.3 | -12.9 | 0 | 0 | 0 | 110.2 | G235 G248 D249 V250 T263 V265 V269 | D233-G235 PolarHBondContact OD1-N 3.09Å; D233-G248 WeakPolarHBondContact OD2-CA 3.39Å; D233-D249 PolarHBondContact OD1-N 2.93Å; D233-D249 PolarHBondContact OD2-N 3.46Å; D233-V250 HydrophobicContact CB-CB 4.46Å; D233-V250 HydrophobicContact CB-CG2 4Å; D233-V250 VanDerWaalsContact OD2-CB 3.3Å; D233-V250 WeakPolarHBondContact OD2-CB 3.29Å; D233-V250 WeakPolarHBondContact OD2-CG2 3.35Å; D233-V250 PolarHBondContact OD2-N 2.98Å; D233-T263 PolarHBondContact N-OG1 2.94Å; D233-V265 HydrophobicContact CB-CG2 3.84Å; D233-V269 WeakPolarHBondContact O-CG2 3.31Å |
| 234 | C | 92.6 | Very high | 83 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | trans | -95.7 | -4.1 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | V175 V212 A213 V269 | V175-C234 HydrophobicContact CG1-CB 4.29Å; V212-C234 WeakPolarHBondContact O-CA 3.39Å; V212-C234 VanDerWaalsContact O-CB 3.31Å; V212-C234 WeakPolarHBondContact O-CB 3.39Å; V212-C234 PolarHBondContact O-N 2.95Å; A213-C234 HydrophobicContact CB-CB 3.88Å; C234-V269 HydrophobicContact CB-CG1 4.49Å | ||
| 235 | G | 86.5 | Confident | 81.9 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | trans | -64.6 | 143.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | D233 D249 V265 | D233-G235 PolarHBondContact OD1-N 3.09Å; G235-D249 VanDerWaalsContact CA-CG 3.48Å; G235-D249 WeakPolarHBondContact CA-OD2 3.44Å; G235-V265 WeakPolarHBondContact O-CG1 3.38Å | ||
| 236 | M | 81.9 | Confident | 81.1 | Confident | 97 Ų | 97 | 65 Ų | 65 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | trans | -137.7 | 97.4 | 168.3 | -77.6 | -170.1 | -68.9 | 0 | 0 | 108.3 | Y50 | Y50-M236 HydrophobicContact CE1-CE 4.38Å; Y50-M236 WeakPolarHBondContact OH-CE 2.96Å; Y50-M236 PolarHBondContact OH-SD 2.77Å; Y50-M236 VanDerWaalsContact OH-SD 3.33Å | ||
| 237 | N | 81.7 | Confident | 80.7 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.6 | -179.5 | -53.8 | -71.6 | 0 | 0 | 0 | 109.6 | A217 L246 C247 G248 D249 | A217-N237 WeakPolarHBondContact CA-ND2 3.34Å; A217-N237 HydrophobicContact CB-CB 3.76Å; A217-N237 PolarHBondContact N-ND2 3.03Å; N237-L246 WeakPolarHBondContact O-CA 3.11Å; N237-C247 PolarHBondContact N-O 3.35Å; N237-C247 PolarHBondContact O-N 2.91Å; N237-G248 PolarHBondContact ND2-O 3.31Å; N237-D249 PolarHBondContact ND2-OD1 3.48Å |
| 238 | A | 74.7 | Confident | 80.4 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 138 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 239 | A | 66.4 | Low | 80.3 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | trans | -62.7 | 139 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D241 K245 | A239-D241 WeakPolarHBondContact CB-OD1 3.43Å; A239-D241 PolarHBondContact O-N 3.33Å; A239-D241 VanDerWaalsContact O-N 3.16Å; A239-K245 HydrophobicContact CB-CB 4.42Å; A239-K245 WeakPolarHBondContact CB-O 3.21Å; A239-K245 PolarHBondContact N-O 2.7Å | ||
| 240 | D | 62.7 | Low | 80.2 | Confident | 156 Ų | 156 | 56.4 Ų | 56.4 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.1 | -179.6 | -68.1 | -28.6 | 0 | 0 | 0 | 113 | G242 | D240-G242 PolarHBondContact O-N 3.12Š|
| 241 | D | 60.7 | Low | 80 | Confident | 115 Ų | 115 | 58 Ų | 58 | 62% | 0.615 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 5.8 | -176.8 | 69.5 | -7.7 | 0 | 0 | 0 | 114.2 | A239 S243 | A239-D241 WeakPolarHBondContact CB-OD1 3.43Å; A239-D241 PolarHBondContact O-N 3.33Å; A239-D241 VanDerWaalsContact O-N 3.16Å; D241-S243 VanDerWaalsContact CG-OG 3.23Å; D241-S243 PolarHBondContact O-N 2.8Å; D241-S243 VanDerWaalsContact O-N 3.12Å; D241-S243 WeakPolarHBondContact OD1-CA 3.47Å; D241-S243 WeakPolarHBondContact OD1-CB 3.38Å; D241-S243 PolarHBondContact OD1-N 3.39Å; D241-S243 PolarHBondContact OD1-OG 3.37Å; D241-S243 PolarHBondContact OD2-OG 2.9Å |
| 242 | G | 56.2 | Low | 79.8 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 75% | 0.753 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 70.3 | -0.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D240 | D240-G242 PolarHBondContact O-N 3.12Š|
| 243 | S | 54.8 | Low | 79.5 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | trans | -71.8 | 142.1 | 169.7 | 81.4 | 0 | 0 | 0 | 0 | 108.8 | D241 K245 | D241-S243 VanDerWaalsContact CG-OG 3.23Å; D241-S243 PolarHBondContact O-N 2.8Å; D241-S243 VanDerWaalsContact O-N 3.12Å; D241-S243 WeakPolarHBondContact OD1-CA 3.47Å; D241-S243 WeakPolarHBondContact OD1-CB 3.38Å; D241-S243 PolarHBondContact OD1-N 3.39Å; D241-S243 PolarHBondContact OD1-OG 3.37Å; D241-S243 PolarHBondContact OD2-OG 2.9Å; S243-K245 PolarHBondContact O-N 2.73Å; S243-K245 WeakPolarHBondContact OG-CB 3.37Å; S243-K245 PolarHBondContact OG-N 2.81Å | ||
| 244 | R | 61 | Low | 79.4 | Confident | 256 Ų | 256 | 70.8 Ų | 70.8 | 97% | 0.966 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -68.8 | 18.2 | 173.1 | -71.6 | -175.8 | 177.6 | 174.2 | 0.1 | 113 | ||
| 245 | K | 72.2 | Confident | 79.4 | Confident | 152 Ų | 152 | 69.7 Ų | 69.7 | 66% | 0.661 | 37% | 0.373 | S | S | * | . | trans | -76.4 | 135.4 | 178.4 | -70.1 | -178.5 | 176.8 | 176 | 0 | 109.1 | A239 S243 | A239-K245 HydrophobicContact CB-CB 4.42Å; A239-K245 WeakPolarHBondContact CB-O 3.21Å; A239-K245 PolarHBondContact N-O 2.7Å; S243-K245 PolarHBondContact O-N 2.73Å; S243-K245 WeakPolarHBondContact OG-CB 3.37Å; S243-K245 PolarHBondContact OG-N 2.81Å | ||
| 246 | L | 81 | Confident | 79.7 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135.2 | 173.6 | -67.4 | 167.9 | 0 | 0 | 0 | 108.7 | N237 | N237-L246 WeakPolarHBondContact O-CA 3.11Å |
| 247 | C | 86.8 | Confident | 80.2 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.8 | 174.4 | 60.7 | 0 | 0 | 0 | 0 | 111 | N237 | N237-C247 PolarHBondContact N-O 3.35Å; N237-C247 PolarHBondContact O-N 2.91Å |
| 248 | G | 89.7 | Confident | 80.9 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | trans | -86.2 | -177.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A217 G218 D233 N237 | A217-G248 WeakPolarHBondContact CA-O 3.14Å; G218-G248 PolarHBondContact N-O 3.42Å; D233-G248 WeakPolarHBondContact OD2-CA 3.39Å; N237-G248 PolarHBondContact ND2-O 3.31Å | ||
| 249 | D | 92.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -79.4 | -12.9 | 174.1 | -68.4 | -22.1 | 0 | 0 | 0 | 112.2 | V212 V214 G215 Q216 G218 M219 V220 D233 G235 N237 | V212-D249 HydrophobicContact CB-CB 4.34Å; V212-D249 HydrophobicContact CG1-CB 3.43Å; V212-D249 VanDerWaalsContact CG1-CB 3.43Å; V214-D249 HydrophobicContact CG1-CB 4.02Å; V214-D249 PolarHBondContact N-OD2 3.28Å; G215-D249 WeakPolarHBondContact CA-OD1 3.49Å; G215-D249 PolarHBondContact N-OD1 2.95Å; G215-D249 PolarHBondContact N-OD2 3.42Å; Q216-D249 PolarHBondContact N-OD1 2.89Å; Q216-D249 VanDerWaalsContact O-CA 3.26Å; Q216-D249 WeakPolarHBondContact O-CA 3.4Å; G218-D249 CarbonylContact C-O 3.35Å; G218-D249 WeakPolarHBondContact CA-O 3.44Å; G218-D249 PolarHBondContact N-O 2.83Å; M219-D249 PolarHBondContact N-O 3.5Å; V220-D249 PolarHBondContact N-O 3.3Å; D233-D249 PolarHBondContact OD1-N 2.93Å; D233-D249 PolarHBondContact OD2-N 3.46Å; G235-D249 VanDerWaalsContact CA-CG 3.48Å; G235-D249 WeakPolarHBondContact CA-OD2 3.44Å; N237-D249 PolarHBondContact ND2-OD1 3.48Å |
| 250 | V | 94.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 138.9 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | V212 V220 V231 D233 F252 A255 | V212-V250 HydrophobicContact CB-CG2 3.93Å; V212-V250 HydrophobicContact CG1-CG2 4.27Å; V212-V250 HydrophobicContact CG2-CG2 3.65Å; V220-V250 HydrophobicContact CB-CB 4.46Å; V220-V250 HydrophobicContact CB-CG1 4.36Å; V220-V250 HydrophobicContact CB-CG2 4.12Å; V220-V250 HydrophobicContact CG1-CG1 4.4Å; V231-V250 HydrophobicContact CG1-CG1 4.32Å; V231-V250 HydrophobicContact CG1-CG2 3.93Å; D233-V250 HydrophobicContact CB-CB 4.46Å; D233-V250 HydrophobicContact CB-CG2 4Å; D233-V250 VanDerWaalsContact OD2-CB 3.3Å; D233-V250 WeakPolarHBondContact OD2-CB 3.29Å; D233-V250 WeakPolarHBondContact OD2-CG2 3.35Å; D233-V250 PolarHBondContact OD2-N 2.98Å; V250-F252 PolarHBondContact O-N 2.88Å; V250-A255 HydrophobicContact CG1-CB 3.43Å; V250-A255 VanDerWaalsContact CG1-CB 3.43Å |
| 251 | D | 93.1 | Very high | 84.9 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | trans | -67.6 | 95.3 | 168.5 | -162.6 | -43.8 | 0 | 0 | 0 | 109.6 | V220 K221 E253 E254 A255 | V220-D251 PolarHBondContact O-N 2.82Å; K221-D251 HydrophobicContact CD-CB 3.91Å; K221-D251 IonicContact NZ-OD2 2.8Å; K221-D251 PolarHBondContact NZ-OD2 2.89Å; D251-E253 PolarHBondContact O-N 3.39Å; D251-E254 HydrophobicContact CB-CB 4.23Å; D251-E254 HydrophobicContact CB-CG 4.4Å; D251-E254 PolarHBondContact O-N 3.19Å; D251-A255 WeakPolarHBondContact O-CB 3.49Å; D251-A255 PolarHBondContact O-N 3.07Å | ||
| 252 | F | 92.5 | Very high | 86.6 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 25% | 0.25 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | -165.8 | -177.3 | -99.3 | 0 | 0 | 0 | 113.1 | L4 V250 R256 I262 P264 | L4-F252 HydrophobicContact CD2-CE2 4.16Å; L4-F252 HydrophobicContact CD2-CZ 3.68Å; V250-F252 PolarHBondContact O-N 2.88Å; F252-R256 WeakPolarHBondContact O-CB 3.33Å; F252-R256 PolarHBondContact O-N 2.87Å; F252-I262 HydrophobicContact CD2-CD1 3.94Å; F252-I262 HydrophobicContact CD2-CG1 4.35Å; F252-I262 HydrophobicContact CE2-CD1 4.24Å; F252-I262 HydrophobicContact CE2-CG1 4.25Å; F252-I262 HydrophobicContact CE2-CG2 4.11Å; F252-P264 HydrophobicContact CE2-CB 4.41Å |
| 253 | E | 92.3 | Very high | 88.5 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.8 | -42.1 | -177.7 | -67.6 | -57 | 140.2 | 0 | 0 | 111.7 | D251 | D251-E253 PolarHBondContact O-N 3.39Å |
| 254 | E | 93.4 | Very high | 90.3 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.3 | -67.4 | -171.3 | 179.3 | 0 | 0 | 111.6 | K221 G222 D251 R256 G257 | K221-E254 WeakPolarHBondContact CB-OE2 3.39Å; G222-E254 PolarHBondContact N-OE2 3.43Å; D251-E254 HydrophobicContact CB-CB 4.23Å; D251-E254 HydrophobicContact CB-CG 4.4Å; D251-E254 PolarHBondContact O-N 3.19Å; E254-R256 PolarHBondContact O-N 3.24Å; E254-G257 PolarHBondContact O-N 3.38Å |
| 255 | A | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L225 V250 D251 G257 V258 A259 I262 | L225-A255 HydrophobicContact CD1-CB 3.52Å; V250-A255 HydrophobicContact CG1-CB 3.43Å; V250-A255 VanDerWaalsContact CG1-CB 3.43Å; D251-A255 WeakPolarHBondContact O-CB 3.49Å; D251-A255 PolarHBondContact O-N 3.07Å; A255-G257 PolarHBondContact O-N 3.35Å; A255-V258 PolarHBondContact O-N 3.01Å; A255-A259 WeakPolarHBondContact O-CB 3.41Å; A255-A259 PolarHBondContact O-N 2.84Å; A255-I262 HydrophobicContact CB-CD1 3.64Å |
| 256 | R | 93 | Very high | 92.4 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.8 | -25.4 | 175.5 | -175.4 | 179.2 | -177.8 | -170.4 | -0.1 | 112.9 | M1 A2 F252 E254 V258 | M1-R256 CarbonylContact C-O 3.56Å; M1-R256 VanDerWaalsContact CA-O 3.29Å; M1-R256 WeakPolarHBondContact CA-O 3.36Å; M1-R256 HydrophobicContact SD-CG 4.49Å; A2-R256 HydrophobicContact CB-CG 4.34Å; A2-R256 PolarHBondContact N-O 2.84Å; F252-R256 WeakPolarHBondContact O-CB 3.33Å; F252-R256 PolarHBondContact O-N 2.87Å; E254-R256 PolarHBondContact O-N 3.24Å; R256-V258 VanDerWaalsContact C-N 3.33Å |
| 257 | G | 92.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 38 Ų | 38 | 58% | 0.577 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -70.3 | -25.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E254 A255 | E254-G257 PolarHBondContact O-N 3.38Å; A255-G257 PolarHBondContact O-N 3.35Å |
| 258 | V | 94.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 36 Ų | 36 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -115 | -37.8 | -168.5 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | L225 G228 A255 R256 | L225-V258 HydrophobicContact CB-CB 4.24Å; L225-V258 HydrophobicContact CB-CG1 3.79Å; L225-V258 HydrophobicContact CD1-CB 4.47Å; G228-V258 PolarHBondContact N-O 3.12Å; A255-V258 PolarHBondContact O-N 3.01Å; R256-V258 VanDerWaalsContact C-N 3.33Å |
| 259 | A | 96 | Very high | 93.1 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | trans | -70.1 | 153.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2 V229 V231 A255 | A2-A259 VanDerWaalsContact CA-O 3.26Å; A2-A259 WeakPolarHBondContact CA-O 3.37Å; A2-A259 HydrophobicContact CB-CB 3.99Å; A2-A259 WeakPolarHBondContact CB-O 3.48Å; A2-A259 PolarHBondContact N-O 3.01Å; V229-A259 HydrophobicContact CG1-CB 4.23Å; V229-A259 CarbonylContact O-C 3.58Å; V229-A259 VanDerWaalsContact O-CA 3.29Å; V229-A259 WeakPolarHBondContact O-CA 3.5Å; V229-A259 WeakPolarHBondContact O-CB 3.32Å; V231-A259 HydrophobicContact CG2-CB 3.89Å; A255-A259 WeakPolarHBondContact O-CB 3.41Å; A255-A259 PolarHBondContact O-N 2.84Å | ||
| 260 | S | 95.8 | Very high | 93 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -79.9 | -41.4 | 168.1 | 55.6 | 0 | 0 | 0 | 0 | 111 | A2 T3 G228 V229 | A2-S260 WeakPolarHBondContact CA-O 3.22Å; T3-S260 PolarHBondContact N-O 3.45Å; G228-S260 VanDerWaalsContact O-CB 3.29Å; G228-S260 WeakPolarHBondContact O-CB 3.43Å; G228-S260 PolarHBondContact O-OG 3.36Å; V229-S260 PolarHBondContact O-N 3.21Å; V229-S260 PolarHBondContact O-OG 3.46Å |
| 261 | F | 97 | Very high | 93 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.4 | 176.9 | -66.4 | -92.9 | 0 | 0 | 0 | 110.7 | T3 I5 I157 V230 V231 | T3-F261 HydrophobicContact CG2-CD1 4.04Å; T3-F261 HydrophobicContact CG2-CE1 3.85Å; T3-F261 VanDerWaalsContact O-CA 3.24Å; T3-F261 WeakPolarHBondContact O-CA 3.14Å; I5-F261 HydrophobicContact CD1-CB 3.91Å; I5-F261 HydrophobicContact CG1-CB 3.85Å; I5-F261 HydrophobicContact CG1-CD1 4.28Å; I157-F261 HydrophobicContact CB-CD1 4.26Å; I157-F261 HydrophobicContact CB-CE1 4.07Å; I157-F261 HydrophobicContact CB-CZ 4.37Å; I157-F261 HydrophobicContact CD1-CB 3.96Å; I157-F261 HydrophobicContact CD1-CD1 4.03Å; I157-F261 HydrophobicContact CD1-CD2 3.92Å; I157-F261 HydrophobicContact CD1-CE2 4.42Å; I157-F261 HydrophobicContact CD1-CG 3.71Å; I157-F261 HydrophobicContact CG2-CD1 3.91Å; I157-F261 HydrophobicContact CG2-CE1 3.94Å; V230-F261 HydrophobicContact CG1-CB 4.1Å; V230-F261 HydrophobicContact CG2-CB 4.29Å; V230-F261 HydrophobicContact CG2-CD2 4.15Å; V231-F261 PolarHBondContact N-O 2.79Å |
| 262 | I | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.7 | 176.8 | -171.8 | 164.1 | 0 | 0 | 0 | 111.5 | A2 T3 L4 I5 V231 F252 A255 | A2-I262 HydrophobicContact CB-CB 4.27Å; A2-I262 HydrophobicContact CB-CG2 3.67Å; T3-I262 PolarHBondContact O-N 3.39Å; L4-I262 WeakPolarHBondContact CA-O 3.3Å; L4-I262 HydrophobicContact CD2-CG2 3.76Å; I5-I262 PolarHBondContact N-O 3.44Å; V231-I262 HydrophobicContact CB-CB 4.37Å; V231-I262 HydrophobicContact CB-CD1 4.31Å; V231-I262 HydrophobicContact CB-CG1 4Å; V231-I262 HydrophobicContact CG1-CD1 4.3Å; V231-I262 HydrophobicContact CG1-CG1 4.21Å; V231-I262 WeakPolarHBondContact O-CA 3.32Å; F252-I262 HydrophobicContact CD2-CD1 3.94Å; F252-I262 HydrophobicContact CD2-CG1 4.35Å; F252-I262 HydrophobicContact CE2-CD1 4.24Å; F252-I262 HydrophobicContact CE2-CG1 4.25Å; F252-I262 HydrophobicContact CE2-CG2 4.11Å; A255-I262 HydrophobicContact CB-CD1 3.64Å |
| 263 | T | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -78.4 | 135 | 170.9 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | I5 L153 V231 I232 D233 V269 | I5-T263 HydrophobicContact CB-CG2 4.1Å; I5-T263 HydrophobicContact CD1-CG2 4.19Å; L153-T263 HydrophobicContact CD1-CG2 4.01Å; V231-T263 PolarHBondContact O-N 3.36Å; V231-T263 VanDerWaalsContact O-N 3.09Å; I232-T263 HydrophobicContact CD1-CG2 3.64Å; I232-T263 HydrophobicContact CG2-CG2 4.28Å; D233-T263 PolarHBondContact N-OG1 2.94Å; T263-V269 HydrophobicContact CG2-CG2 4.44Å | ||
| 264 | P | 92.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | trans | -75.1 | 145.6 | 172.8 | 30.9 | -32.9 | 0 | 0 | 0 | 111.7 | I5 F252 P266 G267 G268 | I5-P264 VanDerWaalsContact O-CD 3.24Å; I5-P264 WeakPolarHBondContact O-CD 3.26Å; F252-P264 HydrophobicContact CE2-CB 4.41Å; P264-P266 CarbonylContact O-C 3.47Å; P264-G267 PolarHBondContact O-N 3.45Å; P264-G268 WeakPolarHBondContact O-CA 3.48Å; P264-G268 PolarHBondContact O-N 3.39Å | ||
| 265 | V | 89.8 | Confident | 93.6 | Very high | 32 Ų | 32 | 27 Ų | 27 | 19% | 0.194 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 114.8 | 169.9 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | D233 G235 | D233-V265 HydrophobicContact CB-CG2 3.84Å; G235-V265 WeakPolarHBondContact O-CG1 3.38Å |
| 266 | P | 87 | Confident | 93.8 | Very high | 84 Ų | 84 | 27.2 Ų | 27.2 | 55% | 0.545 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -79.9 | 160.2 | -3 | 33.9 | -35.6 | 0 | 0 | 0 | 113.2 | P264 | P264-P266 CarbonylContact O-C 3.47Š|
| 267 | G | 87.1 | Confident | 94 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 120.4 | -9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G7 K8 P264 | G7-G267 CarbonylContact C-O 3.58Å; G7-G267 WeakPolarHBondContact CA-O 3.4Å; G7-G267 PolarHBondContact N-O 2.6Å; K8-G267 PolarHBondContact N-O 2.82Å; K8-G267 VanDerWaalsContact N-O 3.17Å; P264-G267 PolarHBondContact O-N 3.45Å |
| 268 | G | 90.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -85.8 | -92.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G7 P264 P271 | G7-G268 WeakPolarHBondContact CA-O 3.22Å; P264-G268 WeakPolarHBondContact O-CA 3.48Å; P264-G268 PolarHBondContact O-N 3.39Å; G268-P271 WeakPolarHBondContact O-CD 3.4Å |
| 269 | V | 93.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 20 Ų | 20 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.2 | -33.2 | -168.5 | -178.6 | 0 | 0 | 0 | 0 | 113.9 | T146 L153 I232 D233 C234 T263 M272 T273 | T146-V269 HydrophobicContact CG2-CG1 3.61Å; L153-V269 HydrophobicContact CD1-CG2 4.03Å; I232-V269 HydrophobicContact CG2-CG2 3.67Å; D233-V269 WeakPolarHBondContact O-CG2 3.31Å; C234-V269 HydrophobicContact CB-CG1 4.49Å; T263-V269 HydrophobicContact CG2-CG2 4.44Å; V269-M272 WeakPolarHBondContact O-CB 3.41Å; V269-M272 PolarHBondContact O-N 2.82Å; V269-T273 PolarHBondContact O-N 3.4Å; V269-T273 PolarHBondContact O-OG1 2.7Å; V269-T273 VanDerWaalsContact O-OG1 3.1Å |
| 270 | G | 91 | Very high | 94.5 | Very high | 34 Ų | 34 | 19.9 Ų | 19.9 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.2 | -54.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M272 T273 V274 | G270-M272 PolarHBondContact O-N 2.92Å; G270-T273 WeakPolarHBondContact O-CB 3.28Å; G270-T273 PolarHBondContact O-N 3.14Å; G270-T273 VanDerWaalsContact O-N 3.15Å; G270-V274 PolarHBondContact O-N 3.21Å |
| 271 | P | 93.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 18 Ų | 18 | 23% | 0.227 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.5 | -38.2 | 174.4 | -26.8 | 34.6 | 0 | 0 | 0 | 113.5 | K8 A11 G268 V274 A275 | K8-P271 HydrophobicContact CG-CB 4.35Å; K8-P271 HydrophobicContact CG-CG 3.72Å; A11-P271 HydrophobicContact CB-CB 3.82Å; G268-P271 WeakPolarHBondContact O-CD 3.4Å; P271-V274 PolarHBondContact O-N 3.27Å; P271-A275 PolarHBondContact O-N 3.14Å |
| 272 | M | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | 178.4 | -68.6 | -61.4 | -61.8 | 0 | 0 | 112.5 | L10 A11 L14 E152 L153 V269 G270 V274 A275 M276 | L10-M272 HydrophobicContact CB-SD 3.86Å; L10-M272 HydrophobicContact CD2-CE 3.57Å; L10-M272 HydrophobicContact CD2-SD 3.74Å; L10-M272 HydrophobicContact CG-CE 3.87Å; L10-M272 HydrophobicContact CG-SD 3.67Å; A11-M272 HydrophobicContact CB-SD 3.95Å; L14-M272 HydrophobicContact CD1-CE 3.46Å; L14-M272 VanDerWaalsContact CD1-CE 3.46Å; L14-M272 HydrophobicContact CD1-SD 4.1Å; E152-M272 HydrophobicContact CB-CE 3.73Å; L153-M272 HydrophobicContact CD1-CG 4.07Å; L153-M272 HydrophobicContact CD2-CG 3.94Å; L153-M272 HydrophobicContact CG-CG 3.91Å; V269-M272 WeakPolarHBondContact O-CB 3.41Å; V269-M272 PolarHBondContact O-N 2.82Å; G270-M272 PolarHBondContact O-N 2.92Å; M272-V274 VanDerWaalsContact C-N 3.29Å; M272-V274 PolarHBondContact O-N 3.37Å; M272-A275 PolarHBondContact O-N 3.2Å; M272-M276 HydrophobicContact CE-CE 4.21Å; M272-M276 WeakPolarHBondContact O-CB 3.44Å; M272-M276 VanDerWaalsContact O-CG 3.26Å; M272-M276 WeakPolarHBondContact O-CG 3.24Å; M272-M276 PolarHBondContact O-N 2.88Å |
| 273 | T | 94.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 18.2 Ų | 18.2 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | C145 T146 V269 G270 M276 L277 | C145-T273 HydrophobicContact CB-CG2 3.88Å; C145-T273 WeakPolarHBondContact CB-O 3.37Å; T146-T273 WeakPolarHBondContact OG1-CG2 3.48Å; T146-T273 PolarHBondContact OG1-OG1 2.84Å; V269-T273 PolarHBondContact O-N 3.4Å; V269-T273 PolarHBondContact O-OG1 2.7Å; V269-T273 VanDerWaalsContact O-OG1 3.1Å; G270-T273 WeakPolarHBondContact O-CB 3.28Å; G270-T273 PolarHBondContact O-N 3.14Å; G270-T273 VanDerWaalsContact O-N 3.15Å; T273-M276 PolarHBondContact O-N 3.25Å; T273-L277 PolarHBondContact O-N 3.43Å |
| 274 | V | 95.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 18.4 Ų | 18.4 | 15% | 0.152 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.5 | -179 | 0 | 0 | 0 | 0 | 111.3 | K54 A57 G270 P271 M272 M276 L277 L278 | K54-V274 HydrophobicContact CG-CG1 4.46Å; K54-V274 HydrophobicContact CG-CG2 4.34Å; A57-V274 HydrophobicContact CB-CG1 3.7Å; G270-V274 PolarHBondContact O-N 3.21Å; P271-V274 PolarHBondContact O-N 3.27Å; M272-V274 VanDerWaalsContact C-N 3.29Å; M272-V274 PolarHBondContact O-N 3.37Å; V274-M276 VanDerWaalsContact C-N 3.32Å; V274-M276 PolarHBondContact O-N 2.74Å; V274-L277 WeakPolarHBondContact O-CB 3.4Å; V274-L277 PolarHBondContact O-N 2.65Å; V274-L278 HydrophobicContact CG1-CD1 4.39Å; V274-L278 WeakPolarHBondContact O-CG 3.24Å; V274-L278 PolarHBondContact O-N 2.8Å; V274-L278 VanDerWaalsContact O-N 3.1Å |
| 275 | A | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A11 L14 P271 M272 L278 Q279 | A11-A275 HydrophobicContact CB-CB 3.98Å; L14-A275 HydrophobicContact CB-CB 4.47Å; L14-A275 HydrophobicContact CD1-CB 4.48Å; P271-A275 PolarHBondContact O-N 3.14Å; M272-A275 PolarHBondContact O-N 3.2Å; A275-L278 PolarHBondContact O-N 2.67Å; A275-Q279 WeakPolarHBondContact O-CB 3.48Å; A275-Q279 PolarHBondContact O-N 2.91Å |
| 276 | M | 97.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.5 | -37.6 | 177.2 | -67 | -59 | 96.6 | 0 | 0 | 112.6 | L14 C145 N148 E152 M272 T273 V274 L278 Q279 N280 | L14-M276 HydrophobicContact CD1-CE 3.5Å; L14-M276 VanDerWaalsContact CD1-CE 3.5Å; C145-M276 HydrophobicContact CB-CB 3.92Å; C145-M276 WeakPolarHBondContact O-CB 3.15Å; C145-M276 WeakPolarHBondContact O-CG 3.43Å; N148-M276 HydrophobicContact CB-CB 4.49Å; N148-M276 HydrophobicContact CB-CG 4.03Å; N148-M276 HydrophobicContact CB-SD 4.06Å; N148-M276 PolarHBondContact ND2-SD 3.45Å; E152-M276 HydrophobicContact CG-CE 4.29Å; E152-M276 HydrophobicContact CG-SD 4.01Å; M272-M276 HydrophobicContact CE-CE 4.21Å; M272-M276 WeakPolarHBondContact O-CB 3.44Å; M272-M276 VanDerWaalsContact O-CG 3.26Å; M272-M276 WeakPolarHBondContact O-CG 3.24Å; M272-M276 PolarHBondContact O-N 2.88Å; T273-M276 PolarHBondContact O-N 3.25Å; V274-M276 VanDerWaalsContact C-N 3.32Å; V274-M276 PolarHBondContact O-N 2.74Å; M276-L278 VanDerWaalsContact C-N 3.29Å; M276-L278 PolarHBondContact O-N 3.27Å; M276-Q279 HydrophobicContact CE-CB 4.45Å; M276-Q279 WeakPolarHBondContact O-CB 3.48Å; M276-Q279 PolarHBondContact O-N 3.44Å; M276-Q279 VanDerWaalsContact O-N 3.15Å; M276-N280 PolarHBondContact O-N 3.27Å |
| 277 | L | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 171.7 | 171.7 | 64.6 | 0 | 0 | 0 | 111.3 | L36 K54 I96 V122 C145 T273 V274 Q279 N280 T281 | L36-L277 HydrophobicContact CD1-CD1 4.48Å; L36-L277 HydrophobicContact CD2-CD2 4.29Å; K54-L277 HydrophobicContact CD-CD2 3.87Å; K54-L277 HydrophobicContact CG-CD2 4.11Å; I96-L277 HydrophobicContact CD1-CD2 4.13Å; I96-L277 HydrophobicContact CG2-CD1 3.53Å; V122-L277 HydrophobicContact CB-CD1 4.04Å; V122-L277 HydrophobicContact CG2-CD1 3.52Å; C145-L277 WeakPolarHBondContact SG-CA 3.37Å; C145-L277 PolarHBondContact SG-N 3.42Å; C145-L277 VanDerWaalsContact SG-N 3.42Å; T273-L277 PolarHBondContact O-N 3.43Å; V274-L277 WeakPolarHBondContact O-CB 3.4Å; V274-L277 PolarHBondContact O-N 2.65Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-N280 PolarHBondContact O-N 3.5Å; L277-T281 WeakPolarHBondContact O-CB 3.41Å; L277-T281 PolarHBondContact O-N 3.25Å; L277-T281 PolarHBondContact O-OG1 2.92Å |
| 278 | L | 98.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 176.6 | -64.6 | 177.5 | 0 | 0 | 0 | 111.6 | K15 L18 A57 A58 I61 V63 V274 A275 M276 T281 V282 | K15-L278 HydrophobicContact CG-CD1 4.46Å; L18-L278 HydrophobicContact CD1-CB 3.95Å; A57-L278 HydrophobicContact CB-CD1 3.87Å; A58-L278 HydrophobicContact CB-CD2 3.65Å; I61-L278 HydrophobicContact CD1-CB 3.79Å; I61-L278 HydrophobicContact CD1-CD1 3.8Å; I61-L278 HydrophobicContact CD1-CD2 4.31Å; I61-L278 HydrophobicContact CD1-CG 4.16Å; I61-L278 HydrophobicContact CG1-CD1 4.28Å; V63-L278 HydrophobicContact CG2-CD2 4.49Å; V274-L278 HydrophobicContact CG1-CD1 4.39Å; V274-L278 WeakPolarHBondContact O-CG 3.24Å; V274-L278 PolarHBondContact O-N 2.8Å; V274-L278 VanDerWaalsContact O-N 3.1Å; A275-L278 PolarHBondContact O-N 2.67Å; M276-L278 VanDerWaalsContact C-N 3.29Å; M276-L278 PolarHBondContact O-N 3.27Å; L278-T281 PolarHBondContact O-N 2.86Å; L278-V282 VanDerWaalsContact O-CG2 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.37Å; L278-V282 PolarHBondContact O-N 3.16Å |
| 279 | Q | 97.7 | Very high | 93.2 | Very high | 23 Ų | 23 | 21.3 Ų | 21.3 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.9 | -179.9 | 60.4 | 89.2 | 0 | 0 | 111.8 | L18 A275 M276 L277 V282 N283 | L18-Q279 HydrophobicContact CD1-CB 4.23Å; L18-Q279 HydrophobicContact CD2-CB 4.36Å; L18-Q279 VanDerWaalsContact CD2-CD 3.46Å; L18-Q279 VanDerWaalsContact CD2-NE2 3.33Å; L18-Q279 VanDerWaalsContact CD2-OE1 3.26Å; A275-Q279 WeakPolarHBondContact O-CB 3.48Å; A275-Q279 PolarHBondContact O-N 2.91Å; M276-Q279 HydrophobicContact CE-CB 4.45Å; M276-Q279 WeakPolarHBondContact O-CB 3.48Å; M276-Q279 PolarHBondContact O-N 3.44Å; M276-Q279 VanDerWaalsContact O-N 3.15Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; Q279-V282 PolarHBondContact O-N 3.44Å; Q279-N283 PolarHBondContact NE2-OD1 3.26Å; Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 3.38Å; Q279-N283 PolarHBondContact O-ND2 3.26Å; Q279-N283 PolarHBondContact O-OD1 3.4Å |
| 280 | N | 97.6 | Very high | 92 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.1 | -72.1 | -6.7 | 0 | 0 | 0 | 111.1 | V122 M142 I143 M276 L277 V282 N283 A284 | V122-N280 HydrophobicContact CB-CB 3.9Å; V122-N280 HydrophobicContact CG1-CB 4.19Å; V122-N280 VanDerWaalsContact O-CB 3.3Å; V122-N280 WeakPolarHBondContact O-CB 3.4Å; V122-N280 PolarHBondContact O-ND2 3.48Å; M142-N280 HydrophobicContact SD-CB 4.28Å; I143-N280 PolarHBondContact O-ND2 2.94Å; M276-N280 PolarHBondContact O-N 3.27Å; L277-N280 PolarHBondContact O-N 3.5Å; N280-V282 PolarHBondContact O-N 3.07Å; N280-N283 PolarHBondContact O-N 3.37Å; N280-A284 WeakPolarHBondContact O-CB 3.38Å; N280-A284 PolarHBondContact O-N 2.86Å |
| 281 | T | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | P34 L36 V63 L277 L278 A284 A285 | P34-T281 HydrophobicContact CB-CG2 4.33Å; L36-T281 HydrophobicContact CB-CG2 4.12Å; V63-T281 HydrophobicContact CG1-CG2 4.1Å; L277-T281 WeakPolarHBondContact O-CB 3.41Å; L277-T281 PolarHBondContact O-N 3.25Å; L277-T281 PolarHBondContact O-OG1 2.92Å; L278-T281 PolarHBondContact O-N 2.86Å; T281-A284 PolarHBondContact O-N 3.39Å; T281-A285 WeakPolarHBondContact O-CB 3.33Å; T281-A285 PolarHBondContact O-N 2.81Å |
| 282 | V | 97.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L18 I22 P34 I61 V63 L278 Q279 N280 A285 E286 | L18-V282 HydrophobicContact CD2-CB 4.13Å; L18-V282 HydrophobicContact CD2-CG1 4.22Å; L18-V282 HydrophobicContact CD2-CG2 4.23Å; I22-V282 HydrophobicContact CD1-CG2 3.77Å; I22-V282 HydrophobicContact CG1-CG1 4.2Å; I22-V282 HydrophobicContact CG1-CG2 4.08Å; P34-V282 HydrophobicContact CG-CG2 4.27Å; I61-V282 HydrophobicContact CD1-CG2 4.48Å; V63-V282 HydrophobicContact CG2-CG2 4.2Å; L278-V282 VanDerWaalsContact O-CG2 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.37Å; L278-V282 PolarHBondContact O-N 3.16Å; Q279-V282 PolarHBondContact O-N 3.44Å; N280-V282 PolarHBondContact O-N 3.07Å; V282-A285 PolarHBondContact O-N 3.31Å; V282-E286 HydrophobicContact CG1-CG 4.19Å; V282-E286 WeakPolarHBondContact O-CB 3.35Å; V282-E286 WeakPolarHBondContact O-CG 3.43Å; V282-E286 PolarHBondContact O-N 3.01Å |
| 283 | N | 94.9 | Very high | 88 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.3 | -70.8 | -13.5 | 0 | 0 | 0 | 111.8 | R21 Q279 N280 A285 E286 S287 | R21-N283 PolarHBondContact NH2-OD1 3.35Å; Q279-N283 PolarHBondContact NE2-OD1 3.26Å; Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 3.38Å; Q279-N283 PolarHBondContact O-ND2 3.26Å; Q279-N283 PolarHBondContact O-OD1 3.4Å; N280-N283 PolarHBondContact O-N 3.37Å; N283-A285 PolarHBondContact O-N 3.5Å; N283-E286 PolarHBondContact O-N 2.67Å; N283-S287 WeakPolarHBondContact O-CB 3.31Å; N283-S287 PolarHBondContact O-N 3.42Å |
| 284 | A | 94 | Very high | 87.5 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H93 V122 M142 N280 T281 S287 E288 | H93-A284 HydrophobicContact CB-CB 4.43Å; H93-A284 WeakPolarHBondContact O-CB 3.28Å; V122-A284 HydrophobicContact CG1-CB 4.3Å; M142-A284 HydrophobicContact CE-CB 3.85Å; N280-A284 WeakPolarHBondContact O-CB 3.38Å; N280-A284 PolarHBondContact O-N 2.86Å; T281-A284 PolarHBondContact O-N 3.39Å; A284-S287 PolarHBondContact O-N 3.22Å; A284-S287 PolarHBondContact O-OG 2.9Å; A284-E288 PolarHBondContact O-N 3.26Å |
| 285 | A | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F32 P34 H93 T281 V282 N283 S287 E288 V289 | F32-A285 HydrophobicContact CE2-CB 3.67Å; F32-A285 WeakPolarHBondContact CE2-O 3.36Å; F32-A285 HydrophobicContact CZ-CB 3.77Å; P34-A285 HydrophobicContact CB-CB 3.61Å; P34-A285 HydrophobicContact CG-CB 3.87Å; H93-A285 HydrophobicContact CB-CB 3.92Å; H93-A285 VanDerWaalsContact CD2-CA 3.43Å; H93-A285 WeakPolarHBondContact CD2-CA 3.15Å; T281-A285 WeakPolarHBondContact O-CB 3.33Å; T281-A285 PolarHBondContact O-N 2.81Å; V282-A285 PolarHBondContact O-N 3.31Å; N283-A285 PolarHBondContact O-N 3.5Å; A285-S287 VanDerWaalsContact C-N 3.27Å; A285-S287 PolarHBondContact O-N 2.99Å; A285-E288 PolarHBondContact O-N 3.15Å; A285-V289 PolarHBondContact O-N 3.33Å |
| 286 | E | 91 | Very high | 86.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 175.3 | -77 | -179.6 | -174.5 | 0 | 0 | 111.5 | R21 V25 F32 V282 N283 E288 V289 N290 | R21-E286 IonicContact CZ-OE1 2.73Å; R21-E286 IonicContact CZ-OE2 3.95Å; R21-E286 IonicContact NE-OE1 2.84Å; R21-E286 PolarHBondContact NE-OE1 3.2Å; R21-E286 IonicContact NE-OE2 3.22Å; R21-E286 VanDerWaalsContact NH2-CD 3.32Å; R21-E286 IonicContact NH2-OE1 3.54Å; R21-E286 PolarHBondContact NH2-OE1 2.77Å; R21-E286 IonicContact NH2-OE2 2.79Å; R21-E286 PolarHBondContact NH2-OE2 2.89Å; V25-E286 HydrophobicContact CG2-CG 4.25Å; F32-E286 HydrophobicContact CE1-CG 4.5Å; F32-E286 HydrophobicContact CZ-CG 3.96Å; V282-E286 HydrophobicContact CG1-CG 4.19Å; V282-E286 WeakPolarHBondContact O-CB 3.35Å; V282-E286 WeakPolarHBondContact O-CG 3.43Å; V282-E286 PolarHBondContact O-N 3.01Å; N283-E286 PolarHBondContact O-N 2.67Å; E286-E288 VanDerWaalsContact C-N 3.26Å; E286-E288 PolarHBondContact O-N 2.95Å; E286-V289 PolarHBondContact O-N 3.45Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.42Å; E286-N290 PolarHBondContact O-ND2 3.28Å; E286-N290 VanDerWaalsContact O-ND2 3.08Å |
| 287 | S | 83 | Confident | 86.6 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 178 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | N283 A284 A285 L291 | N283-S287 WeakPolarHBondContact O-CB 3.31Å; N283-S287 PolarHBondContact O-N 3.42Å; A284-S287 PolarHBondContact O-N 3.22Å; A284-S287 PolarHBondContact O-OG 2.9Å; A285-S287 VanDerWaalsContact C-N 3.27Å; A285-S287 PolarHBondContact O-N 2.99Å; S287-L291 PolarHBondContact O-N 3.11Å |
| 288 | E | 77.4 | Confident | 86.4 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 175.7 | -169.2 | 173.3 | 167.8 | 0 | 0 | 111.5 | H93 A284 A285 E286 L291 | H93-E288 IonicContact CD2-OE2 2.71Å; H93-E288 PolarHBondContact CD2-OE2 3.39Å; H93-E288 IonicContact NE2-OE2 3.15Å; A284-E288 PolarHBondContact O-N 3.26Å; A285-E288 PolarHBondContact O-N 3.15Å; E286-E288 VanDerWaalsContact C-N 3.26Å; E286-E288 PolarHBondContact O-N 2.95Å; E288-L291 WeakPolarHBondContact O-CD1 3.45Å; E288-L291 WeakPolarHBondContact O-CG 3.41Å |
| 289 | V | 77.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.2 | -34.8 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | V25 H29 F32 A285 E286 L291 | V25-V289 HydrophobicContact CG1-CG1 4.17Å; H29-V289 WeakPolarHBondContact CD2-CG1 3.17Å; H29-V289 VanDerWaalsContact NE2-CG1 3.31Å; H29-V289 WeakPolarHBondContact NE2-CG1 3.41Å; F32-V289 HydrophobicContact CD2-CG2 3.35Å; F32-V289 HydrophobicContact CE2-CG2 3.51Å; F32-V289 HydrophobicContact CG-CG2 4.34Å; A285-V289 PolarHBondContact O-N 3.33Å; E286-V289 PolarHBondContact O-N 3.45Å; V289-L291 VanDerWaalsContact C-N 3.25Å; V289-L291 PolarHBondContact O-N 3.06Å |
| 290 | N | 68.8 | Low | 86 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 60% | 0.599 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.3 | 179.8 | -66.5 | -37.1 | 0 | 0 | 0 | 112.8 | E286 | E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.42Å; E286-N290 PolarHBondContact O-ND2 3.28Å; E286-N290 VanDerWaalsContact O-ND2 3.08Å |
| 291 | L | 64.1 | Low | 85.8 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 59% | 0.586 | 35% | 0.346 | S | S | * | . | trans | -47.2 | 138.6 | 172.7 | -87.4 | 168.2 | 0 | 0 | 0 | 109.5 | S287 E288 V289 K293 | S287-L291 PolarHBondContact O-N 3.11Å; E288-L291 WeakPolarHBondContact O-CD1 3.45Å; E288-L291 WeakPolarHBondContact O-CG 3.41Å; V289-L291 VanDerWaalsContact C-N 3.25Å; V289-L291 PolarHBondContact O-N 3.06Å; L291-K293 PolarHBondContact O-N 3.45Å | ||
| 292 | P | 60.3 | Low | 85.7 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | trans | -53.7 | 131.4 | 179.9 | -21.4 | 30.9 | 0 | 0 | 0 | 109.5 | S294 | P292-S294 WeakPolarHBondContact CB-O 3.26Å; P292-S294 PolarHBondContact O-N 2.95Å; P292-S294 VanDerWaalsContact O-N 3.15Å | ||
| 293 | K | 72.4 | Confident | 85.5 | Confident | 161 Ų | 161 | 75.9 Ų | 75.9 | 70% | 0.7 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -56.1 | -33.1 | 177.7 | -73.6 | -170.5 | 168.8 | -155.4 | 0 | 111.9 | L291 N396 D654 | L291-K293 PolarHBondContact O-N 3.45Å; K293-N396 PolarHBondContact O-ND2 2.81Å; K293-N396 PolarHBondContact O-OD1 2.8Å; K293-D654 IonicContact NZ-OD2 2.74Å; K293-D654 PolarHBondContact NZ-OD2 2.85Å |
| 294 | S | 83 | Confident | 85.4 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 42% | 0.42 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -93.2 | 131.3 | 173.2 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | P292 N396 | P292-S294 WeakPolarHBondContact CB-O 3.26Å; P292-S294 PolarHBondContact O-N 2.95Å; P292-S294 VanDerWaalsContact O-N 3.15Å; S294-N396 VanDerWaalsContact CA-OD1 3.31Å; S294-N396 WeakPolarHBondContact CA-OD1 3.41Å |
| 295 | W | 90.8 | Very high | 85.5 | Confident | 34 Ų | 34 | 82.6 Ų | 82.6 | 13% | 0.129 | 42% | 0.417 | C | S | . | . | trans | -62.5 | 140.2 | 175.5 | -64.7 | -32.7 | 0 | 0 | 0 | 112.6 | L297 A329 I330 N396 I398 P623 L650 V651 | W295-L297 HydrophobicContact CB-CD1 4.45Å; W295-L297 HydrophobicContact CB-CG 3.98Å; W295-L297 HydrophobicContact CE3-CD1 4.09Å; W295-L297 PolarHBondContact O-N 3.17Å; W295-A329 WeakPolarHBondContact CB-O 3.27Å; W295-I330 HydrophobicContact CD2-CB 3.97Å; W295-I330 HydrophobicContact CD2-CG2 3.76Å; W295-I330 HydrophobicContact CE3-CB 4.18Å; W295-I330 HydrophobicContact CE3-CG2 3.56Å; W295-I330 HydrophobicContact CG-CG2 4.38Å; W295-I330 HydrophobicContact CH2-CB 4.05Å; W295-I330 HydrophobicContact CH2-CG2 4.06Å; W295-I330 HydrophobicContact CZ2-CB 3.83Å; W295-I330 HydrophobicContact CZ2-CG2 4.24Å; W295-I330 HydrophobicContact CZ3-CB 4.23Å; W295-I330 HydrophobicContact CZ3-CG2 3.73Å; W295-N396 HydrophobicContact CD2-CB 3.76Å; W295-N396 VanDerWaalsContact CD2-CG 3.43Å; W295-N396 HydrophobicContact CE3-CB 3.74Å; W295-N396 HydrophobicContact CG-CB 4.44Å; W295-N396 HydrophobicContact CH2-CB 4.05Å; W295-N396 HydrophobicContact CZ2-CB 4.05Å; W295-N396 HydrophobicContact CZ3-CB 3.89Å; W295-N396 PolarHBondContact N-OD1 2.87Å; W295-N396 PolarHBondContact NE1-ND2 2.8Å; W295-I398 HydrophobicContact CH2-CD1 3.56Å; W295-I398 HydrophobicContact CH2-CG1 3.63Å; W295-I398 HydrophobicContact CZ2-CD1 4.43Å; W295-I398 HydrophobicContact CZ3-CD1 4.32Å; W295-I398 HydrophobicContact CZ3-CG1 3.92Å; W295-P623 HydrophobicContact CE3-CG 4.42Å; W295-P623 HydrophobicContact CZ3-CG 3.78Å; W295-L650 HydrophobicContact CZ2-CB 4.12Å; W295-L650 WeakPolarHBondContact CZ2-O 3.36Å; W295-V651 HydrophobicContact CH2-CB 4.3Å; W295-V651 HydrophobicContact CH2-CG1 3.54Å; W295-V651 HydrophobicContact CZ2-CB 4.46Å; W295-V651 HydrophobicContact CZ2-CG1 4.15Å; W295-V651 HydrophobicContact CZ3-CG1 4.33Å | ||
| 296 | P | 89.6 | Confident | 85.4 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | trans | -77.7 | 53.8 | 173.1 | 34.9 | -38 | 0 | 0 | 0 | 111.5 | V298 A329 | P296-V298 PolarHBondContact O-N 3.36Å; P296-A329 WeakPolarHBondContact CD-O 3.31Å; P296-A329 HydrophobicContact CG-CB 4.4Å | ||
| 297 | L | 92.2 | Very high | 85.5 | Confident | 25 Ų | 25 | 92.8 Ų | 92.8 | 13% | 0.131 | 49% | 0.488 | C | S | . | . | trans | -67.1 | 130.5 | 177.3 | -72.2 | 173.3 | 0 | 0 | 0 | 110.5 | W295 I299 I326 A329 I330 N390 | W295-L297 HydrophobicContact CB-CD1 4.45Å; W295-L297 HydrophobicContact CB-CG 3.98Å; W295-L297 HydrophobicContact CE3-CD1 4.09Å; W295-L297 PolarHBondContact O-N 3.17Å; L297-I299 HydrophobicContact CB-CD1 3.89Å; L297-I299 PolarHBondContact O-N 3.15Å; L297-I299 VanDerWaalsContact O-N 3.08Å; L297-I326 HydrophobicContact CD2-CG2 4.4Å; L297-A329 HydrophobicContact CD2-CB 3.89Å; L297-I330 HydrophobicContact CD2-CG2 3.96Å; L297-N390 WeakPolarHBondContact CD1-OD1 3.31Å | ||
| 298 | V | 93.4 | Very high | 86 | Confident | 91 Ų | 91 | 91 Ų | 91 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | trans | -79 | 91.9 | 169.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | P296 R300 | P296-V298 PolarHBondContact O-N 3.36Å; V298-R300 PolarHBondContact O-N 3.35Å | ||
| 299 | I | 94.5 | Very high | 86.7 | Confident | 69 Ų | 69 | 89 Ų | 89 | 35% | 0.354 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 121.3 | 177.4 | -57.6 | -50.7 | 0 | 0 | 0 | 109.7 | L297 V391 E620 | L297-I299 HydrophobicContact CB-CD1 3.89Å; L297-I299 PolarHBondContact O-N 3.15Å; L297-I299 VanDerWaalsContact O-N 3.08Å; I299-V391 HydrophobicContact CD1-CG2 4.05Å; I299-V391 HydrophobicContact CG1-CG2 4.4Å; I299-V391 HydrophobicContact CG2-CG1 4.08Å; I299-V391 HydrophobicContact CG2-CG2 3.76Å; I299-E620 WeakPolarHBondContact CA-O 3.38Å; I299-E620 HydrophobicContact CG2-CB 4.1Å |
| 300 | R | 93.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 32% | 0.317 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 136.4 | 178.1 | -61.3 | -68.4 | -178.5 | -174 | -6.5 | 110.5 | V298 S321 E325 E620 | V298-R300 PolarHBondContact O-N 3.35Å; R300-S321 PolarHBondContact NE-OG 3.38Å; R300-S321 PolarHBondContact NH2-OG 2.86Å; R300-E325 IonicContact NH2-OE2 3.75Å; R300-E620 PolarHBondContact N-O 2.96Å |
| 301 | E | 93.5 | Very high | 88.4 | Confident | 170 Ų | 170 | 86.6 Ų | 86.6 | 79% | 0.794 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 137.3 | 170.2 | -170.1 | -179.3 | 178.9 | 0 | 0 | 109.9 | Q318 | E301-Q318 PolarHBondContact O-NE2 2.96Å; E301-Q318 VanDerWaalsContact O-NE2 3.09Å; E301-Q318 PolarHBondContact O-OE1 2.81Å |
| 302 | V | 94 | Very high | 89.6 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | trans | -113.6 | 121.6 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | H304 Y421 L619 E620 | V302-H304 PolarHBondContact O-N 3.45Å; V302-H304 VanDerWaalsContact O-N 3.16Å; V302-H304 PolarHBondContact O-ND1 3.13Å; V302-Y421 HydrophobicContact CG1-CD1 3.45Å; V302-Y421 VanDerWaalsContact CG1-CD1 3.45Å; V302-Y421 HydrophobicContact CG1-CE1 3.98Å; V302-Y421 HydrophobicContact CG1-CG 4.4Å; V302-L619 HydrophobicContact CG2-CB 3.83Å; V302-E620 HydrophobicContact CG2-CG 3.8Å | ||
| 303 | R | 93 | Very high | 91 | Very high | 211 Ų | 211 | 80.2 Ų | 80.2 | 80% | 0.796 | 43% | 0.426 | S | S | * | . | trans | -81.4 | 94.5 | 179 | -68.5 | -176.6 | -178.6 | 176.6 | 1.8 | 110.5 | ||||
| 304 | H | 94.2 | Very high | 92.1 | Very high | 93 Ų | 93 | 73 Ų | 73 | 43% | 0.431 | 40% | 0.395 | S | S | . | . | trans | -71.3 | 137.9 | 177.4 | -62.5 | 76.7 | 0 | 0 | 0 | 111 | V302 Y421 A780 | V302-H304 PolarHBondContact O-N 3.45Å; V302-H304 VanDerWaalsContact O-N 3.16Å; V302-H304 PolarHBondContact O-ND1 3.13Å; H304-Y421 HydrophobicContact CB-CE2 4.41Å; H304-Y421 AromaticContact CD2-CD1 3.88Å; H304-Y421 AromaticContact CD2-CD2 3.51Å; H304-Y421 AromaticContact CD2-CE2 3.81Å; H304-Y421 AromaticContact CD2-CG 3.54Å; H304-Y421 AromaticContact NE2-CG 3.77Å; H304-A780 PolarHBondContact CD2-O 2.67Å | ||
| 305 | Q | 94.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 70.4 Ų | 70.4 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | trans | -126.2 | 149.3 | 177.3 | -62.4 | -178.8 | 45 | 0 | 0 | 109.6 | P309 Y421 | Q305-P309 HydrophobicContact CB-CG 4.04Å; Q305-Y421 PolarHBondContact N-OH 3.49Å; Q305-Y421 PolarHBondContact O-OH 3.32Å | ||
| 306 | S | 92.3 | Very high | 92.6 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 86% | 0.86 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -132.2 | 127.8 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 307 | P | 92.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 76% | 0.76 | 39% | 0.387 | S | S | * | . | S | Bend | cis | -62.6 | 154.4 | -2.8 | 29.2 | -35.7 | 0 | 0 | 0 | 112.2 | P309 | P307-P309 WeakPolarHBondContact O-CD 3.46Š|
| 308 | V | 94 | Very high | 93 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.4 | -179 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | I314 Y421 W779 A780 | V308-I314 HydrophobicContact CG1-CD1 3.7Å; V308-Y421 HydrophobicContact CG1-CD2 4.4Å; V308-Y421 HydrophobicContact CG1-CE2 3.9Å; V308-Y421 HydrophobicContact CG2-CE2 4.22Å; V308-W779 HydrophobicContact CB-CE3 4.49Å; V308-W779 HydrophobicContact CB-CH2 3.41Å; V308-W779 VanDerWaalsContact CB-CH2 3.41Å; V308-W779 HydrophobicContact CB-CZ2 3.95Å; V308-W779 HydrophobicContact CB-CZ3 3.71Å; V308-W779 HydrophobicContact CG1-CE3 4.49Å; V308-W779 HydrophobicContact CG1-CH2 3.72Å; V308-W779 HydrophobicContact CG1-CZ2 3.72Å; V308-W779 HydrophobicContact CG1-CZ3 4.1Å; V308-W779 HydrophobicContact CG2-CE3 4.09Å; V308-W779 HydrophobicContact CG2-CH2 3.77Å; V308-W779 HydrophobicContact CG2-CZ3 3.48Å; V308-W779 VanDerWaalsContact CG2-CZ3 3.48Å; V308-A780 HydrophobicContact CG2-CB 4Å |
| 309 | P | 93.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 171.6 | 177.4 | -18.3 | 30.8 | 0 | 0 | 0 | 112.3 | Q305 P307 A313 I314 Y421 | Q305-P309 HydrophobicContact CB-CG 4.04Å; P307-P309 WeakPolarHBondContact O-CD 3.46Å; P309-A313 HydrophobicContact CB-CB 4.16Å; P309-I314 HydrophobicContact CB-CG1 4.09Å; P309-I314 HydrophobicContact CG-CG1 4.22Å; P309-I314 WeakPolarHBondContact O-CD1 3.36Å; P309-Y421 WeakPolarHBondContact CD-OH 3.37Å |
| 310 | S | 90.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 148.9 | 171.4 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | I312 A313 I314 | S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 2.96Å; S310-A313 WeakPolarHBondContact O-CA 3.24Å; S310-A313 WeakPolarHBondContact O-CB 3.37Å; S310-A313 PolarHBondContact O-N 2.66Å; S310-A313 VanDerWaalsContact OG-CB 3.25Å; S310-A313 WeakPolarHBondContact OG-CB 3.22Å; S310-I314 PolarHBondContact O-N 2.83Å |
| 311 | D | 90.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.8 | -44.3 | -175.9 | -64.4 | -12.9 | 0 | 0 | 0 | 113.1 | A313 I314 S315 G419 G420 Q423 M427 | D311-A313 VanDerWaalsContact C-N 3.34Å; D311-A313 PolarHBondContact O-N 3.46Å; D311-I314 PolarHBondContact O-N 3.02Å; D311-S315 PolarHBondContact O-N 2.81Å; D311-G419 WeakPolarHBondContact OD2-CA 3.44Å; D311-G420 PolarHBondContact OD1-N 2.79Å; D311-Q423 PolarHBondContact O-NE2 3.49Å; D311-Q423 PolarHBondContact O-OE1 3.04Å; D311-M427 HydrophobicContact CB-CE 3.65Å; D311-M427 HydrophobicContact CB-SD 4.19Å |
| 312 | I | 88.7 | Confident | 93.5 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 9% | 0.092 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 176.7 | -169.7 | 60.1 | 0 | 0 | 0 | 113.1 | S310 S315 K316 M427 L926 | S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 2.96Å; I312-S315 PolarHBondContact O-N 2.83Å; I312-K316 HydrophobicContact CD1-CG 4.48Å; I312-K316 HydrophobicContact CG1-CD 4.44Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.19Å; I312-K316 PolarHBondContact O-N 3.45Å; I312-M427 HydrophobicContact CB-SD 4.35Å; I312-M427 HydrophobicContact CD1-CB 4.29Å; I312-M427 HydrophobicContact CD1-SD 4.3Å; I312-L926 WeakPolarHBondContact CB-O 3.41Å |
| 313 | A | 90.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P309 S310 D311 A317 | P309-A313 HydrophobicContact CB-CB 4.16Å; S310-A313 WeakPolarHBondContact O-CA 3.24Å; S310-A313 WeakPolarHBondContact O-CB 3.37Å; S310-A313 PolarHBondContact O-N 2.66Å; S310-A313 VanDerWaalsContact OG-CB 3.25Å; S310-A313 WeakPolarHBondContact OG-CB 3.22Å; D311-A313 VanDerWaalsContact C-N 3.34Å; D311-A313 PolarHBondContact O-N 3.46Å; A313-A317 VanDerWaalsContact O-CB 3.24Å; A313-A317 WeakPolarHBondContact O-CB 3.45Å; A313-A317 PolarHBondContact O-N 3.43Å |
| 314 | I | 94.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.6 | -66 | 162.7 | 0 | 0 | 0 | 110.2 | V308 P309 S310 D311 K316 A317 Q318 Y421 L619 | V308-I314 HydrophobicContact CG1-CD1 3.7Å; P309-I314 HydrophobicContact CB-CG1 4.09Å; P309-I314 HydrophobicContact CG-CG1 4.22Å; P309-I314 WeakPolarHBondContact O-CD1 3.36Å; S310-I314 PolarHBondContact O-N 2.83Å; D311-I314 PolarHBondContact O-N 3.02Å; I314-K316 PolarHBondContact O-N 3.25Å; I314-A317 PolarHBondContact O-N 2.96Å; I314-Q318 PolarHBondContact O-N 3.29Å; I314-Y421 HydrophobicContact CD1-CD1 4.47Å; I314-Y421 HydrophobicContact CD1-CE1 4.17Å; I314-Y421 HydrophobicContact CD1-CE2 4.37Å; I314-Y421 HydrophobicContact CG1-CE1 4.07Å; I314-Y421 HydrophobicContact CG2-CD1 3.75Å; I314-Y421 HydrophobicContact CG2-CE1 3.82Å; I314-L619 HydrophobicContact CG2-CD1 3.65Å; I314-L619 HydrophobicContact CG2-CD2 3.92Å; I314-L619 HydrophobicContact CG2-CG 4.49Å |
| 315 | S | 93.9 | Very high | 94 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 178.7 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | D311 I312 Q318 I425 M427 | D311-S315 PolarHBondContact O-N 2.81Å; I312-S315 PolarHBondContact O-N 2.83Å; S315-Q318 PolarHBondContact O-N 3.19Å; S315-I425 VanDerWaalsContact OG-CG2 3.23Å; S315-I425 WeakPolarHBondContact OG-CG2 3.33Å; S315-M427 WeakPolarHBondContact OG-CB 3.35Å; S315-M427 PolarHBondContact OG-N 3.19Å |
| 316 | K | 91.4 | Very high | 94.1 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | 179.2 | -73.4 | -175.2 | 173.3 | -163.2 | 0 | 114.1 | I312 I314 Q318 E922 V923 | I312-K316 HydrophobicContact CD1-CG 4.48Å; I312-K316 HydrophobicContact CG1-CD 4.44Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.19Å; I312-K316 PolarHBondContact O-N 3.45Å; I314-K316 PolarHBondContact O-N 3.25Å; K316-Q318 PolarHBondContact O-N 3.23Å; K316-E922 IonicContact NZ-OE2 3.79Å; K316-E922 PolarHBondContact NZ-OE2 2.83Å; K316-V923 WeakPolarHBondContact CE-O 3.19Å; K316-V923 PolarHBondContact NZ-O 2.76Å |
| 317 | A | 93.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.7 | -14.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A313 I314 | A313-A317 VanDerWaalsContact O-CB 3.24Å; A313-A317 WeakPolarHBondContact O-CB 3.45Å; A313-A317 PolarHBondContact O-N 3.43Å; I314-A317 PolarHBondContact O-N 2.96Å |
| 318 | Q | 95.5 | Very high | 94.3 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -99.8 | 130.7 | -178.9 | -168.4 | 63.3 | 18.7 | 0 | 0 | 111.4 | E301 I314 S315 K316 P320 I425 L619 | E301-Q318 PolarHBondContact O-NE2 2.96Å; E301-Q318 VanDerWaalsContact O-NE2 3.09Å; E301-Q318 PolarHBondContact O-OE1 2.81Å; I314-Q318 PolarHBondContact O-N 3.29Å; S315-Q318 PolarHBondContact O-N 3.19Å; K316-Q318 PolarHBondContact O-N 3.23Å; Q318-P320 VanDerWaalsContact O-CD 3.31Å; Q318-P320 WeakPolarHBondContact O-CD 3.22Å; Q318-I425 HydrophobicContact CB-CD1 4.09Å; Q318-I425 HydrophobicContact CG-CD1 3.75Å; Q318-L619 HydrophobicContact CB-CD2 3.58Å; Q318-L619 HydrophobicContact CG-CB 4.37Å; Q318-L619 HydrophobicContact CG-CD2 3.8Å; Q318-L619 WeakPolarHBondContact CG-O 3.36Å; Q318-L619 PolarHBondContact NE2-O 2.86Å; Q318-L619 VanDerWaalsContact NE2-O 3.11Å |
| 319 | V | 95 | Very high | 94.2 | Very high | 107 Ų | 107 | 39.3 Ų | 39.3 | 65% | 0.648 | 24% | 0.236 | S | C | * | . | trans | -86 | 113.3 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 320 | P | 96.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 38 Ų | 38 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 149.6 | 179.3 | -4 | 17.8 | 0 | 0 | 0 | 111.5 | Q318 Y343 I425 P426 Q617 | Q318-P320 VanDerWaalsContact O-CD 3.31Å; Q318-P320 WeakPolarHBondContact O-CD 3.22Å; P320-Y343 HydrophobicContact CB-CD1 3.64Å; P320-Y343 HydrophobicContact CB-CE1 3.82Å; P320-Y343 HydrophobicContact CB-CG 4.08Å; P320-Y343 HydrophobicContact CG-CD1 4.02Å; P320-Y343 HydrophobicContact CG-CD2 4.25Å; P320-Y343 HydrophobicContact CG-CE1 3.98Å; P320-Y343 HydrophobicContact CG-CE2 4.24Å; P320-Y343 HydrophobicContact CG-CG 4.13Å; P320-Y343 WeakPolarHBondContact O-CE1 3.14Å; P320-I425 HydrophobicContact CB-CD1 3.9Å; P320-I425 HydrophobicContact CB-CG1 4.35Å; P320-I425 HydrophobicContact CG-CD1 3.99Å; P320-P426 HydrophobicContact CG-CG 4Å; P320-Q617 HydrophobicContact CB-CG 4.48Å |
| 321 | S | 97.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 153.6 | 170.4 | -67.7 | 0 | 0 | 0 | 0 | 111 | R300 I323 Y343 Q617 | R300-S321 PolarHBondContact NE-OG 3.38Å; R300-S321 PolarHBondContact NH2-OG 2.86Å; S321-I323 PolarHBondContact O-N 3.38Å; S321-Y343 WeakPolarHBondContact O-CD1 3.05Å; S321-Q617 PolarHBondContact O-NE2 3.21Å |
| 322 | C | 97.7 | Very high | 94.4 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 133.3 | 172.3 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | T324 E325 I326 | C322-T324 PolarHBondContact O-N 2.83Å; C322-T324 PolarHBondContact SG-OG1 2.68Å; C322-E325 HydrophobicContact CB-CB 4.48Å; C322-E325 HydrophobicContact CB-CG 3.93Å; C322-E325 WeakPolarHBondContact O-CB 3.37Å; C322-E325 PolarHBondContact O-N 2.87Å; C322-I326 PolarHBondContact O-N 3.48Å |
| 323 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -29.3 | -173.8 | -162 | 61.1 | 0 | 0 | 0 | 112.6 | S321 E325 I326 A327 K342 Y343 A345 L615 | S321-I323 PolarHBondContact O-N 3.38Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 3.36Å; I323-I326 HydrophobicContact CD1-CD1 4.43Å; I323-I326 PolarHBondContact O-N 3.04Å; I323-A327 WeakPolarHBondContact O-CB 3.46Å; I323-A327 PolarHBondContact O-N 3.18Å; I323-K342 WeakPolarHBondContact CG2-O 3.4Å; I323-K342 PolarHBondContact N-O 2.79Å; I323-Y343 WeakPolarHBondContact CD1-O 3.03Å; I323-A345 HydrophobicContact CG1-CB 3.96Å; I323-A345 HydrophobicContact CG2-CB 3.95Å; I323-L615 HydrophobicContact CD1-CB 4.45Å; I323-L615 HydrophobicContact CD1-CD2 4.01Å; I323-L615 HydrophobicContact CD1-CG 3.77Å; I323-L615 HydrophobicContact CG1-CD2 4.14Å; I323-L615 HydrophobicContact CG1-CG 4.22Å |
| 324 | T | 96.9 | Very high | 94.3 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.2 | -30.9 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | C322 L328 P339 | C322-T324 PolarHBondContact O-N 2.83Å; C322-T324 PolarHBondContact SG-OG1 2.68Å; T324-L328 WeakPolarHBondContact O-CB 3.36Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.27Å; T324-L328 PolarHBondContact O-N 2.94Å; T324-P339 HydrophobicContact CG2-CG 3.72Å |
| 325 | E | 96.2 | Very high | 94 | Very high | 103 Ų | 103 | 41 Ų | 41 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 174.6 | -65.1 | 168.4 | 178.7 | 0 | 0 | 110.4 | R300 C322 I323 L328 A329 | R300-E325 IonicContact NH2-OE2 3.75Å; C322-E325 HydrophobicContact CB-CB 4.48Å; C322-E325 HydrophobicContact CB-CG 3.93Å; C322-E325 WeakPolarHBondContact O-CB 3.37Å; C322-E325 PolarHBondContact O-N 2.87Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 3.36Å; E325-L328 PolarHBondContact O-N 3.33Å; E325-A329 VanDerWaalsContact O-CB 3.32Å; E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 2.99Å |
| 326 | I | 97.5 | Very high | 94 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.4 | -65.3 | 175.6 | 0 | 0 | 0 | 110 | L297 C322 I323 L328 A329 I330 L615 Q617 P623 | L297-I326 HydrophobicContact CD2-CG2 4.4Å; C322-I326 PolarHBondContact O-N 3.48Å; I323-I326 HydrophobicContact CD1-CD1 4.43Å; I323-I326 PolarHBondContact O-N 3.04Å; I326-L328 PolarHBondContact O-N 3.02Å; I326-A329 PolarHBondContact O-N 3.43Å; I326-I330 HydrophobicContact CG2-CG2 4.41Å; I326-I330 WeakPolarHBondContact O-CG1 3.32Å; I326-I330 WeakPolarHBondContact O-CG2 3.45Å; I326-I330 PolarHBondContact O-N 3.21Å; I326-L615 HydrophobicContact CG2-CD2 4.39Å; I326-Q617 HydrophobicContact CD1-CB 3.52Å; I326-Q617 HydrophobicContact CD1-CG 4.2Å; I326-P623 HydrophobicContact CG2-CB 4.04Å |
| 327 | A | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I323 A329 I330 G331 L332 T337 L615 | I323-A327 WeakPolarHBondContact O-CB 3.46Å; I323-A327 PolarHBondContact O-N 3.18Å; A327-A329 PolarHBondContact O-N 3.48Å; A327-I330 VanDerWaalsContact O-CG1 3.31Å; A327-I330 WeakPolarHBondContact O-CG1 3.46Å; A327-I330 PolarHBondContact O-N 2.95Å; A327-G331 PolarHBondContact O-N 2.82Å; A327-L332 HydrophobicContact CB-CB 4.13Å; A327-L332 HydrophobicContact CB-CD1 3.99Å; A327-L332 VanDerWaalsContact O-CB 3.31Å; A327-L332 WeakPolarHBondContact O-CB 3.43Å; A327-L332 PolarHBondContact O-N 3.02Å; A327-T337 HydrophobicContact CB-CG2 3.73Å; A327-L615 HydrophobicContact CB-CD2 3.98Å |
| 328 | L | 92.1 | Very high | 94.4 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.9 | -71.3 | 170.6 | 0 | 0 | 0 | 111.9 | T324 E325 I326 I330 G331 P334 | T324-L328 WeakPolarHBondContact O-CB 3.36Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.27Å; T324-L328 PolarHBondContact O-N 2.94Å; E325-L328 PolarHBondContact O-N 3.33Å; I326-L328 PolarHBondContact O-N 3.02Å; L328-I330 VanDerWaalsContact C-N 3.26Å; L328-I330 PolarHBondContact O-N 3.49Å; L328-G331 PolarHBondContact O-N 2.73Å; L328-G331 VanDerWaalsContact O-N 3.08Å; L328-P334 HydrophobicContact CD2-CG 4.26Å |
| 329 | A | 92.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -31.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | W295 P296 L297 E325 I326 A327 G331 | W295-A329 WeakPolarHBondContact CB-O 3.27Å; P296-A329 WeakPolarHBondContact CD-O 3.31Å; P296-A329 HydrophobicContact CG-CB 4.4Å; L297-A329 HydrophobicContact CD2-CB 3.89Å; E325-A329 VanDerWaalsContact O-CB 3.32Å; E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 2.99Å; I326-A329 PolarHBondContact O-N 3.43Å; A327-A329 PolarHBondContact O-N 3.48Å; A329-G331 VanDerWaalsContact C-N 3.33Å |
| 330 | I | 94.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.6 | 177 | 71.6 | 177 | 0 | 0 | 0 | 113.8 | W295 L297 I326 A327 L328 L332 I398 L615 P623 L650 | W295-I330 HydrophobicContact CD2-CB 3.97Å; W295-I330 HydrophobicContact CD2-CG2 3.76Å; W295-I330 HydrophobicContact CE3-CB 4.18Å; W295-I330 HydrophobicContact CE3-CG2 3.56Å; W295-I330 HydrophobicContact CG-CG2 4.38Å; W295-I330 HydrophobicContact CH2-CB 4.05Å; W295-I330 HydrophobicContact CH2-CG2 4.06Å; W295-I330 HydrophobicContact CZ2-CB 3.83Å; W295-I330 HydrophobicContact CZ2-CG2 4.24Å; W295-I330 HydrophobicContact CZ3-CB 4.23Å; W295-I330 HydrophobicContact CZ3-CG2 3.73Å; L297-I330 HydrophobicContact CD2-CG2 3.96Å; I326-I330 HydrophobicContact CG2-CG2 4.41Å; I326-I330 WeakPolarHBondContact O-CG1 3.32Å; I326-I330 WeakPolarHBondContact O-CG2 3.45Å; I326-I330 PolarHBondContact O-N 3.21Å; A327-I330 VanDerWaalsContact O-CG1 3.31Å; A327-I330 WeakPolarHBondContact O-CG1 3.46Å; A327-I330 PolarHBondContact O-N 2.95Å; L328-I330 VanDerWaalsContact C-N 3.26Å; L328-I330 PolarHBondContact O-N 3.49Å; I330-L332 HydrophobicContact CD1-CD1 3.86Å; I330-L332 HydrophobicContact CD1-CG 4.31Å; I330-L332 HydrophobicContact CG1-CD1 4.09Å; I330-L332 HydrophobicContact CG1-CG 4.11Å; I330-I398 HydrophobicContact CD1-CD1 4.49Å; I330-L615 HydrophobicContact CD1-CD1 4.09Å; I330-L615 HydrophobicContact CD1-CD2 4.16Å; I330-P623 HydrophobicContact CD1-CB 4.27Å; I330-P623 HydrophobicContact CG2-CB 4.22Å; I330-P623 HydrophobicContact CG2-CG 3.99Å; I330-L650 HydrophobicContact CD1-CD1 4.31Å |
| 331 | G | 89.2 | Confident | 94.4 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 19 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | A327 L328 A329 R354 | A327-G331 PolarHBondContact O-N 2.82Å; L328-G331 PolarHBondContact O-N 2.73Å; L328-G331 VanDerWaalsContact O-N 3.08Å; A329-G331 VanDerWaalsContact C-N 3.33Å; G331-R354 PolarHBondContact O-NH1 3.02Å; G331-R354 PolarHBondContact O-NH2 3.29Å |
| 332 | L | 93.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -81.6 | 144.4 | 166.1 | -66.2 | 168.9 | 0 | 0 | 0 | 110.3 | A327 I330 E336 I347 V351 L615 L650 | A327-L332 HydrophobicContact CB-CB 4.13Å; A327-L332 HydrophobicContact CB-CD1 3.99Å; A327-L332 VanDerWaalsContact O-CB 3.31Å; A327-L332 WeakPolarHBondContact O-CB 3.43Å; A327-L332 PolarHBondContact O-N 3.02Å; I330-L332 HydrophobicContact CD1-CD1 3.86Å; I330-L332 HydrophobicContact CD1-CG 4.31Å; I330-L332 HydrophobicContact CG1-CD1 4.09Å; I330-L332 HydrophobicContact CG1-CG 4.11Å; L332-E336 HydrophobicContact CD2-CB 4.42Å; L332-I347 HydrophobicContact CD1-CD1 3.52Å; L332-I347 HydrophobicContact CD1-CG1 4.3Å; L332-I347 HydrophobicContact CD1-CG2 4.41Å; L332-I347 HydrophobicContact CD2-CG2 3.93Å; L332-V351 HydrophobicContact CD2-CG1 4.2Å; L332-V351 HydrophobicContact CD2-CG2 3.51Å; L332-L615 HydrophobicContact CD1-CD2 4.1Å; L332-L650 HydrophobicContact CD2-CD1 4.15Å; L332-L650 HydrophobicContact CD2-CD2 3.91Å; L332-L650 HydrophobicContact CG-CD1 4.4Å; L332-L650 HydrophobicContact CG-CD2 4.18Å | ||
| 333 | T | 88.3 | Confident | 94.4 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | trans | -88.2 | 160.2 | 173.5 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | T90 A335 E336 T337 | T90-T333 HydrophobicContact CG2-CG2 4.38Å; T333-A335 PolarHBondContact O-N 3.36Å; T333-E336 PolarHBondContact N-OE2 2.93Å; T333-E336 PolarHBondContact O-N 3.31Å; T333-E336 VanDerWaalsContact OG1-CG 3.24Å; T333-E336 WeakPolarHBondContact OG1-CG 3.18Å; T333-E336 PolarHBondContact OG1-N 3.33Å; T333-E336 PolarHBondContact OG1-OE2 3.08Å; T333-T337 PolarHBondContact O-N 2.83Å; T333-T337 PolarHBondContact O-OG1 2.89Å | ||
| 334 | P | 89.1 | Confident | 94.3 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 66% | 0.656 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -56.8 | -31.8 | 172 | -27.2 | 36 | 0 | 0 | 0 | 113.9 | L328 E336 T337 | L328-P334 HydrophobicContact CD2-CG 4.26Å; P334-E336 VanDerWaalsContact C-N 3.31Å; P334-E336 PolarHBondContact O-N 3.21Å; P334-T337 PolarHBondContact O-N 2.75Å |
| 335 | A | 88.6 | Confident | 94.4 | Very high | 66 Ų | 66 | 46 Ų | 46 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -73.1 | -24 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C88 T333 | C88-A335 HydrophobicContact CB-CB 4.16Å; T333-A335 PolarHBondContact O-N 3.36Å |
| 336 | E | 94.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -91 | -6.5 | 178.4 | -68.7 | 164.9 | 143.6 | 0 | 0 | 112.9 | L332 T333 P334 I347 S348 V351 R354 | L332-E336 HydrophobicContact CD2-CB 4.42Å; T333-E336 PolarHBondContact N-OE2 2.93Å; T333-E336 PolarHBondContact O-N 3.31Å; T333-E336 VanDerWaalsContact OG1-CG 3.24Å; T333-E336 WeakPolarHBondContact OG1-CG 3.18Å; T333-E336 PolarHBondContact OG1-N 3.33Å; T333-E336 PolarHBondContact OG1-OE2 3.08Å; P334-E336 VanDerWaalsContact C-N 3.31Å; P334-E336 PolarHBondContact O-N 3.21Å; E336-I347 CarbonylContact O-C 3.55Å; E336-I347 WeakPolarHBondContact O-CA 3.48Å; E336-S348 PolarHBondContact O-N 3.43Å; E336-V351 HydrophobicContact CB-CG2 3.78Å; E336-V351 HydrophobicContact CG-CG2 3.78Å; E336-V351 WeakPolarHBondContact OE1-CA 3.23Å; E336-R354 IonicContact OE1-CZ 2.64Å; E336-R354 IonicContact OE1-NE 3.12Å; E336-R354 PolarHBondContact OE1-NE 3.03Å; E336-R354 IonicContact OE1-NH2 3.33Å; E336-R354 PolarHBondContact OE1-NH2 3.32Å; E336-R354 IonicContact OE2-CZ 3.85Å; E336-R354 IonicContact OE2-NE 3.98Å; E336-R354 PolarHBondContact OE2-NE 2.96Å; E336-R354 IonicContact OE2-NH2 3.42Å; E336-R354 PolarHBondContact OE2-NH2 3.01Å |
| 337 | T | 96.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.8 | -173.9 | -52.2 | 0 | 0 | 0 | 0 | 109.5 | A327 T333 P334 P339 A345 | A327-T337 HydrophobicContact CB-CG2 3.73Å; T333-T337 PolarHBondContact O-N 2.83Å; T333-T337 PolarHBondContact O-OG1 2.89Å; P334-T337 PolarHBondContact O-N 2.75Å; T337-P339 WeakPolarHBondContact O-CD 3.31Å; T337-A345 HydrophobicContact CG2-CB 3.57Å |
| 338 | E | 96.9 | Very high | 94.6 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 102.9 | 175.3 | -174.6 | 177.8 | 176.6 | 0 | 0 | 109.5 | Y340 A345 K346 R612 | E338-Y340 HydrophobicContact CG-CD2 4.49Å; E338-Y340 HydrophobicContact CG-CE2 4.04Å; E338-Y340 WeakPolarHBondContact O-CD2 3.31Å; E338-Y340 PolarHBondContact O-N 3.23Å; E338-A345 CarbonylContact O-C 3.53Å; E338-A345 WeakPolarHBondContact O-CA 3.15Å; E338-A345 WeakPolarHBondContact O-CB 3.28Å; E338-K346 HydrophobicContact CB-CB 4.38Å; E338-K346 PolarHBondContact N-O 3.23Å; E338-K346 PolarHBondContact O-N 2.95Å; E338-R612 IonicContact OE2-CZ 3.82Å; E338-R612 IonicContact OE2-NH1 2.76Å; E338-R612 PolarHBondContact OE2-NH1 3.47Å; E338-R612 IonicContact OE2-NH2 3.21Å; E338-R612 PolarHBondContact OE2-NH2 3.44Å |
| 339 | P | 97.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 38.1 Ų | 38.1 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.4 | -178.7 | -21.4 | 34.4 | 0 | 0 | 0 | 112.2 | T324 T337 | T324-P339 HydrophobicContact CG2-CG 3.72Å; T337-P339 WeakPolarHBondContact O-CD 3.31Å |
| 340 | Y | 96 | Very high | 94.9 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 29% | 0.286 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -108.4 | 78.4 | 170.5 | -86.6 | -107.3 | 0 | 0 | 0 | 108.2 | E338 K344 K346 T435 | E338-Y340 HydrophobicContact CG-CD2 4.49Å; E338-Y340 HydrophobicContact CG-CE2 4.04Å; E338-Y340 WeakPolarHBondContact O-CD2 3.31Å; E338-Y340 PolarHBondContact O-N 3.23Å; Y340-K344 PolarHBondContact N-O 3.08Å; Y340-K344 WeakPolarHBondContact O-CE 3.19Å; Y340-K344 WeakPolarHBondContact O-CG 3.39Å; Y340-K346 HydrophobicContact CD2-CB 4.32Å; Y340-K346 HydrophobicContact CD2-CG 3.6Å; Y340-K346 HydrophobicContact CE2-CB 3.98Å; Y340-K346 HydrophobicContact CE2-CD 4.49Å; Y340-K346 HydrophobicContact CE2-CG 3.24Å; Y340-T435 HydrophobicContact CD1-CG2 3.94Å; Y340-T435 HydrophobicContact CD2-CG2 4.34Å; Y340-T435 HydrophobicContact CE1-CG2 4.49Å; Y340-T435 HydrophobicContact CG-CG2 3.84Å |
| 341 | G | 94.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 80.4 | -156.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 342 | K | 95.9 | Very high | 95.2 | Very high | 121 Ų | 121 | 41.9 Ų | 41.9 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89 | -26.6 | -170.1 | -169.6 | 175 | 171.8 | -169.3 | 0 | 113.8 | I323 | I323-K342 WeakPolarHBondContact CG2-O 3.4Å; I323-K342 PolarHBondContact N-O 2.79Å |
| 343 | Y | 97.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -119.6 | -0.1 | -163 | -56.2 | -53.6 | 0 | 0 | 0 | 115.2 | P320 S321 I323 P426 | P320-Y343 HydrophobicContact CB-CD1 3.64Å; P320-Y343 HydrophobicContact CB-CE1 3.82Å; P320-Y343 HydrophobicContact CB-CG 4.08Å; P320-Y343 HydrophobicContact CG-CD1 4.02Å; P320-Y343 HydrophobicContact CG-CD2 4.25Å; P320-Y343 HydrophobicContact CG-CE1 3.98Å; P320-Y343 HydrophobicContact CG-CE2 4.24Å; P320-Y343 HydrophobicContact CG-CG 4.13Å; P320-Y343 WeakPolarHBondContact O-CE1 3.14Å; S321-Y343 WeakPolarHBondContact O-CD1 3.05Å; I323-Y343 WeakPolarHBondContact CD1-O 3.03Å; Y343-P426 HydrophobicContact CD2-CG 3.8Å; Y343-P426 HydrophobicContact CG-CG 4.11Å |
| 344 | K | 97.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 10% | 0.1 | 27% | 0.267 | C | S | . | . | trans | -143.8 | 152 | 174.7 | 63.8 | -173.7 | 179.9 | -134.2 | 0 | 111.6 | Y340 E429 L434 T435 T614 L615 M616 | Y340-K344 PolarHBondContact N-O 3.08Å; Y340-K344 WeakPolarHBondContact O-CE 3.19Å; Y340-K344 WeakPolarHBondContact O-CG 3.39Å; K344-E429 HydrophobicContact CD-CB 4.45Å; K344-E429 WeakPolarHBondContact CD-OE2 3.35Å; K344-E429 WeakPolarHBondContact CE-OE2 3.47Å; K344-E429 IonicContact NZ-OE2 2.83Å; K344-E429 PolarHBondContact NZ-OE2 3.18Å; K344-L434 HydrophobicContact CD-CD1 4.19Å; K344-L434 WeakPolarHBondContact CE-O 3.35Å; K344-L434 PolarHBondContact NZ-O 3.26Å; K344-T435 HydrophobicContact CD-CG2 4.3Å; K344-T614 HydrophobicContact CB-CG2 4.08Å; K344-L615 CarbonylContact C-O 3.51Å; K344-L615 WeakPolarHBondContact CA-O 3.44Å; K344-M616 HydrophobicContact CB-CG 3.9Å | ||
| 345 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I323 T337 E338 T614 L615 | I323-A345 HydrophobicContact CG1-CB 3.96Å; I323-A345 HydrophobicContact CG2-CB 3.95Å; T337-A345 HydrophobicContact CG2-CB 3.57Å; E338-A345 CarbonylContact O-C 3.53Å; E338-A345 WeakPolarHBondContact O-CA 3.15Å; E338-A345 WeakPolarHBondContact O-CB 3.28Å; A345-T614 CarbonylContact O-C 3.55Å; A345-T614 WeakPolarHBondContact O-CA 3.46Å; A345-L615 PolarHBondContact N-O 3.1Å; A345-L615 PolarHBondContact O-N 3.2Å |
| 346 | K | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 140.6 | 169.7 | -63.9 | -72.7 | -76.9 | -162.8 | 0 | 109.6 | E338 Y340 T435 D437 D609 R612 T614 | E338-K346 HydrophobicContact CB-CB 4.38Å; E338-K346 PolarHBondContact N-O 3.23Å; E338-K346 PolarHBondContact O-N 2.95Å; Y340-K346 HydrophobicContact CD2-CB 4.32Å; Y340-K346 HydrophobicContact CD2-CG 3.6Å; Y340-K346 HydrophobicContact CE2-CB 3.98Å; Y340-K346 HydrophobicContact CE2-CD 4.49Å; Y340-K346 HydrophobicContact CE2-CG 3.24Å; K346-T435 HydrophobicContact CD-CG2 3.93Å; K346-T435 HydrophobicContact CG-CG2 4.28Å; K346-D437 IonicContact NZ-OD1 3.91Å; K346-D437 PolarHBondContact NZ-OD1 3.06Å; K346-D437 IonicContact NZ-OD2 2.63Å; K346-D437 PolarHBondContact NZ-OD2 3.23Å; K346-D609 WeakPolarHBondContact CE-O 3.31Å; K346-D609 PolarHBondContact NZ-O 3.16Å; K346-R612 WeakPolarHBondContact CE-O 3.3Å; K346-R612 PolarHBondContact NZ-O 3.09Å; K346-T614 WeakPolarHBondContact CD-OG1 3.35Å |
| 347 | I | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.7 | -178.5 | -53.5 | -48.4 | 0 | 0 | 0 | 110.5 | L332 E336 V351 R612 P613 L615 L625 I646 | L332-I347 HydrophobicContact CD1-CD1 3.52Å; L332-I347 HydrophobicContact CD1-CG1 4.3Å; L332-I347 HydrophobicContact CD1-CG2 4.41Å; L332-I347 HydrophobicContact CD2-CG2 3.93Å; E336-I347 CarbonylContact O-C 3.55Å; E336-I347 WeakPolarHBondContact O-CA 3.48Å; I347-V351 HydrophobicContact CG2-CG2 3.91Å; I347-R612 WeakPolarHBondContact O-CB 3.33Å; I347-P613 PolarHBondContact N-O 3.16Å; I347-L615 HydrophobicContact CD1-CB 3.7Å; I347-L615 HydrophobicContact CD1-CD2 4.18Å; I347-L615 HydrophobicContact CG1-CB 3.93Å; I347-L625 HydrophobicContact CG1-CD2 4.26Å; I347-I646 HydrophobicContact CG2-CG2 4.2Å |
| 348 | S | 97.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.8 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | E336 D350 V351 | E336-S348 PolarHBondContact O-N 3.43Å; S348-D350 PolarHBondContact O-N 2.74Å; S348-D350 PolarHBondContact OG-N 3.37Å; S348-D350 VanDerWaalsContact OG-N 3.16Å; S348-D350 PolarHBondContact OG-OD2 2.88Å; S348-V351 VanDerWaalsContact O-CG2 3.28Å; S348-V351 WeakPolarHBondContact O-CG2 3.46Å |
| 349 | L | 96.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14 | 172.3 | -55.5 | -172.5 | 0 | 0 | 0 | 112.3 | V351 L352 I611 R612 L642 I646 | L349-V351 PolarHBondContact O-N 3.22Å; L349-V351 VanDerWaalsContact O-N 3.16Å; L349-L352 WeakPolarHBondContact O-CB 3.46Å; L349-L352 PolarHBondContact O-N 3.13Å; L349-I611 HydrophobicContact CD1-CD1 4.48Å; L349-I611 HydrophobicContact CD1-CG1 4.28Å; L349-R612 HydrophobicContact CG-CG 4.39Å; L349-L642 HydrophobicContact CD1-CD1 4.21Å; L349-L642 HydrophobicContact CD2-CD1 4.13Å; L349-L642 HydrophobicContact CD2-CD2 4.06Å; L349-L642 HydrophobicContact CD2-CG 4.5Å; L349-I646 HydrophobicContact CD2-CD1 3.97Å |
| 350 | D | 93.9 | Very high | 93.6 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -22 | 176.9 | -63.9 | -42 | 0 | 0 | 0 | 112.8 | S348 L352 N353 R354 | S348-D350 PolarHBondContact O-N 2.74Å; S348-D350 PolarHBondContact OG-N 3.37Å; S348-D350 VanDerWaalsContact OG-N 3.16Å; S348-D350 PolarHBondContact OG-OD2 2.88Å; D350-L352 PolarHBondContact O-N 3.42Å; D350-N353 WeakPolarHBondContact O-CA 3.42Å; D350-N353 WeakPolarHBondContact O-CB 3.44Å; D350-N353 PolarHBondContact O-N 3.22Å; D350-R354 PolarHBondContact O-N 3.39Å |
| 351 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.4 | -38.8 | 170.5 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L332 E336 I347 S348 L349 R354 L355 I646 L650 | L332-V351 HydrophobicContact CD2-CG1 4.2Å; L332-V351 HydrophobicContact CD2-CG2 3.51Å; E336-V351 HydrophobicContact CB-CG2 3.78Å; E336-V351 HydrophobicContact CG-CG2 3.78Å; E336-V351 WeakPolarHBondContact OE1-CA 3.23Å; I347-V351 HydrophobicContact CG2-CG2 3.91Å; S348-V351 VanDerWaalsContact O-CG2 3.28Å; S348-V351 WeakPolarHBondContact O-CG2 3.46Å; L349-V351 PolarHBondContact O-N 3.22Å; L349-V351 VanDerWaalsContact O-N 3.16Å; V351-R354 PolarHBondContact O-N 3.05Å; V351-L355 HydrophobicContact CG1-CD1 3.66Å; V351-L355 HydrophobicContact CG1-CG 4.28Å; V351-L355 VanDerWaalsContact O-CB 3.32Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CG 3.42Å; V351-L355 PolarHBondContact O-N 2.95Å; V351-I646 HydrophobicContact CG1-CG2 4.19Å; V351-L650 HydrophobicContact CG1-CD2 4.16Å; V351-L650 HydrophobicContact CG1-CG 4.32Å |
| 352 | L | 95.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.9 | -33.5 | 178.2 | -66.7 | 177 | 0 | 0 | 0 | 112.6 | L349 D350 N356 L642 L645 I646 K649 | L349-L352 WeakPolarHBondContact O-CB 3.46Å; L349-L352 PolarHBondContact O-N 3.13Å; D350-L352 PolarHBondContact O-N 3.42Å; L352-N356 WeakPolarHBondContact O-CA 3.43Å; L352-N356 WeakPolarHBondContact O-CB 3.37Å; L352-N356 PolarHBondContact O-N 3.32Å; L352-N356 VanDerWaalsContact O-N 3.09Å; L352-L642 HydrophobicContact CD1-CD2 3.66Å; L352-L645 HydrophobicContact CD1-CB 4.42Å; L352-L645 HydrophobicContact CD2-CB 3.9Å; L352-I646 HydrophobicContact CD1-CG1 4.13Å; L352-I646 HydrophobicContact CD2-CB 4.46Å; L352-I646 HydrophobicContact CD2-CG1 3.73Å; L352-I646 HydrophobicContact CG-CG1 3.71Å; L352-K649 HydrophobicContact CD2-CG 4.11Å |
| 353 | N | 92.2 | Very high | 93.9 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.3 | -46.9 | 175.4 | -65 | -35.9 | 0 | 0 | 0 | 110 | D350 N356 | D350-N353 WeakPolarHBondContact O-CA 3.42Å; D350-N353 WeakPolarHBondContact O-CB 3.44Å; D350-N353 PolarHBondContact O-N 3.22Å; N353-N356 WeakPolarHBondContact O-CB 3.4Å; N353-N356 PolarHBondContact O-N 3.07Å; N353-N356 PolarHBondContact O-ND2 3.08Å |
| 354 | R | 87.9 | Confident | 93.9 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 18% | 0.181 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -48.6 | 178.1 | 179.4 | 171.6 | 60.9 | 95.6 | -7.2 | 111.9 | T90 G331 E336 D350 V351 N356 H357 | T90-R354 VanDerWaalsContact CG2-CD 3.41Å; T90-R354 HydrophobicContact CG2-CG 4.48Å; G331-R354 PolarHBondContact O-NH1 3.02Å; G331-R354 PolarHBondContact O-NH2 3.29Å; E336-R354 IonicContact OE1-CZ 2.64Å; E336-R354 IonicContact OE1-NE 3.12Å; E336-R354 PolarHBondContact OE1-NE 3.03Å; E336-R354 IonicContact OE1-NH2 3.33Å; E336-R354 PolarHBondContact OE1-NH2 3.32Å; E336-R354 IonicContact OE2-CZ 3.85Å; E336-R354 IonicContact OE2-NE 3.98Å; E336-R354 PolarHBondContact OE2-NE 2.96Å; E336-R354 IonicContact OE2-NH2 3.42Å; E336-R354 PolarHBondContact OE2-NH2 3.01Å; D350-R354 PolarHBondContact O-N 3.39Å; V351-R354 PolarHBondContact O-N 3.05Å; R354-N356 VanDerWaalsContact C-N 3.29Å; R354-N356 PolarHBondContact O-N 3.34Å; R354-H357 PolarHBondContact O-CE1 3.02Å; R354-H357 PolarHBondContact O-ND1 3.25Å |
| 355 | L | 90.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 14.8 | -176.2 | -56.8 | 179.2 | 0 | 0 | 0 | 113.2 | V351 H357 V358 K649 L650 | V351-L355 HydrophobicContact CG1-CD1 3.66Å; V351-L355 HydrophobicContact CG1-CG 4.28Å; V351-L355 VanDerWaalsContact O-CB 3.32Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CG 3.42Å; V351-L355 PolarHBondContact O-N 2.95Å; L355-H357 PolarHBondContact O-N 3.04Å; L355-V358 HydrophobicContact CB-CB 4.35Å; L355-V358 HydrophobicContact CB-CG2 4.21Å; L355-V358 HydrophobicContact CD2-CG2 3.91Å; L355-V358 PolarHBondContact O-N 3.38Å; L355-K649 HydrophobicContact CB-CB 3.78Å; L355-K649 HydrophobicContact CB-CD 4.41Å; L355-K649 HydrophobicContact CB-CG 4.27Å; L355-K649 HydrophobicContact CD1-CB 3.84Å; L355-K649 HydrophobicContact CG-CB 4.48Å; L355-K649 VanDerWaalsContact O-CD 3.31Å; L355-K649 WeakPolarHBondContact O-CD 3.45Å; L355-K649 PolarHBondContact O-NZ 3.43Å; L355-L650 HydrophobicContact CD1-CD2 3.81Å; L355-L650 HydrophobicContact CD1-CG 4.16Å |
| 356 | N | 89.1 | Confident | 94 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 57% | 0.572 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34.6 | -177.1 | 69.1 | 8 | 0 | 0 | 0 | 112.8 | L352 N353 R354 K649 | L352-N356 WeakPolarHBondContact O-CA 3.43Å; L352-N356 WeakPolarHBondContact O-CB 3.37Å; L352-N356 PolarHBondContact O-N 3.32Å; L352-N356 VanDerWaalsContact O-N 3.09Å; N353-N356 WeakPolarHBondContact O-CB 3.4Å; N353-N356 PolarHBondContact O-N 3.07Å; N353-N356 PolarHBondContact O-ND2 3.08Å; R354-N356 VanDerWaalsContact C-N 3.29Å; R354-N356 PolarHBondContact O-N 3.34Å; N356-K649 PolarHBondContact O-NZ 2.96Å |
| 357 | H | 81.8 | Confident | 93.9 | Very high | 109 Ų | 109 | 42.4 Ų | 42.4 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.7 | -177.3 | 64.3 | -82.9 | 0 | 0 | 0 | 113.5 | N31 R354 L355 | N31-H357 WeakPolarHBondContact ND2-CB 3.48Å; R354-H357 PolarHBondContact O-CE1 3.02Å; R354-H357 PolarHBondContact O-ND1 3.25Å; L355-H357 PolarHBondContact O-N 3.04Å |
| 358 | V | 85.8 | Confident | 93.8 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -74.6 | 129.4 | 179.1 | -180 | 0 | 0 | 0 | 0 | 109.2 | L355 K649 | L355-V358 HydrophobicContact CB-CB 4.35Å; L355-V358 HydrophobicContact CB-CG2 4.21Å; L355-V358 HydrophobicContact CD2-CG2 3.91Å; L355-V358 PolarHBondContact O-N 3.38Å; V358-K649 WeakPolarHBondContact O-CD 3.31Å; V358-K649 PolarHBondContact O-NZ 2.86Å |
| 359 | K | 90.1 | Very high | 93.8 | Very high | 161 Ų | 161 | 41.6 Ų | 41.6 | 70% | 0.7 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -67.4 | 136.8 | 175.2 | -175.8 | 177.7 | 176.1 | -177.1 | 0 | 109.8 | P653 | K359-P653 HydrophobicContact CB-CB 4.25Å; K359-P653 HydrophobicContact CD-CB 4.29Å; K359-P653 HydrophobicContact CG-CB 4.39Å |
| 360 | N | 94.7 | Very high | 93.8 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 144.4 | 176.5 | -68.6 | 1.5 | 0 | 0 | 0 | 111.3 | L648 K649 | N360-L648 WeakPolarHBondContact CA-O 3.21Å; N360-L648 HydrophobicContact CB-CB 4.07Å; N360-L648 HydrophobicContact CB-CD2 4.46Å; N360-K649 VanDerWaalsContact OD1-CD 3.3Å; N360-K649 WeakPolarHBondContact OD1-CD 3.37Å; N360-K649 WeakPolarHBondContact OD1-CE 3.27Å |
| 361 | G | 95.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | trans | -71.4 | -171 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L648 G652 | G361-L648 PolarHBondContact N-O 3.3Å; G361-L648 WeakPolarHBondContact O-CD2 3.31Å; G361-G652 WeakPolarHBondContact CA-O 3.42Å; G361-G652 PolarHBondContact N-O 2.91Å | ||
| 362 | K | 97.6 | Very high | 93.5 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 27% | 0.274 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.1 | 179.2 | -61.5 | -57.4 | -171.3 | 159.5 | 0 | 110.9 | G655 F656 V657 D685 C797 | K362-G655 PolarHBondContact N-O 3.05Å; K362-F656 HydrophobicContact CB-CD1 3.63Å; K362-F656 HydrophobicContact CB-CE1 3.84Å; K362-F656 HydrophobicContact CB-CG 4.36Å; K362-F656 HydrophobicContact CG-CD1 4.27Å; K362-F656 HydrophobicContact CG-CE1 3.99Å; K362-F656 CarbonylContact O-C 3.52Å; K362-F656 WeakPolarHBondContact O-CA 3.34Å; K362-V657 PolarHBondContact O-N 3.24Å; K362-D685 WeakPolarHBondContact CA-OD2 3.33Å; K362-D685 HydrophobicContact CD-CB 4.48Å; K362-D685 WeakPolarHBondContact CD-OD1 3.13Å; K362-D685 IonicContact NZ-OD1 2.66Å; K362-D685 PolarHBondContact NZ-OD1 3.33Å; K362-C797 HydrophobicContact CB-CB 4.26Å; K362-C797 HydrophobicContact CD-CB 4.22Å; K362-C797 HydrophobicContact CG-CB 4.14Å; K362-C797 PolarHBondContact NZ-O 3.46Å; K362-C797 VanDerWaalsContact NZ-O 3.09Å |
| 363 | Y | 97.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.5 | -176.6 | -166.8 | -155.4 | 0 | 0 | 0 | 110.7 | D644 L648 V657 T659 F672 L682 P684 D685 | Y363-D644 HydrophobicContact CE2-CB 4.09Å; Y363-D644 PolarHBondContact OH-OD2 3.45Å; Y363-L648 HydrophobicContact CD2-CD1 4.49Å; Y363-L648 HydrophobicContact CD2-CD2 4.38Å; Y363-L648 HydrophobicContact CG-CD1 4.39Å; Y363-L648 HydrophobicContact CG-CD2 4.35Å; Y363-V657 HydrophobicContact CD2-CB 4.2Å; Y363-V657 HydrophobicContact CD2-CG1 4.14Å; Y363-V657 HydrophobicContact CE2-CG1 4.19Å; Y363-T659 HydrophobicContact CD2-CG2 4.31Å; Y363-T659 HydrophobicContact CE2-CG2 3.39Å; Y363-F672 HydrophobicContact CE1-CE1 4.35Å; Y363-F672 AromaticContact CE1-CZ 3.64Å; Y363-F672 HydrophobicContact CE1-CZ 3.64Å; Y363-F672 AromaticContact CZ-CZ 3.58Å; Y363-F672 WeakPolarHBondContact OH-CE2 3.35Å; Y363-F672 VanDerWaalsContact OH-CZ 3.23Å; Y363-F672 WeakPolarHBondContact OH-CZ 3.23Å; Y363-L682 HydrophobicContact CD1-CB 4.09Å; Y363-L682 HydrophobicContact CE1-CB 3.85Å; Y363-L682 HydrophobicContact CE1-CD1 4.09Å; Y363-P684 HydrophobicContact CD1-CB 4.48Å; Y363-P684 CarbonylContact O-C 3.56Å; Y363-P684 VanDerWaalsContact O-CA 3.24Å; Y363-P684 WeakPolarHBondContact O-CA 3.37Å; Y363-D685 PolarHBondContact N-OD2 2.89Å; Y363-D685 PolarHBondContact O-N 2.84Å |
| 364 | V | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.4 | -177.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L385 F656 V657 V658 T659 V688 V793 | V364-L385 HydrophobicContact CG1-CD2 4.26Å; V364-F656 HydrophobicContact CG2-CD1 4.27Å; V364-V657 PolarHBondContact N-O 2.8Å; V364-V658 HydrophobicContact CB-CG2 4.47Å; V364-V658 WeakPolarHBondContact O-CA 3.42Å; V364-T659 PolarHBondContact O-N 3.15Å; V364-V688 HydrophobicContact CG1-CG2 3.92Å; V364-V793 HydrophobicContact CB-CG1 4.34Å; V364-V793 HydrophobicContact CG1-CG1 3.83Å; V364-V793 HydrophobicContact CG2-CG1 3.56Å |
| 365 | L | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.2 | 176.8 | -179.7 | 71.4 | 0 | 0 | 0 | 110.8 | T659 A661 F669 F672 P684 A686 V687 V688 | L365-T659 HydrophobicContact CB-CG2 4.48Å; L365-T659 HydrophobicContact CD1-CG2 3.48Å; L365-T659 VanDerWaalsContact CD1-CG2 3.48Å; L365-A661 HydrophobicContact CD1-CB 3.97Å; L365-A661 HydrophobicContact CD2-CB 4.2Å; L365-A661 HydrophobicContact CG-CB 4.23Å; L365-F669 HydrophobicContact CD2-CD2 3.38Å; L365-F669 HydrophobicContact CD2-CE2 4.03Å; L365-F669 HydrophobicContact CD2-CG 4.4Å; L365-F672 HydrophobicContact CD1-CD1 4.28Å; L365-F672 HydrophobicContact CD1-CD2 3.76Å; L365-F672 HydrophobicContact CD1-CE1 4.14Å; L365-F672 HydrophobicContact CD1-CE2 3.6Å; L365-F672 HydrophobicContact CD1-CG 4.09Å; L365-F672 HydrophobicContact CD1-CZ 3.79Å; L365-F672 HydrophobicContact CD2-CB 4.39Å; L365-F672 HydrophobicContact CD2-CD1 3.56Å; L365-F672 HydrophobicContact CD2-CD2 4.41Å; L365-F672 HydrophobicContact CD2-CE1 3.8Å; L365-F672 HydrophobicContact CD2-CG 3.88Å; L365-F672 HydrophobicContact CD2-CZ 4.3Å; L365-F672 HydrophobicContact CG-CE1 4.41Å; L365-F672 HydrophobicContact CG-CZ 4.48Å; L365-P684 HydrophobicContact CB-CB 4.07Å; L365-A686 PolarHBondContact N-O 3.02Å; L365-V687 HydrophobicContact CB-CG2 4.3Å; L365-V687 HydrophobicContact CD2-CG2 4.37Å; L365-V687 CarbonylContact O-C 3.47Å; L365-V687 VanDerWaalsContact O-CA 3.29Å; L365-V687 WeakPolarHBondContact O-CA 3.43Å; L365-V688 PolarHBondContact O-N 2.88Å |
| 366 | V | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.5 | 171 | -171 | 0 | 0 | 0 | 0 | 109.5 | K378 T382 V658 T659 E660 A661 V688 V690 | V366-K378 HydrophobicContact CG1-CG 3.99Å; V366-T382 WeakPolarHBondContact CB-OG1 3.41Å; V366-T382 WeakPolarHBondContact CG2-OG1 3.41Å; V366-V658 HydrophobicContact CG2-CG1 3.52Å; V366-T659 PolarHBondContact N-O 3Å; V366-E660 WeakPolarHBondContact O-CA 3.29Å; V366-A661 PolarHBondContact O-N 2.91Å; V366-V688 HydrophobicContact CG1-CB 4.39Å; V366-V688 HydrophobicContact CG1-CG1 4.39Å; V366-V688 HydrophobicContact CG2-CB 4.19Å; V366-V690 HydrophobicContact CG1-CG2 3.64Å |
| 367 | T | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | -174.8 | 171.6 | -167.4 | 0 | 0 | 0 | 0 | 109.4 | G664 A665 F669 V687 V688 L689 V690 I736 | T367-G664 PolarHBondContact OG1-O 3.24Å; T367-G664 VanDerWaalsContact OG1-O 3.12Å; T367-A665 HydrophobicContact CG2-CB 3.99Å; T367-F669 HydrophobicContact CG2-CB 4.33Å; T367-V687 HydrophobicContact CG2-CG1 3.62Å; T367-V688 PolarHBondContact N-O 2.86Å; T367-L689 HydrophobicContact CG2-CD1 3.93Å; T367-V690 WeakPolarHBondContact O-CB 3.47Å; T367-V690 WeakPolarHBondContact O-CG2 3.38Å; T367-V690 PolarHBondContact O-N 3.28Å; T367-I736 HydrophobicContact CG2-CD1 4.23Å |
| 368 | S | 97 | Very high | 92.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 166.2 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 112 | G664 A665 L689 V690 | S368-G664 CarbonylContact O-C 3.58Å; S368-G664 VanDerWaalsContact O-C 3.27Å; S368-G664 WeakPolarHBondContact O-CA 3.29Å; S368-G664 PolarHBondContact OG-N 2.98Å; S368-A665 PolarHBondContact O-N 3.35Å; S368-L689 WeakPolarHBondContact O-CD1 3.42Å; S368-V690 WeakPolarHBondContact CA-O 3.5Å |
| 369 | M | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -69.3 | -177.8 | 157.6 | 69 | 173.9 | -63.8 | 0 | 0 | 110.5 | P371 I376 V690 V691 A695 L696 Q699 N728 | M369-P371 VanDerWaalsContact O-CD 3.28Å; M369-P371 WeakPolarHBondContact O-CD 3.48Å; M369-P371 VanDerWaalsContact O-N 3.1Å; M369-I376 HydrophobicContact CG-CD1 3.49Å; M369-I376 VanDerWaalsContact CG-CD1 3.49Å; M369-I376 HydrophobicContact SD-CD1 4.39Å; M369-V690 PolarHBondContact N-O 3.37Å; M369-V691 HydrophobicContact CB-CG2 4.44Å; M369-V691 HydrophobicContact CG-CG2 4.24Å; M369-V691 HydrophobicContact SD-CB 4.24Å; M369-V691 HydrophobicContact SD-CG1 3.78Å; M369-V691 HydrophobicContact SD-CG2 4.08Å; M369-A695 HydrophobicContact CE-CB 4.41Å; M369-A695 HydrophobicContact CG-CB 4.35Å; M369-A695 HydrophobicContact SD-CB 3.96Å; M369-L696 HydrophobicContact CE-CD2 3.89Å; M369-L696 HydrophobicContact CE-CG 4.42Å; M369-L696 HydrophobicContact SD-CD2 3.84Å; M369-L696 HydrophobicContact SD-CG 4.02Å; M369-Q699 HydrophobicContact CE-CB 4.29Å; M369-Q699 HydrophobicContact CE-CG 3.92Å; M369-N728 HydrophobicContact CE-CB 4.03Å; M369-N728 VanDerWaalsContact CE-OD1 3.26Å; M369-N728 WeakPolarHBondContact CE-OD1 3.48Å |
| 370 | T | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -56.9 | 114.6 | 175.1 | -39.4 | 0 | 0 | 0 | 0 | 109.7 | Q699 N728 H732 P860 L861 | T370-Q699 VanDerWaalsContact CG2-NE2 3.27Å; T370-N728 WeakPolarHBondContact CB-OD1 3.45Å; T370-N728 VanDerWaalsContact OG1-CG 3.23Å; T370-N728 PolarHBondContact OG1-ND2 3.09Å; T370-N728 PolarHBondContact OG1-OD1 2.86Å; T370-H732 PolarHBondContact N-NE2 3.44Å; T370-H732 VanDerWaalsContact N-NE2 3.17Å; T370-H732 PolarHBondContact OG1-NE2 3.38Å; T370-P860 WeakPolarHBondContact CG2-O 3.36Å; T370-L861 VanDerWaalsContact CG2-O 3.32Å; T370-L861 WeakPolarHBondContact CG2-O 3.49Å |
| 371 | P | 91.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | trans | -74.3 | 165.7 | -173.3 | 31.9 | -38.7 | 0 | 0 | 0 | 112.5 | M369 I376 P860 | M369-P371 VanDerWaalsContact O-CD 3.28Å; M369-P371 WeakPolarHBondContact O-CD 3.48Å; M369-P371 VanDerWaalsContact O-N 3.1Å; P371-I376 HydrophobicContact CB-CB 4.36Å; P371-I376 HydrophobicContact CB-CG2 4.46Å; P371-P860 WeakPolarHBondContact CD-O 3.4Å | ||
| 372 | T | 88.8 | Confident | 93.4 | Very high | 14 Ų | 14 | 20.6 Ų | 20.6 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | trans | -80 | 166.5 | 160.1 | 76.8 | 0 | 0 | 0 | 0 | 110.1 | E374 G375 A695 R698 | T372-E374 WeakPolarHBondContact CB-OE2 3.41Å; T372-E374 PolarHBondContact O-N 2.86Å; T372-E374 PolarHBondContact OG1-N 3.37Å; T372-E374 PolarHBondContact OG1-OE2 3.02Å; T372-G375 PolarHBondContact O-N 2.98Å; T372-G375 PolarHBondContact OG1-N 3.13Å; T372-G375 PolarHBondContact OG1-O 3.18Å; T372-G375 VanDerWaalsContact OG1-O 3.09Å; T372-A695 HydrophobicContact CG2-CB 4.06Å; T372-R698 HydrophobicContact CG2-CB 4.43Å | ||
| 373 | P | 80.7 | Confident | 93.5 | Very high | 57 Ų | 57 | 17.7 Ų | 17.7 | 37% | 0.37 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.6 | 174.6 | -27.4 | 36.7 | 0 | 0 | 0 | 113.4 | G375 R698 L861 | P373-G375 VanDerWaalsContact C-N 3.3Å; P373-R698 VanDerWaalsContact CG-NH1 3.32Å; P373-L861 HydrophobicContact CG-CD2 4.38Å |
| 374 | E | 75.8 | Confident | 93.5 | Very high | 164 Ų | 164 | 17.5 Ų | 17.5 | 77% | 0.766 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.4 | 177.8 | -52.6 | 74.3 | -157.2 | 0 | 0 | 112.3 | T372 | T372-E374 WeakPolarHBondContact CB-OE2 3.41Å; T372-E374 PolarHBondContact O-N 2.86Å; T372-E374 PolarHBondContact OG1-N 3.37Å; T372-E374 PolarHBondContact OG1-OE2 3.02Å |
| 375 | G | 83.7 | Confident | 93.5 | Very high | 34 Ų | 34 | 17.5 Ų | 17.5 | 35% | 0.351 | 11% | 0.106 | S | C | . | . | trans | 104.4 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T372 P373 | T372-G375 PolarHBondContact O-N 2.98Å; T372-G375 PolarHBondContact OG1-N 3.13Å; T372-G375 PolarHBondContact OG1-O 3.18Å; T372-G375 VanDerWaalsContact OG1-O 3.09Å; P373-G375 VanDerWaalsContact C-N 3.3Å | ||
| 376 | I | 89 | Confident | 93.5 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 5% | 0.046 | 11% | 0.106 | C | C | . | . | trans | -131.1 | 1.7 | -171.5 | -157.3 | 166.3 | 0 | 0 | 0 | 113.3 | M369 P371 K378 V690 T692 A695 N748 | M369-I376 HydrophobicContact CG-CD1 3.49Å; M369-I376 VanDerWaalsContact CG-CD1 3.49Å; M369-I376 HydrophobicContact SD-CD1 4.39Å; P371-I376 HydrophobicContact CB-CB 4.36Å; P371-I376 HydrophobicContact CB-CG2 4.46Å; I376-K378 HydrophobicContact CG2-CB 4.3Å; I376-V690 HydrophobicContact CG1-CG1 4.33Å; I376-V690 HydrophobicContact CG2-CG1 4.36Å; I376-T692 HydrophobicContact CG1-CG2 3.51Å; I376-T692 WeakPolarHBondContact O-CG2 3.37Å; I376-A695 HydrophobicContact CD1-CB 3.67Å; I376-A695 HydrophobicContact CG1-CB 4.27Å; I376-N748 PolarHBondContact O-ND2 2.88Å | ||
| 377 | G | 91.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 22% | 0.216 | 11% | 0.106 | C | C | . | . | trans | 75 | 27.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S379 T380 V381 | G377-S379 PolarHBondContact O-N 3.46Å; G377-T380 VanDerWaalsContact O-CB 3.31Å; G377-T380 WeakPolarHBondContact O-CB 3.43Å; G377-T380 PolarHBondContact O-N 2.91Å; G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 2.8Å | ||
| 378 | K | 95 | Very high | 93.5 | Very high | 26 Ų | 26 | 17.5 Ų | 17.5 | 11% | 0.113 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -52.6 | -53.1 | 178.9 | 179.8 | -172 | 52.7 | 39 | 0 | 112.1 | V366 I376 T380 V381 T382 E660 A661 | V366-K378 HydrophobicContact CG1-CG 3.99Å; I376-K378 HydrophobicContact CG2-CB 4.3Å; K378-T380 VanDerWaalsContact C-N 3.32Å; K378-T380 PolarHBondContact O-N 3.21Å; K378-V381 PolarHBondContact O-N 3.46Å; K378-T382 PolarHBondContact O-N 3.42Å; K378-T382 PolarHBondContact O-OG1 3.09Å; K378-T382 VanDerWaalsContact O-OG1 3.12Å; K378-E660 HydrophobicContact CD-CB 4.36Å; K378-E660 IonicContact NZ-OE1 3.77Å; K378-E660 PolarHBondContact NZ-OE1 2.9Å; K378-E660 IonicContact NZ-OE2 2.75Å; K378-E660 PolarHBondContact NZ-OE2 3.46Å; K378-A661 VanDerWaalsContact CE-O 3.28Å; K378-A661 WeakPolarHBondContact CE-O 3.32Å |
| 379 | S | 95.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.4 | -33.9 | -179 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | G377 V381 T382 I383 E660 | G377-S379 PolarHBondContact O-N 3.46Å; S379-V381 PolarHBondContact O-N 3.27Å; S379-T382 WeakPolarHBondContact O-CB 3.46Å; S379-T382 PolarHBondContact O-N 3.08Å; S379-I383 WeakPolarHBondContact O-CG1 3.48Å; S379-I383 PolarHBondContact O-N 3.02Å; S379-E660 PolarHBondContact OG-OE2 3.25Å |
| 380 | T | 95.8 | Very high | 93.6 | Very high | 16 Ų | 16 | 17.9 Ų | 17.9 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 170.9 | -48 | 0 | 0 | 0 | 0 | 111.6 | G377 K378 G384 G419 S422 N778 W779 | G377-T380 VanDerWaalsContact O-CB 3.31Å; G377-T380 WeakPolarHBondContact O-CB 3.43Å; G377-T380 PolarHBondContact O-N 2.91Å; K378-T380 VanDerWaalsContact C-N 3.32Å; K378-T380 PolarHBondContact O-N 3.21Å; T380-G384 PolarHBondContact O-N 3.42Å; T380-G419 WeakPolarHBondContact CG2-O 3.29Å; T380-G419 PolarHBondContact OG1-N 2.99Å; T380-S422 VanDerWaalsContact O-CB 3.31Å; T380-S422 WeakPolarHBondContact O-CB 3.32Å; T380-N778 PolarHBondContact O-ND2 3.39Å; T380-W779 HydrophobicContact CG2-CB 4.06Å |
| 381 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | G377 K378 S379 I383 G384 L385 V688 V690 A746 N748 L789 | G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 2.8Å; K378-V381 PolarHBondContact O-N 3.46Å; S379-V381 PolarHBondContact O-N 3.27Å; V381-I383 PolarHBondContact O-N 3.34Å; V381-G384 PolarHBondContact O-N 3.01Å; V381-L385 VanDerWaalsContact O-CB 3.29Å; V381-L385 WeakPolarHBondContact O-CB 3.07Å; V381-L385 PolarHBondContact O-N 2.76Å; V381-V688 HydrophobicContact CG1-CG1 4.41Å; V381-V690 HydrophobicContact CB-CG2 3.81Å; V381-V690 HydrophobicContact CG1-CG2 3.86Å; V381-V690 HydrophobicContact CG2-CG1 3.94Å; V381-V690 HydrophobicContact CG2-CG2 3.99Å; V381-A746 HydrophobicContact CG1-CB 4Å; V381-N748 HydrophobicContact CG2-CB 4.01Å; V381-L789 HydrophobicContact CG1-CD2 3.75Å |
| 382 | T | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | V366 K378 S379 L385 V386 V401 V658 | V366-T382 WeakPolarHBondContact CB-OG1 3.41Å; V366-T382 WeakPolarHBondContact CG2-OG1 3.41Å; K378-T382 PolarHBondContact O-N 3.42Å; K378-T382 PolarHBondContact O-OG1 3.09Å; K378-T382 VanDerWaalsContact O-OG1 3.12Å; S379-T382 WeakPolarHBondContact O-CB 3.46Å; S379-T382 PolarHBondContact O-N 3.08Å; T382-L385 PolarHBondContact O-N 3.36Å; T382-V386 VanDerWaalsContact O-CG2 3.32Å; T382-V386 WeakPolarHBondContact O-CG2 3.47Å; T382-V386 PolarHBondContact O-N 3.4Å; T382-V386 VanDerWaalsContact O-N 3.11Å; T382-V401 HydrophobicContact CG2-CG1 4.18Å; T382-V658 HydrophobicContact CG2-CG1 3.98Å |
| 383 | I | 98.3 | Very high | 94 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.2 | -43.4 | -180 | -61.3 | -52.6 | 0 | 0 | 0 | 111.1 | S379 V381 L385 V386 Q387 V401 I424 T618 V624 | S379-I383 WeakPolarHBondContact O-CG1 3.48Å; S379-I383 PolarHBondContact O-N 3.02Å; V381-I383 PolarHBondContact O-N 3.34Å; I383-L385 VanDerWaalsContact C-N 3.27Å; I383-L385 PolarHBondContact O-N 3.24Å; I383-V386 PolarHBondContact O-N 3.3Å; I383-V386 VanDerWaalsContact O-N 3.14Å; I383-Q387 HydrophobicContact CG2-CG 4.22Å; I383-Q387 VanDerWaalsContact O-CG 3.26Å; I383-Q387 WeakPolarHBondContact O-CG 3.24Å; I383-Q387 PolarHBondContact O-N 2.87Å; I383-Q387 PolarHBondContact O-OE1 3.38Å; I383-V401 HydrophobicContact CD1-CG1 4.24Å; I383-I424 HydrophobicContact CD1-CD1 3.92Å; I383-I424 HydrophobicContact CD1-CG1 3.7Å; I383-I424 HydrophobicContact CG1-CG1 4.12Å; I383-T618 HydrophobicContact CG2-CG2 3.63Å; I383-V624 HydrophobicContact CD1-CG1 4.42Å; I383-V624 HydrophobicContact CD1-CG2 4.06Å |
| 384 | G | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.6 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T380 V381 Q387 A388 S422 A786 | T380-G384 PolarHBondContact O-N 3.42Å; V381-G384 PolarHBondContact O-N 3.01Å; G384-Q387 VanDerWaalsContact CA-OE1 3.3Å; G384-Q387 PolarHBondContact O-N 3.34Å; G384-A388 VanDerWaalsContact O-CB 3.27Å; G384-A388 WeakPolarHBondContact O-CB 3.44Å; G384-A388 PolarHBondContact O-N 3.25Å; G384-S422 WeakPolarHBondContact CA-OG 3.36Å; G384-A786 WeakPolarHBondContact O-CB 3.3Å |
| 385 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 177.3 | 179.2 | 55.5 | 0 | 0 | 0 | 112 | V364 V381 T382 I383 A388 L389 V658 V688 L789 A790 V793 | V364-L385 HydrophobicContact CG1-CD2 4.26Å; V381-L385 VanDerWaalsContact O-CB 3.29Å; V381-L385 WeakPolarHBondContact O-CB 3.07Å; V381-L385 PolarHBondContact O-N 2.76Å; T382-L385 PolarHBondContact O-N 3.36Å; I383-L385 VanDerWaalsContact C-N 3.27Å; I383-L385 PolarHBondContact O-N 3.24Å; L385-A388 PolarHBondContact O-N 2.6Å; L385-L389 HydrophobicContact CD1-CD1 4.03Å; L385-L389 HydrophobicContact CD1-CG 4.11Å; L385-L389 HydrophobicContact CG-CD1 3.98Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 WeakPolarHBondContact O-CD1 3.41Å; L385-L389 VanDerWaalsContact O-CG 3.25Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.43Å; L385-V658 HydrophobicContact CD2-CG1 3.82Å; L385-V658 HydrophobicContact CD2-CG2 4.13Å; L385-V658 HydrophobicContact CG-CG1 4.32Å; L385-V658 HydrophobicContact CG-CG2 4.09Å; L385-V688 HydrophobicContact CD2-CG2 4.03Å; L385-L789 HydrophobicContact CB-CD2 4.28Å; L385-L789 HydrophobicContact CD1-CD2 4.24Å; L385-L789 HydrophobicContact CD1-CG 4.08Å; L385-L789 HydrophobicContact CD2-CD2 4.42Å; L385-A790 HydrophobicContact CD1-CB 3.92Å; L385-V793 HydrophobicContact CD1-CB 4.49Å; L385-V793 HydrophobicContact CD1-CG2 4.27Å; L385-V793 HydrophobicContact CD2-CG2 4.1Å |
| 386 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | T382 I383 L389 N390 G399 C622 V658 | T382-V386 VanDerWaalsContact O-CG2 3.32Å; T382-V386 WeakPolarHBondContact O-CG2 3.47Å; T382-V386 PolarHBondContact O-N 3.4Å; T382-V386 VanDerWaalsContact O-N 3.11Å; I383-V386 PolarHBondContact O-N 3.3Å; I383-V386 VanDerWaalsContact O-N 3.14Å; V386-L389 PolarHBondContact O-N 2.93Å; V386-N390 PolarHBondContact O-N 3.12Å; V386-N390 VanDerWaalsContact O-N 3.14Å; V386-N390 PolarHBondContact O-ND2 2.93Å; V386-G399 VanDerWaalsContact CG2-CA 3.47Å; V386-C622 HydrophobicContact CG1-CB 4.27Å; V386-V658 HydrophobicContact CG2-CB 3.64Å; V386-V658 HydrophobicContact CG2-CG1 4.35Å; V386-V658 HydrophobicContact CG2-CG2 3.8Å |
| 387 | Q | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 175.1 | -67.9 | 167.5 | -49 | 0 | 0 | 110.4 | I383 G384 L389 N390 V391 Y421 S422 T618 E620 A783 | I383-Q387 HydrophobicContact CG2-CG 4.22Å; I383-Q387 VanDerWaalsContact O-CG 3.26Å; I383-Q387 WeakPolarHBondContact O-CG 3.24Å; I383-Q387 PolarHBondContact O-N 2.87Å; I383-Q387 PolarHBondContact O-OE1 3.38Å; G384-Q387 VanDerWaalsContact CA-OE1 3.3Å; G384-Q387 PolarHBondContact O-N 3.34Å; Q387-L389 PolarHBondContact O-N 3.23Å; Q387-N390 PolarHBondContact O-N 2.97Å; Q387-V391 VanDerWaalsContact O-CB 3.25Å; Q387-V391 WeakPolarHBondContact O-CB 3.24Å; Q387-V391 VanDerWaalsContact O-CG2 3.3Å; Q387-V391 WeakPolarHBondContact O-CG2 3.34Å; Q387-V391 PolarHBondContact O-N 2.84Å; Q387-Y421 PolarHBondContact NE2-O 3.22Å; Q387-Y421 PolarHBondContact OE1-O 3.15Å; Q387-S422 VanDerWaalsContact OE1-CA 3.3Å; Q387-S422 PolarHBondContact OE1-OG 2.99Å; Q387-T618 HydrophobicContact CG-CG2 3.92Å; Q387-E620 WeakPolarHBondContact CG-OE2 3.34Å; Q387-E620 PolarHBondContact NE2-OE1 2.85Å; Q387-E620 PolarHBondContact NE2-OE2 3.12Å; Q387-A783 HydrophobicContact CB-CB 3.82Å |
| 388 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -62.9 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G384 L385 S392 L393 A783 A786 A790 | G384-A388 VanDerWaalsContact O-CB 3.27Å; G384-A388 WeakPolarHBondContact O-CB 3.44Å; G384-A388 PolarHBondContact O-N 3.25Å; L385-A388 PolarHBondContact O-N 2.6Å; A388-S392 WeakPolarHBondContact O-CA 3.49Å; A388-S392 WeakPolarHBondContact O-CB 3.34Å; A388-S392 PolarHBondContact O-N 3.24Å; A388-L393 PolarHBondContact O-N 3.25Å; A388-A783 WeakPolarHBondContact CB-O 3.47Å; A388-A786 VanDerWaalsContact CB-C 3.49Å; A388-A786 HydrophobicContact CB-CB 3.77Å; A388-A786 WeakPolarHBondContact CB-O 3.43Å; A388-A790 HydrophobicContact CB-CB 3.73Å |
| 389 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -62.1 | -47.1 | 176.7 | -74 | 162.8 | 0 | 0 | 0 | 111.5 | L385 V386 Q387 L393 C394 A395 A397 F656 V658 A790 | L385-L389 HydrophobicContact CD1-CD1 4.03Å; L385-L389 HydrophobicContact CD1-CG 4.11Å; L385-L389 HydrophobicContact CG-CD1 3.98Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 WeakPolarHBondContact O-CD1 3.41Å; L385-L389 VanDerWaalsContact O-CG 3.25Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.43Å; V386-L389 PolarHBondContact O-N 2.93Å; Q387-L389 PolarHBondContact O-N 3.23Å; L389-L393 HydrophobicContact CD2-CD1 4.28Å; L389-L393 CarbonylContact O-C 3.58Å; L389-L393 WeakPolarHBondContact O-CB 3.44Å; L389-L393 PolarHBondContact O-N 3.34Å; L389-C394 PolarHBondContact O-N 3.39Å; L389-A395 CarbonylContact C-O 3.4Å; L389-A395 PolarHBondContact O-N 2.83Å; L389-A397 HydrophobicContact CB-CB 3.53Å; L389-A397 HydrophobicContact CD1-CB 3.84Å; L389-A397 HydrophobicContact CG-CB 4.31Å; L389-F656 HydrophobicContact CD1-CB 3.92Å; L389-F656 HydrophobicContact CD1-CG 4.29Å; L389-F656 HydrophobicContact CD2-CD2 4.01Å; L389-F656 HydrophobicContact CD2-CE2 4.39Å; L389-F656 HydrophobicContact CD2-CG 4.12Å; L389-V658 HydrophobicContact CD1-CG2 3.65Å; L389-A790 HydrophobicContact CD2-CB 4.01Å; L389-A790 HydrophobicContact CG-CB 4.06Å |
| 390 | N | 97.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 13.3 Ų | 13.3 | 6% | 0.064 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -71.5 | -49.7 | 179.1 | -74.7 | -76.8 | 0 | 0 | 0 | 112.4 | L297 V386 Q387 C394 A395 A397 C622 | L297-N390 WeakPolarHBondContact CD1-OD1 3.31Å; V386-N390 PolarHBondContact O-N 3.12Å; V386-N390 VanDerWaalsContact O-N 3.14Å; V386-N390 PolarHBondContact O-ND2 2.93Å; Q387-N390 PolarHBondContact O-N 2.97Å; N390-C394 VanDerWaalsContact O-CA 3.25Å; N390-C394 WeakPolarHBondContact O-CA 3.11Å; N390-C394 PolarHBondContact O-N 3.42Å; N390-A395 WeakPolarHBondContact CA-O 3.45Å; N390-A395 PolarHBondContact OD1-O 3.36Å; N390-A397 PolarHBondContact ND2-O 3.43Å; N390-A397 PolarHBondContact OD1-N 3.42Å; N390-C622 HydrophobicContact CB-CB 4.34Å |
| 391 | V | 96.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 12.8 Ų | 12.8 | 29% | 0.291 | 8% | 0.082 | S | C | . | . | I | π-helix | trans | -85.2 | -44.7 | -169.3 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | I299 Q387 E620 A783 | I299-V391 HydrophobicContact CD1-CG2 4.05Å; I299-V391 HydrophobicContact CG1-CG2 4.4Å; I299-V391 HydrophobicContact CG2-CG1 4.08Å; I299-V391 HydrophobicContact CG2-CG2 3.76Å; Q387-V391 VanDerWaalsContact O-CB 3.25Å; Q387-V391 WeakPolarHBondContact O-CB 3.24Å; Q387-V391 VanDerWaalsContact O-CG2 3.3Å; Q387-V391 WeakPolarHBondContact O-CG2 3.34Å; Q387-V391 PolarHBondContact O-N 2.84Å; V391-E620 HydrophobicContact CG2-CB 4.02Å; V391-E620 HydrophobicContact CG2-CG 4.2Å; V391-A783 HydrophobicContact CB-CB 3.85Å; V391-A783 HydrophobicContact CG1-CB 4.12Å; V391-A783 HydrophobicContact CG2-CB 4.22Å |
| 392 | S | 95 | Very high | 97.3 | Very high | 47 Ų | 47 | 15.5 Ų | 15.5 | 33% | 0.329 | 9% | 0.092 | S | C | . | . | I | π-helix | trans | -86.4 | -34.9 | -175.2 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | A388 S787 | A388-S392 WeakPolarHBondContact O-CA 3.49Å; A388-S392 WeakPolarHBondContact O-CB 3.34Å; A388-S392 PolarHBondContact O-N 3.24Å; S392-S787 WeakPolarHBondContact CB-OG 3.5Å; S392-S787 PolarHBondContact OG-OG 3.49Å |
| 393 | L | 94.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 15.9 Ų | 15.9 | 19% | 0.194 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -3.7 | -176.4 | -56.2 | -167.7 | 0 | 0 | 0 | 114.2 | A388 L389 A395 A790 N791 K794 | A388-L393 PolarHBondContact O-N 3.25Å; L389-L393 HydrophobicContact CD2-CD1 4.28Å; L389-L393 CarbonylContact O-C 3.58Å; L389-L393 WeakPolarHBondContact O-CB 3.44Å; L389-L393 PolarHBondContact O-N 3.34Å; L393-A395 HydrophobicContact CB-CB 4.34Å; L393-A395 PolarHBondContact O-N 2.65Å; L393-A395 VanDerWaalsContact O-N 3.11Å; L393-A790 HydrophobicContact CD1-CB 3.8Å; L393-A790 HydrophobicContact CG-CB 4.22Å; L393-N791 WeakPolarHBondContact CD2-OD1 3.42Å; L393-K794 HydrophobicContact CD1-CD 4.25Å |
| 394 | C | 93.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 16.7 Ų | 16.7 | 62% | 0.622 | 10% | 0.099 | S | C | * | . | trans | 50.3 | 32.9 | -174.2 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | L389 N390 | L389-C394 PolarHBondContact O-N 3.39Å; N390-C394 VanDerWaalsContact O-CA 3.25Å; N390-C394 WeakPolarHBondContact O-CA 3.11Å; N390-C394 PolarHBondContact O-N 3.42Å | ||
| 395 | A | 95.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 17 Ų | 17 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | trans | -100.7 | 133.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L389 N390 L393 A397 F656 | L389-A395 CarbonylContact C-O 3.4Å; L389-A395 PolarHBondContact O-N 2.83Å; N390-A395 WeakPolarHBondContact CA-O 3.45Å; N390-A395 PolarHBondContact OD1-O 3.36Å; L393-A395 HydrophobicContact CB-CB 4.34Å; L393-A395 PolarHBondContact O-N 2.65Å; L393-A395 VanDerWaalsContact O-N 3.11Å; A395-A397 PolarHBondContact O-N 3.03Å; A395-A397 VanDerWaalsContact O-N 3.08Å; A395-F656 HydrophobicContact CB-CD2 4.1Å; A395-F656 HydrophobicContact CB-CE2 4.06Å | ||
| 396 | N | 97.1 | Very high | 96 | Very high | 15 Ų | 15 | 18 Ų | 18 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | trans | -58.8 | 117.8 | 176 | -61.5 | -8.1 | 0 | 0 | 0 | 109 | K293 S294 W295 V651 G655 F656 | K293-N396 PolarHBondContact O-ND2 2.81Å; K293-N396 PolarHBondContact O-OD1 2.8Å; S294-N396 VanDerWaalsContact CA-OD1 3.31Å; S294-N396 WeakPolarHBondContact CA-OD1 3.41Å; W295-N396 HydrophobicContact CD2-CB 3.76Å; W295-N396 VanDerWaalsContact CD2-CG 3.43Å; W295-N396 HydrophobicContact CE3-CB 3.74Å; W295-N396 HydrophobicContact CG-CB 4.44Å; W295-N396 HydrophobicContact CH2-CB 4.05Å; W295-N396 HydrophobicContact CZ2-CB 4.05Å; W295-N396 HydrophobicContact CZ3-CB 3.89Å; W295-N396 PolarHBondContact N-OD1 2.87Å; W295-N396 PolarHBondContact NE1-ND2 2.8Å; N396-V651 HydrophobicContact CB-CB 4.21Å; N396-V651 HydrophobicContact CB-CG1 4.49Å; N396-V651 PolarHBondContact ND2-O 3Å; N396-G655 CarbonylContact O-C 3.57Å; N396-G655 VanDerWaalsContact O-CA 3.23Å; N396-G655 WeakPolarHBondContact O-CA 3.34Å; N396-F656 PolarHBondContact O-N 2.9Å | ||
| 397 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L389 N390 A395 P623 F656 | L389-A397 HydrophobicContact CB-CB 3.53Å; L389-A397 HydrophobicContact CD1-CB 3.84Å; L389-A397 HydrophobicContact CG-CB 4.31Å; N390-A397 PolarHBondContact ND2-O 3.43Å; N390-A397 PolarHBondContact OD1-N 3.42Å; A395-A397 PolarHBondContact O-N 3.03Å; A395-A397 VanDerWaalsContact O-N 3.08Å; A397-P623 WeakPolarHBondContact O-CG 3.34Å; A397-F656 WeakPolarHBondContact CA-O 3.48Å; A397-F656 HydrophobicContact CB-CB 4.16Å |
| 398 | I | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.9 | 173.8 | -71.4 | 170.2 | 0 | 0 | 0 | 108.8 | W295 I330 P623 L625 A647 L650 V651 F656 V657 V658 | W295-I398 HydrophobicContact CH2-CD1 3.56Å; W295-I398 HydrophobicContact CH2-CG1 3.63Å; W295-I398 HydrophobicContact CZ2-CD1 4.43Å; W295-I398 HydrophobicContact CZ3-CD1 4.32Å; W295-I398 HydrophobicContact CZ3-CG1 3.92Å; I330-I398 HydrophobicContact CD1-CD1 4.49Å; I398-P623 HydrophobicContact CG1-CB 4.08Å; I398-P623 HydrophobicContact CG1-CG 3.72Å; I398-L625 HydrophobicContact CG2-CB 4.42Å; I398-L625 HydrophobicContact CG2-CD1 4.3Å; I398-L625 HydrophobicContact CG2-CG 3.86Å; I398-A647 HydrophobicContact CB-CB 3.96Å; I398-A647 HydrophobicContact CD1-CB 4.13Å; I398-A647 HydrophobicContact CG2-CB 3.68Å; I398-L650 HydrophobicContact CD1-CB 4.01Å; I398-L650 HydrophobicContact CD1-CD1 4.03Å; I398-V651 HydrophobicContact CB-CG1 4.24Å; I398-V651 HydrophobicContact CD1-CG1 4.05Å; I398-V651 HydrophobicContact CG1-CG1 4Å; I398-F656 PolarHBondContact N-O 3.46Å; I398-F656 VanDerWaalsContact N-O 3.09Å; I398-V657 WeakPolarHBondContact O-CA 3.49Å; I398-V658 PolarHBondContact O-N 3.28Å |
| 399 | G | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V386 P623 V624 L625 V658 | V386-G399 VanDerWaalsContact CG2-CA 3.47Å; G399-P623 PolarHBondContact N-O 2.94Å; G399-V624 CarbonylContact O-C 3.58Å; G399-V624 WeakPolarHBondContact O-CA 3.36Å; G399-L625 PolarHBondContact O-N 3.46Å; G399-V658 CarbonylContact C-O 3.54Å; G399-V658 WeakPolarHBondContact CA-O 3.43Å |
| 400 | C | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.3 | 171.6 | -72.1 | 0 | 0 | 0 | 0 | 109.5 | L625 D644 V657 V658 T659 | C400-L625 WeakPolarHBondContact CA-O 3.39Å; C400-D644 WeakPolarHBondContact CB-OD1 3.31Å; C400-V657 HydrophobicContact CB-CG1 4.48Å; C400-V658 PolarHBondContact N-O 2.85Å; C400-T659 WeakPolarHBondContact O-CA 3.45Å; C400-T659 PolarHBondContact O-OG1 3.46Å |
| 401 | V | 97.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 167.3 | -176.6 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | T382 I383 I424 F430 V624 L625 V626 H627 | T382-V401 HydrophobicContact CG2-CG1 4.18Å; I383-V401 HydrophobicContact CD1-CG1 4.24Å; V401-I424 HydrophobicContact CG2-CD1 3.55Å; V401-F430 HydrophobicContact CG2-CE2 4.05Å; V401-F430 HydrophobicContact CG2-CZ 4.38Å; V401-V624 HydrophobicContact CG2-CG1 3.82Å; V401-L625 PolarHBondContact N-O 3.47Å; V401-V626 HydrophobicContact CG2-CB 4.44Å; V401-V626 HydrophobicContact CG2-CG1 4.43Å; V401-V626 HydrophobicContact CG2-CG2 3.91Å; V401-H627 PolarHBondContact O-N 3.15Å; V401-H627 VanDerWaalsContact O-N 3.11Å |
| 402 | R | 95.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -82.6 | 149.4 | 176.1 | -66 | -173.5 | -59.9 | 134.4 | 15.5 | 111.1 | T628 P630 G637 E660 | R402-T628 CarbonylContact C-O 3.5Å; R402-T628 WeakPolarHBondContact CA-O 3.11Å; R402-T628 WeakPolarHBondContact CB-O 3.25Å; R402-P630 PolarHBondContact NH1-O 3.17Å; R402-G637 VanDerWaalsContact CD-O 3.27Å; R402-G637 WeakPolarHBondContact CD-O 3.33Å; R402-G637 PolarHBondContact NE-O 2.81Å; R402-E660 IonicContact NE-OE1 2.86Å |
| 403 | Q | 94 | Very high | 90 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 133.1 | 163.4 | -177.5 | 176.7 | -8.6 | 0 | 0 | 109.9 | L434 I438 V626 T628 | Q403-L434 HydrophobicContact CB-CD2 4.26Å; Q403-L434 HydrophobicContact CG-CB 4.35Å; Q403-L434 HydrophobicContact CG-CD2 3.82Å; Q403-I438 HydrophobicContact CG-CD1 3.98Å; Q403-I438 HydrophobicContact CG-CG1 4.4Å; Q403-V626 HydrophobicContact CB-CG1 3.99Å; Q403-T628 PolarHBondContact N-O 3.29Å |
| 404 | P | 91.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 146.5 | 170.8 | 25.8 | -31.2 | 0 | 0 | 0 | 112.5 | G415 F430 I438 | P404-G415 VanDerWaalsContact CB-O 3.31Å; P404-G415 WeakPolarHBondContact CB-O 3.35Å; P404-F430 HydrophobicContact CG-CD1 3.99Å; P404-F430 HydrophobicContact CG-CE1 3.7Å; P404-F430 HydrophobicContact CG-CZ 4.25Å; P404-F430 VanDerWaalsContact CG-O 3.29Å; P404-F430 WeakPolarHBondContact CG-O 3.24Å; P404-I438 WeakPolarHBondContact O-CD1 3.42Å |
| 405 | S | 90.8 | Very high | 87.8 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -88.5 | 149.4 | 169.5 | 154.8 | 0 | 0 | 0 | 0 | 109.9 | G407 P408 T409 D527 I555 | S405-G407 PolarHBondContact O-N 2.83Å; S405-G407 PolarHBondContact OG-N 3.34Å; S405-P408 WeakPolarHBondContact O-CD 3.35Å; S405-P408 VanDerWaalsContact OG-CD 3.27Å; S405-P408 WeakPolarHBondContact OG-CD 3.44Å; S405-T409 PolarHBondContact O-N 3.24Å; S405-T409 PolarHBondContact O-OG1 2.8Å; S405-D527 WeakPolarHBondContact CB-OD1 3.4Å; S405-D527 PolarHBondContact OG-OD1 2.9Å; S405-I555 WeakPolarHBondContact OG-CD1 3.32Å |
| 406 | L | 89.3 | Confident | 87.1 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -28.2 | 177.9 | -63.9 | -178.7 | 0 | 0 | 0 | 112.1 | T409 F410 L432 D527 | L406-T409 PolarHBondContact O-N 3.08Å; L406-F410 HydrophobicContact CB-CD2 4.15Å; L406-F410 HydrophobicContact CB-CE2 4.31Å; L406-F410 HydrophobicContact CD2-CE2 4.05Å; L406-F410 WeakPolarHBondContact O-CD2 3.39Å; L406-F410 PolarHBondContact O-N 3.41Å; L406-L432 HydrophobicContact CD2-CD2 4.31Å; L406-D527 WeakPolarHBondContact CB-OD2 3.47Å; L406-D527 WeakPolarHBondContact CG-OD2 3.4Å; L406-D527 PolarHBondContact N-OD2 2.93Å |
| 407 | G | 86.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.7 | -60.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S405 T409 G411 N529 | S405-G407 PolarHBondContact O-N 2.83Å; S405-G407 PolarHBondContact OG-N 3.34Å; G407-T409 VanDerWaalsContact C-N 3.33Å; G407-T409 PolarHBondContact O-N 3.46Å; G407-G411 WeakPolarHBondContact O-CA 3.43Å; G407-G411 PolarHBondContact O-N 3.45Å; G407-N529 WeakPolarHBondContact CA-OD1 3.31Å; G407-N529 PolarHBondContact O-ND2 2.92Å; G407-N529 PolarHBondContact O-OD1 3.4Å |
| 408 | P | 83.1 | Confident | 86.2 | Confident | 44 Ų | 44 | 29.8 Ų | 29.8 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.5 | -39.4 | 173.9 | -28.1 | 36.3 | 0 | 0 | 0 | 114.6 | S405 G411 M412 K413 | S405-P408 WeakPolarHBondContact O-CD 3.35Å; S405-P408 VanDerWaalsContact OG-CD 3.27Å; S405-P408 WeakPolarHBondContact OG-CD 3.44Å; P408-G411 PolarHBondContact O-N 2.88Å; P408-G411 VanDerWaalsContact O-N 3.1Å; P408-M412 PolarHBondContact O-N 2.89Å; P408-K413 HydrophobicContact CB-CB 4.46Å; P408-K413 PolarHBondContact O-N 2.8Å |
| 409 | T | 85.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | -177.2 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | S405 L406 G407 G411 N431 L432 M914 L926 | S405-T409 PolarHBondContact O-N 3.24Å; S405-T409 PolarHBondContact O-OG1 2.8Å; L406-T409 PolarHBondContact O-N 3.08Å; G407-T409 VanDerWaalsContact C-N 3.33Å; G407-T409 PolarHBondContact O-N 3.46Å; T409-G411 VanDerWaalsContact C-N 3.26Å; T409-G411 PolarHBondContact O-N 2.95Å; T409-N431 HydrophobicContact CG2-CB 4.25Å; T409-L432 HydrophobicContact CG2-CD2 4.29Å; T409-M914 WeakPolarHBondContact O-CE 3.42Å; T409-L926 HydrophobicContact CG2-CD1 3.84Å |
| 410 | F | 87.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 29.9 Ų | 29.9 | 30% | 0.303 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.2 | 174.4 | -67.3 | -68.5 | 0 | 0 | 0 | 113.5 | L406 L432 P909 A910 F911 M914 | L406-F410 HydrophobicContact CB-CD2 4.15Å; L406-F410 HydrophobicContact CB-CE2 4.31Å; L406-F410 HydrophobicContact CD2-CE2 4.05Å; L406-F410 WeakPolarHBondContact O-CD2 3.39Å; L406-F410 PolarHBondContact O-N 3.41Å; F410-L432 HydrophobicContact CE2-CD2 4.29Å; F410-L432 HydrophobicContact CZ-CD2 3.93Å; F410-P909 WeakPolarHBondContact O-CB 3.39Å; F410-A910 PolarHBondContact O-N 3.33Å; F410-F911 HydrophobicContact CB-CD1 4.43Å; F410-F911 HydrophobicContact CD1-CB 3.83Å; F410-M914 HydrophobicContact CD1-CE 4.23Å; F410-M914 HydrophobicContact CD1-SD 3.43Å; F410-M914 WeakPolarHBondContact CD1-SD 3.3Å; F410-M914 HydrophobicContact CE1-SD 3.41Å; F410-M914 WeakPolarHBondContact CE1-SD 3.33Å |
| 411 | G | 81.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -108.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G407 P408 T409 N529 A910 | G407-G411 WeakPolarHBondContact O-CA 3.43Å; G407-G411 PolarHBondContact O-N 3.45Å; P408-G411 PolarHBondContact O-N 2.88Å; P408-G411 VanDerWaalsContact O-N 3.1Å; T409-G411 VanDerWaalsContact C-N 3.26Å; T409-G411 PolarHBondContact O-N 2.95Å; G411-N529 WeakPolarHBondContact CA-ND2 3.44Å; G411-A910 WeakPolarHBondContact O-CB 3.37Å; G411-A910 PolarHBondContact O-N 2.94Å |
| 412 | M | 68.4 | Low | 85.7 | Confident | 155 Ų | 155 | 29.8 Ų | 29.8 | 76% | 0.764 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -20.4 | -177.8 | -66.5 | -171.3 | -66.2 | 0 | 0 | 114.6 | P408 P906 | P408-M412 PolarHBondContact O-N 2.89Å; M412-P906 HydrophobicContact CG-CB 3.91Å; M412-P906 HydrophobicContact CG-CG 3.63Å; M412-P906 HydrophobicContact SD-CB 3.8Å; M412-P906 HydrophobicContact SD-CG 4.23Å |
| 413 | K | 65.1 | Low | 85.7 | Confident | 142 Ų | 142 | 27.1 Ų | 27.1 | 62% | 0.617 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -98.4 | -7.8 | -165.8 | -75.8 | -170.2 | 175.1 | -173.4 | 0 | 114.3 | P408 | P408-K413 HydrophobicContact CB-CB 4.46Å; P408-K413 PolarHBondContact O-N 2.8Å |
| 414 | G | 67.8 | Low | 85.8 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | trans | 64.8 | -169.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 415 | G | 73.5 | Confident | 86.1 | Confident | 6 Ų | 6 | 26 Ų | 26 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | trans | -99.8 | 3.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | P404 A417 F430 N431 | P404-G415 VanDerWaalsContact CB-O 3.31Å; P404-G415 WeakPolarHBondContact CB-O 3.35Å; G415-A417 VanDerWaalsContact C-N 3.32Å; G415-A417 PolarHBondContact O-N 3.09Å; G415-F430 WeakPolarHBondContact O-CE1 3.4Å; G415-N431 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 416 | A | 80.4 | Confident | 86.3 | Confident | 60 Ų | 60 | 25.9 Ų | 25.9 | 50% | 0.496 | 15% | 0.146 | S | C | . | . | trans | 57 | 37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | G418 | A416-G418 PolarHBondContact O-N 2.94Å; A416-G418 VanDerWaalsContact O-N 3.09Å | ||
| 417 | A | 85.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | trans | -68.7 | -0.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G415 Q423 I424 M427 F430 | G415-A417 VanDerWaalsContact C-N 3.32Å; G415-A417 PolarHBondContact O-N 3.09Å; A417-Q423 CarbonylContact O-C 3.57Å; A417-Q423 VanDerWaalsContact O-CA 3.29Å; A417-Q423 WeakPolarHBondContact O-CA 3.35Å; A417-I424 PolarHBondContact O-N 3.5Å; A417-M427 HydrophobicContact CB-CE 3.89Å; A417-M427 HydrophobicContact CB-CG 4.44Å; A417-F430 HydrophobicContact CB-CD1 3.45Å; A417-F430 VanDerWaalsContact CB-CD1 3.45Å; A417-F430 HydrophobicContact CB-CE1 3.55Å; A417-F430 HydrophobicContact CB-CG 4.33Å; A417-F430 HydrophobicContact CB-CZ 4.47Å | ||
| 418 | G | 92 | Very high | 86.5 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 12% | 0.124 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -162.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A416 S422 | A416-G418 PolarHBondContact O-N 2.94Å; A416-G418 VanDerWaalsContact O-N 3.09Å; G418-S422 CarbonylContact C-O 3.55Å; G418-S422 VanDerWaalsContact CA-O 3.29Å; G418-S422 WeakPolarHBondContact CA-O 3.43Å |
| 419 | G | 92.1 | Very high | 87 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 160.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D311 T380 Y421 S422 | D311-G419 WeakPolarHBondContact OD2-CA 3.44Å; T380-G419 WeakPolarHBondContact CG2-O 3.29Å; T380-G419 PolarHBondContact OG1-N 2.99Å; G419-Y421 PolarHBondContact O-N 3.43Å; G419-S422 PolarHBondContact N-O 3.02Å; G419-S422 CarbonylContact O-C 3.53Å; G419-S422 PolarHBondContact O-N 2.98Å |
| 420 | G | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -132.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D311 S422 Q423 W779 | D311-G420 PolarHBondContact OD1-N 2.79Å; G420-S422 PolarHBondContact O-N 2.78Å; G420-Q423 WeakPolarHBondContact O-CG 3.41Å; G420-Q423 PolarHBondContact O-NE2 3.2Å; G420-W779 CarbonylContact C-O 3.57Å; G420-W779 WeakPolarHBondContact CA-O 3.19Å; G420-W779 VanDerWaalsContact N-CD1 3.3Å |
| 421 | Y | 97.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.7 | 176.3 | -59.7 | -76 | 0 | 0 | 0 | 113.8 | V302 H304 Q305 V308 P309 I314 Q387 G419 L619 W779 A780 | V302-Y421 HydrophobicContact CG1-CD1 3.45Å; V302-Y421 VanDerWaalsContact CG1-CD1 3.45Å; V302-Y421 HydrophobicContact CG1-CE1 3.98Å; V302-Y421 HydrophobicContact CG1-CG 4.4Å; H304-Y421 HydrophobicContact CB-CE2 4.41Å; H304-Y421 AromaticContact CD2-CD1 3.88Å; H304-Y421 AromaticContact CD2-CD2 3.51Å; H304-Y421 AromaticContact CD2-CE2 3.81Å; H304-Y421 AromaticContact CD2-CG 3.54Å; H304-Y421 AromaticContact NE2-CG 3.77Å; Q305-Y421 PolarHBondContact N-OH 3.49Å; Q305-Y421 PolarHBondContact O-OH 3.32Å; V308-Y421 HydrophobicContact CG1-CD2 4.4Å; V308-Y421 HydrophobicContact CG1-CE2 3.9Å; V308-Y421 HydrophobicContact CG2-CE2 4.22Å; P309-Y421 WeakPolarHBondContact CD-OH 3.37Å; I314-Y421 HydrophobicContact CD1-CD1 4.47Å; I314-Y421 HydrophobicContact CD1-CE1 4.17Å; I314-Y421 HydrophobicContact CD1-CE2 4.37Å; I314-Y421 HydrophobicContact CG1-CE1 4.07Å; I314-Y421 HydrophobicContact CG2-CD1 3.75Å; I314-Y421 HydrophobicContact CG2-CE1 3.82Å; Q387-Y421 PolarHBondContact NE2-O 3.22Å; Q387-Y421 PolarHBondContact OE1-O 3.15Å; G419-Y421 PolarHBondContact O-N 3.43Å; Y421-L619 HydrophobicContact CD1-CD1 4.3Å; Y421-L619 WeakPolarHBondContact O-CD1 3.29Å; Y421-W779 WeakPolarHBondContact CD2-O 3.32Å; Y421-W779 PolarHBondContact N-O 3.05Å; Y421-A780 WeakPolarHBondContact CD2-O 3.4Å |
| 422 | S | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 76.1 | 172.8 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | T380 G384 Q387 G418 G419 G420 N778 | T380-S422 VanDerWaalsContact O-CB 3.31Å; T380-S422 WeakPolarHBondContact O-CB 3.32Å; G384-S422 WeakPolarHBondContact CA-OG 3.36Å; Q387-S422 VanDerWaalsContact OE1-CA 3.3Å; Q387-S422 PolarHBondContact OE1-OG 2.99Å; G418-S422 CarbonylContact C-O 3.55Å; G418-S422 VanDerWaalsContact CA-O 3.29Å; G418-S422 WeakPolarHBondContact CA-O 3.43Å; G419-S422 PolarHBondContact N-O 3.02Å; G419-S422 CarbonylContact O-C 3.53Å; G419-S422 PolarHBondContact O-N 2.98Å; G420-S422 PolarHBondContact O-N 2.78Å; S422-N778 VanDerWaalsContact CB-ND2 3.26Å; S422-N778 WeakPolarHBondContact CB-ND2 3.19Å; S422-N778 WeakPolarHBondContact OG-CB 3.06Å; S422-N778 PolarHBondContact OG-ND2 3.43Å; S422-N778 PolarHBondContact OG-O 2.85Å; S422-N778 VanDerWaalsContact OG-O 3.06Å |
| 423 | Q | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.3 | -178.3 | 60.5 | 174.5 | -57 | 0 | 0 | 112.4 | D311 A417 G420 I425 T618 L619 | D311-Q423 PolarHBondContact O-NE2 3.49Å; D311-Q423 PolarHBondContact O-OE1 3.04Å; A417-Q423 CarbonylContact O-C 3.57Å; A417-Q423 VanDerWaalsContact O-CA 3.29Å; A417-Q423 WeakPolarHBondContact O-CA 3.35Å; G420-Q423 WeakPolarHBondContact O-CG 3.41Å; G420-Q423 PolarHBondContact O-NE2 3.2Å; Q423-I425 HydrophobicContact CG-CG2 4.22Å; Q423-T618 WeakPolarHBondContact O-CA 3.42Å; Q423-L619 HydrophobicContact CG-CD1 3.78Å; Q423-L619 HydrophobicContact CG-CD2 4.37Å; Q423-L619 HydrophobicContact CG-CG 3.94Å; Q423-L619 PolarHBondContact O-N 2.91Å |
| 424 | I | 97.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.6 | 172.6 | -58.3 | 165.1 | 0 | 0 | 0 | 109 | I383 V401 A417 F430 M616 Q617 V624 | I383-I424 HydrophobicContact CD1-CD1 3.92Å; I383-I424 HydrophobicContact CD1-CG1 3.7Å; I383-I424 HydrophobicContact CG1-CG1 4.12Å; V401-I424 HydrophobicContact CG2-CD1 3.55Å; A417-I424 PolarHBondContact O-N 3.5Å; I424-F430 HydrophobicContact CB-CD2 4.27Å; I424-F430 HydrophobicContact CD1-CD2 3.99Å; I424-F430 HydrophobicContact CD1-CE2 3.51Å; I424-F430 HydrophobicContact CD1-CZ 3.96Å; I424-F430 HydrophobicContact CG2-CB 4.43Å; I424-F430 HydrophobicContact CG2-CD2 3.85Å; I424-F430 HydrophobicContact CG2-CE2 4.47Å; I424-F430 HydrophobicContact CG2-CG 4.28Å; I424-M616 HydrophobicContact CG2-CB 3.93Å; I424-M616 HydrophobicContact CG2-CE 4.19Å; I424-M616 HydrophobicContact CG2-SD 4.16Å; I424-Q617 WeakPolarHBondContact CA-O 3.39Å; I424-Q617 WeakPolarHBondContact CG2-O 3.03Å; I424-V624 HydrophobicContact CD1-CG1 3.69Å; I424-V624 HydrophobicContact CG1-CB 4.49Å; I424-V624 HydrophobicContact CG1-CG1 4.11Å; I424-V624 HydrophobicContact CG1-CG2 4.32Å |
| 425 | I | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.7 | -179.5 | 66.7 | 164.5 | 0 | 0 | 0 | 112 | S315 Q318 P320 Q423 Q617 L619 | S315-I425 VanDerWaalsContact OG-CG2 3.23Å; S315-I425 WeakPolarHBondContact OG-CG2 3.33Å; Q318-I425 HydrophobicContact CB-CD1 4.09Å; Q318-I425 HydrophobicContact CG-CD1 3.75Å; P320-I425 HydrophobicContact CB-CD1 3.9Å; P320-I425 HydrophobicContact CB-CG1 4.35Å; P320-I425 HydrophobicContact CG-CD1 3.99Å; Q423-I425 HydrophobicContact CG-CG2 4.22Å; I425-Q617 HydrophobicContact CG1-CG 4.04Å; I425-Q617 PolarHBondContact N-O 2.99Å; I425-L619 HydrophobicContact CD1-CD2 4.22Å; I425-L619 HydrophobicContact CG2-CD2 3.6Å; I425-L619 HydrophobicContact CG2-CG 4.07Å |
| 426 | P | 94.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | S | Bend | cis | -66.7 | 134.3 | -9.5 | -18.3 | 32.4 | 0 | 0 | 0 | 112 | P320 Y343 E428 E429 F430 | P320-P426 HydrophobicContact CG-CG 4Å; Y343-P426 HydrophobicContact CD2-CG 3.8Å; Y343-P426 HydrophobicContact CG-CG 4.11Å; P426-E428 VanDerWaalsContact C-N 3.31Å; P426-E428 HydrophobicContact CB-CG 4.46Å; P426-E428 WeakPolarHBondContact CB-OE1 3.44Å; P426-E428 PolarHBondContact O-N 2.75Å; P426-E429 HydrophobicContact CB-CB 4.24Å; P426-E429 HydrophobicContact CB-CG 4.17Å; P426-E429 HydrophobicContact CG-CG 4.37Å; P426-E429 PolarHBondContact O-N 3.24Å; P426-F430 PolarHBondContact O-N 3.29Å; P426-F430 VanDerWaalsContact O-N 3.09Å |
| 427 | M | 91.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | -171.7 | 176.1 | 177.5 | -108.8 | 0 | 0 | 111.6 | D311 I312 S315 A417 F430 N431 | D311-M427 HydrophobicContact CB-CE 3.65Å; D311-M427 HydrophobicContact CB-SD 4.19Å; I312-M427 HydrophobicContact CB-SD 4.35Å; I312-M427 HydrophobicContact CD1-CB 4.29Å; I312-M427 HydrophobicContact CD1-SD 4.3Å; S315-M427 WeakPolarHBondContact OG-CB 3.35Å; S315-M427 PolarHBondContact OG-N 3.19Å; A417-M427 HydrophobicContact CB-CE 3.89Å; A417-M427 HydrophobicContact CB-CG 4.44Å; M427-F430 PolarHBondContact O-N 2.92Å; M427-N431 VanDerWaalsContact CG-ND2 3.29Å; M427-N431 WeakPolarHBondContact CG-ND2 3.45Å; M427-N431 WeakPolarHBondContact O-CB 3.24Å; M427-N431 VanDerWaalsContact O-CG 3.31Å; M427-N431 PolarHBondContact O-N 2.92Å; M427-N431 PolarHBondContact O-ND2 3.42Å |
| 428 | E | 90.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 16.2 Ų | 16.2 | 26% | 0.262 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.1 | 63 | -80.4 | -166.4 | 0 | 0 | 112.3 | P426 F430 N431 L432 L926 | P426-E428 VanDerWaalsContact C-N 3.31Å; P426-E428 HydrophobicContact CB-CG 4.46Å; P426-E428 WeakPolarHBondContact CB-OE1 3.44Å; P426-E428 PolarHBondContact O-N 2.75Å; E428-F430 VanDerWaalsContact C-N 3.31Å; E428-F430 PolarHBondContact O-N 2.95Å; E428-N431 PolarHBondContact O-N 2.64Å; E428-L432 VanDerWaalsContact O-CB 3.24Å; E428-L432 WeakPolarHBondContact O-CB 3.2Å; E428-L432 WeakPolarHBondContact O-CG 3.41Å; E428-L432 PolarHBondContact O-N 2.87Å; E428-L926 VanDerWaalsContact CA-CD2 3.48Å; E428-L926 HydrophobicContact CB-CD2 3.95Å |
| 429 | E | 92.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 19 Ų | 19 | 21% | 0.21 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.6 | -30.9 | 178.3 | -71 | -163.1 | -133 | 0 | 0 | 112.5 | K344 P426 L434 M616 | K344-E429 HydrophobicContact CD-CB 4.45Å; K344-E429 WeakPolarHBondContact CD-OE2 3.35Å; K344-E429 WeakPolarHBondContact CE-OE2 3.47Å; K344-E429 IonicContact NZ-OE2 2.83Å; K344-E429 PolarHBondContact NZ-OE2 3.18Å; P426-E429 HydrophobicContact CB-CB 4.24Å; P426-E429 HydrophobicContact CB-CG 4.17Å; P426-E429 HydrophobicContact CG-CG 4.37Å; P426-E429 PolarHBondContact O-N 3.24Å; E429-L434 WeakPolarHBondContact O-CA 3.32Å; E429-M616 HydrophobicContact CB-CE 4.36Å |
| 430 | F | 93.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.7 | -43.7 | 175.2 | 174.9 | -95.3 | 0 | 0 | 0 | 111.8 | V401 P404 G415 A417 I424 P426 M427 E428 M616 V626 | V401-F430 HydrophobicContact CG2-CE2 4.05Å; V401-F430 HydrophobicContact CG2-CZ 4.38Å; P404-F430 HydrophobicContact CG-CD1 3.99Å; P404-F430 HydrophobicContact CG-CE1 3.7Å; P404-F430 HydrophobicContact CG-CZ 4.25Å; P404-F430 VanDerWaalsContact CG-O 3.29Å; P404-F430 WeakPolarHBondContact CG-O 3.24Å; G415-F430 WeakPolarHBondContact O-CE1 3.4Å; A417-F430 HydrophobicContact CB-CD1 3.45Å; A417-F430 VanDerWaalsContact CB-CD1 3.45Å; A417-F430 HydrophobicContact CB-CE1 3.55Å; A417-F430 HydrophobicContact CB-CG 4.33Å; A417-F430 HydrophobicContact CB-CZ 4.47Å; I424-F430 HydrophobicContact CB-CD2 4.27Å; I424-F430 HydrophobicContact CD1-CD2 3.99Å; I424-F430 HydrophobicContact CD1-CE2 3.51Å; I424-F430 HydrophobicContact CD1-CZ 3.96Å; I424-F430 HydrophobicContact CG2-CB 4.43Å; I424-F430 HydrophobicContact CG2-CD2 3.85Å; I424-F430 HydrophobicContact CG2-CE2 4.47Å; I424-F430 HydrophobicContact CG2-CG 4.28Å; P426-F430 PolarHBondContact O-N 3.29Å; P426-F430 VanDerWaalsContact O-N 3.09Å; M427-F430 PolarHBondContact O-N 2.92Å; E428-F430 VanDerWaalsContact C-N 3.31Å; E428-F430 PolarHBondContact O-N 2.95Å; F430-M616 HydrophobicContact CB-CE 3.98Å; F430-M616 HydrophobicContact CB-SD 4.03Å; F430-M616 HydrophobicContact CD2-SD 3.88Å; F430-M616 HydrophobicContact CG-SD 4.46Å; F430-V626 HydrophobicContact CD2-CG1 4.06Å; F430-V626 HydrophobicContact CD2-CG2 3.8Å; F430-V626 HydrophobicContact CE2-CB 4.24Å; F430-V626 HydrophobicContact CE2-CG1 3.57Å; F430-V626 HydrophobicContact CE2-CG2 3.61Å; F430-V626 HydrophobicContact CZ-CG1 4.49Å |
| 431 | N | 90.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -83.8 | -31.3 | -174.2 | -72 | -31.1 | 0 | 0 | 0 | 113.8 | T409 G415 M427 E428 L926 | T409-N431 HydrophobicContact CG2-CB 4.25Å; G415-N431 WeakPolarHBondContact CA-OD1 3.48Å; M427-N431 VanDerWaalsContact CG-ND2 3.29Å; M427-N431 WeakPolarHBondContact CG-ND2 3.45Å; M427-N431 WeakPolarHBondContact O-CB 3.24Å; M427-N431 VanDerWaalsContact O-CG 3.31Å; M427-N431 PolarHBondContact O-N 2.92Å; M427-N431 PolarHBondContact O-ND2 3.42Å; E428-N431 PolarHBondContact O-N 2.64Å; N431-L926 HydrophobicContact CB-CD1 4.34Å; N431-L926 HydrophobicContact CB-CD2 3.97Å; N431-L926 HydrophobicContact CB-CG 4.48Å |
| 432 | L | 90.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 19% | 0.188 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 108.5 | -172.3 | -56.1 | 176.7 | 0 | 0 | 0 | 110.5 | L406 T409 F410 E428 L434 V923 L926 | L406-L432 HydrophobicContact CD2-CD2 4.31Å; T409-L432 HydrophobicContact CG2-CD2 4.29Å; F410-L432 HydrophobicContact CE2-CD2 4.29Å; F410-L432 HydrophobicContact CZ-CD2 3.93Å; E428-L432 VanDerWaalsContact O-CB 3.24Å; E428-L432 WeakPolarHBondContact O-CB 3.2Å; E428-L432 WeakPolarHBondContact O-CG 3.41Å; E428-L432 PolarHBondContact O-N 2.87Å; L432-L434 PolarHBondContact O-N 2.85Å; L432-V923 HydrophobicContact CD1-CG1 4.41Å; L432-V923 HydrophobicContact CD1-CG2 4.42Å; L432-L926 HydrophobicContact CD1-CD2 4.3Å; L432-L926 HydrophobicContact CD2-CD1 4.17Å; L432-L926 HydrophobicContact CG-CD1 4.43Å; L432-L926 HydrophobicContact CG-CD2 4.33Å |
| 433 | H | 90.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 23.1 Ų | 23.1 | 49% | 0.491 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -31.6 | 177.3 | -50.4 | -86.1 | 0 | 0 | 0 | 116.6 | T435 G436 H439 | H433-T435 PolarHBondContact O-N 3.16Å; H433-G436 PolarHBondContact O-N 2.96Å; H433-H439 AromaticContact CG-NE2 3.97Å; H433-H439 AromaticContact ND1-CD2 3.96Å; H433-H439 AromaticContact ND1-CE1 3.82Å; H433-H439 AromaticContact ND1-NE2 3.09Å; H433-H439 PolarHBondContact ND1-NE2 2.88Å |
| 434 | L | 94 | Very high | 94.9 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -102.4 | -170.6 | -172.1 | 70 | 0 | 0 | 0 | 111.3 | K344 Q403 E429 L432 T614 M616 V626 | K344-L434 HydrophobicContact CD-CD1 4.19Å; K344-L434 WeakPolarHBondContact CE-O 3.35Å; K344-L434 PolarHBondContact NZ-O 3.26Å; Q403-L434 HydrophobicContact CB-CD2 4.26Å; Q403-L434 HydrophobicContact CG-CB 4.35Å; Q403-L434 HydrophobicContact CG-CD2 3.82Å; E429-L434 WeakPolarHBondContact O-CA 3.32Å; L432-L434 PolarHBondContact O-N 2.85Å; L434-T614 HydrophobicContact CD1-CG2 4.08Å; L434-T614 HydrophobicContact CD2-CG2 4.36Å; L434-T614 HydrophobicContact CG-CG2 4.22Å; L434-M616 HydrophobicContact CD1-CG 4.43Å; L434-M616 HydrophobicContact CD1-SD 3.42Å; L434-M616 WeakPolarHBondContact CD1-SD 3.41Å; L434-V626 HydrophobicContact CD2-CB 4.13Å; L434-V626 HydrophobicContact CD2-CG1 3.69Å |
| 435 | T | 95.5 | Very high | 94.9 | Very high | 20 Ų | 20 | 23 Ų | 23 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 10.3 | -178.7 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | Y340 K344 K346 H433 D437 T614 | Y340-T435 HydrophobicContact CD1-CG2 3.94Å; Y340-T435 HydrophobicContact CD2-CG2 4.34Å; Y340-T435 HydrophobicContact CE1-CG2 4.49Å; Y340-T435 HydrophobicContact CG-CG2 3.84Å; K344-T435 HydrophobicContact CD-CG2 4.3Å; K346-T435 HydrophobicContact CD-CG2 3.93Å; K346-T435 HydrophobicContact CG-CG2 4.28Å; H433-T435 PolarHBondContact O-N 3.16Å; T435-D437 PolarHBondContact OG1-OD1 3.44Å; T435-T614 HydrophobicContact CG2-CG2 3.75Å; T435-T614 PolarHBondContact OG1-OG1 3.12Å |
| 436 | G | 95.4 | Very high | 95 | Very high | 25 Ų | 25 | 24.9 Ų | 24.9 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 92.9 | 0.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | H433 I438 H439 A440 | H433-G436 PolarHBondContact O-N 2.96Å; G436-I438 PolarHBondContact O-N 2.88Å; G436-H439 WeakPolarHBondContact O-CA 3.18Å; G436-H439 WeakPolarHBondContact O-CB 3.36Å; G436-H439 PolarHBondContact O-N 2.89Å; G436-A440 PolarHBondContact O-N 3.39Å |
| 437 | D | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | -170.8 | -59.1 | -15.3 | 0 | 0 | 0 | 113.3 | K346 T435 H439 A440 V441 A610 | K346-D437 IonicContact NZ-OD1 3.91Å; K346-D437 PolarHBondContact NZ-OD1 3.06Å; K346-D437 IonicContact NZ-OD2 2.63Å; K346-D437 PolarHBondContact NZ-OD2 3.23Å; T435-D437 PolarHBondContact OG1-OD1 3.44Å; D437-H439 VanDerWaalsContact C-N 3.34Å; D437-H439 PolarHBondContact O-N 3.29Å; D437-A440 WeakPolarHBondContact O-CB 3.44Å; D437-A440 PolarHBondContact O-N 3Å; D437-V441 PolarHBondContact O-N 2.99Å; D437-V441 VanDerWaalsContact O-N 3.1Å; D437-A610 HydrophobicContact CB-CB 4Å; D437-A610 WeakPolarHBondContact OD1-CA 3.48Å |
| 438 | I | 96 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 176.2 | -60.4 | -178.9 | 0 | 0 | 0 | 111.4 | Q403 P404 G436 A440 V441 V442 D527 A556 M562 | Q403-I438 HydrophobicContact CG-CD1 3.98Å; Q403-I438 HydrophobicContact CG-CG1 4.4Å; P404-I438 WeakPolarHBondContact O-CD1 3.42Å; G436-I438 PolarHBondContact O-N 2.88Å; I438-A440 VanDerWaalsContact C-N 3.32Å; I438-A440 PolarHBondContact O-N 3.45Å; I438-V441 WeakPolarHBondContact O-CB 3.43Å; I438-V441 PolarHBondContact O-N 3.48Å; I438-V442 WeakPolarHBondContact O-CG2 3.36Å; I438-V442 PolarHBondContact O-N 3.1Å; I438-D527 HydrophobicContact CG2-CB 3.87Å; I438-D527 VanDerWaalsContact CG2-CG 3.43Å; I438-D527 WeakPolarHBondContact CG2-OD2 3.3Å; I438-A556 HydrophobicContact CG2-CB 3.52Å; I438-M562 HydrophobicContact CB-CE 4.46Å; I438-M562 HydrophobicContact CG1-CE 3.8Å; I438-M562 HydrophobicContact CG2-CE 4.48Å |
| 439 | H | 96.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 25 Ų | 25 | 32% | 0.324 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 175 | -62.9 | -67 | 0 | 0 | 0 | 111.3 | H433 G436 D437 V441 V442 A443 | H433-H439 AromaticContact CG-NE2 3.97Å; H433-H439 AromaticContact ND1-CD2 3.96Å; H433-H439 AromaticContact ND1-CE1 3.82Å; H433-H439 AromaticContact ND1-NE2 3.09Å; H433-H439 PolarHBondContact ND1-NE2 2.88Å; G436-H439 WeakPolarHBondContact O-CA 3.18Å; G436-H439 WeakPolarHBondContact O-CB 3.36Å; G436-H439 PolarHBondContact O-N 2.89Å; D437-H439 VanDerWaalsContact C-N 3.34Å; D437-H439 PolarHBondContact O-N 3.29Å; H439-V441 VanDerWaalsContact C-N 3.32Å; H439-V441 PolarHBondContact O-N 3.36Å; H439-V442 WeakPolarHBondContact O-CB 3.39Å; H439-V442 PolarHBondContact O-N 3.07Å; H439-A443 PolarHBondContact O-N 2.82Å |
| 440 | A | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 25 Ų | 25 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G436 D437 I438 A443 A444 L607 A610 | G436-A440 PolarHBondContact O-N 3.39Å; D437-A440 WeakPolarHBondContact O-CB 3.44Å; D437-A440 PolarHBondContact O-N 3Å; I438-A440 VanDerWaalsContact C-N 3.32Å; I438-A440 PolarHBondContact O-N 3.45Å; A440-A443 PolarHBondContact O-N 3.15Å; A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 3.15Å; A440-L607 HydrophobicContact CB-CD2 4.12Å; A440-A610 HydrophobicContact CB-CB 3.96Å |
| 441 | V | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 172.5 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | D437 I438 H439 A444 A445 A556 S559 L561 M562 L565 L607 | D437-V441 PolarHBondContact O-N 2.99Å; D437-V441 VanDerWaalsContact O-N 3.1Å; I438-V441 WeakPolarHBondContact O-CB 3.43Å; I438-V441 PolarHBondContact O-N 3.48Å; H439-V441 VanDerWaalsContact C-N 3.32Å; H439-V441 PolarHBondContact O-N 3.36Å; V441-A444 PolarHBondContact O-N 3.2Å; V441-A445 VanDerWaalsContact O-CB 3.29Å; V441-A445 WeakPolarHBondContact O-CB 3.18Å; V441-A445 PolarHBondContact O-N 3.46Å; V441-A556 HydrophobicContact CG1-CB 4.37Å; V441-S559 VanDerWaalsContact CG1-OG 3.28Å; V441-S559 WeakPolarHBondContact CG1-OG 3.34Å; V441-L561 HydrophobicContact CG1-CB 4.09Å; V441-M562 HydrophobicContact CB-CE 4.34Å; V441-M562 HydrophobicContact CG1-CE 4.43Å; V441-M562 HydrophobicContact CG2-CE 3.87Å; V441-L565 HydrophobicContact CG2-CD1 3.35Å; V441-L607 HydrophobicContact CG2-CD2 4.2Å |
| 442 | V | 97.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 15% | 0.145 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -50 | 175.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | I438 H439 A445 N446 V525 D527 A556 | I438-V442 WeakPolarHBondContact O-CG2 3.36Å; I438-V442 PolarHBondContact O-N 3.1Å; H439-V442 WeakPolarHBondContact O-CB 3.39Å; H439-V442 PolarHBondContact O-N 3.07Å; V442-A445 PolarHBondContact O-N 3.13Å; V442-N446 WeakPolarHBondContact O-CB 3.44Å; V442-N446 PolarHBondContact O-N 3.21Å; V442-N446 PolarHBondContact O-ND2 2.92Å; V442-N446 VanDerWaalsContact O-ND2 3.16Å; V442-V525 HydrophobicContact CG2-CG1 4.19Å; V442-D527 HydrophobicContact CG2-CB 4.21Å; V442-A556 HydrophobicContact CG2-CB 3.79Å |
| 443 | A | 98.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.4 | -47 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H439 A440 N446 L447 L606 | H439-A443 PolarHBondContact O-N 2.82Å; A440-A443 PolarHBondContact O-N 3.15Å; A443-N446 PolarHBondContact O-N 2.9Å; A443-L447 WeakPolarHBondContact O-CB 3.15Å; A443-L447 PolarHBondContact O-N 3.16Å; A443-L606 HydrophobicContact CB-CD1 4.43Å |
| 444 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A440 V441 L447 I448 L561 V603 L606 L607 | A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 3.15Å; V441-A444 PolarHBondContact O-N 3.2Å; A444-L447 PolarHBondContact O-N 3.09Å; A444-I448 PolarHBondContact O-N 3.42Å; A444-I448 VanDerWaalsContact O-N 3.16Å; A444-L561 HydrophobicContact CB-CD1 3.63Å; A444-V603 HydrophobicContact CB-CG1 4.12Å; A444-L606 HydrophobicContact CB-CB 4.29Å; A444-L606 HydrophobicContact CB-CD1 4.28Å; A444-L607 HydrophobicContact CB-CD1 4.38Å; A444-L607 HydrophobicContact CB-CD2 3.95Å; A444-L607 HydrophobicContact CB-CG 4.06Å |
| 445 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V441 V442 I448 G449 W522 V525 L561 | V441-A445 VanDerWaalsContact O-CB 3.29Å; V441-A445 WeakPolarHBondContact O-CB 3.18Å; V441-A445 PolarHBondContact O-N 3.46Å; V442-A445 PolarHBondContact O-N 3.13Å; A445-I448 PolarHBondContact O-N 2.74Å; A445-G449 PolarHBondContact O-N 3.19Å; A445-W522 HydrophobicContact CB-CZ2 4.03Å; A445-W522 PolarHBondContact O-NE1 2.81Å; A445-V525 HydrophobicContact CB-CB 3.69Å; A445-V525 HydrophobicContact CB-CG1 4.41Å; A445-V525 HydrophobicContact CB-CG2 3.53Å; A445-L561 HydrophobicContact CB-CD1 3.79Å |
| 446 | N | 98 | Very high | 97 | Very high | 38 Ų | 38 | 24.3 Ų | 24.3 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.3 | -27.2 | 178.3 | -69.8 | -34.1 | 0 | 0 | 0 | 112.2 | V442 A443 G449 A450 R524 V525 | V442-N446 WeakPolarHBondContact O-CB 3.44Å; V442-N446 PolarHBondContact O-N 3.21Å; V442-N446 PolarHBondContact O-ND2 2.92Å; V442-N446 VanDerWaalsContact O-ND2 3.16Å; A443-N446 PolarHBondContact O-N 2.9Å; N446-G449 PolarHBondContact O-N 3.45Å; N446-A450 WeakPolarHBondContact O-CB 3.49Å; N446-A450 PolarHBondContact O-N 3.36Å; N446-R524 PolarHBondContact O-NH1 3.12Å; N446-V525 PolarHBondContact ND2-O 3.44Å; N446-V525 PolarHBondContact OD1-N 3.16Å |
| 447 | L | 98.5 | Very high | 96.9 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 36% | 0.356 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 168.5 | 178.1 | 61.8 | 0 | 0 | 0 | 111.4 | A443 A444 A450 A451 V599 V603 L606 | A443-L447 WeakPolarHBondContact O-CB 3.15Å; A443-L447 PolarHBondContact O-N 3.16Å; A444-L447 PolarHBondContact O-N 3.09Å; L447-A450 PolarHBondContact O-N 2.87Å; L447-A451 WeakPolarHBondContact O-CB 3.06Å; L447-A451 PolarHBondContact O-N 3.33Å; L447-V599 HydrophobicContact CD1-CG2 4.48Å; L447-V599 HydrophobicContact CD2-CG2 4Å; L447-V599 HydrophobicContact CG-CG2 3.8Å; L447-V603 HydrophobicContact CD2-CG2 4.5Å; L447-L606 HydrophobicContact CB-CD1 4.34Å; L447-L606 HydrophobicContact CD2-CD1 3.74Å |
| 448 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 175 | -65.8 | 167.6 | 0 | 0 | 0 | 110.2 | A444 A445 A450 A451 I452 W522 L561 V583 T594 L597 V599 V603 | A444-I448 PolarHBondContact O-N 3.42Å; A444-I448 VanDerWaalsContact O-N 3.16Å; A445-I448 PolarHBondContact O-N 2.74Å; I448-A450 VanDerWaalsContact C-N 3.29Å; I448-A450 PolarHBondContact O-N 3.24Å; I448-A451 WeakPolarHBondContact O-CB 3.32Å; I448-A451 PolarHBondContact O-N 3.01Å; I448-A451 VanDerWaalsContact O-N 3.15Å; I448-I452 HydrophobicContact CG2-CD1 4.04Å; I448-I452 WeakPolarHBondContact O-CG1 3.49Å; I448-I452 PolarHBondContact O-N 2.98Å; I448-W522 HydrophobicContact CB-CZ2 3.82Å; I448-W522 HydrophobicContact CD1-CH2 3.67Å; I448-W522 HydrophobicContact CD1-CZ2 3.54Å; I448-W522 HydrophobicContact CG1-CZ2 4.27Å; I448-W522 HydrophobicContact CG2-CD2 3.77Å; I448-W522 VanDerWaalsContact CG2-CE2 3.49Å; I448-W522 HydrophobicContact CG2-CE3 4.37Å; I448-W522 HydrophobicContact CG2-CG 4.09Å; I448-W522 HydrophobicContact CG2-CH2 4.44Å; I448-W522 HydrophobicContact CG2-CZ2 3.88Å; I448-L561 HydrophobicContact CD1-CD1 4.25Å; I448-L561 HydrophobicContact CD1-CD2 4.12Å; I448-V583 HydrophobicContact CG2-CG1 3.78Å; I448-T594 HydrophobicContact CD1-CG2 3.9Å; I448-T594 HydrophobicContact CG1-CG2 4.21Å; I448-T594 HydrophobicContact CG2-CG2 4.17Å; I448-L597 HydrophobicContact CG2-CD1 4.49Å; I448-V599 HydrophobicContact CG1-CG1 4.03Å; I448-V603 HydrophobicContact CD1-CG1 4.31Å; I448-V603 HydrophobicContact CD1-CG2 3.85Å; I448-V603 HydrophobicContact CG1-CG2 3.55Å |
| 449 | G | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A445 N446 I452 D453 R524 | A445-G449 PolarHBondContact O-N 3.19Å; N446-G449 PolarHBondContact O-N 3.45Å; G449-I452 PolarHBondContact O-N 3.05Å; G449-D453 PolarHBondContact O-N 3.45Å; G449-R524 PolarHBondContact O-NH2 3.05Å |
| 450 | A | 96.7 | Very high | 96.7 | Very high | 45 Ų | 45 | 30 Ų | 30 | 37% | 0.372 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N446 L447 I448 I452 D453 A454 R524 | N446-A450 WeakPolarHBondContact O-CB 3.49Å; N446-A450 PolarHBondContact O-N 3.36Å; L447-A450 PolarHBondContact O-N 2.87Å; I448-A450 VanDerWaalsContact C-N 3.29Å; I448-A450 PolarHBondContact O-N 3.24Å; A450-I452 VanDerWaalsContact C-N 3.34Å; A450-I452 PolarHBondContact O-N 3.38Å; A450-D453 PolarHBondContact O-N 3.19Å; A450-A454 WeakPolarHBondContact O-CB 3.39Å; A450-A454 PolarHBondContact O-N 2.92Å; A450-R524 VanDerWaalsContact N-CZ 3.35Å |
| 451 | A | 97.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 21% | 0.207 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L447 I448 R455 L597 V599 | L447-A451 WeakPolarHBondContact O-CB 3.06Å; L447-A451 PolarHBondContact O-N 3.33Å; I448-A451 WeakPolarHBondContact O-CB 3.32Å; I448-A451 PolarHBondContact O-N 3.01Å; I448-A451 VanDerWaalsContact O-N 3.15Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 2.9Å; A451-L597 HydrophobicContact CB-CD1 4.5Å; A451-V599 HydrophobicContact CB-CB 4.25Å; A451-V599 HydrophobicContact CB-CG2 4.08Å |
| 452 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -55.5 | 175.4 | -64.9 | 162.2 | 0 | 0 | 0 | 110.3 | I448 G449 A450 A454 R455 V456 I520 W522 V583 L597 | I448-I452 HydrophobicContact CG2-CD1 4.04Å; I448-I452 WeakPolarHBondContact O-CG1 3.49Å; I448-I452 PolarHBondContact O-N 2.98Å; G449-I452 PolarHBondContact O-N 3.05Å; A450-I452 VanDerWaalsContact C-N 3.34Å; A450-I452 PolarHBondContact O-N 3.38Å; I452-A454 PolarHBondContact O-N 2.92Å; I452-R455 WeakPolarHBondContact O-CB 3.32Å; I452-R455 PolarHBondContact O-N 3.34Å; I452-R455 VanDerWaalsContact O-N 3.14Å; I452-V456 WeakPolarHBondContact O-CG2 3.47Å; I452-V456 PolarHBondContact O-N 2.99Å; I452-I520 HydrophobicContact CG2-CD1 3.76Å; I452-I520 HydrophobicContact CG2-CG1 4.13Å; I452-I520 HydrophobicContact CG2-CG2 4.19Å; I452-W522 HydrophobicContact CD1-CB 3.42Å; I452-W522 VanDerWaalsContact CD1-CB 3.42Å; I452-W522 HydrophobicContact CD1-CG 3.65Å; I452-V583 HydrophobicContact CD1-CB 3.76Å; I452-V583 HydrophobicContact CD1-CG1 4.16Å; I452-V583 HydrophobicContact CD1-CG2 4.33Å; I452-V583 HydrophobicContact CG1-CB 4.28Å; I452-V583 HydrophobicContact CG1-CG2 4.31Å; I452-L597 HydrophobicContact CG1-CD1 3.65Å; I452-L597 HydrophobicContact CG1-CD2 4.49Å |
| 453 | D | 95.2 | Very high | 96.3 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | -174.7 | -64 | -37.6 | 0 | 0 | 0 | 111.1 | G449 A450 R455 V456 F457 R524 I538 R549 | G449-D453 PolarHBondContact O-N 3.45Å; A450-D453 PolarHBondContact O-N 3.19Å; D453-R455 VanDerWaalsContact C-N 3.31Å; D453-R455 PolarHBondContact O-N 3.28Å; D453-V456 PolarHBondContact O-N 2.84Å; D453-F457 WeakPolarHBondContact O-CB 3.44Å; D453-F457 PolarHBondContact O-N 3.28Å; D453-R524 IonicContact OD2-CZ 3.21Å; D453-R524 IonicContact OD2-NE 3.2Å; D453-R524 IonicContact OD2-NH2 2.7Å; D453-R524 PolarHBondContact OD2-NH2 2.75Å; D453-I538 VanDerWaalsContact OD2-CD1 3.32Å; D453-I538 WeakPolarHBondContact OD2-CD1 3.42Å; D453-R549 IonicContact OD1-CZ 2.8Å; D453-R549 IonicContact OD1-NE 3.16Å; D453-R549 PolarHBondContact OD1-NE 3.46Å; D453-R549 IonicContact OD1-NH2 3.57Å; D453-R549 PolarHBondContact OD1-NH2 3.24Å; D453-R549 IonicContact OD2-NH2 2.67Å |
| 454 | A | 95 | Very high | 96.2 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A450 I452 F457 H458 | A450-A454 WeakPolarHBondContact O-CB 3.39Å; A450-A454 PolarHBondContact O-N 2.92Å; I452-A454 PolarHBondContact O-N 2.92Å; A454-F457 PolarHBondContact O-N 3.48Å; A454-H458 WeakPolarHBondContact O-CB 3.3Å; A454-H458 PolarHBondContact O-CD2 3.34Å; A454-H458 VanDerWaalsContact O-CG 3.27Å; A454-H458 PolarHBondContact O-N 3.15Å |
| 455 | R | 95.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 178 | -173.8 | 60.6 | 176 | -103.5 | 4.1 | 111.4 | A451 I452 D453 F457 H458 E459 V511 L513 I515 L597 | A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 2.9Å; I452-R455 WeakPolarHBondContact O-CB 3.32Å; I452-R455 PolarHBondContact O-N 3.34Å; I452-R455 VanDerWaalsContact O-N 3.14Å; D453-R455 VanDerWaalsContact C-N 3.31Å; D453-R455 PolarHBondContact O-N 3.28Å; R455-F457 VanDerWaalsContact C-N 3.33Å; R455-F457 PolarHBondContact O-N 3.33Å; R455-H458 PolarHBondContact O-N 3.41Å; R455-E459 IonicContact CZ-OE1 2.75Å; R455-E459 IonicContact NE-OE1 3.94Å; R455-E459 PolarHBondContact NE-OE1 3.4Å; R455-E459 IonicContact NH2-OE1 2.58Å; R455-E459 PolarHBondContact NH2-OE1 3.47Å; R455-E459 WeakPolarHBondContact O-CB 3.33Å; R455-E459 WeakPolarHBondContact O-CG 3.34Å; R455-E459 PolarHBondContact O-N 3.42Å; R455-V511 VanDerWaalsContact NH2-C 3.31Å; R455-V511 PolarHBondContact NH2-O 3.37Å; R455-L513 HydrophobicContact CG-CD1 4.1Å; R455-I515 HydrophobicContact CG-CD1 4.39Å; R455-L597 HydrophobicContact CB-CD2 4.1Å; R455-L597 HydrophobicContact CG-CD2 4.23Å |
| 456 | V | 95 | Very high | 96 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I452 D453 S460 I515 P517 I520 M547 | I452-V456 WeakPolarHBondContact O-CG2 3.47Å; I452-V456 PolarHBondContact O-N 2.99Å; D453-V456 PolarHBondContact O-N 2.84Å; V456-S460 WeakPolarHBondContact O-CB 3.29Å; V456-S460 PolarHBondContact O-N 3.42Å; V456-S460 PolarHBondContact O-OG 2.94Å; V456-I515 HydrophobicContact CG2-CB 4.01Å; V456-I515 HydrophobicContact CG2-CD1 4.24Å; V456-I515 HydrophobicContact CG2-CG2 3.91Å; V456-P517 HydrophobicContact CG1-CG 4.44Å; V456-I520 HydrophobicContact CG2-CD1 4.48Å; V456-M547 HydrophobicContact CG1-CE 4.12Å |
| 457 | F | 94.4 | Very high | 96 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 25% | 0.25 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -54.1 | 176.9 | 178.6 | -98.3 | 0 | 0 | 0 | 112.6 | D453 A454 R455 E459 S460 T461 E544 M547 | D453-F457 WeakPolarHBondContact O-CB 3.44Å; D453-F457 PolarHBondContact O-N 3.28Å; A454-F457 PolarHBondContact O-N 3.48Å; R455-F457 VanDerWaalsContact C-N 3.33Å; R455-F457 PolarHBondContact O-N 3.33Å; F457-E459 PolarHBondContact O-N 3.02Å; F457-S460 PolarHBondContact O-N 3.14Å; F457-S460 PolarHBondContact O-OG 3.46Å; F457-T461 HydrophobicContact CD2-CG2 4.46Å; F457-T461 HydrophobicContact CE2-CG2 4.09Å; F457-T461 HydrophobicContact CZ-CG2 4.13Å; F457-T461 PolarHBondContact O-N 3.2Å; F457-T461 PolarHBondContact O-OG1 3.1Å; F457-E544 HydrophobicContact CD2-CG 4.4Å; F457-E544 HydrophobicContact CE2-CG 4.41Å; F457-M547 HydrophobicContact CB-CE 4.28Å; F457-M547 HydrophobicContact CD2-CE 4.22Å; F457-M547 HydrophobicContact CD2-SD 3.58Å; F457-M547 VanDerWaalsContact CD2-SD 3.58Å; F457-M547 HydrophobicContact CE2-SD 4.16Å |
| 458 | H | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.4 | -36.5 | -176.9 | -68.8 | -37.5 | 0 | 0 | 0 | 113.1 | A454 R455 T461 Q462 L467 | A454-H458 WeakPolarHBondContact O-CB 3.3Å; A454-H458 PolarHBondContact O-CD2 3.34Å; A454-H458 VanDerWaalsContact O-CG 3.27Å; A454-H458 PolarHBondContact O-N 3.15Å; R455-H458 PolarHBondContact O-N 3.41Å; H458-T461 PolarHBondContact O-N 3.39Å; H458-T461 PolarHBondContact O-OG1 3.34Å; H458-Q462 PolarHBondContact ND1-NE2 3.05Å; H458-Q462 VanDerWaalsContact ND1-NE2 3.18Å; H458-Q462 VanDerWaalsContact O-CB 3.32Å; H458-Q462 WeakPolarHBondContact O-CB 3.44Å; H458-Q462 WeakPolarHBondContact O-CG 3.27Å; H458-Q462 PolarHBondContact O-N 2.86Å; H458-L467 HydrophobicContact CB-CD2 4.2Å |
| 459 | E | 95.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 173.2 | -75 | -171.6 | -159 | 0 | 0 | 111 | R455 F457 T461 L467 R512 L513 D514 | R455-E459 IonicContact CZ-OE1 2.75Å; R455-E459 IonicContact NE-OE1 3.94Å; R455-E459 PolarHBondContact NE-OE1 3.4Å; R455-E459 IonicContact NH2-OE1 2.58Å; R455-E459 PolarHBondContact NH2-OE1 3.47Å; R455-E459 WeakPolarHBondContact O-CB 3.33Å; R455-E459 WeakPolarHBondContact O-CG 3.34Å; R455-E459 PolarHBondContact O-N 3.42Å; F457-E459 PolarHBondContact O-N 3.02Å; E459-T461 PolarHBondContact O-N 3.35Å; E459-L467 HydrophobicContact CG-CD1 4.18Å; E459-R512 PolarHBondContact O-NH1 3.46Å; E459-L513 PolarHBondContact OE1-N 2.96Å; E459-L513 PolarHBondContact OE2-N 3.4Å; E459-D514 PolarHBondContact OE2-N 2.98Å |
| 460 | S | 92.6 | Very high | 95.7 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 53% | 0.531 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -23.6 | -179.2 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | V456 F457 M547 | V456-S460 WeakPolarHBondContact O-CB 3.29Å; V456-S460 PolarHBondContact O-N 3.42Å; V456-S460 PolarHBondContact O-OG 2.94Å; F457-S460 PolarHBondContact O-N 3.14Å; F457-S460 PolarHBondContact O-OG 3.46Å; S460-M547 WeakPolarHBondContact OG-CE 3.32Å; S460-M547 PolarHBondContact OG-SD 3.24Å; S460-M547 VanDerWaalsContact OG-SD 3.4Å |
| 461 | T | 92.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -107.7 | -6.5 | -169 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | F457 H458 E459 | F457-T461 HydrophobicContact CD2-CG2 4.46Å; F457-T461 HydrophobicContact CE2-CG2 4.09Å; F457-T461 HydrophobicContact CZ-CG2 4.13Å; F457-T461 PolarHBondContact O-N 3.2Å; F457-T461 PolarHBondContact O-OG1 3.1Å; H458-T461 PolarHBondContact O-N 3.39Å; H458-T461 PolarHBondContact O-OG1 3.34Å; E459-T461 PolarHBondContact O-N 3.35Å |
| 462 | Q | 95.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -132.9 | 151.7 | -169.9 | -59.7 | 173.3 | 41.9 | 0 | 0 | 112.2 | H458 A466 L467 R512 | H458-Q462 PolarHBondContact ND1-NE2 3.05Å; H458-Q462 VanDerWaalsContact ND1-NE2 3.18Å; H458-Q462 VanDerWaalsContact O-CB 3.32Å; H458-Q462 WeakPolarHBondContact O-CB 3.44Å; H458-Q462 WeakPolarHBondContact O-CG 3.27Å; H458-Q462 PolarHBondContact O-N 2.86Å; Q462-A466 HydrophobicContact CB-CB 4.24Å; Q462-L467 HydrophobicContact CB-CD2 4.09Å; Q462-L467 HydrophobicContact CB-CG 3.99Å; Q462-R512 PolarHBondContact O-NH2 3.33Å |
| 463 | S | 97 | Very high | 95.3 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | trans | -75.1 | 163.3 | 170.5 | 86.9 | 0 | 0 | 0 | 0 | 111.7 | E465 A466 L467 | S463-E465 VanDerWaalsContact C-N 3.27Å; S463-E465 WeakPolarHBondContact CB-OE2 3.48Å; S463-E465 PolarHBondContact O-N 2.57Å; S463-E465 PolarHBondContact OG-N 3.18Å; S463-E465 PolarHBondContact OG-OE2 3.37Å; S463-A466 PolarHBondContact O-N 3.06Å; S463-A466 VanDerWaalsContact O-N 3.13Å; S463-A466 PolarHBondContact OG-N 3.02Å; S463-L467 WeakPolarHBondContact O-CG 3.44Å; S463-L467 PolarHBondContact O-N 3.17Å | ||
| 464 | D | 97.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 178.9 | -67.8 | 6 | 0 | 0 | 0 | 111.5 | A466 L467 Y468 S508 V511 R512 | D464-A466 VanDerWaalsContact C-N 3.35Å; D464-A466 PolarHBondContact O-N 3.22Å; D464-L467 PolarHBondContact O-N 2.77Å; D464-Y468 VanDerWaalsContact O-CB 3.26Å; D464-Y468 WeakPolarHBondContact O-CB 3.38Å; D464-Y468 PolarHBondContact O-N 3.44Å; D464-S508 WeakPolarHBondContact OD2-CA 3.35Å; D464-S508 WeakPolarHBondContact OD2-CB 3.23Å; D464-S508 PolarHBondContact OD2-OG 3.43Å; D464-V511 HydrophobicContact CB-CG2 4.09Å; D464-R512 IonicContact OD1-CZ 3.8Å; D464-R512 IonicContact OD1-NE 3.1Å; D464-R512 PolarHBondContact OD1-NE 2.94Å; D464-R512 IonicContact OD1-NH2 3.92Å; D464-R512 PolarHBondContact OD1-NH2 3.39Å |
| 465 | E | 95.5 | Very high | 95 | Very high | 103 Ų | 103 | 65.3 Ų | 65.3 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176 | -59.3 | 78.5 | -171.9 | 0 | 0 | 111.8 | S463 R469 | S463-E465 VanDerWaalsContact C-N 3.27Å; S463-E465 WeakPolarHBondContact CB-OE2 3.48Å; S463-E465 PolarHBondContact O-N 2.57Å; S463-E465 PolarHBondContact OG-N 3.18Å; S463-E465 PolarHBondContact OG-OE2 3.37Å; E465-R469 WeakPolarHBondContact O-CB 3.47Å; E465-R469 VanDerWaalsContact O-CG 3.22Å; E465-R469 WeakPolarHBondContact O-CG 3.47Å; E465-R469 PolarHBondContact O-N 3.23Å |
| 466 | A | 96.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 72.1 Ų | 72.1 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q462 S463 D464 R469 R470 | Q462-A466 HydrophobicContact CB-CB 4.24Å; S463-A466 PolarHBondContact O-N 3.06Å; S463-A466 VanDerWaalsContact O-N 3.13Å; S463-A466 PolarHBondContact OG-N 3.02Å; D464-A466 VanDerWaalsContact C-N 3.35Å; D464-A466 PolarHBondContact O-N 3.22Å; A466-R469 PolarHBondContact O-N 3.03Å; A466-R470 PolarHBondContact O-N 2.97Å |
| 467 | L | 97.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.9 | -70.2 | 169.5 | 0 | 0 | 0 | 110.9 | H458 E459 Q462 S463 D464 R469 R470 L471 V511 | H458-L467 HydrophobicContact CB-CD2 4.2Å; E459-L467 HydrophobicContact CG-CD1 4.18Å; Q462-L467 HydrophobicContact CB-CD2 4.09Å; Q462-L467 HydrophobicContact CB-CG 3.99Å; S463-L467 WeakPolarHBondContact O-CG 3.44Å; S463-L467 PolarHBondContact O-N 3.17Å; D464-L467 PolarHBondContact O-N 2.77Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 PolarHBondContact O-N 3.44Å; L467-R470 PolarHBondContact O-N 3.36Å; L467-R470 VanDerWaalsContact O-N 3.15Å; L467-L471 WeakPolarHBondContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 2.76Å; L467-V511 HydrophobicContact CB-CB 3.95Å; L467-V511 HydrophobicContact CB-CG2 4.06Å; L467-V511 HydrophobicContact CD1-CG2 4.23Å |
| 468 | Y | 96.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 8% | 0.078 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 178.4 | -171.3 | -115.4 | 0 | 0 | 0 | 112.4 | D464 R470 V472 R479 F481 P499 L502 I507 F510 V511 | D464-Y468 VanDerWaalsContact O-CB 3.26Å; D464-Y468 WeakPolarHBondContact O-CB 3.38Å; D464-Y468 PolarHBondContact O-N 3.44Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 2.66Å; Y468-V472 HydrophobicContact CD2-CG2 4.07Å; Y468-V472 HydrophobicContact CE2-CB 4.38Å; Y468-V472 HydrophobicContact CE2-CG2 3.72Å; Y468-V472 PolarHBondContact O-N 2.69Å; Y468-R479 PolarHBondContact O-NH1 2.62Å; Y468-F481 HydrophobicContact CE2-CE1 4.42Å; Y468-P499 VanDerWaalsContact OH-C 3.28Å; Y468-P499 VanDerWaalsContact OH-CA 3.28Å; Y468-P499 WeakPolarHBondContact OH-CA 3.38Å; Y468-P499 VanDerWaalsContact OH-CB 3.24Å; Y468-P499 WeakPolarHBondContact OH-CB 3.46Å; Y468-P499 PolarHBondContact OH-O 2.89Å; Y468-L502 HydrophobicContact CE2-CD1 3.95Å; Y468-I507 HydrophobicContact CD1-CD1 4.18Å; Y468-I507 HydrophobicContact CD1-CG2 4.43Å; Y468-I507 HydrophobicContact CD2-CG1 4.21Å; Y468-I507 HydrophobicContact CD2-CG2 3.83Å; Y468-I507 HydrophobicContact CE1-CD1 4.08Å; Y468-I507 HydrophobicContact CE1-CG1 4.42Å; Y468-I507 HydrophobicContact CE2-CG1 4.12Å; Y468-I507 HydrophobicContact CG-CD1 4.49Å; Y468-I507 HydrophobicContact CG-CG1 4.42Å; Y468-I507 HydrophobicContact CG-CG2 3.76Å; Y468-F510 HydrophobicContact CD2-CD1 4.17Å; Y468-F510 HydrophobicContact CD2-CE1 4.29Å; Y468-F510 HydrophobicContact CE2-CD1 4.16Å; Y468-F510 HydrophobicContact CE2-CE1 4.19Å; Y468-V511 HydrophobicContact CD2-CG1 3.75Å; Y468-V511 HydrophobicContact CG-CG1 4.31Å |
| 469 | R | 95.1 | Very high | 94.1 | Very high | 171 Ų | 171 | 72.7 Ų | 72.7 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -35.6 | 177.2 | -77.1 | 174.3 | -175.5 | -178.9 | 4.3 | 112.8 | E465 A466 L467 P473 | E465-R469 WeakPolarHBondContact O-CB 3.47Å; E465-R469 VanDerWaalsContact O-CG 3.22Å; E465-R469 WeakPolarHBondContact O-CG 3.47Å; E465-R469 PolarHBondContact O-N 3.23Å; A466-R469 PolarHBondContact O-N 3.03Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 PolarHBondContact O-N 3.44Å; R469-P473 WeakPolarHBondContact O-CA 3.29Å |
| 470 | R | 95.3 | Very high | 94.1 | Very high | 168 Ų | 168 | 77 Ų | 77 | 63% | 0.634 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -82.3 | -39.9 | 179.9 | -72.1 | 175.2 | 168.3 | 126.4 | -2.5 | 113 | A466 L467 Y468 | A466-R470 PolarHBondContact O-N 2.97Å; L467-R470 PolarHBondContact O-N 3.36Å; L467-R470 VanDerWaalsContact O-N 3.15Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 2.66Å |
| 471 | L | 94.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 31% | 0.314 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 178.1 | -73.9 | 171.2 | 0 | 0 | 0 | 112.2 | L467 P473 Q485 V511 | L467-L471 WeakPolarHBondContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 2.76Å; L471-P473 VanDerWaalsContact C-CD 3.49Å; L471-P473 WeakPolarHBondContact O-CD 3.34Å; L471-Q485 PolarHBondContact O-NE2 3.07Å; L471-V511 HydrophobicContact CD1-CB 3.89Å; L471-V511 HydrophobicContact CD1-CG1 3.9Å |
| 472 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -122.9 | 70 | -179.6 | -163.5 | 0 | 0 | 0 | 0 | 108.8 | Y468 R479 F481 P499 F510 | Y468-V472 HydrophobicContact CD2-CG2 4.07Å; Y468-V472 HydrophobicContact CE2-CB 4.38Å; Y468-V472 HydrophobicContact CE2-CG2 3.72Å; Y468-V472 PolarHBondContact O-N 2.69Å; V472-R479 HydrophobicContact CG1-CB 3.84Å; V472-R479 HydrophobicContact CG1-CG 4.25Å; V472-R479 PolarHBondContact O-NH1 2.71Å; V472-R479 PolarHBondContact O-NH2 2.96Å; V472-F481 HydrophobicContact CG1-CD1 4.29Å; V472-F481 HydrophobicContact CG1-CE1 4.27Å; V472-F481 HydrophobicContact CG2-CD1 3.99Å; V472-F481 HydrophobicContact CG2-CE1 3.68Å; V472-P499 HydrophobicContact CG1-CB 4.11Å; V472-P499 HydrophobicContact CG1-CG 3.9Å; V472-F510 HydrophobicContact CG2-CE1 3.91Å; V472-F510 HydrophobicContact CG2-CZ 4.43Å |
| 473 | P | 94.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 75.9 Ų | 75.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -63.7 | 147.9 | -173.9 | 28 | -35.3 | 0 | 0 | 0 | 111.6 | R469 L471 K475 | R469-P473 WeakPolarHBondContact O-CA 3.29Å; L471-P473 VanDerWaalsContact C-CD 3.49Å; L471-P473 WeakPolarHBondContact O-CD 3.34Å; P473-K475 HydrophobicContact CG-CG 4.47Å; P473-K475 PolarHBondContact O-N 3.48Å | ||
| 474 | L | 92.9 | Very high | 94 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 59% | 0.592 | 40% | 0.398 | S | S | * | . | trans | -75.7 | 111.2 | 171.5 | -170.7 | 75 | 0 | 0 | 0 | 108.4 | R479 | L474-R479 HydrophobicContact CD1-CG 3.99Š| ||
| 475 | K | 89.6 | Confident | 93.9 | Very high | 150 Ų | 150 | 74 Ų | 74 | 65% | 0.652 | 40% | 0.395 | S | S | * | . | B | Isolated β-bridge | trans | -118.1 | 124.9 | 177 | -68.2 | -175.3 | 177.1 | -178.7 | 0 | 108.9 | P473 G477 A478 | P473-K475 HydrophobicContact CG-CG 4.47Å; P473-K475 PolarHBondContact O-N 3.48Å; K475-G477 PolarHBondContact O-N 3.21Å; K475-A478 PolarHBondContact N-O 2.76Å; K475-A478 PolarHBondContact O-N 3.42Å |
| 476 | N | 90.2 | Very high | 93.9 | Very high | 176 Ų | 176 | 70.9 Ų | 70.9 | 94% | 0.941 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.8 | -178.3 | -57.7 | -22.7 | 0 | 0 | 0 | 113.3 | A478 | N476-A478 VanDerWaalsContact C-N 3.27Å; N476-A478 PolarHBondContact O-N 2.74Å |
| 477 | G | 89.3 | Confident | 93.7 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -1.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | K475 | K475-G477 PolarHBondContact O-N 3.21Š|
| 478 | A | 89.5 | Confident | 93.5 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 147.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K475 N476 | K475-A478 PolarHBondContact N-O 2.76Å; K475-A478 PolarHBondContact O-N 3.42Å; N476-A478 VanDerWaalsContact C-N 3.27Å; N476-A478 PolarHBondContact O-N 2.74Å |
| 479 | R | 93.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 72 Ų | 72 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | trans | -100.2 | 134.9 | 166.2 | -75.1 | -179.8 | 176.4 | -100.2 | -27.7 | 107.4 | Y468 V472 L474 P499 | Y468-R479 PolarHBondContact O-NH1 2.62Å; V472-R479 HydrophobicContact CG1-CB 3.84Å; V472-R479 HydrophobicContact CG1-CG 4.25Å; V472-R479 PolarHBondContact O-NH1 2.71Å; V472-R479 PolarHBondContact O-NH2 2.96Å; L474-R479 HydrophobicContact CD1-CG 3.99Å; R479-P499 HydrophobicContact CB-CB 3.67Å; R479-P499 HydrophobicContact CB-CG 3.78Å; R479-P499 WeakPolarHBondContact O-CG 3.3Å | ||
| 480 | T | 94.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 70.7 Ų | 70.7 | 64% | 0.638 | 38% | 0.381 | S | S | * | . | trans | -135.2 | 143.8 | 174.5 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 481 | F | 94.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | trans | -81.4 | 140.7 | 170.1 | -65.1 | -60 | 0 | 0 | 0 | 110.4 | Y468 V472 Q485 I486 L489 E497 P499 L502 F510 | Y468-F481 HydrophobicContact CE2-CE1 4.42Å; V472-F481 HydrophobicContact CG1-CD1 4.29Å; V472-F481 HydrophobicContact CG1-CE1 4.27Å; V472-F481 HydrophobicContact CG2-CD1 3.99Å; V472-F481 HydrophobicContact CG2-CE1 3.68Å; F481-Q485 HydrophobicContact CB-CB 4.16Å; F481-Q485 HydrophobicContact CD1-CB 4.08Å; F481-Q485 HydrophobicContact CG-CB 4.49Å; F481-I486 HydrophobicContact CB-CD1 4.31Å; F481-I486 HydrophobicContact CB-CG1 3.73Å; F481-L489 HydrophobicContact CD1-CD1 4.39Å; F481-L489 HydrophobicContact CD2-CD1 3.9Å; F481-L489 HydrophobicContact CE1-CD1 4.21Å; F481-L489 HydrophobicContact CE2-CD1 3.71Å; F481-L489 HydrophobicContact CG-CD1 4.26Å; F481-L489 HydrophobicContact CZ-CD1 3.89Å; F481-E497 WeakPolarHBondContact CD2-O 3.4Å; F481-P499 HydrophobicContact CD1-CG 4.33Å; F481-P499 HydrophobicContact CD2-CG 3.85Å; F481-P499 HydrophobicContact CE1-CB 4.43Å; F481-P499 HydrophobicContact CE1-CG 4.13Å; F481-P499 HydrophobicContact CE2-CB 4.12Å; F481-P499 HydrophobicContact CE2-CG 3.61Å; F481-P499 HydrophobicContact CG-CG 4.18Å; F481-P499 HydrophobicContact CZ-CB 3.9Å; F481-P499 HydrophobicContact CZ-CG 3.74Å; F481-L502 HydrophobicContact CE1-CD1 4.26Å; F481-L502 HydrophobicContact CE2-CD1 4.45Å; F481-L502 HydrophobicContact CZ-CD1 3.54Å; F481-L502 HydrophobicContact CZ-CG 4.22Å; F481-F510 HydrophobicContact CD1-CZ 4.14Å; F481-F510 AromaticContact CE1-CE1 3.96Å; F481-F510 HydrophobicContact CE1-CE1 3.96Å; F481-F510 AromaticContact CE1-CZ 3.93Å; F481-F510 HydrophobicContact CE1-CZ 3.93Å | ||
| 482 | S | 94 | Very high | 93.4 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | trans | -73.2 | 161.2 | 162.1 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | I484 Q485 I486 | S482-I484 VanDerWaalsContact C-N 3.26Å; S482-I484 PolarHBondContact O-N 3.23Å; S482-Q485 WeakPolarHBondContact O-CB 3.23Å; S482-Q485 PolarHBondContact O-N 3.4Å; S482-Q485 VanDerWaalsContact O-N 3.08Å; S482-Q485 VanDerWaalsContact OG-CD 3.26Å; S482-Q485 VanDerWaalsContact OG-CG 3.29Å; S482-Q485 WeakPolarHBondContact OG-CG 3.42Å; S482-Q485 PolarHBondContact OG-OE1 3.22Å; S482-I486 PolarHBondContact O-N 3.37Å | ||
| 483 | S | 92.6 | Very high | 93.4 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.6 | -37.5 | 179.5 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | I486 S487 | S483-I486 PolarHBondContact O-N 3Å; S483-S487 PolarHBondContact O-N 3.07Å; S483-S487 PolarHBondContact O-OG 3.46Å |
| 484 | I | 94.5 | Very high | 93.4 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71 | -32.3 | 178.5 | -162.5 | 156.6 | 0 | 0 | 0 | 112.5 | S482 S487 R488 | S482-I484 VanDerWaalsContact C-N 3.26Å; S482-I484 PolarHBondContact O-N 3.23Å; I484-S487 WeakPolarHBondContact O-CB 3.41Å; I484-S487 PolarHBondContact O-N 3.44Å; I484-R488 PolarHBondContact O-N 2.99Å |
| 485 | Q | 95.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69 | -38.2 | 173.3 | -71.8 | 169.6 | -41.6 | 0 | 0 | 111.3 | L471 F481 S482 S487 R488 L489 F510 | L471-Q485 PolarHBondContact O-NE2 3.07Å; F481-Q485 HydrophobicContact CB-CB 4.16Å; F481-Q485 HydrophobicContact CD1-CB 4.08Å; F481-Q485 HydrophobicContact CG-CB 4.49Å; S482-Q485 WeakPolarHBondContact O-CB 3.23Å; S482-Q485 PolarHBondContact O-N 3.4Å; S482-Q485 VanDerWaalsContact O-N 3.08Å; S482-Q485 VanDerWaalsContact OG-CD 3.26Å; S482-Q485 VanDerWaalsContact OG-CG 3.29Å; S482-Q485 WeakPolarHBondContact OG-CG 3.42Å; S482-Q485 PolarHBondContact OG-OE1 3.22Å; Q485-S487 VanDerWaalsContact C-N 3.35Å; Q485-R488 WeakPolarHBondContact O-CB 3.45Å; Q485-R488 PolarHBondContact O-N 3.3Å; Q485-L489 WeakPolarHBondContact O-CG 3.42Å; Q485-L489 PolarHBondContact O-N 3.46Å; Q485-F510 HydrophobicContact CB-CE2 3.92Å; Q485-F510 HydrophobicContact CB-CZ 3.82Å; Q485-F510 HydrophobicContact CG-CE2 4.22Å; Q485-F510 HydrophobicContact CG-CZ 3.82Å |
| 486 | I | 94.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 172 | -64.3 | 171.3 | 0 | 0 | 0 | 110.4 | F481 S482 S483 R488 L489 R490 | F481-I486 HydrophobicContact CB-CD1 4.31Å; F481-I486 HydrophobicContact CB-CG1 3.73Å; S482-I486 PolarHBondContact O-N 3.37Å; S483-I486 PolarHBondContact O-N 3Å; I486-R488 VanDerWaalsContact C-N 3.3Å; I486-R488 PolarHBondContact O-N 2.95Å; I486-L489 PolarHBondContact O-N 3.24Å; I486-R490 WeakPolarHBondContact O-CG 3.41Å; I486-R490 PolarHBondContact O-N 2.76Å |
| 487 | S | 92.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 174.4 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | S483 I484 Q485 R490 K491 | S483-S487 PolarHBondContact O-N 3.07Å; S483-S487 PolarHBondContact O-OG 3.46Å; I484-S487 WeakPolarHBondContact O-CB 3.41Å; I484-S487 PolarHBondContact O-N 3.44Å; Q485-S487 VanDerWaalsContact C-N 3.35Å; S487-R490 PolarHBondContact O-N 3.08Å; S487-K491 PolarHBondContact O-N 3.27Å |
| 488 | R | 94.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.2 | 176.6 | 61.6 | 179.8 | 166.5 | 3.4 | 112.1 | I484 Q485 I486 R490 K491 L492 F510 D596 | I484-R488 PolarHBondContact O-N 2.99Å; Q485-R488 WeakPolarHBondContact O-CB 3.45Å; Q485-R488 PolarHBondContact O-N 3.3Å; I486-R488 VanDerWaalsContact C-N 3.3Å; I486-R488 PolarHBondContact O-N 2.95Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 2.89Å; R488-K491 PolarHBondContact O-N 3.01Å; R488-L492 HydrophobicContact CG-CD1 4.25Å; R488-L492 WeakPolarHBondContact O-CG 3.43Å; R488-L492 PolarHBondContact O-N 3.31Å; R488-F510 HydrophobicContact CB-CE2 4.43Å; R488-F510 HydrophobicContact CG-CD2 4.07Å; R488-F510 HydrophobicContact CG-CE2 4.29Å; R488-D596 WeakPolarHBondContact CD-OD1 3.19Å; R488-D596 IonicContact CZ-OD1 3.68Å; R488-D596 IonicContact NE-OD1 2.67Å; R488-D596 VanDerWaalsContact NH1-CG 3.3Å; R488-D596 IonicContact NH1-OD1 3.34Å; R488-D596 PolarHBondContact NH1-OD1 3.21Å; R488-D596 IonicContact NH1-OD2 3.59Å |
| 489 | L | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 176.6 | -71.8 | 169.6 | 0 | 0 | 0 | 111.4 | F481 Q485 I486 K491 L492 G493 I494 L502 F510 | F481-L489 HydrophobicContact CD1-CD1 4.39Å; F481-L489 HydrophobicContact CD2-CD1 3.9Å; F481-L489 HydrophobicContact CE1-CD1 4.21Å; F481-L489 HydrophobicContact CE2-CD1 3.71Å; F481-L489 HydrophobicContact CG-CD1 4.26Å; F481-L489 HydrophobicContact CZ-CD1 3.89Å; Q485-L489 WeakPolarHBondContact O-CG 3.42Å; Q485-L489 PolarHBondContact O-N 3.46Å; I486-L489 PolarHBondContact O-N 3.24Å; L489-K491 PolarHBondContact O-N 3.09Å; L489-L492 CarbonylContact O-C 3.55Å; L489-L492 WeakPolarHBondContact O-CA 3.29Å; L489-L492 WeakPolarHBondContact O-CB 3.35Å; L489-L492 PolarHBondContact O-N 3.18Å; L489-L492 VanDerWaalsContact O-N 3.08Å; L489-G493 PolarHBondContact O-N 2.93Å; L489-I494 CarbonylContact C-O 3.57Å; L489-I494 HydrophobicContact CB-CB 4.29Å; L489-I494 HydrophobicContact CD2-CB 4.12Å; L489-I494 HydrophobicContact CD2-CD1 4.01Å; L489-I494 HydrophobicContact CD2-CG2 4.02Å; L489-I494 PolarHBondContact O-N 3.36Å; L489-L502 HydrophobicContact CD2-CD1 4.26Å; L489-L502 HydrophobicContact CD2-CD2 3.95Å; L489-F510 HydrophobicContact CD2-CB 4.02Å; L489-F510 HydrophobicContact CD2-CD2 3.53Å; L489-F510 HydrophobicContact CD2-CE2 4.21Å; L489-F510 HydrophobicContact CD2-CG 3.88Å; L489-F510 HydrophobicContact CG-CD2 3.79Å; L489-F510 HydrophobicContact CG-CE2 4.02Å |
| 490 | R | 95.1 | Very high | 93.8 | Very high | 143 Ų | 143 | 65 Ų | 65 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176 | -69.6 | 175.4 | -174.5 | 165.6 | 2.4 | 112.3 | I486 S487 R488 L492 G493 E497 | I486-R490 WeakPolarHBondContact O-CG 3.41Å; I486-R490 PolarHBondContact O-N 2.76Å; S487-R490 PolarHBondContact O-N 3.08Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 2.89Å; R490-L492 PolarHBondContact O-N 3.36Å; R490-G493 PolarHBondContact O-N 3.35Å; R490-E497 IonicContact NH2-OE1 2.72Å |
| 491 | K | 92.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 63.9 Ų | 63.9 | 47% | 0.47 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -31 | 175 | -174.4 | 176.3 | 173.6 | -175.4 | 0 | 112.3 | S487 R488 L489 G493 D596 | S487-K491 PolarHBondContact O-N 3.27Å; R488-K491 PolarHBondContact O-N 3.01Å; L489-K491 PolarHBondContact O-N 3.09Å; K491-G493 VanDerWaalsContact C-N 3.29Å; K491-D596 WeakPolarHBondContact CD-OD1 3.48Å; K491-D596 VanDerWaalsContact NZ-CG 3.29Å; K491-D596 IonicContact NZ-OD1 3.29Å; K491-D596 PolarHBondContact NZ-OD1 3.24Å; K491-D596 IonicContact NZ-OD2 2.75Å; K491-D596 PolarHBondContact NZ-OD2 2.74Å |
| 492 | L | 94.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.4 | 175 | -66.5 | 170.8 | 0 | 0 | 0 | 113.9 | R488 L489 R490 I494 R509 F510 | R488-L492 HydrophobicContact CG-CD1 4.25Å; R488-L492 WeakPolarHBondContact O-CG 3.43Å; R488-L492 PolarHBondContact O-N 3.31Å; L489-L492 CarbonylContact O-C 3.55Å; L489-L492 WeakPolarHBondContact O-CA 3.29Å; L489-L492 WeakPolarHBondContact O-CB 3.35Å; L489-L492 PolarHBondContact O-N 3.18Å; L489-L492 VanDerWaalsContact O-N 3.08Å; R490-L492 PolarHBondContact O-N 3.36Å; L492-I494 VanDerWaalsContact C-N 3.34Å; L492-I494 HydrophobicContact CB-CD1 3.91Å; L492-I494 HydrophobicContact CB-CG1 4.12Å; L492-I494 HydrophobicContact CD1-CD1 4.24Å; L492-R509 HydrophobicContact CD1-CB 4.43Å; L492-R509 VanDerWaalsContact CD1-O 3.23Å; L492-R509 WeakPolarHBondContact CD1-O 3.41Å; L492-R509 PolarHBondContact O-NH2 3.37Å; L492-F510 HydrophobicContact CD1-CB 4.4Å |
| 493 | G | 95.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 22 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L489 R490 K491 | L489-G493 PolarHBondContact O-N 2.93Å; R490-G493 PolarHBondContact O-N 3.35Å; K491-G493 VanDerWaalsContact C-N 3.29Å |
| 494 | I | 95.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -101.5 | 107.4 | 179.1 | -56.5 | 166.5 | 0 | 0 | 0 | 108.5 | L489 L492 K496 L502 E506 | L489-I494 CarbonylContact C-O 3.57Å; L489-I494 HydrophobicContact CB-CB 4.29Å; L489-I494 HydrophobicContact CD2-CB 4.12Å; L489-I494 HydrophobicContact CD2-CD1 4.01Å; L489-I494 HydrophobicContact CD2-CG2 4.02Å; L489-I494 PolarHBondContact O-N 3.36Å; L492-I494 VanDerWaalsContact C-N 3.34Å; L492-I494 HydrophobicContact CB-CD1 3.91Å; L492-I494 HydrophobicContact CB-CG1 4.12Å; L492-I494 HydrophobicContact CD1-CD1 4.24Å; I494-K496 HydrophobicContact CG2-CB 4.15Å; I494-K496 HydrophobicContact CG2-CD 4.21Å; I494-K496 HydrophobicContact CG2-CG 4.26Å; I494-K496 PolarHBondContact O-N 3.46Å; I494-L502 HydrophobicContact CG2-CD2 3.63Å; I494-E506 HydrophobicContact CD1-CB 3.96Å; I494-E506 HydrophobicContact CD1-CG 4.08Å; I494-E506 HydrophobicContact CG1-CG 4.29Å | ||
| 495 | N | 93.6 | Very high | 94 | Very high | 143 Ų | 143 | 72 Ų | 72 | 77% | 0.765 | 35% | 0.35 | S | S | * | . | trans | -97 | 51.6 | -178.6 | -65.3 | -28.5 | 0 | 0 | 0 | 111.8 | ||||
| 496 | K | 93.3 | Very high | 94 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | trans | -120.1 | 129.2 | 178.5 | -66.1 | 172.9 | 174.7 | -179.1 | 0 | 109 | I494 E501 L502 E506 | I494-K496 HydrophobicContact CG2-CB 4.15Å; I494-K496 HydrophobicContact CG2-CD 4.21Å; I494-K496 HydrophobicContact CG2-CG 4.26Å; I494-K496 PolarHBondContact O-N 3.46Å; K496-E501 HydrophobicContact CB-CB 4.26Å; K496-E501 HydrophobicContact CD-CB 3.96Å; K496-E501 WeakPolarHBondContact CD-O 3.29Å; K496-E501 WeakPolarHBondContact CE-O 3.2Å; K496-E501 HydrophobicContact CG-CB 4.28Å; K496-E501 PolarHBondContact NZ-O 2.97Å; K496-L502 HydrophobicContact CB-CD2 4.26Å; K496-L502 HydrophobicContact CD-CD2 4.14Å; K496-E506 WeakPolarHBondContact CE-OE1 3.46Å; K496-E506 IonicContact NZ-OE1 3.71Å; K496-E506 PolarHBondContact NZ-OE1 3.12Å; K496-E506 IonicContact NZ-OE2 3.83Å; K496-E506 PolarHBondContact NZ-OE2 3.4Å | ||
| 497 | E | 89.3 | Confident | 94.2 | Very high | 126 Ų | 126 | 71.9 Ų | 71.9 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | trans | -103.1 | -12.3 | -176.6 | -61.6 | -165 | 158.9 | 0 | 0 | 112.8 | F481 R490 | F481-E497 WeakPolarHBondContact CD2-O 3.4Å; R490-E497 IonicContact NH2-OE1 2.72Å | ||
| 498 | R | 91.2 | Very high | 94.3 | Very high | 136 Ų | 136 | 71.7 Ų | 71.7 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -105 | 126.5 | -179.7 | -66.1 | 175.7 | 58.9 | -163.5 | 3.8 | 111.2 | E500 E501 | R498-E500 HydrophobicContact CB-CG 4.28Å; R498-E500 IonicContact CZ-OE1 2.74Å; R498-E500 IonicContact NE-OE1 3.62Å; R498-E500 PolarHBondContact NE-OE1 3.41Å; R498-E500 IonicContact NH2-OE1 2.63Å; R498-E500 PolarHBondContact NH2-OE1 3.19Å; R498-E500 PolarHBondContact O-N 3.44Å; R498-E500 VanDerWaalsContact O-N 3.14Å; R498-E501 HydrophobicContact CB-CG 3.87Å; R498-E501 WeakPolarHBondContact CD-OE1 3.42Å; R498-E501 IonicContact NH1-OE1 2.66Å; R498-E501 WeakPolarHBondContact O-CB 3.4Å; R498-E501 PolarHBondContact O-N 3.18Å |
| 499 | P | 93.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 76 Ų | 76 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -54.2 | -31.5 | -179.2 | -33.2 | 40.8 | 0 | 0 | 0 | 116 | Y468 V472 R479 F481 E501 | Y468-P499 VanDerWaalsContact OH-C 3.28Å; Y468-P499 VanDerWaalsContact OH-CA 3.28Å; Y468-P499 WeakPolarHBondContact OH-CA 3.38Å; Y468-P499 VanDerWaalsContact OH-CB 3.24Å; Y468-P499 WeakPolarHBondContact OH-CB 3.46Å; Y468-P499 PolarHBondContact OH-O 2.89Å; V472-P499 HydrophobicContact CG1-CB 4.11Å; V472-P499 HydrophobicContact CG1-CG 3.9Å; R479-P499 HydrophobicContact CB-CB 3.67Å; R479-P499 HydrophobicContact CB-CG 3.78Å; R479-P499 WeakPolarHBondContact O-CG 3.3Å; F481-P499 HydrophobicContact CD1-CG 4.33Å; F481-P499 HydrophobicContact CD2-CG 3.85Å; F481-P499 HydrophobicContact CE1-CB 4.43Å; F481-P499 HydrophobicContact CE1-CG 4.13Å; F481-P499 HydrophobicContact CE2-CB 4.12Å; F481-P499 HydrophobicContact CE2-CG 3.61Å; F481-P499 HydrophobicContact CG-CG 4.18Å; F481-P499 HydrophobicContact CZ-CB 3.9Å; F481-P499 HydrophobicContact CZ-CG 3.74Å; P499-E501 VanDerWaalsContact C-N 3.28Å; P499-E501 PolarHBondContact O-N 3.11Å |
| 500 | E | 91.4 | Very high | 94.4 | Very high | 115 Ų | 115 | 76.3 Ų | 76.3 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -73.3 | -15.1 | 178.7 | 56.3 | -89.4 | -155.7 | 0 | 0 | 114.3 | R498 | R498-E500 HydrophobicContact CB-CG 4.28Å; R498-E500 IonicContact CZ-OE1 2.74Å; R498-E500 IonicContact NE-OE1 3.62Å; R498-E500 PolarHBondContact NE-OE1 3.41Å; R498-E500 IonicContact NH2-OE1 2.63Å; R498-E500 PolarHBondContact NH2-OE1 3.19Å; R498-E500 PolarHBondContact O-N 3.44Å; R498-E500 VanDerWaalsContact O-N 3.14Å |
| 501 | E | 93.1 | Very high | 94.5 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -85.1 | -14.5 | -178.8 | -66.1 | 174 | 174.1 | 0 | 0 | 113 | K496 R498 P499 | K496-E501 HydrophobicContact CB-CB 4.26Å; K496-E501 HydrophobicContact CD-CB 3.96Å; K496-E501 WeakPolarHBondContact CD-O 3.29Å; K496-E501 WeakPolarHBondContact CE-O 3.2Å; K496-E501 HydrophobicContact CG-CB 4.28Å; K496-E501 PolarHBondContact NZ-O 2.97Å; R498-E501 HydrophobicContact CB-CG 3.87Å; R498-E501 WeakPolarHBondContact CD-OE1 3.42Å; R498-E501 IonicContact NH1-OE1 2.66Å; R498-E501 WeakPolarHBondContact O-CB 3.4Å; R498-E501 PolarHBondContact O-N 3.18Å; P499-E501 VanDerWaalsContact C-N 3.28Å; P499-E501 PolarHBondContact O-N 3.11Å |
| 502 | L | 94.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | trans | -71.3 | 131.1 | -178 | -65.7 | -179.9 | 0 | 0 | 0 | 111.4 | Y468 F481 L489 I494 K496 E506 I507 | Y468-L502 HydrophobicContact CE2-CD1 3.95Å; F481-L502 HydrophobicContact CE1-CD1 4.26Å; F481-L502 HydrophobicContact CE2-CD1 4.45Å; F481-L502 HydrophobicContact CZ-CD1 3.54Å; F481-L502 HydrophobicContact CZ-CG 4.22Å; L489-L502 HydrophobicContact CD2-CD1 4.26Å; L489-L502 HydrophobicContact CD2-CD2 3.95Å; I494-L502 HydrophobicContact CG2-CD2 3.63Å; K496-L502 HydrophobicContact CB-CD2 4.26Å; K496-L502 HydrophobicContact CD-CD2 4.14Å; L502-E506 VanDerWaalsContact CA-OE2 3.31Å; L502-E506 WeakPolarHBondContact CA-OE2 3.42Å; L502-E506 HydrophobicContact CB-CB 4.33Å; L502-E506 HydrophobicContact CD2-CB 4.01Å; L502-I507 HydrophobicContact CB-CD1 4.36Å; L502-I507 HydrophobicContact CB-CG1 3.7Å; L502-I507 HydrophobicContact CD1-CG1 4.21Å | ||
| 503 | T | 95.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | trans | -72.8 | 168.1 | 169.6 | 80.6 | 0 | 0 | 0 | 0 | 110.9 | E505 E506 I507 | T503-E505 VanDerWaalsContact C-N 3.26Å; T503-E505 WeakPolarHBondContact CB-OE2 3.31Å; T503-E505 PolarHBondContact O-N 3.33Å; T503-E505 PolarHBondContact OG1-N 3.09Å; T503-E505 PolarHBondContact OG1-OE2 2.88Å; T503-E506 PolarHBondContact N-OE2 3.24Å; T503-E506 PolarHBondContact O-N 3.48Å; T503-E506 PolarHBondContact OG1-N 2.94Å; T503-I507 WeakPolarHBondContact O-CB 3.4Å; T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.47Å; T503-I507 PolarHBondContact O-N 3.41Å | ||
| 504 | K | 95.1 | Very high | 94.8 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 176.2 | -70.3 | -173.5 | 177.1 | -175.4 | 0 | 112.1 | I507 S508 | K504-I507 PolarHBondContact O-N 2.89Å; K504-S508 WeakPolarHBondContact O-CB 3.2Å; K504-S508 PolarHBondContact O-N 3.24Å |
| 505 | E | 95.9 | Very high | 94.9 | Very high | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 178.7 | -58.3 | 70.1 | -150.8 | 0 | 0 | 111.3 | T503 S508 R509 | T503-E505 VanDerWaalsContact C-N 3.26Å; T503-E505 WeakPolarHBondContact CB-OE2 3.31Å; T503-E505 PolarHBondContact O-N 3.33Å; T503-E505 PolarHBondContact OG1-N 3.09Å; T503-E505 PolarHBondContact OG1-OE2 2.88Å; E505-S508 PolarHBondContact O-N 3.47Å; E505-R509 WeakPolarHBondContact O-CG 3.35Å; E505-R509 PolarHBondContact O-N 3.48Å |
| 506 | E | 96.9 | Very high | 95 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 175.5 | -70.5 | 172.5 | 155.9 | 0 | 0 | 111.8 | I494 K496 L502 T503 R509 F510 | I494-E506 HydrophobicContact CD1-CB 3.96Å; I494-E506 HydrophobicContact CD1-CG 4.08Å; I494-E506 HydrophobicContact CG1-CG 4.29Å; K496-E506 WeakPolarHBondContact CE-OE1 3.46Å; K496-E506 IonicContact NZ-OE1 3.71Å; K496-E506 PolarHBondContact NZ-OE1 3.12Å; K496-E506 IonicContact NZ-OE2 3.83Å; K496-E506 PolarHBondContact NZ-OE2 3.4Å; L502-E506 VanDerWaalsContact CA-OE2 3.31Å; L502-E506 WeakPolarHBondContact CA-OE2 3.42Å; L502-E506 HydrophobicContact CB-CB 4.33Å; L502-E506 HydrophobicContact CD2-CB 4.01Å; T503-E506 PolarHBondContact N-OE2 3.24Å; T503-E506 PolarHBondContact O-N 3.48Å; T503-E506 PolarHBondContact OG1-N 2.94Å; E506-R509 PolarHBondContact O-N 3.3Å; E506-F510 VanDerWaalsContact O-CB 3.24Å; E506-F510 WeakPolarHBondContact O-CB 3.37Å; E506-F510 PolarHBondContact O-N 2.92Å |
| 507 | I | 97 | Very high | 95 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -50.9 | 172.4 | -72.3 | 169.7 | 0 | 0 | 0 | 109.5 | Y468 L502 T503 K504 R509 F510 V511 | Y468-I507 HydrophobicContact CD1-CD1 4.18Å; Y468-I507 HydrophobicContact CD1-CG2 4.43Å; Y468-I507 HydrophobicContact CD2-CG1 4.21Å; Y468-I507 HydrophobicContact CD2-CG2 3.83Å; Y468-I507 HydrophobicContact CE1-CD1 4.08Å; Y468-I507 HydrophobicContact CE1-CG1 4.42Å; Y468-I507 HydrophobicContact CE2-CG1 4.12Å; Y468-I507 HydrophobicContact CG-CD1 4.49Å; Y468-I507 HydrophobicContact CG-CG1 4.42Å; Y468-I507 HydrophobicContact CG-CG2 3.76Å; L502-I507 HydrophobicContact CB-CD1 4.36Å; L502-I507 HydrophobicContact CB-CG1 3.7Å; L502-I507 HydrophobicContact CD1-CG1 4.21Å; T503-I507 WeakPolarHBondContact O-CB 3.4Å; T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.47Å; T503-I507 PolarHBondContact O-N 3.41Å; K504-I507 PolarHBondContact O-N 2.89Å; I507-R509 PolarHBondContact O-N 2.92Å; I507-F510 PolarHBondContact O-N 2.75Å; I507-F510 VanDerWaalsContact O-N 3.12Å; I507-V511 HydrophobicContact CG2-CG1 4.17Å; I507-V511 WeakPolarHBondContact O-CG1 3.21Å; I507-V511 VanDerWaalsContact O-CG2 3.3Å; I507-V511 WeakPolarHBondContact O-CG2 3.19Å; I507-V511 PolarHBondContact O-N 2.86Å |
| 508 | S | 96.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.2 | -51.1 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | D464 K504 E505 F510 V511 R512 | D464-S508 WeakPolarHBondContact OD2-CA 3.35Å; D464-S508 WeakPolarHBondContact OD2-CB 3.23Å; D464-S508 PolarHBondContact OD2-OG 3.43Å; K504-S508 WeakPolarHBondContact O-CB 3.2Å; K504-S508 PolarHBondContact O-N 3.24Å; E505-S508 PolarHBondContact O-N 3.47Å; S508-F510 VanDerWaalsContact C-N 3.28Å; S508-F510 PolarHBondContact O-N 2.75Å; S508-V511 PolarHBondContact O-N 3.5Å; S508-R512 VanDerWaalsContact O-CB 3.27Å; S508-R512 WeakPolarHBondContact O-CB 3.24Å; S508-R512 VanDerWaalsContact O-CG 3.29Å; S508-R512 WeakPolarHBondContact O-CG 3.39Å; S508-R512 PolarHBondContact O-N 3.11Å |
| 509 | R | 95.4 | Very high | 95.2 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 177.9 | -69.7 | 175.5 | 62.6 | -158.6 | -6.8 | 113.8 | L492 E505 E506 I507 | L492-R509 HydrophobicContact CD1-CB 4.43Å; L492-R509 VanDerWaalsContact CD1-O 3.23Å; L492-R509 WeakPolarHBondContact CD1-O 3.41Å; L492-R509 PolarHBondContact O-NH2 3.37Å; E505-R509 WeakPolarHBondContact O-CG 3.35Å; E505-R509 PolarHBondContact O-N 3.48Å; E506-R509 PolarHBondContact O-N 3.3Å; I507-R509 PolarHBondContact O-N 2.92Å |
| 510 | F | 96.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76 | -46.6 | 178.4 | 168.7 | -109.5 | 0 | 0 | 0 | 112 | Y468 V472 F481 Q485 R488 L489 L492 E506 I507 S508 | Y468-F510 HydrophobicContact CD2-CD1 4.17Å; Y468-F510 HydrophobicContact CD2-CE1 4.29Å; Y468-F510 HydrophobicContact CE2-CD1 4.16Å; Y468-F510 HydrophobicContact CE2-CE1 4.19Å; V472-F510 HydrophobicContact CG2-CE1 3.91Å; V472-F510 HydrophobicContact CG2-CZ 4.43Å; F481-F510 HydrophobicContact CD1-CZ 4.14Å; F481-F510 AromaticContact CE1-CE1 3.96Å; F481-F510 HydrophobicContact CE1-CE1 3.96Å; F481-F510 AromaticContact CE1-CZ 3.93Å; F481-F510 HydrophobicContact CE1-CZ 3.93Å; Q485-F510 HydrophobicContact CB-CE2 3.92Å; Q485-F510 HydrophobicContact CB-CZ 3.82Å; Q485-F510 HydrophobicContact CG-CE2 4.22Å; Q485-F510 HydrophobicContact CG-CZ 3.82Å; R488-F510 HydrophobicContact CB-CE2 4.43Å; R488-F510 HydrophobicContact CG-CD2 4.07Å; R488-F510 HydrophobicContact CG-CE2 4.29Å; L489-F510 HydrophobicContact CD2-CB 4.02Å; L489-F510 HydrophobicContact CD2-CD2 3.53Å; L489-F510 HydrophobicContact CD2-CE2 4.21Å; L489-F510 HydrophobicContact CD2-CG 3.88Å; L489-F510 HydrophobicContact CG-CD2 3.79Å; L489-F510 HydrophobicContact CG-CE2 4.02Å; L492-F510 HydrophobicContact CD1-CB 4.4Å; E506-F510 VanDerWaalsContact O-CB 3.24Å; E506-F510 WeakPolarHBondContact O-CB 3.37Å; E506-F510 PolarHBondContact O-N 2.92Å; I507-F510 PolarHBondContact O-N 2.75Å; I507-F510 VanDerWaalsContact O-N 3.12Å; S508-F510 VanDerWaalsContact C-N 3.28Å; S508-F510 PolarHBondContact O-N 2.75Å |
| 511 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -83 | -17.2 | -174.7 | -55.3 | 0 | 0 | 0 | 0 | 113.9 | R455 D464 L467 Y468 L471 I507 S508 | R455-V511 VanDerWaalsContact NH2-C 3.31Å; R455-V511 PolarHBondContact NH2-O 3.37Å; D464-V511 HydrophobicContact CB-CG2 4.09Å; L467-V511 HydrophobicContact CB-CB 3.95Å; L467-V511 HydrophobicContact CB-CG2 4.06Å; L467-V511 HydrophobicContact CD1-CG2 4.23Å; Y468-V511 HydrophobicContact CD2-CG1 3.75Å; Y468-V511 HydrophobicContact CG-CG1 4.31Å; L471-V511 HydrophobicContact CD1-CB 3.89Å; L471-V511 HydrophobicContact CD1-CG1 3.9Å; I507-V511 HydrophobicContact CG2-CG1 4.17Å; I507-V511 WeakPolarHBondContact O-CG1 3.21Å; I507-V511 VanDerWaalsContact O-CG2 3.3Å; I507-V511 WeakPolarHBondContact O-CG2 3.19Å; I507-V511 PolarHBondContact O-N 2.86Å; S508-V511 PolarHBondContact O-N 3.5Å |
| 512 | R | 96.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | trans | -101.4 | 126.3 | 175.5 | -61 | -75.7 | 179.2 | -179.9 | -7.5 | 110.9 | E459 Q462 D464 S508 | E459-R512 PolarHBondContact O-NH1 3.46Å; Q462-R512 PolarHBondContact O-NH2 3.33Å; D464-R512 IonicContact OD1-CZ 3.8Å; D464-R512 IonicContact OD1-NE 3.1Å; D464-R512 PolarHBondContact OD1-NE 2.94Å; D464-R512 IonicContact OD1-NH2 3.92Å; D464-R512 PolarHBondContact OD1-NH2 3.39Å; S508-R512 VanDerWaalsContact O-CB 3.27Å; S508-R512 WeakPolarHBondContact O-CB 3.24Å; S508-R512 VanDerWaalsContact O-CG 3.29Å; S508-R512 WeakPolarHBondContact O-CG 3.39Å; S508-R512 PolarHBondContact O-N 3.11Å | ||
| 513 | L | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | trans | -90.3 | -20.4 | 160.2 | -59.4 | -174.8 | 0 | 0 | 0 | 111.1 | R455 E459 I515 D586 V592 D596 L597 | R455-L513 HydrophobicContact CG-CD1 4.1Å; E459-L513 PolarHBondContact OE1-N 2.96Å; E459-L513 PolarHBondContact OE2-N 3.4Å; L513-I515 HydrophobicContact CB-CD1 4.44Å; L513-I515 HydrophobicContact CB-CG1 3.98Å; L513-I515 HydrophobicContact CD1-CD1 4.39Å; L513-I515 PolarHBondContact O-N 2.98Å; L513-D586 WeakPolarHBondContact O-CB 3.36Å; L513-V592 HydrophobicContact CB-CG1 4.32Å; L513-V592 HydrophobicContact CD1-CG1 3.73Å; L513-V592 HydrophobicContact CG-CG1 4.46Å; L513-D596 HydrophobicContact CD1-CB 4.17Å; L513-D596 HydrophobicContact CD2-CB 3.82Å; L513-L597 HydrophobicContact CD1-CD2 3.74Å; L513-L597 HydrophobicContact CD1-CG 4.29Å | ||
| 514 | D | 96.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | trans | 50.8 | 40.9 | -179.7 | -75.5 | -38.9 | 0 | 0 | 0 | 112.2 | E459 D516 D586 K587 | E459-D514 PolarHBondContact OE2-N 2.98Å; D514-D516 PolarHBondContact O-N 3.22Å; D514-D586 HydrophobicContact CB-CB 4.47Å; D514-D586 CarbonylContact O-C 3.52Å; D514-D586 VanDerWaalsContact O-CA 3.22Å; D514-D586 WeakPolarHBondContact O-CA 3.4Å; D514-K587 WeakPolarHBondContact O-CG 3.33Å; D514-K587 PolarHBondContact O-N 3.49Å | ||
| 515 | I | 97.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -52.6 | 127.6 | 178.5 | -68.3 | 171 | 0 | 0 | 0 | 108.9 | R455 V456 L513 P517 I520 A584 V592 L597 | R455-I515 HydrophobicContact CG-CD1 4.39Å; V456-I515 HydrophobicContact CG2-CB 4.01Å; V456-I515 HydrophobicContact CG2-CD1 4.24Å; V456-I515 HydrophobicContact CG2-CG2 3.91Å; L513-I515 HydrophobicContact CB-CD1 4.44Å; L513-I515 HydrophobicContact CB-CG1 3.98Å; L513-I515 HydrophobicContact CD1-CD1 4.39Å; L513-I515 PolarHBondContact O-N 2.98Å; I515-P517 WeakPolarHBondContact O-CD 3.28Å; I515-I520 HydrophobicContact CG2-CD1 4.12Å; I515-I520 HydrophobicContact CG2-CG1 3.84Å; I515-A584 HydrophobicContact CG2-CB 3.8Å; I515-V592 HydrophobicContact CD1-CG1 4.25Å; I515-V592 HydrophobicContact CG1-CB 4.47Å; I515-V592 HydrophobicContact CG1-CG1 4.1Å; I515-V592 HydrophobicContact CG1-CG2 4.16Å; I515-L597 HydrophobicContact CD1-CD2 4.2Å |
| 516 | D | 95.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | trans | -83.1 | 110.4 | 169.8 | -178.9 | 34.4 | 0 | 0 | 0 | 109 | D514 P518 S519 F585 K587 | D514-D516 PolarHBondContact O-N 3.22Å; D516-P518 VanDerWaalsContact C-CD 3.5Å; D516-P518 VanDerWaalsContact OD1-CD 3.29Å; D516-P518 WeakPolarHBondContact OD1-CD 3.47Å; D516-S519 WeakPolarHBondContact O-CB 3.16Å; D516-S519 PolarHBondContact O-N 3.32Å; D516-S519 PolarHBondContact O-OG 3.42Å; D516-F585 PolarHBondContact N-O 2.96Å; D516-K587 HydrophobicContact CB-CG 4.2Å | ||
| 517 | P | 93.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -56.3 | -39.4 | -170.2 | -25.1 | 34.3 | 0 | 0 | 0 | 115.7 | V456 I515 S519 I520 | V456-P517 HydrophobicContact CG1-CG 4.44Å; I515-P517 WeakPolarHBondContact O-CD 3.28Å; P517-S519 PolarHBondContact O-N 3.37Å; P517-I520 HydrophobicContact CB-CD1 4.5Å; P517-I520 WeakPolarHBondContact O-CB 3.35Å; P517-I520 WeakPolarHBondContact O-CD1 3.49Å; P517-I520 WeakPolarHBondContact O-CG1 3.29Å; P517-I520 PolarHBondContact O-N 2.81Å |
| 518 | P | 92.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 74% | 0.74 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -64.5 | -19.2 | 174.3 | -22.9 | 35.7 | 0 | 0 | 0 | 114.5 | D516 I520 | D516-P518 VanDerWaalsContact C-CD 3.5Å; D516-P518 VanDerWaalsContact OD1-CD 3.29Å; D516-P518 WeakPolarHBondContact OD1-CD 3.47Å; P518-I520 VanDerWaalsContact C-N 3.35Å |
| 519 | S | 92.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -84.7 | -7.2 | 179.3 | 81.1 | 0 | 0 | 0 | 0 | 113.9 | D516 P517 C521 F585 | D516-S519 WeakPolarHBondContact O-CB 3.16Å; D516-S519 PolarHBondContact O-N 3.32Å; D516-S519 PolarHBondContact O-OG 3.42Å; P517-S519 PolarHBondContact O-N 3.37Å; S519-C521 PolarHBondContact O-N 3.28Å; S519-C521 VanDerWaalsContact O-N 3.09Å; S519-F585 PolarHBondContact OG-N 2.95Å; S519-F585 PolarHBondContact OG-O 2.84Å |
| 520 | I | 94.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | trans | -62.7 | 113.2 | 179.3 | -63.4 | 168.1 | 0 | 0 | 0 | 108.8 | I452 V456 I515 P517 P518 W522 A584 | I452-I520 HydrophobicContact CG2-CD1 3.76Å; I452-I520 HydrophobicContact CG2-CG1 4.13Å; I452-I520 HydrophobicContact CG2-CG2 4.19Å; V456-I520 HydrophobicContact CG2-CD1 4.48Å; I515-I520 HydrophobicContact CG2-CD1 4.12Å; I515-I520 HydrophobicContact CG2-CG1 3.84Å; P517-I520 HydrophobicContact CB-CD1 4.5Å; P517-I520 WeakPolarHBondContact O-CB 3.35Å; P517-I520 WeakPolarHBondContact O-CD1 3.49Å; P517-I520 WeakPolarHBondContact O-CG1 3.29Å; P517-I520 PolarHBondContact O-N 2.81Å; P518-I520 VanDerWaalsContact C-N 3.35Å; I520-W522 HydrophobicContact CG2-CB 4.37Å; I520-A584 HydrophobicContact CB-CB 4.47Å; I520-A584 HydrophobicContact CG1-CB 3.96Å | ||
| 521 | C | 90.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 44 Ų | 44 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | trans | -103.5 | 1.9 | -179.8 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | S519 V582 V583 | S519-C521 PolarHBondContact O-N 3.28Å; S519-C521 VanDerWaalsContact O-N 3.09Å; C521-V582 PolarHBondContact SG-O 3.29Å; C521-V583 PolarHBondContact N-O 3.01Å; C521-V583 VanDerWaalsContact SG-C 3.56Å; C521-V583 PolarHBondContact SG-O 3.1Å; C521-V583 VanDerWaalsContact SG-O 3.42Å | ||
| 522 | W | 94.5 | Very high | 93.9 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | trans | -81.5 | 132.1 | 178.5 | -167.7 | -100 | 0 | 0 | 0 | 112.8 | A445 I448 I452 I520 L561 I581 V583 | A445-W522 HydrophobicContact CB-CZ2 4.03Å; A445-W522 PolarHBondContact O-NE1 2.81Å; I448-W522 HydrophobicContact CB-CZ2 3.82Å; I448-W522 HydrophobicContact CD1-CH2 3.67Å; I448-W522 HydrophobicContact CD1-CZ2 3.54Å; I448-W522 HydrophobicContact CG1-CZ2 4.27Å; I448-W522 HydrophobicContact CG2-CD2 3.77Å; I448-W522 VanDerWaalsContact CG2-CE2 3.49Å; I448-W522 HydrophobicContact CG2-CE3 4.37Å; I448-W522 HydrophobicContact CG2-CG 4.09Å; I448-W522 HydrophobicContact CG2-CH2 4.44Å; I448-W522 HydrophobicContact CG2-CZ2 3.88Å; I452-W522 HydrophobicContact CD1-CB 3.42Å; I452-W522 VanDerWaalsContact CD1-CB 3.42Å; I452-W522 HydrophobicContact CD1-CG 3.65Å; I520-W522 HydrophobicContact CG2-CB 4.37Å; W522-L561 HydrophobicContact CH2-CD1 4.47Å; W522-L561 HydrophobicContact CH2-CD2 4.32Å; W522-L561 HydrophobicContact CH2-CG 3.99Å; W522-L561 HydrophobicContact CZ2-CD1 4.46Å; W522-L561 HydrophobicContact CZ2-CG 4.44Å; W522-I581 HydrophobicContact CE3-CG2 4.02Å; W522-I581 HydrophobicContact CH2-CD1 4.45Å; W522-I581 HydrophobicContact CH2-CG2 4.34Å; W522-I581 HydrophobicContact CZ3-CG2 3.48Å; W522-I581 VanDerWaalsContact CZ3-CG2 3.48Å; W522-V583 HydrophobicContact CB-CB 4.38Å; W522-V583 HydrophobicContact CD2-CG1 4.34Å; W522-V583 HydrophobicContact CE3-CG1 4.03Å; W522-V583 PolarHBondContact N-O 3.46Å | ||
| 523 | N | 92.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | trans | -106.3 | 148 | 178 | -65.8 | -20.9 | 0 | 0 | 0 | 111.2 | H552 C554 | N523-H552 CarbonylContact C-O 3.56Å; N523-H552 WeakPolarHBondContact CA-O 3.22Å; N523-H552 HydrophobicContact CB-CB 4.49Å; N523-H552 WeakPolarHBondContact CB-O 3.19Å; N523-C554 HydrophobicContact CB-CB 4.48Å; N523-C554 PolarHBondContact ND2-SG 2.73Å | ||
| 524 | R | 95.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 160.6 | 166.7 | -62.3 | -63 | -174.9 | 153.3 | 0.8 | 109.5 | N446 G449 A450 D453 H552 F553 C554 | N446-R524 PolarHBondContact O-NH1 3.12Å; G449-R524 PolarHBondContact O-NH2 3.05Å; A450-R524 VanDerWaalsContact N-CZ 3.35Å; D453-R524 IonicContact OD2-CZ 3.21Å; D453-R524 IonicContact OD2-NE 3.2Å; D453-R524 IonicContact OD2-NH2 2.7Å; D453-R524 PolarHBondContact OD2-NH2 2.75Å; R524-H552 PolarHBondContact N-O 2.79Å; R524-F553 HydrophobicContact CB-CD1 3.44Å; R524-F553 VanDerWaalsContact CB-CD1 3.44Å; R524-F553 HydrophobicContact CB-CD2 3.98Å; R524-F553 HydrophobicContact CB-CE1 3.34Å; R524-F553 HydrophobicContact CB-CE2 3.85Å; R524-F553 HydrophobicContact CB-CG 3.78Å; R524-F553 HydrophobicContact CB-CZ 3.55Å; R524-F553 HydrophobicContact CG-CE1 4.17Å; R524-F553 HydrophobicContact CG-CE2 4.14Å; R524-F553 HydrophobicContact CG-CZ 3.91Å; R524-F553 CarbonylContact O-C 3.51Å; R524-F553 VanDerWaalsContact O-CA 3.22Å; R524-F553 WeakPolarHBondContact O-CA 3.25Å; R524-C554 PolarHBondContact O-N 3.05Å |
| 525 | V | 95.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.6 | -172.1 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | V442 A445 N446 C554 A556 | V442-V525 HydrophobicContact CG2-CG1 4.19Å; A445-V525 HydrophobicContact CB-CB 3.69Å; A445-V525 HydrophobicContact CB-CG1 4.41Å; A445-V525 HydrophobicContact CB-CG2 3.53Å; N446-V525 PolarHBondContact ND2-O 3.44Å; N446-V525 PolarHBondContact OD1-N 3.16Å; V525-C554 WeakPolarHBondContact CA-O 3.15Å; V525-A556 HydrophobicContact CG1-CB 3.61Å |
| 526 | L | 95 | Very high | 93.4 | Very high | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.288 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 158.2 | 171.9 | -69.8 | 170.2 | 0 | 0 | 0 | 109.7 | L533 F553 C554 I555 A556 | L526-L533 HydrophobicContact CD1-CD1 3.36Å; L526-F553 HydrophobicContact CD1-CD1 3.68Å; L526-F553 HydrophobicContact CD1-CE1 3.91Å; L526-F553 HydrophobicContact CG-CD1 3.79Å; L526-F553 HydrophobicContact CG-CE1 4.04Å; L526-C554 PolarHBondContact N-O 2.68Å; L526-C554 VanDerWaalsContact N-O 3.12Å; L526-I555 CarbonylContact O-C 3.33Å; L526-I555 WeakPolarHBondContact O-CA 3.24Å; L526-A556 PolarHBondContact O-N 3.46Å |
| 527 | D | 93.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -107.5 | 55.1 | 173.6 | -160.8 | 43.4 | 0 | 0 | 0 | 111.3 | S405 L406 I438 V442 A556 | S405-D527 WeakPolarHBondContact CB-OD1 3.4Å; S405-D527 PolarHBondContact OG-OD1 2.9Å; L406-D527 WeakPolarHBondContact CB-OD2 3.47Å; L406-D527 WeakPolarHBondContact CG-OD2 3.4Å; L406-D527 PolarHBondContact N-OD2 2.93Å; I438-D527 HydrophobicContact CG2-CB 3.87Å; I438-D527 VanDerWaalsContact CG2-CG 3.43Å; I438-D527 WeakPolarHBondContact CG2-OD2 3.3Å; V442-D527 HydrophobicContact CG2-CB 4.21Å; D527-A556 HydrophobicContact CB-CB 4.1Å |
| 528 | T | 92 | Very high | 93.4 | Very high | 83 Ų | 83 | 57 Ų | 57 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -149.6 | 150 | -178.2 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | D530 | T528-D530 PolarHBondContact O-N 3.42Š|
| 529 | N | 90.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | trans | -77.2 | 100.9 | 175.2 | -60.2 | -24.5 | 0 | 0 | 0 | 110.1 | G407 G411 P903 L905 | G407-N529 WeakPolarHBondContact CA-OD1 3.31Å; G407-N529 PolarHBondContact O-ND2 2.92Å; G407-N529 PolarHBondContact O-OD1 3.4Å; G411-N529 WeakPolarHBondContact CA-ND2 3.44Å; N529-P903 CarbonylContact C-O 3.57Å; N529-P903 WeakPolarHBondContact CA-O 3.33Å; N529-P903 HydrophobicContact CB-CG 4.37Å; N529-P903 WeakPolarHBondContact OD1-CG 3.47Å; N529-L905 HydrophobicContact CB-CD2 3.9Å; N529-L905 HydrophobicContact CB-CG 4.01Å | ||
| 530 | D | 93.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | trans | -137.4 | 92 | 176.8 | -168 | -16.4 | 0 | 0 | 0 | 112.3 | T528 F532 L533 M902 P903 | T528-D530 PolarHBondContact O-N 3.42Å; D530-F532 PolarHBondContact O-N 3.26Å; D530-F532 PolarHBondContact OD1-N 2.94Å; D530-F532 VanDerWaalsContact OD1-N 3.1Å; D530-L533 HydrophobicContact CB-CD1 3.96Å; D530-L533 HydrophobicContact CB-CG 4.18Å; D530-L533 PolarHBondContact O-N 3.35Å; D530-L533 VanDerWaalsContact OD2-CD1 3.3Å; D530-L533 WeakPolarHBondContact OD2-CD1 3.32Å; D530-L533 WeakPolarHBondContact OD2-CG 3.12Å; D530-M902 WeakPolarHBondContact O-CG 3.34Å; D530-P903 PolarHBondContact N-O 2.87Å | ||
| 531 | R | 92.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -65 | -22 | -177.7 | 70.4 | 177 | 74.3 | -164.8 | 1.9 | 113.9 | L533 R534 L905 | R531-L533 VanDerWaalsContact C-N 3.25Å; R531-L533 PolarHBondContact O-N 2.94Å; R531-R534 WeakPolarHBondContact O-CB 3.41Å; R531-R534 WeakPolarHBondContact O-CD 3.28Å; R531-R534 VanDerWaalsContact O-CG 3.27Å; R531-R534 WeakPolarHBondContact O-CG 3.37Å; R531-R534 PolarHBondContact O-N 3.09Å; R531-L905 PolarHBondContact NH2-O 3.05Å |
| 532 | F | 93 | Very high | 93.5 | Very high | 175 Ų | 175 | 61.8 Ų | 61.8 | 77% | 0.768 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -74.9 | -20.6 | -179.1 | -78.2 | -89.1 | 0 | 0 | 0 | 111.8 | D530 R534 | D530-F532 PolarHBondContact O-N 3.26Å; D530-F532 PolarHBondContact OD1-N 2.94Å; D530-F532 VanDerWaalsContact OD1-N 3.1Å; F532-R534 VanDerWaalsContact C-N 3.27Å; F532-R534 PolarHBondContact O-N 3.42Å |
| 533 | L | 94.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -84.6 | 4.2 | 176.2 | -60.1 | 179.3 | 0 | 0 | 0 | 113.9 | L526 D530 R531 T535 V536 F553 | L526-L533 HydrophobicContact CD1-CD1 3.36Å; D530-L533 HydrophobicContact CB-CD1 3.96Å; D530-L533 HydrophobicContact CB-CG 4.18Å; D530-L533 PolarHBondContact O-N 3.35Å; D530-L533 VanDerWaalsContact OD2-CD1 3.3Å; D530-L533 WeakPolarHBondContact OD2-CD1 3.32Å; D530-L533 WeakPolarHBondContact OD2-CG 3.12Å; R531-L533 VanDerWaalsContact C-N 3.25Å; R531-L533 PolarHBondContact O-N 2.94Å; L533-T535 PolarHBondContact O-N 2.97Å; L533-V536 HydrophobicContact CD2-CG1 3.81Å; L533-F553 HydrophobicContact CB-CB 3.77Å; L533-F553 HydrophobicContact CB-CD2 3.94Å; L533-F553 HydrophobicContact CB-CG 3.91Å; L533-F553 HydrophobicContact CD1-CD1 4.42Å; L533-F553 HydrophobicContact CD1-CG 4.35Å; L533-F553 HydrophobicContact CD2-CD2 4.47Å; L533-F553 WeakPolarHBondContact O-CB 3.16Å; L533-F553 PolarHBondContact O-N 2.88Å |
| 534 | R | 92.8 | Very high | 93.2 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -54.5 | -42.6 | 175.1 | -78.8 | 171.3 | -172.6 | 177.2 | 2.6 | 111.4 | R531 F532 H552 M902 | R531-R534 WeakPolarHBondContact O-CB 3.41Å; R531-R534 WeakPolarHBondContact O-CD 3.28Å; R531-R534 VanDerWaalsContact O-CG 3.27Å; R531-R534 WeakPolarHBondContact O-CG 3.37Å; R531-R534 PolarHBondContact O-N 3.09Å; F532-R534 VanDerWaalsContact C-N 3.27Å; F532-R534 PolarHBondContact O-N 3.42Å; R534-H552 VanDerWaalsContact O-CA 3.3Å; R534-H552 WeakPolarHBondContact O-CA 3.36Å; R534-H552 WeakPolarHBondContact O-CB 3.3Å; R534-H552 PolarHBondContact O-CD2 2.99Å; R534-M902 HydrophobicContact CG-CB 3.83Å; R534-M902 HydrophobicContact CG-CG 4.29Å; R534-M902 VanDerWaalsContact CZ-O 3.3Å; R534-M902 PolarHBondContact NE-O 3.49Å; R534-M902 PolarHBondContact NH2-O 3.17Å |
| 535 | T | 93.7 | Very high | 92.5 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -139.7 | 127.4 | 174 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | L533 C551 H552 | L533-T535 PolarHBondContact O-N 2.97Å; T535-C551 WeakPolarHBondContact CA-O 3.47Å; T535-H552 PolarHBondContact OG1-CD2 2.84Å; T535-H552 PolarHBondContact OG1-NE2 2.66Å |
| 536 | V | 95 | Very high | 92 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163.8 | 175.3 | -55 | 0 | 0 | 0 | 0 | 109.7 | L533 I538 Q550 C551 F553 | L533-V536 HydrophobicContact CD2-CG1 3.81Å; V536-I538 HydrophobicContact CG2-CG2 4.25Å; V536-Q550 CarbonylContact O-C 3.59Å; V536-Q550 WeakPolarHBondContact O-CA 3.31Å; V536-C551 WeakPolarHBondContact CG2-SG 3.33Å; V536-C551 PolarHBondContact N-O 3.36Å; V536-C551 PolarHBondContact O-N 3.02Å; V536-F553 HydrophobicContact CG2-CD2 4.19Å; V536-F553 HydrophobicContact CG2-CE2 3.87Å |
| 537 | T | 94.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.1 | 169.7 | -46.6 | 0 | 0 | 0 | 0 | 109.1 | E540 R549 | T537-E540 HydrophobicContact CG2-CG 4.44Å; T537-E540 WeakPolarHBondContact CG2-OE1 3.48Å; T537-R549 WeakPolarHBondContact CA-O 3.43Å |
| 538 | I | 93.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 23% | 0.226 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 164.5 | 176.5 | 63.4 | 169 | 0 | 0 | 0 | 110.2 | D453 V536 S548 R549 C551 | D453-I538 VanDerWaalsContact OD2-CD1 3.32Å; D453-I538 WeakPolarHBondContact OD2-CD1 3.42Å; V536-I538 HydrophobicContact CG2-CG2 4.25Å; I538-S548 CarbonylContact O-C 3.57Å; I538-S548 WeakPolarHBondContact O-CA 3.48Å; I538-R549 HydrophobicContact CD1-CG 4Å; I538-R549 HydrophobicContact CG1-CG 3.72Å; I538-R549 PolarHBondContact N-O 3.42Å; I538-R549 PolarHBondContact O-N 3.18Å; I538-C551 VanDerWaalsContact CG2-SG 3.56Å |
| 539 | G | 92.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 76.2 Ų | 76.2 | 27% | 0.268 | 42% | 0.421 | S | S | . | . | trans | 80.1 | 23.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S541 | G539-S541 VanDerWaalsContact C-N 3.3Š| ||
| 540 | E | 93.5 | Very high | 91.8 | Very high | 133 Ų | 133 | 82.3 Ų | 82.3 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | trans | -81.6 | -8.6 | -179.7 | -64.4 | -65.3 | 143.3 | 0 | 0 | 113.4 | T537 S548 | T537-E540 HydrophobicContact CG2-CG 4.44Å; T537-E540 WeakPolarHBondContact CG2-OE1 3.48Å; E540-S548 WeakPolarHBondContact OE1-CB 3.33Å | ||
| 541 | S | 93.6 | Very high | 91.8 | Very high | 67 Ų | 67 | 79.7 Ų | 79.7 | 47% | 0.469 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -67.3 | 147.1 | 176.8 | -77.3 | 0 | 0 | 0 | 0 | 111.2 | G539 T543 E544 M545 | G539-S541 VanDerWaalsContact C-N 3.3Å; S541-T543 PolarHBondContact O-N 3.31Å; S541-T543 VanDerWaalsContact O-N 3.09Å; S541-E544 WeakPolarHBondContact CB-OE2 3.25Å; S541-E544 PolarHBondContact O-N 2.93Å; S541-M545 PolarHBondContact O-N 2.86Å |
| 542 | P | 92.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 77.3 Ų | 77.3 | 71% | 0.708 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -57.4 | -27.7 | -178.5 | -27.5 | 35.2 | 0 | 0 | 0 | 115.2 | E544 M545 | P542-E544 VanDerWaalsContact C-N 3.33Å; P542-M545 WeakPolarHBondContact O-CB 3.17Å |
| 543 | T | 89.7 | Confident | 91.9 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 66% | 0.656 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -74.2 | -21.6 | 178.6 | 35.5 | 0 | 0 | 0 | 0 | 113.8 | S541 | S541-T543 PolarHBondContact O-N 3.31Å; S541-T543 VanDerWaalsContact O-N 3.09Å |
| 544 | E | 89.9 | Confident | 91.8 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -108.2 | 16.6 | 178.8 | -67.2 | 69.8 | -149.5 | 0 | 0 | 111.3 | F457 S541 P542 G546 M547 | F457-E544 HydrophobicContact CD2-CG 4.4Å; F457-E544 HydrophobicContact CE2-CG 4.41Å; S541-E544 WeakPolarHBondContact CB-OE2 3.25Å; S541-E544 PolarHBondContact O-N 2.93Å; P542-E544 VanDerWaalsContact C-N 3.33Å; E544-G546 PolarHBondContact O-N 3.27Å; E544-M547 WeakPolarHBondContact O-CA 3.07Å; E544-M547 VanDerWaalsContact O-CB 3.24Å; E544-M547 WeakPolarHBondContact O-CB 3.26Å; E544-M547 PolarHBondContact O-N 3.4Å |
| 545 | M | 82.2 | Confident | 91.8 | Very high | 154 Ų | 154 | 66.2 Ų | 66.2 | 76% | 0.759 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 130.2 | -176.1 | -173.3 | -176.7 | -60.5 | 0 | 0 | 112.1 | S541 P542 M547 | S541-M545 PolarHBondContact O-N 2.86Å; P542-M545 WeakPolarHBondContact O-CB 3.17Å; M545-M547 VanDerWaalsContact C-N 3.26Å; M545-M547 PolarHBondContact O-N 3.45Å |
| 546 | G | 85.4 | Confident | 91.9 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 0 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E544 | E544-G546 PolarHBondContact O-N 3.27Š|
| 547 | M | 88.6 | Confident | 91.7 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 30% | 0.296 | 36% | 0.356 | S | S | . | . | trans | -110.5 | 15.6 | 178.3 | -53.4 | -165 | 58.1 | 0 | 0 | 113.1 | V456 F457 S460 E544 M545 | V456-M547 HydrophobicContact CG1-CE 4.12Å; F457-M547 HydrophobicContact CB-CE 4.28Å; F457-M547 HydrophobicContact CD2-CE 4.22Å; F457-M547 HydrophobicContact CD2-SD 3.58Å; F457-M547 VanDerWaalsContact CD2-SD 3.58Å; F457-M547 HydrophobicContact CE2-SD 4.16Å; S460-M547 WeakPolarHBondContact OG-CE 3.32Å; S460-M547 PolarHBondContact OG-SD 3.24Å; S460-M547 VanDerWaalsContact OG-SD 3.4Å; E544-M547 WeakPolarHBondContact O-CA 3.07Å; E544-M547 VanDerWaalsContact O-CB 3.24Å; E544-M547 WeakPolarHBondContact O-CB 3.26Å; E544-M547 PolarHBondContact O-N 3.4Å; M545-M547 VanDerWaalsContact C-N 3.26Å; M545-M547 PolarHBondContact O-N 3.45Å | ||
| 548 | S | 92.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | trans | -63.4 | 142.3 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | I538 E540 | I538-S548 CarbonylContact O-C 3.57Å; I538-S548 WeakPolarHBondContact O-CA 3.48Å; E540-S548 WeakPolarHBondContact OE1-CB 3.33Å | ||
| 549 | R | 92.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.7 | 173.1 | 70.9 | 178.1 | -169.9 | 84.5 | -1.3 | 112.2 | D453 T537 I538 | D453-R549 IonicContact OD1-CZ 2.8Å; D453-R549 IonicContact OD1-NE 3.16Å; D453-R549 PolarHBondContact OD1-NE 3.46Å; D453-R549 IonicContact OD1-NH2 3.57Å; D453-R549 PolarHBondContact OD1-NH2 3.24Å; D453-R549 IonicContact OD2-NH2 2.67Å; T537-R549 WeakPolarHBondContact CA-O 3.43Å; I538-R549 HydrophobicContact CD1-CG 4Å; I538-R549 HydrophobicContact CG1-CG 3.72Å; I538-R549 PolarHBondContact N-O 3.42Å; I538-R549 PolarHBondContact O-N 3.18Å |
| 550 | Q | 92.9 | Very high | 91.7 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 138.9 | 167.5 | -69.4 | -176 | -14.6 | 0 | 0 | 110.2 | V536 | V536-Q550 CarbonylContact O-C 3.59Å; V536-Q550 WeakPolarHBondContact O-CA 3.31Å |
| 551 | C | 92.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167.4 | 171.1 | 83.5 | 0 | 0 | 0 | 0 | 110.3 | T535 V536 I538 | T535-C551 WeakPolarHBondContact CA-O 3.47Å; V536-C551 WeakPolarHBondContact CG2-SG 3.33Å; V536-C551 PolarHBondContact N-O 3.36Å; V536-C551 PolarHBondContact O-N 3.02Å; I538-C551 VanDerWaalsContact CG2-SG 3.56Å |
| 552 | H | 92.9 | Very high | 92 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | trans | -125.1 | 148.7 | -176.5 | -57.4 | 69.3 | 0 | 0 | 0 | 109.4 | N523 R524 R534 T535 | N523-H552 CarbonylContact C-O 3.56Å; N523-H552 WeakPolarHBondContact CA-O 3.22Å; N523-H552 HydrophobicContact CB-CB 4.49Å; N523-H552 WeakPolarHBondContact CB-O 3.19Å; R524-H552 PolarHBondContact N-O 2.79Å; R534-H552 VanDerWaalsContact O-CA 3.3Å; R534-H552 WeakPolarHBondContact O-CA 3.36Å; R534-H552 WeakPolarHBondContact O-CB 3.3Å; R534-H552 PolarHBondContact O-CD2 2.99Å; T535-H552 PolarHBondContact OG1-CD2 2.84Å; T535-H552 PolarHBondContact OG1-NE2 2.66Å | ||
| 553 | F | 94.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 148.2 | 163.2 | -72.8 | -109.9 | 0 | 0 | 0 | 110.7 | R524 L526 L533 V536 M902 | R524-F553 HydrophobicContact CB-CD1 3.44Å; R524-F553 VanDerWaalsContact CB-CD1 3.44Å; R524-F553 HydrophobicContact CB-CD2 3.98Å; R524-F553 HydrophobicContact CB-CE1 3.34Å; R524-F553 HydrophobicContact CB-CE2 3.85Å; R524-F553 HydrophobicContact CB-CG 3.78Å; R524-F553 HydrophobicContact CB-CZ 3.55Å; R524-F553 HydrophobicContact CG-CE1 4.17Å; R524-F553 HydrophobicContact CG-CE2 4.14Å; R524-F553 HydrophobicContact CG-CZ 3.91Å; R524-F553 CarbonylContact O-C 3.51Å; R524-F553 VanDerWaalsContact O-CA 3.22Å; R524-F553 WeakPolarHBondContact O-CA 3.25Å; L526-F553 HydrophobicContact CD1-CD1 3.68Å; L526-F553 HydrophobicContact CD1-CE1 3.91Å; L526-F553 HydrophobicContact CG-CD1 3.79Å; L526-F553 HydrophobicContact CG-CE1 4.04Å; L533-F553 HydrophobicContact CB-CB 3.77Å; L533-F553 HydrophobicContact CB-CD2 3.94Å; L533-F553 HydrophobicContact CB-CG 3.91Å; L533-F553 HydrophobicContact CD1-CD1 4.42Å; L533-F553 HydrophobicContact CD1-CG 4.35Å; L533-F553 HydrophobicContact CD2-CD2 4.47Å; L533-F553 WeakPolarHBondContact O-CB 3.16Å; L533-F553 PolarHBondContact O-N 2.88Å; V536-F553 HydrophobicContact CG2-CD2 4.19Å; V536-F553 HydrophobicContact CG2-CE2 3.87Å; F553-M902 HydrophobicContact CB-CE 3.64Å |
| 554 | C | 93.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.4 | 172.1 | -72.6 | 0 | 0 | 0 | 0 | 110.4 | N523 R524 V525 L526 T901 M902 | N523-C554 HydrophobicContact CB-CB 4.48Å; N523-C554 PolarHBondContact ND2-SG 2.73Å; R524-C554 PolarHBondContact O-N 3.05Å; V525-C554 WeakPolarHBondContact CA-O 3.15Å; L526-C554 PolarHBondContact N-O 2.68Å; L526-C554 VanDerWaalsContact N-O 3.12Å; C554-T901 PolarHBondContact SG-OG1 2.98Å; C554-M902 WeakPolarHBondContact O-CE 3.21Å |
| 555 | I | 92.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 144.2 | 172.4 | -164.5 | 167.5 | 0 | 0 | 0 | 110.1 | S405 L526 A557 S558 T901 P903 | S405-I555 WeakPolarHBondContact OG-CD1 3.32Å; L526-I555 CarbonylContact O-C 3.33Å; L526-I555 WeakPolarHBondContact O-CA 3.24Å; I555-A557 VanDerWaalsContact C-N 3.25Å; I555-A557 HydrophobicContact CG2-CB 4.41Å; I555-A557 PolarHBondContact O-N 3.02Å; I555-S558 WeakPolarHBondContact O-CA 3.38Å; I555-S558 PolarHBondContact O-N 3.46Å; I555-S558 PolarHBondContact O-OG 3.03Å; I555-S558 VanDerWaalsContact O-OG 3.08Å; I555-T901 WeakPolarHBondContact CG2-O 3.39Å; I555-T901 PolarHBondContact N-O 2.84Å; I555-T901 VanDerWaalsContact N-O 3.1Å; I555-P903 HydrophobicContact CD1-CG 3.96Å |
| 556 | A | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -54.3 | -40.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | I438 V441 V442 V525 L526 D527 S558 S559 M562 | I438-A556 HydrophobicContact CG2-CB 3.52Å; V441-A556 HydrophobicContact CG1-CB 4.37Å; V442-A556 HydrophobicContact CG2-CB 3.79Å; V525-A556 HydrophobicContact CG1-CB 3.61Å; L526-A556 PolarHBondContact O-N 3.46Å; D527-A556 HydrophobicContact CB-CB 4.1Å; A556-S558 PolarHBondContact O-N 2.89Å; A556-S558 VanDerWaalsContact O-N 3.16Å; A556-S559 WeakPolarHBondContact O-CB 3.42Å; A556-S559 PolarHBondContact O-N 3.13Å; A556-S559 VanDerWaalsContact O-N 3.09Å; A556-S559 PolarHBondContact O-OG 3.06Å; A556-M562 WeakPolarHBondContact O-CB 3.26Å |
| 557 | A | 91.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -57.5 | -26.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I555 G629 P630 F631 | I555-A557 VanDerWaalsContact C-N 3.25Å; I555-A557 HydrophobicContact CG2-CB 4.41Å; I555-A557 PolarHBondContact O-N 3.02Å; A557-G629 VanDerWaalsContact CB-O 3.26Å; A557-G629 WeakPolarHBondContact CB-O 3.14Å; A557-P630 CarbonylContact O-C 3.56Å; A557-P630 WeakPolarHBondContact O-CA 3.48Å; A557-F631 HydrophobicContact CB-CB 4.3Å; A557-F631 WeakPolarHBondContact O-CB 3.48Å; A557-F631 PolarHBondContact O-N 3.17Å |
| 558 | S | 91 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -98.8 | 8.8 | -178.9 | 92 | 0 | 0 | 0 | 0 | 113.1 | I555 A556 I634 Y886 T901 | I555-S558 WeakPolarHBondContact O-CA 3.38Å; I555-S558 PolarHBondContact O-N 3.46Å; I555-S558 PolarHBondContact O-OG 3.03Å; I555-S558 VanDerWaalsContact O-OG 3.08Å; A556-S558 PolarHBondContact O-N 2.89Å; A556-S558 VanDerWaalsContact O-N 3.16Å; S558-I634 WeakPolarHBondContact O-CD1 3.42Å; S558-Y886 PolarHBondContact O-OH 2.83Å; S558-T901 PolarHBondContact OG-O 2.67Å |
| 559 | S | 93.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 6% | 0.056 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -80.5 | 150.7 | 177.7 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | V441 A556 L561 M562 V563 | V441-S559 VanDerWaalsContact CG1-OG 3.28Å; V441-S559 WeakPolarHBondContact CG1-OG 3.34Å; A556-S559 WeakPolarHBondContact O-CB 3.42Å; A556-S559 PolarHBondContact O-N 3.13Å; A556-S559 VanDerWaalsContact O-N 3.09Å; A556-S559 PolarHBondContact O-OG 3.06Å; S559-L561 PolarHBondContact O-N 3.19Å; S559-M562 PolarHBondContact O-N 3.18Å; S559-M562 PolarHBondContact OG-N 3.34Å; S559-M562 VanDerWaalsContact OG-N 3.16Å; S559-V563 PolarHBondContact O-N 3.03Å |
| 560 | E | 95.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -33.6 | 171.9 | -175.3 | 174.4 | -175.1 | 0 | 0 | 111.5 | M562 V563 I564 Y886 A887 G888 A889 | E560-M562 VanDerWaalsContact C-N 3.34Å; E560-M562 PolarHBondContact O-N 3.19Å; E560-V563 PolarHBondContact O-N 2.49Å; E560-V563 VanDerWaalsContact O-N 3.12Å; E560-I564 HydrophobicContact CG-CD1 3.89Å; E560-I564 HydrophobicContact CG-CG1 4.28Å; E560-I564 WeakPolarHBondContact O-CG1 3.49Å; E560-I564 PolarHBondContact O-N 3.48Å; E560-Y886 HydrophobicContact CB-CD1 4.33Å; E560-Y886 HydrophobicContact CB-CD2 4.11Å; E560-Y886 HydrophobicContact CB-CE1 4.43Å; E560-Y886 HydrophobicContact CB-CE2 4.21Å; E560-Y886 HydrophobicContact CB-CG 4.18Å; E560-Y886 HydrophobicContact CG-CD1 4.34Å; E560-Y886 HydrophobicContact CG-CD2 4.02Å; E560-Y886 HydrophobicContact CG-CG 3.87Å; E560-Y886 VanDerWaalsContact OE1-CA 3.22Å; E560-Y886 WeakPolarHBondContact OE1-CA 3.29Å; E560-A887 PolarHBondContact OE1-N 3.48Å; E560-A887 VanDerWaalsContact OE1-N 3.15Å; E560-G888 WeakPolarHBondContact OE1-CA 3.2Å; E560-G888 PolarHBondContact OE1-N 3.13Å; E560-A889 HydrophobicContact CG-CB 4.22Å; E560-A889 PolarHBondContact OE1-N 3.46Å |
| 561 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 175.4 | -67.3 | -174 | 0 | 0 | 0 | 112.9 | V441 A444 A445 I448 W522 S559 V563 I564 L565 L578 I581 V603 | V441-L561 HydrophobicContact CG1-CB 4.09Å; A444-L561 HydrophobicContact CB-CD1 3.63Å; A445-L561 HydrophobicContact CB-CD1 3.79Å; I448-L561 HydrophobicContact CD1-CD1 4.25Å; I448-L561 HydrophobicContact CD1-CD2 4.12Å; W522-L561 HydrophobicContact CH2-CD1 4.47Å; W522-L561 HydrophobicContact CH2-CD2 4.32Å; W522-L561 HydrophobicContact CH2-CG 3.99Å; W522-L561 HydrophobicContact CZ2-CD1 4.46Å; W522-L561 HydrophobicContact CZ2-CG 4.44Å; S559-L561 PolarHBondContact O-N 3.19Å; L561-V563 VanDerWaalsContact C-N 3.25Å; L561-V563 PolarHBondContact O-N 3.19Å; L561-I564 PolarHBondContact O-N 3.4Å; L561-L565 PolarHBondContact O-N 2.89Å; L561-L578 HydrophobicContact CD2-CD2 3.36Å; L561-I581 HydrophobicContact CD2-CD1 3.59Å; L561-V603 HydrophobicContact CD2-CG1 4.25Å |
| 562 | M | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.4 | -177.9 | 57.9 | 70.4 | 0 | 0 | 111.3 | I438 V441 A556 S559 E560 S566 G629 P630 | I438-M562 HydrophobicContact CB-CE 4.46Å; I438-M562 HydrophobicContact CG1-CE 3.8Å; I438-M562 HydrophobicContact CG2-CE 4.48Å; V441-M562 HydrophobicContact CB-CE 4.34Å; V441-M562 HydrophobicContact CG1-CE 4.43Å; V441-M562 HydrophobicContact CG2-CE 3.87Å; A556-M562 WeakPolarHBondContact O-CB 3.26Å; S559-M562 PolarHBondContact O-N 3.18Å; S559-M562 PolarHBondContact OG-N 3.34Å; S559-M562 VanDerWaalsContact OG-N 3.16Å; E560-M562 VanDerWaalsContact C-N 3.34Å; E560-M562 PolarHBondContact O-N 3.19Å; M562-S566 PolarHBondContact O-N 2.85Å; M562-S566 VanDerWaalsContact O-N 3.12Å; M562-G629 PolarHBondContact SD-N 3.4Å; M562-P630 HydrophobicContact CG-CB 4.32Å |
| 563 | V | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -74.3 | -35.1 | 178.1 | -161.4 | 0 | 0 | 0 | 0 | 111.7 | S559 E560 L561 L565 S566 M567 P630 A635 Y886 A889 F891 | S559-V563 PolarHBondContact O-N 3.03Å; E560-V563 PolarHBondContact O-N 2.49Å; E560-V563 VanDerWaalsContact O-N 3.12Å; L561-V563 VanDerWaalsContact C-N 3.25Å; L561-V563 PolarHBondContact O-N 3.19Å; V563-L565 VanDerWaalsContact C-N 3.35Å; V563-S566 WeakPolarHBondContact CA-OG 3.37Å; V563-S566 PolarHBondContact O-N 3.41Å; V563-S566 PolarHBondContact O-OG 3.06Å; V563-M567 HydrophobicContact CG1-CG 4.01Å; V563-M567 VanDerWaalsContact O-CB 3.25Å; V563-M567 WeakPolarHBondContact O-CB 3.3Å; V563-M567 WeakPolarHBondContact O-CG 3.25Å; V563-M567 PolarHBondContact O-N 3.36Å; V563-P630 HydrophobicContact CG2-CB 4.13Å; V563-A635 HydrophobicContact CG1-CB 4.21Å; V563-A635 HydrophobicContact CG2-CB 3.56Å; V563-Y886 HydrophobicContact CG2-CD2 4.37Å; V563-Y886 HydrophobicContact CG2-CE2 4.26Å; V563-A889 HydrophobicContact CB-CB 4.08Å; V563-A889 HydrophobicContact CG1-CB 4.06Å; V563-F891 HydrophobicContact CB-CE1 4.42Å; V563-F891 HydrophobicContact CG1-CE1 3.53Å; V563-F891 HydrophobicContact CG1-CZ 3.98Å |
| 564 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 173 | -74.9 | 168.5 | 0 | 0 | 0 | 110.8 | E560 L561 S566 M567 A568 L574 R577 L578 I581 A889 | E560-I564 HydrophobicContact CG-CD1 3.89Å; E560-I564 HydrophobicContact CG-CG1 4.28Å; E560-I564 WeakPolarHBondContact O-CG1 3.49Å; E560-I564 PolarHBondContact O-N 3.48Å; L561-I564 PolarHBondContact O-N 3.4Å; I564-S566 VanDerWaalsContact C-N 3.32Å; I564-S566 PolarHBondContact O-N 2.92Å; I564-M567 PolarHBondContact O-N 2.63Å; I564-A568 WeakPolarHBondContact O-CB 3.31Å; I564-A568 PolarHBondContact O-N 2.89Å; I564-L574 HydrophobicContact CG2-CD1 3.64Å; I564-R577 HydrophobicContact CG1-CB 4.33Å; I564-R577 HydrophobicContact CG2-CB 3.77Å; I564-L578 HydrophobicContact CD1-CD2 4.37Å; I564-L578 HydrophobicContact CG2-CD2 3.95Å; I564-L578 HydrophobicContact CG2-CG 4.2Å; I564-I581 HydrophobicContact CD1-CD1 3.51Å; I564-I581 HydrophobicContact CD1-CG1 3.49Å; I564-I581 VanDerWaalsContact CD1-CG1 3.49Å; I564-A889 HydrophobicContact CG1-CB 4.11Å |
| 565 | L | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.8 | -78.2 | 172.2 | 0 | 0 | 0 | 112.2 | V441 L561 V563 M567 L574 L607 A610 I611 T628 | V441-L565 HydrophobicContact CG2-CD1 3.35Å; L561-L565 PolarHBondContact O-N 2.89Å; V563-L565 VanDerWaalsContact C-N 3.35Å; L565-M567 VanDerWaalsContact C-N 3.29Å; L565-M567 PolarHBondContact O-N 2.81Å; L565-L574 HydrophobicContact CD2-CD1 3.89Å; L565-L574 HydrophobicContact CD2-CD2 4.45Å; L565-L607 HydrophobicContact CD1-CD2 4.14Å; L565-L607 HydrophobicContact CD2-CB 4.29Å; L565-L607 HydrophobicContact CD2-CD1 4.32Å; L565-L607 HydrophobicContact CG-CD1 4.35Å; L565-A610 HydrophobicContact CD1-CB 4.3Å; L565-A610 HydrophobicContact CD2-CB 4.49Å; L565-I611 HydrophobicContact CD2-CB 4.17Å; L565-T628 HydrophobicContact CB-CG2 3.84Å |
| 566 | S | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.5 | -24 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | M562 V563 I564 T628 H636 S640 I641 | M562-S566 PolarHBondContact O-N 2.85Å; M562-S566 VanDerWaalsContact O-N 3.12Å; V563-S566 WeakPolarHBondContact CA-OG 3.37Å; V563-S566 PolarHBondContact O-N 3.41Å; V563-S566 PolarHBondContact O-OG 3.06Å; I564-S566 VanDerWaalsContact C-N 3.32Å; I564-S566 PolarHBondContact O-N 2.92Å; S566-T628 WeakPolarHBondContact CB-OG1 3.48Å; S566-H636 PolarHBondContact OG-NE2 3.22Å; S566-S640 CarbonylContact O-C 3.55Å; S566-S640 WeakPolarHBondContact O-CA 3.33Å; S566-I641 PolarHBondContact O-N 2.89Å |
| 567 | M | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -101.9 | -11.3 | -176.2 | -64.6 | -66.7 | -71 | 0 | 0 | 114.1 | V563 I564 L565 R577 I641 I675 K676 A679 | V563-M567 HydrophobicContact CG1-CG 4.01Å; V563-M567 VanDerWaalsContact O-CB 3.25Å; V563-M567 WeakPolarHBondContact O-CB 3.3Å; V563-M567 WeakPolarHBondContact O-CG 3.25Å; V563-M567 PolarHBondContact O-N 3.36Å; I564-M567 PolarHBondContact O-N 2.63Å; L565-M567 VanDerWaalsContact C-N 3.29Å; L565-M567 PolarHBondContact O-N 2.81Å; M567-R577 PolarHBondContact O-NH2 3.21Å; M567-I641 HydrophobicContact CE-CD1 4.45Å; M567-I641 WeakPolarHBondContact O-CD1 3.25Å; M567-I641 HydrophobicContact SD-CD1 4.18Å; M567-I675 HydrophobicContact CE-CG2 3.76Å; M567-K676 HydrophobicContact SD-CB 4.33Å; M567-K676 HydrophobicContact SD-CG 4.38Å; M567-A679 HydrophobicContact CE-CB 3.26Å |
| 568 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -68.8 | 142.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I564 D573 L574 I611 L642 | I564-A568 WeakPolarHBondContact O-CB 3.31Å; I564-A568 PolarHBondContact O-N 2.89Å; A568-D573 WeakPolarHBondContact CA-OD2 3.21Å; A568-L574 HydrophobicContact CB-CB 3.94Å; A568-L574 HydrophobicContact CB-CD1 3.88Å; A568-I611 HydrophobicContact CB-CD1 4.11Å; A568-L642 WeakPolarHBondContact O-CG 3.17Å | ||
| 569 | T | 97.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 25.7 Ų | 25.7 | 31% | 0.307 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -108.4 | -11.3 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | D573 I641 L642 | T569-D573 PolarHBondContact N-OD2 3.16Å; T569-D573 WeakPolarHBondContact OG1-CB 3.34Å; T569-D573 PolarHBondContact OG1-OD2 2.8Å; T569-I641 HydrophobicContact CG2-CG2 3.97Å; T569-L642 VanDerWaalsContact O-CD2 3.24Å; T569-L642 WeakPolarHBondContact O-CD2 3.33Å |
| 570 | S | 97.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 27.4 Ų | 27.4 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -165.5 | 170.7 | 177.5 | 63.9 | 0 | 0 | 0 | 0 | 109.9 | A572 D573 L574 | S570-A572 VanDerWaalsContact C-N 3.27Å; S570-A572 PolarHBondContact O-N 3.33Å; S570-D573 PolarHBondContact O-N 3.16Å; S570-D573 WeakPolarHBondContact OG-CB 3.41Å; S570-D573 PolarHBondContact OG-N 2.75Å; S570-L574 WeakPolarHBondContact O-CB 3.39Å; S570-L574 PolarHBondContact O-N 3.33Å |
| 571 | L | 96.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 26.8 Ų | 26.8 | 45% | 0.445 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.3 | -33.2 | 173.4 | -172.3 | 62 | 0 | 0 | 0 | 112.4 | L574 R575 I611 | L571-L574 HydrophobicContact CD1-CD2 4.06Å; L571-R575 PolarHBondContact O-N 3.27Å; L571-I611 HydrophobicContact CD1-CG2 4.44Å |
| 572 | A | 97.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 28 Ų | 28 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -67.6 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S570 R575 S576 | S570-A572 VanDerWaalsContact C-N 3.27Å; S570-A572 PolarHBondContact O-N 3.33Å; A572-R575 PolarHBondContact O-N 3.45Å; A572-S576 PolarHBondContact O-N 3.13Å |
| 573 | D | 98 | Very high | 97.2 | Very high | 34 Ų | 34 | 28 Ų | 28 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.6 | -177.2 | 35.1 | 0 | 0 | 0 | 111.2 | A568 T569 S570 R575 S576 R577 | A568-D573 WeakPolarHBondContact CA-OD2 3.21Å; T569-D573 PolarHBondContact N-OD2 3.16Å; T569-D573 WeakPolarHBondContact OG1-CB 3.34Å; T569-D573 PolarHBondContact OG1-OD2 2.8Å; S570-D573 PolarHBondContact O-N 3.16Å; S570-D573 WeakPolarHBondContact OG-CB 3.41Å; S570-D573 PolarHBondContact OG-N 2.75Å; D573-R575 PolarHBondContact O-N 3.15Å; D573-S576 WeakPolarHBondContact O-CB 3.32Å; D573-S576 PolarHBondContact O-N 3.15Å; D573-R577 VanDerWaalsContact CG-NE 3.32Å; D573-R577 WeakPolarHBondContact O-CB 3.45Å; D573-R577 VanDerWaalsContact O-CG 3.31Å; D573-R577 WeakPolarHBondContact O-CG 3.34Å; D573-R577 PolarHBondContact O-N 2.94Å; D573-R577 IonicContact OD1-CZ 3.91Å; D573-R577 IonicContact OD1-NE 2.67Å; D573-R577 PolarHBondContact OD1-NE 2.92Å; D573-R577 IonicContact OD1-NH2 3.19Å; D573-R577 IonicContact OD2-CZ 3Å; D573-R577 IonicContact OD2-NE 3.67Å; D573-R577 PolarHBondContact OD2-NE 2.61Å; D573-R577 IonicContact OD2-NH2 3.18Å |
| 574 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.5 | -53.7 | 173.5 | -177.4 | 74.4 | 0 | 0 | 0 | 111 | I564 L565 A568 S570 L571 S576 R577 L578 L607 I611 | I564-L574 HydrophobicContact CG2-CD1 3.64Å; L565-L574 HydrophobicContact CD2-CD1 3.89Å; L565-L574 HydrophobicContact CD2-CD2 4.45Å; A568-L574 HydrophobicContact CB-CB 3.94Å; A568-L574 HydrophobicContact CB-CD1 3.88Å; S570-L574 WeakPolarHBondContact O-CB 3.39Å; S570-L574 PolarHBondContact O-N 3.33Å; L571-L574 HydrophobicContact CD1-CD2 4.06Å; L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 3.4Å; L574-R577 PolarHBondContact O-N 2.86Å; L574-L578 HydrophobicContact CD1-CD1 4.42Å; L574-L578 HydrophobicContact CD1-CG 4.41Å; L574-L578 HydrophobicContact CD2-CD1 4.24Å; L574-L578 HydrophobicContact CG-CD1 3.86Å; L574-L578 HydrophobicContact CG-CG 4.23Å; L574-L578 WeakPolarHBondContact O-CB 3.1Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 3.38Å; L574-L607 HydrophobicContact CD2-CB 4.2Å; L574-I611 HydrophobicContact CB-CD1 3.64Å; L574-I611 HydrophobicContact CD1-CD1 4.26Å; L574-I611 HydrophobicContact CD2-CB 4.28Å; L574-I611 HydrophobicContact CD2-CD1 3.73Å; L574-I611 HydrophobicContact CG-CD1 4.06Å |
| 575 | R | 97.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 30.2 Ų | 30.2 | 37% | 0.366 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.8 | -41.2 | -179.9 | -172.8 | -168.5 | 169 | -70.5 | -6.1 | 111.7 | L571 A572 D573 G579 T600 | L571-R575 PolarHBondContact O-N 3.27Å; A572-R575 PolarHBondContact O-N 3.45Å; D573-R575 PolarHBondContact O-N 3.15Å; R575-G579 PolarHBondContact O-N 3.06Å; R575-T600 HydrophobicContact CG-CG2 4.2Å |
| 576 | S | 97.6 | Very high | 97 | Very high | 77 Ų | 77 | 31.6 Ų | 31.6 | 54% | 0.538 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | A572 D573 L574 L578 G579 A580 | A572-S576 PolarHBondContact O-N 3.13Å; D573-S576 WeakPolarHBondContact O-CB 3.32Å; D573-S576 PolarHBondContact O-N 3.15Å; L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 3.4Å; S576-L578 PolarHBondContact O-N 3.41Å; S576-G579 PolarHBondContact O-N 2.8Å; S576-A580 PolarHBondContact O-N 3.37Å |
| 577 | R | 97.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 15% | 0.151 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 177 | -71.4 | 173.9 | 179.1 | -82.8 | 3.5 | 112.3 | I564 M567 D573 L574 G579 A580 I581 G888 A889 | I564-R577 HydrophobicContact CG1-CB 4.33Å; I564-R577 HydrophobicContact CG2-CB 3.77Å; M567-R577 PolarHBondContact O-NH2 3.21Å; D573-R577 VanDerWaalsContact CG-NE 3.32Å; D573-R577 WeakPolarHBondContact O-CB 3.45Å; D573-R577 VanDerWaalsContact O-CG 3.31Å; D573-R577 WeakPolarHBondContact O-CG 3.34Å; D573-R577 PolarHBondContact O-N 2.94Å; D573-R577 IonicContact OD1-CZ 3.91Å; D573-R577 IonicContact OD1-NE 2.67Å; D573-R577 PolarHBondContact OD1-NE 2.92Å; D573-R577 IonicContact OD1-NH2 3.19Å; D573-R577 IonicContact OD2-CZ 3Å; D573-R577 IonicContact OD2-NE 3.67Å; D573-R577 PolarHBondContact OD2-NE 2.61Å; D573-R577 IonicContact OD2-NH2 3.18Å; L574-R577 PolarHBondContact O-N 2.86Å; R577-G579 VanDerWaalsContact C-N 3.3Å; R577-G579 PolarHBondContact O-N 3.33Å; R577-A580 PolarHBondContact O-N 3.45Å; R577-I581 PolarHBondContact O-N 3.5Å; R577-G888 VanDerWaalsContact CB-O 3.28Å; R577-G888 WeakPolarHBondContact CB-O 3.48Å; R577-G888 WeakPolarHBondContact CG-O 3.12Å; R577-G888 WeakPolarHBondContact O-CA 3.34Å; R577-A889 PolarHBondContact NH1-O 3.34Å |
| 578 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 176.2 | -72.6 | 174.8 | 0 | 0 | 0 | 111.3 | L561 I564 L574 S576 A580 I581 T594 T600 V603 A604 L607 | L561-L578 HydrophobicContact CD2-CD2 3.36Å; I564-L578 HydrophobicContact CD1-CD2 4.37Å; I564-L578 HydrophobicContact CG2-CD2 3.95Å; I564-L578 HydrophobicContact CG2-CG 4.2Å; L574-L578 HydrophobicContact CD1-CD1 4.42Å; L574-L578 HydrophobicContact CD1-CG 4.41Å; L574-L578 HydrophobicContact CD2-CD1 4.24Å; L574-L578 HydrophobicContact CG-CD1 3.86Å; L574-L578 HydrophobicContact CG-CG 4.23Å; L574-L578 WeakPolarHBondContact O-CB 3.1Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 3.38Å; S576-L578 PolarHBondContact O-N 3.41Å; L578-A580 VanDerWaalsContact C-N 3.3Å; L578-A580 PolarHBondContact O-N 2.76Å; L578-I581 HydrophobicContact CD2-CD1 4.11Å; L578-I581 WeakPolarHBondContact O-CD1 3.12Å; L578-I581 VanDerWaalsContact O-CG1 3.3Å; L578-I581 WeakPolarHBondContact O-CG1 3.47Å; L578-I581 PolarHBondContact O-N 3.2Å; L578-T594 WeakPolarHBondContact O-CB 3.26Å; L578-T594 PolarHBondContact O-OG1 3.08Å; L578-T600 HydrophobicContact CB-CG2 3.92Å; L578-V603 HydrophobicContact CD1-CG1 3.9Å; L578-V603 HydrophobicContact CD2-CG1 3.78Å; L578-V603 HydrophobicContact CG-CG1 4.35Å; L578-A604 HydrophobicContact CD1-CB 3.96Å; L578-L607 HydrophobicContact CD1-CD1 4.28Å; L578-L607 HydrophobicContact CD2-CD1 4.07Å |
| 579 | G | 96.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.3 | -21.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | R575 S576 R577 T593 T594 D595 | R575-G579 PolarHBondContact O-N 3.06Å; S576-G579 PolarHBondContact O-N 2.8Å; R577-G579 VanDerWaalsContact C-N 3.3Å; R577-G579 PolarHBondContact O-N 3.33Å; G579-T593 VanDerWaalsContact O-CB 3.26Å; G579-T593 WeakPolarHBondContact O-CB 3.46Å; G579-T593 PolarHBondContact O-OG1 2.87Å; G579-T593 VanDerWaalsContact O-OG1 3.13Å; G579-T594 VanDerWaalsContact CA-OG1 3.3Å; G579-T594 WeakPolarHBondContact CA-OG1 3.39Å; G579-T594 PolarHBondContact O-OG1 2.92Å; G579-D595 VanDerWaalsContact CA-OD1 3.32Å; G579-D595 WeakPolarHBondContact CA-OD1 3.37Å |
| 580 | A | 95.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | S576 R577 L578 V582 | S576-A580 PolarHBondContact O-N 3.37Å; R577-A580 PolarHBondContact O-N 3.45Å; L578-A580 VanDerWaalsContact C-N 3.3Å; L578-A580 PolarHBondContact O-N 2.76Å; A580-V582 PolarHBondContact O-N 2.89Å |
| 581 | I | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -58 | 123.3 | 175.2 | -64.8 | 171 | 0 | 0 | 0 | 109.2 | W522 L561 I564 R577 L578 V583 T593 T594 | W522-I581 HydrophobicContact CE3-CG2 4.02Å; W522-I581 HydrophobicContact CH2-CD1 4.45Å; W522-I581 HydrophobicContact CH2-CG2 4.34Å; W522-I581 HydrophobicContact CZ3-CG2 3.48Å; W522-I581 VanDerWaalsContact CZ3-CG2 3.48Å; L561-I581 HydrophobicContact CD2-CD1 3.59Å; I564-I581 HydrophobicContact CD1-CD1 3.51Å; I564-I581 HydrophobicContact CD1-CG1 3.49Å; I564-I581 VanDerWaalsContact CD1-CG1 3.49Å; R577-I581 PolarHBondContact O-N 3.5Å; L578-I581 HydrophobicContact CD2-CD1 4.11Å; L578-I581 WeakPolarHBondContact O-CD1 3.12Å; L578-I581 VanDerWaalsContact O-CG1 3.3Å; L578-I581 WeakPolarHBondContact O-CG1 3.47Å; L578-I581 PolarHBondContact O-N 3.2Å; I581-V583 HydrophobicContact CG2-CG1 3.93Å; I581-T593 CarbonylContact O-C 3.55Å; I581-T593 WeakPolarHBondContact O-CA 3.34Å; I581-T593 WeakPolarHBondContact O-CB 3.34Å; I581-T594 HydrophobicContact CB-CG2 3.78Å; I581-T594 HydrophobicContact CD1-CG2 4.21Å; I581-T594 HydrophobicContact CG2-CG2 3.98Å; I581-T594 PolarHBondContact O-N 3.14Å; I581-T594 VanDerWaalsContact O-N 3.13Å | ||
| 582 | V | 95 | Very high | 95.7 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.3 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | C521 A580 F585 P591 T593 A887 | C521-V582 PolarHBondContact SG-O 3.29Å; A580-V582 PolarHBondContact O-N 2.89Å; V582-F585 HydrophobicContact CG1-CE2 4.27Å; V582-F585 HydrophobicContact CG1-CZ 4.18Å; V582-P591 HydrophobicContact CG1-CB 3.99Å; V582-P591 HydrophobicContact CG2-CB 4.06Å; V582-T593 HydrophobicContact CG2-CG2 4.33Å; V582-A887 HydrophobicContact CG2-CB 4Å |
| 583 | V | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -24.9 | -176.8 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | I448 I452 C521 W522 I581 V592 T594 L597 | I448-V583 HydrophobicContact CG2-CG1 3.78Å; I452-V583 HydrophobicContact CD1-CB 3.76Å; I452-V583 HydrophobicContact CD1-CG1 4.16Å; I452-V583 HydrophobicContact CD1-CG2 4.33Å; I452-V583 HydrophobicContact CG1-CB 4.28Å; I452-V583 HydrophobicContact CG1-CG2 4.31Å; C521-V583 PolarHBondContact N-O 3.01Å; C521-V583 VanDerWaalsContact SG-C 3.56Å; C521-V583 PolarHBondContact SG-O 3.1Å; C521-V583 VanDerWaalsContact SG-O 3.42Å; W522-V583 HydrophobicContact CB-CB 4.38Å; W522-V583 HydrophobicContact CD2-CG1 4.34Å; W522-V583 HydrophobicContact CE3-CG1 4.03Å; W522-V583 PolarHBondContact N-O 3.46Å; I581-V583 HydrophobicContact CG2-CG1 3.93Å; V583-V592 HydrophobicContact CG2-CG1 4.16Å; V583-V592 VanDerWaalsContact CG2-O 3.25Å; V583-V592 WeakPolarHBondContact CG2-O 3.39Å; V583-V592 PolarHBondContact N-O 3.46Å; V583-T594 HydrophobicContact CG1-CG2 3.84Å; V583-L597 HydrophobicContact CG1-CD1 4.39Å; V583-L597 HydrophobicContact CG2-CD1 3.81Å; V583-L597 HydrophobicContact CG2-CG 4.35Å |
| 584 | A | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -179.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | I515 I520 V592 | I515-A584 HydrophobicContact CG2-CB 3.8Å; I520-A584 HydrophobicContact CB-CB 4.47Å; I520-A584 HydrophobicContact CG1-CB 3.96Å; A584-V592 HydrophobicContact CB-CB 4.46Å; A584-V592 PolarHBondContact O-N 3.14Å |
| 585 | F | 95 | Very high | 95.6 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.4 | 165.4 | -65.6 | -94.2 | 0 | 0 | 0 | 109.9 | D516 S519 V582 G589 A590 P591 L847 | D516-F585 PolarHBondContact N-O 2.96Å; S519-F585 PolarHBondContact OG-N 2.95Å; S519-F585 PolarHBondContact OG-O 2.84Å; V582-F585 HydrophobicContact CG1-CE2 4.27Å; V582-F585 HydrophobicContact CG1-CZ 4.18Å; F585-G589 WeakPolarHBondContact CD1-O 3.3Å; F585-A590 CarbonylContact C-O 3.59Å; F585-A590 VanDerWaalsContact CA-O 3.29Å; F585-A590 WeakPolarHBondContact CA-O 3.23Å; F585-P591 HydrophobicContact CD1-CB 4.34Å; F585-P591 HydrophobicContact CE1-CB 4.07Å; F585-L847 HydrophobicContact CE1-CD1 3.98Å; F585-L847 HydrophobicContact CZ-CD1 4.19Å |
| 586 | D | 95.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 38 Ų | 38 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 170 | 169.8 | 74.8 | 11.4 | 0 | 0 | 0 | 110.7 | L513 D514 K588 G589 A590 V592 | L513-D586 WeakPolarHBondContact O-CB 3.36Å; D514-D586 HydrophobicContact CB-CB 4.47Å; D514-D586 CarbonylContact O-C 3.52Å; D514-D586 VanDerWaalsContact O-CA 3.22Å; D514-D586 WeakPolarHBondContact O-CA 3.4Å; D586-K588 PolarHBondContact O-N 3.31Å; D586-K588 VanDerWaalsContact OD1-C 3.23Å; D586-K588 VanDerWaalsContact OD1-CA 3.23Å; D586-K588 WeakPolarHBondContact OD1-CA 3.42Å; D586-K588 WeakPolarHBondContact OD1-CB 3.01Å; D586-K588 PolarHBondContact OD1-N 3.32Å; D586-G589 PolarHBondContact O-N 3.09Å; D586-G589 PolarHBondContact OD1-N 2.89Å; D586-A590 PolarHBondContact N-O 3.34Å; D586-A590 PolarHBondContact OD1-N 3.42Å; D586-A590 WeakPolarHBondContact OD2-CB 3.44Å; D586-V592 HydrophobicContact CB-CG2 4.09Å |
| 587 | K | 94.9 | Very high | 95.5 | Very high | 147 Ų | 147 | 35.3 Ų | 35.3 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -12.1 | 176.5 | -70.4 | 171.1 | -176.1 | 172.2 | 0 | 114.4 | D514 D516 | D514-K587 WeakPolarHBondContact O-CG 3.33Å; D514-K587 PolarHBondContact O-N 3.49Å; D516-K587 HydrophobicContact CB-CG 4.2Å |
| 588 | K | 91.9 | Very high | 95.4 | Very high | 180 Ų | 180 | 35.2 Ų | 35.2 | 78% | 0.783 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.6 | 175.7 | -58 | 177.7 | -175.5 | 171.7 | 0 | 112 | D586 | D586-K588 PolarHBondContact O-N 3.31Å; D586-K588 VanDerWaalsContact OD1-C 3.23Å; D586-K588 VanDerWaalsContact OD1-CA 3.23Å; D586-K588 WeakPolarHBondContact OD1-CA 3.42Å; D586-K588 WeakPolarHBondContact OD1-CB 3.01Å; D586-K588 PolarHBondContact OD1-N 3.32Å |
| 589 | G | 89.6 | Confident | 95.4 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 81.3 | 12.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F585 D586 | F585-G589 WeakPolarHBondContact CD1-O 3.3Å; D586-G589 PolarHBondContact O-N 3.09Å; D586-G589 PolarHBondContact OD1-N 2.89Å |
| 590 | A | 91.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 144.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F585 D586 V592 | F585-A590 CarbonylContact C-O 3.59Å; F585-A590 VanDerWaalsContact CA-O 3.29Å; F585-A590 WeakPolarHBondContact CA-O 3.23Å; D586-A590 PolarHBondContact N-O 3.34Å; D586-A590 PolarHBondContact OD1-N 3.42Å; D586-A590 WeakPolarHBondContact OD2-CB 3.44Å; A590-V592 PolarHBondContact O-N 3.31Å |
| 591 | P | 93.8 | Very high | 95.5 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.3 | -178.2 | 28.8 | -34.7 | 0 | 0 | 0 | 111.4 | V582 F585 L847 | V582-P591 HydrophobicContact CG1-CB 3.99Å; V582-P591 HydrophobicContact CG2-CB 4.06Å; F585-P591 HydrophobicContact CD1-CB 4.34Å; F585-P591 HydrophobicContact CE1-CB 4.07Å; P591-L847 HydrophobicContact CG-CD2 4.04Å |
| 592 | V | 96.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.2 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L513 I515 V583 A584 D586 A590 D596 | L513-V592 HydrophobicContact CB-CG1 4.32Å; L513-V592 HydrophobicContact CD1-CG1 3.73Å; L513-V592 HydrophobicContact CG-CG1 4.46Å; I515-V592 HydrophobicContact CD1-CG1 4.25Å; I515-V592 HydrophobicContact CG1-CB 4.47Å; I515-V592 HydrophobicContact CG1-CG1 4.1Å; I515-V592 HydrophobicContact CG1-CG2 4.16Å; V583-V592 HydrophobicContact CG2-CG1 4.16Å; V583-V592 VanDerWaalsContact CG2-O 3.25Å; V583-V592 WeakPolarHBondContact CG2-O 3.39Å; V583-V592 PolarHBondContact N-O 3.46Å; A584-V592 HydrophobicContact CB-CB 4.46Å; A584-V592 PolarHBondContact O-N 3.14Å; D586-V592 HydrophobicContact CB-CG2 4.09Å; A590-V592 PolarHBondContact O-N 3.31Å; V592-D596 HydrophobicContact CG1-CB 4.14Å |
| 593 | T | 96.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 167.7 | -179.5 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | G579 I581 V582 D595 D596 L597 | G579-T593 VanDerWaalsContact O-CB 3.26Å; G579-T593 WeakPolarHBondContact O-CB 3.46Å; G579-T593 PolarHBondContact O-OG1 2.87Å; G579-T593 VanDerWaalsContact O-OG1 3.13Å; I581-T593 CarbonylContact O-C 3.55Å; I581-T593 WeakPolarHBondContact O-CA 3.34Å; I581-T593 WeakPolarHBondContact O-CB 3.34Å; V582-T593 HydrophobicContact CG2-CG2 4.33Å; T593-D595 PolarHBondContact O-N 3.11Å; T593-D595 PolarHBondContact OG1-N 3.31Å; T593-D596 PolarHBondContact N-OD2 3.26Å; T593-D596 WeakPolarHBondContact O-CB 3.42Å; T593-D596 PolarHBondContact O-N 2.89Å; T593-D596 PolarHBondContact OG1-N 3.02Å; T593-D596 PolarHBondContact OG1-OD2 3.38Å; T593-L597 PolarHBondContact O-N 2.84Å |
| 594 | T | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.7 | -33.6 | 168.3 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | I448 L578 G579 I581 V583 D596 L597 G598 V599 T600 | I448-T594 HydrophobicContact CD1-CG2 3.9Å; I448-T594 HydrophobicContact CG1-CG2 4.21Å; I448-T594 HydrophobicContact CG2-CG2 4.17Å; L578-T594 WeakPolarHBondContact O-CB 3.26Å; L578-T594 PolarHBondContact O-OG1 3.08Å; G579-T594 VanDerWaalsContact CA-OG1 3.3Å; G579-T594 WeakPolarHBondContact CA-OG1 3.39Å; G579-T594 PolarHBondContact O-OG1 2.92Å; I581-T594 HydrophobicContact CB-CG2 3.78Å; I581-T594 HydrophobicContact CD1-CG2 4.21Å; I581-T594 HydrophobicContact CG2-CG2 3.98Å; I581-T594 PolarHBondContact O-N 3.14Å; I581-T594 VanDerWaalsContact O-N 3.13Å; V583-T594 HydrophobicContact CG1-CG2 3.84Å; T594-D596 VanDerWaalsContact C-N 3.35Å; T594-L597 WeakPolarHBondContact O-CB 3.46Å; T594-L597 PolarHBondContact O-N 3.45Å; T594-G598 PolarHBondContact O-N 2.77Å; T594-V599 HydrophobicContact CG2-CG1 4.3Å; T594-V599 PolarHBondContact O-N 3.09Å; T594-T600 VanDerWaalsContact C-OG1 3.24Å; T594-T600 PolarHBondContact O-OG1 2.9Å |
| 595 | D | 96.8 | Very high | 95.9 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 172 | -102.1 | 20.5 | 0 | 0 | 0 | 111.1 | G579 T593 L597 G598 T600 | G579-D595 VanDerWaalsContact CA-OD1 3.32Å; G579-D595 WeakPolarHBondContact CA-OD1 3.37Å; T593-D595 PolarHBondContact O-N 3.11Å; T593-D595 PolarHBondContact OG1-N 3.31Å; D595-L597 VanDerWaalsContact C-N 3.32Å; D595-L597 PolarHBondContact O-N 2.52Å; D595-G598 PolarHBondContact O-N 2.83Å; D595-G598 VanDerWaalsContact O-N 3.1Å; D595-T600 WeakPolarHBondContact CA-OG1 3.46Å; D595-T600 PolarHBondContact N-OG1 3.23Å; D595-T600 WeakPolarHBondContact OD1-CB 3.35Å; D595-T600 WeakPolarHBondContact OD1-CG2 3.19Å; D595-T600 PolarHBondContact OD1-OG1 3.49Å |
| 596 | D | 97 | Very high | 96.1 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 174.6 | -63.3 | -47 | 0 | 0 | 0 | 112.5 | R488 K491 L513 V592 T593 T594 G598 | R488-D596 WeakPolarHBondContact CD-OD1 3.19Å; R488-D596 IonicContact CZ-OD1 3.68Å; R488-D596 IonicContact NE-OD1 2.67Å; R488-D596 VanDerWaalsContact NH1-CG 3.3Å; R488-D596 IonicContact NH1-OD1 3.34Å; R488-D596 PolarHBondContact NH1-OD1 3.21Å; R488-D596 IonicContact NH1-OD2 3.59Å; K491-D596 WeakPolarHBondContact CD-OD1 3.48Å; K491-D596 VanDerWaalsContact NZ-CG 3.29Å; K491-D596 IonicContact NZ-OD1 3.29Å; K491-D596 PolarHBondContact NZ-OD1 3.24Å; K491-D596 IonicContact NZ-OD2 2.75Å; K491-D596 PolarHBondContact NZ-OD2 2.74Å; L513-D596 HydrophobicContact CD1-CB 4.17Å; L513-D596 HydrophobicContact CD2-CB 3.82Å; V592-D596 HydrophobicContact CG1-CB 4.14Å; T593-D596 PolarHBondContact N-OD2 3.26Å; T593-D596 WeakPolarHBondContact O-CB 3.42Å; T593-D596 PolarHBondContact O-N 2.89Å; T593-D596 PolarHBondContact OG1-N 3.02Å; T593-D596 PolarHBondContact OG1-OD2 3.38Å; T594-D596 VanDerWaalsContact C-N 3.35Å; D596-G598 PolarHBondContact O-N 2.93Å |
| 597 | L | 96.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.1 | -19.3 | 173.4 | -73.2 | 174.9 | 0 | 0 | 0 | 113.1 | I448 A451 I452 R455 L513 I515 V583 T593 T594 D595 V599 | I448-L597 HydrophobicContact CG2-CD1 4.49Å; A451-L597 HydrophobicContact CB-CD1 4.5Å; I452-L597 HydrophobicContact CG1-CD1 3.65Å; I452-L597 HydrophobicContact CG1-CD2 4.49Å; R455-L597 HydrophobicContact CB-CD2 4.1Å; R455-L597 HydrophobicContact CG-CD2 4.23Å; L513-L597 HydrophobicContact CD1-CD2 3.74Å; L513-L597 HydrophobicContact CD1-CG 4.29Å; I515-L597 HydrophobicContact CD1-CD2 4.2Å; V583-L597 HydrophobicContact CG1-CD1 4.39Å; V583-L597 HydrophobicContact CG2-CD1 3.81Å; V583-L597 HydrophobicContact CG2-CG 4.35Å; T593-L597 PolarHBondContact O-N 2.84Å; T594-L597 WeakPolarHBondContact O-CB 3.46Å; T594-L597 PolarHBondContact O-N 3.45Å; D595-L597 VanDerWaalsContact C-N 3.32Å; D595-L597 PolarHBondContact O-N 2.52Å; L597-V599 VanDerWaalsContact C-N 3.31Å; L597-V599 HydrophobicContact CB-CB 4.4Å; L597-V599 HydrophobicContact CB-CG1 4.06Å; L597-V599 HydrophobicContact CD1-CG1 4.35Å |
| 598 | G | 96.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 40 Ų | 40 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 13.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | T594 D595 D596 | T594-G598 PolarHBondContact O-N 2.77Å; D595-G598 PolarHBondContact O-N 2.83Å; D595-G598 VanDerWaalsContact O-N 3.1Å; D596-G598 PolarHBondContact O-N 2.93Å |
| 599 | V | 97.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | trans | -99.2 | -16.3 | -170.5 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | L447 I448 A451 T594 L597 G601 G602 V603 | L447-V599 HydrophobicContact CD1-CG2 4.48Å; L447-V599 HydrophobicContact CD2-CG2 4Å; L447-V599 HydrophobicContact CG-CG2 3.8Å; I448-V599 HydrophobicContact CG1-CG1 4.03Å; A451-V599 HydrophobicContact CB-CB 4.25Å; A451-V599 HydrophobicContact CB-CG2 4.08Å; T594-V599 HydrophobicContact CG2-CG1 4.3Å; T594-V599 PolarHBondContact O-N 3.09Å; L597-V599 VanDerWaalsContact C-N 3.31Å; L597-V599 HydrophobicContact CB-CB 4.4Å; L597-V599 HydrophobicContact CB-CG1 4.06Å; L597-V599 HydrophobicContact CD1-CG1 4.35Å; V599-G601 VanDerWaalsContact C-N 3.27Å; V599-G601 PolarHBondContact O-N 2.83Å; V599-G601 VanDerWaalsContact O-N 3.13Å; V599-G602 PolarHBondContact O-N 3.1Å; V599-V603 HydrophobicContact CG1-CG2 4.25Å; V599-V603 HydrophobicContact CG2-CG2 4.12Å; V599-V603 WeakPolarHBondContact O-CG2 2.93Å; V599-V603 PolarHBondContact O-N 3.19Å | ||
| 600 | T | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.3 | -41.8 | -174.8 | -53.5 | 0 | 0 | 0 | 0 | 113.8 | R575 L578 T594 D595 V603 A604 | R575-T600 HydrophobicContact CG-CG2 4.2Å; L578-T600 HydrophobicContact CB-CG2 3.92Å; T594-T600 VanDerWaalsContact C-OG1 3.24Å; T594-T600 PolarHBondContact O-OG1 2.9Å; D595-T600 WeakPolarHBondContact CA-OG1 3.46Å; D595-T600 PolarHBondContact N-OG1 3.23Å; D595-T600 WeakPolarHBondContact OD1-CB 3.35Å; D595-T600 WeakPolarHBondContact OD1-CG2 3.19Å; D595-T600 PolarHBondContact OD1-OG1 3.49Å; T600-V603 PolarHBondContact O-N 3.42Å; T600-A604 WeakPolarHBondContact O-CB 3.22Å; T600-A604 PolarHBondContact O-N 3.03Å |
| 601 | G | 97.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 30.4 Ų | 30.4 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V599 A604 V605 | V599-G601 VanDerWaalsContact C-N 3.27Å; V599-G601 PolarHBondContact O-N 2.83Å; V599-G601 VanDerWaalsContact O-N 3.13Å; G601-A604 PolarHBondContact O-N 3.39Å; G601-V605 VanDerWaalsContact O-CG2 3.31Å; G601-V605 WeakPolarHBondContact O-CG2 3.39Å; G601-V605 PolarHBondContact O-N 3.45Å |
| 602 | G | 97.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V599 V605 L606 | V599-G602 PolarHBondContact O-N 3.1Å; G602-V605 PolarHBondContact O-N 3.22Å; G602-L606 WeakPolarHBondContact O-CG 3.47Å; G602-L606 PolarHBondContact O-N 2.79Å; G602-L606 VanDerWaalsContact O-N 3.07Å |
| 603 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175 | 176 | 0 | 0 | 0 | 0 | 111.2 | A444 L447 I448 L561 L578 V599 T600 V605 L606 L607 | A444-V603 HydrophobicContact CB-CG1 4.12Å; L447-V603 HydrophobicContact CD2-CG2 4.5Å; I448-V603 HydrophobicContact CD1-CG1 4.31Å; I448-V603 HydrophobicContact CD1-CG2 3.85Å; I448-V603 HydrophobicContact CG1-CG2 3.55Å; L561-V603 HydrophobicContact CD2-CG1 4.25Å; L578-V603 HydrophobicContact CD1-CG1 3.9Å; L578-V603 HydrophobicContact CD2-CG1 3.78Å; L578-V603 HydrophobicContact CG-CG1 4.35Å; V599-V603 HydrophobicContact CG1-CG2 4.25Å; V599-V603 HydrophobicContact CG2-CG2 4.12Å; V599-V603 WeakPolarHBondContact O-CG2 2.93Å; V599-V603 PolarHBondContact O-N 3.19Å; T600-V603 PolarHBondContact O-N 3.42Å; V603-V605 VanDerWaalsContact C-N 3.29Å; V603-V605 PolarHBondContact O-N 3.21Å; V603-L606 PolarHBondContact O-N 2.83Å; V603-L607 HydrophobicContact CG1-CD1 4.13Å; V603-L607 WeakPolarHBondContact O-CG 3.44Å; V603-L607 PolarHBondContact O-N 2.88Å; V603-L607 VanDerWaalsContact O-N 3.08Å |
| 604 | A | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L578 T600 G601 L607 K608 | L578-A604 HydrophobicContact CD1-CB 3.96Å; T600-A604 WeakPolarHBondContact O-CB 3.22Å; T600-A604 PolarHBondContact O-N 3.03Å; G601-A604 PolarHBondContact O-N 3.39Å; A604-L607 CarbonylContact O-C 3.49Å; A604-L607 PolarHBondContact O-N 3.02Å; A604-K608 PolarHBondContact O-N 3.13Å |
| 605 | V | 98.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 29.2 Ų | 29.2 | 66% | 0.655 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.5 | -45.7 | 174.2 | 168 | 0 | 0 | 0 | 0 | 111.2 | G601 G602 V603 L607 K608 | G601-V605 VanDerWaalsContact O-CG2 3.31Å; G601-V605 WeakPolarHBondContact O-CG2 3.39Å; G601-V605 PolarHBondContact O-N 3.45Å; G602-V605 PolarHBondContact O-N 3.22Å; V603-V605 VanDerWaalsContact C-N 3.29Å; V603-V605 PolarHBondContact O-N 3.21Å; V605-L607 PolarHBondContact O-N 3.37Å; V605-K608 VanDerWaalsContact O-CB 3.31Å; V605-K608 WeakPolarHBondContact O-CB 3.43Å; V605-K608 PolarHBondContact O-N 3.42Å |
| 606 | L | 98.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 27.3 Ų | 27.3 | 38% | 0.377 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62 | -30.5 | 177 | -70.1 | 172.9 | 0 | 0 | 0 | 112.5 | A443 A444 L447 G602 V603 | A443-L606 HydrophobicContact CB-CD1 4.43Å; A444-L606 HydrophobicContact CB-CB 4.29Å; A444-L606 HydrophobicContact CB-CD1 4.28Å; L447-L606 HydrophobicContact CB-CD1 4.34Å; L447-L606 HydrophobicContact CD2-CD1 3.74Å; G602-L606 WeakPolarHBondContact O-CG 3.47Å; G602-L606 PolarHBondContact O-N 2.79Å; G602-L606 VanDerWaalsContact O-N 3.07Å; V603-L606 PolarHBondContact O-N 2.83Å |
| 607 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 3 | -178.6 | -62.7 | -176 | 0 | 0 | 0 | 114.1 | A440 V441 A444 L565 L574 L578 V603 A604 V605 D609 A610 I611 | A440-L607 HydrophobicContact CB-CD2 4.12Å; V441-L607 HydrophobicContact CG2-CD2 4.2Å; A444-L607 HydrophobicContact CB-CD1 4.38Å; A444-L607 HydrophobicContact CB-CD2 3.95Å; A444-L607 HydrophobicContact CB-CG 4.06Å; L565-L607 HydrophobicContact CD1-CD2 4.14Å; L565-L607 HydrophobicContact CD2-CB 4.29Å; L565-L607 HydrophobicContact CD2-CD1 4.32Å; L565-L607 HydrophobicContact CG-CD1 4.35Å; L574-L607 HydrophobicContact CD2-CB 4.2Å; L578-L607 HydrophobicContact CD1-CD1 4.28Å; L578-L607 HydrophobicContact CD2-CD1 4.07Å; V603-L607 HydrophobicContact CG1-CD1 4.13Å; V603-L607 WeakPolarHBondContact O-CG 3.44Å; V603-L607 PolarHBondContact O-N 2.88Å; V603-L607 VanDerWaalsContact O-N 3.08Å; A604-L607 CarbonylContact O-C 3.49Å; A604-L607 PolarHBondContact O-N 3.02Å; V605-L607 PolarHBondContact O-N 3.37Å; L607-D609 VanDerWaalsContact C-N 3.28Å; L607-D609 PolarHBondContact O-N 3.29Å; L607-A610 HydrophobicContact CD2-CB 4.22Å; L607-A610 PolarHBondContact O-N 3.08Å; L607-I611 PolarHBondContact O-N 2.84Å; L607-I611 VanDerWaalsContact O-N 3.15Å |
| 608 | K | 97.7 | Very high | 98 | Very high | 125 Ų | 125 | 26 Ų | 26 | 54% | 0.543 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -39.3 | -175.4 | -178.8 | -161.2 | 166.3 | -159.2 | 0 | 112.7 | A604 V605 I611 | A604-K608 PolarHBondContact O-N 3.13Å; V605-K608 VanDerWaalsContact O-CB 3.31Å; V605-K608 WeakPolarHBondContact O-CB 3.43Å; V605-K608 PolarHBondContact O-N 3.42Å; K608-I611 WeakPolarHBondContact O-CG2 3.39Å |
| 609 | D | 97 | Very high | 98 | Very high | 65 Ų | 65 | 24.2 Ų | 24.2 | 35% | 0.348 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -31.6 | 178.5 | -61.7 | -43.7 | 0 | 0 | 0 | 111.7 | K346 L607 I611 R612 | K346-D609 WeakPolarHBondContact CE-O 3.31Å; K346-D609 PolarHBondContact NZ-O 3.16Å; L607-D609 VanDerWaalsContact C-N 3.28Å; L607-D609 PolarHBondContact O-N 3.29Å; D609-I611 PolarHBondContact O-N 2.93Å; D609-R612 WeakPolarHBondContact O-CB 3.21Å; D609-R612 PolarHBondContact O-N 2.86Å; D609-R612 VanDerWaalsContact O-N 3.1Å; D609-R612 IonicContact OD1-CZ 3.03Å; D609-R612 IonicContact OD1-NE 3.02Å; D609-R612 IonicContact OD1-NH2 3.42Å; D609-R612 PolarHBondContact OD1-NH2 3.34Å |
| 610 | A | 97.9 | Very high | 98 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D437 A440 L565 L607 H627 | D437-A610 HydrophobicContact CB-CB 4Å; D437-A610 WeakPolarHBondContact OD1-CA 3.48Å; A440-A610 HydrophobicContact CB-CB 3.96Å; L565-A610 HydrophobicContact CD1-CB 4.3Å; L565-A610 HydrophobicContact CD2-CB 4.49Å; L607-A610 HydrophobicContact CD2-CB 4.22Å; L607-A610 PolarHBondContact O-N 3.08Å; A610-H627 PolarHBondContact O-NE2 3.49Å |
| 611 | I | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.3 | 173.7 | -175.4 | 160.1 | 0 | 0 | 0 | 113.5 | L349 L565 A568 L571 L574 L607 K608 D609 H627 L642 | L349-I611 HydrophobicContact CD1-CD1 4.48Å; L349-I611 HydrophobicContact CD1-CG1 4.28Å; L565-I611 HydrophobicContact CD2-CB 4.17Å; A568-I611 HydrophobicContact CB-CD1 4.11Å; L571-I611 HydrophobicContact CD1-CG2 4.44Å; L574-I611 HydrophobicContact CB-CD1 3.64Å; L574-I611 HydrophobicContact CD1-CD1 4.26Å; L574-I611 HydrophobicContact CD2-CB 4.28Å; L574-I611 HydrophobicContact CD2-CD1 3.73Å; L574-I611 HydrophobicContact CG-CD1 4.06Å; L607-I611 PolarHBondContact O-N 2.84Å; L607-I611 VanDerWaalsContact O-N 3.15Å; K608-I611 WeakPolarHBondContact O-CG2 3.39Å; D609-I611 PolarHBondContact O-N 2.93Å; I611-H627 VanDerWaalsContact C-CE1 3.45Å; I611-H627 VanDerWaalsContact C-NE2 3.33Å; I611-H627 PolarHBondContact O-CE1 3.1Å; I611-H627 PolarHBondContact O-NE2 2.81Å; I611-L642 HydrophobicContact CD1-CD1 3.74Å; I611-L642 HydrophobicContact CG1-CD1 3.33Å |
| 612 | R | 98.4 | Very high | 98 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 13% | 0.132 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -87.5 | 128.1 | -178.7 | -67.6 | -173.6 | -67.7 | 156.2 | -1.1 | 110 | E338 K346 I347 L349 D609 | E338-R612 IonicContact OE2-CZ 3.82Å; E338-R612 IonicContact OE2-NH1 2.76Å; E338-R612 PolarHBondContact OE2-NH1 3.47Å; E338-R612 IonicContact OE2-NH2 3.21Å; E338-R612 PolarHBondContact OE2-NH2 3.44Å; K346-R612 WeakPolarHBondContact CE-O 3.3Å; K346-R612 PolarHBondContact NZ-O 3.09Å; I347-R612 WeakPolarHBondContact O-CB 3.33Å; L349-R612 HydrophobicContact CG-CG 4.39Å; D609-R612 WeakPolarHBondContact O-CB 3.21Å; D609-R612 PolarHBondContact O-N 2.86Å; D609-R612 VanDerWaalsContact O-N 3.1Å; D609-R612 IonicContact OD1-CZ 3.03Å; D609-R612 IonicContact OD1-NE 3.02Å; D609-R612 IonicContact OD1-NH2 3.42Å; D609-R612 PolarHBondContact OD1-NH2 3.34Å |
| 613 | P | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 151.9 | 174.5 | -23.5 | 34.3 | 0 | 0 | 0 | 113 | I347 L625 H627 A643 I646 | I347-P613 PolarHBondContact N-O 3.16Å; P613-L625 HydrophobicContact CB-CB 4.47Å; P613-L625 HydrophobicContact CB-CD1 4.43Å; P613-H627 HydrophobicContact CB-CB 4.01Å; P613-H627 HydrophobicContact CG-CB 4.43Å; P613-A643 HydrophobicContact CB-CB 4.04Å; P613-A643 HydrophobicContact CG-CB 3.87Å; P613-I646 HydrophobicContact CG-CD1 4.02Å |
| 614 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.9 | 173.8 | -55 | 0 | 0 | 0 | 0 | 110 | K344 A345 K346 L434 T435 M616 L625 V626 | K344-T614 HydrophobicContact CB-CG2 4.08Å; A345-T614 CarbonylContact O-C 3.55Å; A345-T614 WeakPolarHBondContact O-CA 3.46Å; K346-T614 WeakPolarHBondContact CD-OG1 3.35Å; L434-T614 HydrophobicContact CD1-CG2 4.08Å; L434-T614 HydrophobicContact CD2-CG2 4.36Å; L434-T614 HydrophobicContact CG-CG2 4.22Å; T435-T614 HydrophobicContact CG2-CG2 3.75Å; T435-T614 PolarHBondContact OG1-OG1 3.12Å; T614-M616 HydrophobicContact CG2-CG 4.22Å; T614-L625 CarbonylContact O-C 3.48Å; T614-L625 WeakPolarHBondContact O-CA 3.37Å; T614-V626 WeakPolarHBondContact CB-O 3.2Å; T614-V626 PolarHBondContact N-O 3.16Å; T614-V626 PolarHBondContact O-N 2.82Å |
| 615 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129 | 169.5 | -178.7 | 67.3 | 0 | 0 | 0 | 110.1 | I323 I326 A327 I330 L332 K344 A345 I347 P623 L625 | I323-L615 HydrophobicContact CD1-CB 4.45Å; I323-L615 HydrophobicContact CD1-CD2 4.01Å; I323-L615 HydrophobicContact CD1-CG 3.77Å; I323-L615 HydrophobicContact CG1-CD2 4.14Å; I323-L615 HydrophobicContact CG1-CG 4.22Å; I326-L615 HydrophobicContact CG2-CD2 4.39Å; A327-L615 HydrophobicContact CB-CD2 3.98Å; I330-L615 HydrophobicContact CD1-CD1 4.09Å; I330-L615 HydrophobicContact CD1-CD2 4.16Å; L332-L615 HydrophobicContact CD1-CD2 4.1Å; K344-L615 CarbonylContact C-O 3.51Å; K344-L615 WeakPolarHBondContact CA-O 3.44Å; A345-L615 PolarHBondContact N-O 3.1Å; A345-L615 PolarHBondContact O-N 3.2Å; I347-L615 HydrophobicContact CD1-CB 3.7Å; I347-L615 HydrophobicContact CD1-CD2 4.18Å; I347-L615 HydrophobicContact CG1-CB 3.93Å; L615-P623 HydrophobicContact CD1-CB 3.95Å; L615-L625 HydrophobicContact CB-CD2 4.01Å; L615-L625 HydrophobicContact CD1-CD2 3.81Å |
| 616 | M | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | -168.6 | 172 | -65.7 | -162.4 | 73.2 | 0 | 0 | 109.3 | K344 I424 E429 F430 L434 T614 V624 V626 | K344-M616 HydrophobicContact CB-CG 3.9Å; I424-M616 HydrophobicContact CG2-CB 3.93Å; I424-M616 HydrophobicContact CG2-CE 4.19Å; I424-M616 HydrophobicContact CG2-SD 4.16Å; E429-M616 HydrophobicContact CB-CE 4.36Å; F430-M616 HydrophobicContact CB-CE 3.98Å; F430-M616 HydrophobicContact CB-SD 4.03Å; F430-M616 HydrophobicContact CD2-SD 3.88Å; F430-M616 HydrophobicContact CG-SD 4.46Å; L434-M616 HydrophobicContact CD1-CG 4.43Å; L434-M616 HydrophobicContact CD1-SD 3.42Å; L434-M616 WeakPolarHBondContact CD1-SD 3.41Å; T614-M616 HydrophobicContact CG2-CG 4.22Å; M616-V624 PolarHBondContact N-O 3.35Å; M616-V624 PolarHBondContact O-N 2.72Å; M616-V626 HydrophobicContact CB-CG2 4.26Å; M616-V626 HydrophobicContact CG-CG2 4.11Å; M616-V626 HydrophobicContact SD-CG2 4.04Å |
| 617 | Q | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.3 | -174.9 | 70.7 | -167.6 | -75.3 | 0 | 0 | 114 | P320 S321 I326 I424 I425 C622 | P320-Q617 HydrophobicContact CB-CG 4.48Å; S321-Q617 PolarHBondContact O-NE2 3.21Å; I326-Q617 HydrophobicContact CD1-CB 3.52Å; I326-Q617 HydrophobicContact CD1-CG 4.2Å; I424-Q617 WeakPolarHBondContact CA-O 3.39Å; I424-Q617 WeakPolarHBondContact CG2-O 3.03Å; I425-Q617 HydrophobicContact CG1-CG 4.04Å; I425-Q617 PolarHBondContact N-O 2.99Å; Q617-C622 CarbonylContact C-O 3.56Å; Q617-C622 WeakPolarHBondContact CA-O 3.04Å |
| 618 | T | 98 | Very high | 98 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 176.3 | 167.6 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | I383 Q387 Q423 E620 G621 C622 V624 | I383-T618 HydrophobicContact CG2-CG2 3.63Å; Q387-T618 HydrophobicContact CG-CG2 3.92Å; Q423-T618 WeakPolarHBondContact O-CA 3.42Å; T618-E620 VanDerWaalsContact C-N 3.29Å; T618-E620 PolarHBondContact O-N 2.8Å; T618-E620 PolarHBondContact OG1-OE2 2.58Å; T618-G621 PolarHBondContact O-N 2.92Å; T618-C622 HydrophobicContact CG2-CB 4Å; T618-C622 PolarHBondContact N-O 3.3Å; T618-C622 VanDerWaalsContact OG1-CB 3.3Å; T618-C622 WeakPolarHBondContact OG1-CB 3.43Å; T618-C622 PolarHBondContact OG1-N 3.42Å; T618-C622 VanDerWaalsContact OG1-N 3.12Å; T618-V624 HydrophobicContact CG2-CG2 3.69Å |
| 619 | L | 97.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -40.3 | 175.7 | -71 | 165.7 | 0 | 0 | 0 | 113.9 | V302 I314 Q318 Y421 Q423 I425 G621 | V302-L619 HydrophobicContact CG2-CB 3.83Å; I314-L619 HydrophobicContact CG2-CD1 3.65Å; I314-L619 HydrophobicContact CG2-CD2 3.92Å; I314-L619 HydrophobicContact CG2-CG 4.49Å; Q318-L619 HydrophobicContact CB-CD2 3.58Å; Q318-L619 HydrophobicContact CG-CB 4.37Å; Q318-L619 HydrophobicContact CG-CD2 3.8Å; Q318-L619 WeakPolarHBondContact CG-O 3.36Å; Q318-L619 PolarHBondContact NE2-O 2.86Å; Q318-L619 VanDerWaalsContact NE2-O 3.11Å; Y421-L619 HydrophobicContact CD1-CD1 4.3Å; Y421-L619 WeakPolarHBondContact O-CD1 3.29Å; Q423-L619 HydrophobicContact CG-CD1 3.78Å; Q423-L619 HydrophobicContact CG-CD2 4.37Å; Q423-L619 HydrophobicContact CG-CG 3.94Å; Q423-L619 PolarHBondContact O-N 2.91Å; I425-L619 HydrophobicContact CD1-CD2 4.22Å; I425-L619 HydrophobicContact CG2-CD2 3.6Å; I425-L619 HydrophobicContact CG2-CG 4.07Å; L619-G621 VanDerWaalsContact C-N 3.26Å; L619-G621 PolarHBondContact O-N 2.83Å |
| 620 | E | 96.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 2.8 Ų | 2.8 | 5% | 0.047 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.7 | 177.1 | -55.8 | 87.7 | 158.3 | 0 | 0 | 113.3 | I299 R300 V302 Q387 V391 T618 A783 | I299-E620 WeakPolarHBondContact CA-O 3.38Å; I299-E620 HydrophobicContact CG2-CB 4.1Å; R300-E620 PolarHBondContact N-O 2.96Å; V302-E620 HydrophobicContact CG2-CG 3.8Å; Q387-E620 WeakPolarHBondContact CG-OE2 3.34Å; Q387-E620 PolarHBondContact NE2-OE1 2.85Å; Q387-E620 PolarHBondContact NE2-OE2 3.12Å; V391-E620 HydrophobicContact CG2-CB 4.02Å; V391-E620 HydrophobicContact CG2-CG 4.2Å; T618-E620 VanDerWaalsContact C-N 3.29Å; T618-E620 PolarHBondContact O-N 2.8Å; T618-E620 PolarHBondContact OG1-OE2 2.58Å; E620-A783 PolarHBondContact OE1-N 2.82Å |
| 621 | G | 97.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 2% | 0.021 | 2% | 0.024 | C | C | . | . | trans | 81.8 | 21.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T618 L619 | T618-G621 PolarHBondContact O-N 2.92Å; L619-G621 VanDerWaalsContact C-N 3.26Å; L619-G621 PolarHBondContact O-N 2.83Å | ||
| 622 | C | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | trans | -78 | 141.4 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | V386 N390 Q617 T618 | V386-C622 HydrophobicContact CG1-CB 4.27Å; N390-C622 HydrophobicContact CB-CB 4.34Å; Q617-C622 CarbonylContact C-O 3.56Å; Q617-C622 WeakPolarHBondContact CA-O 3.04Å; T618-C622 HydrophobicContact CG2-CB 4Å; T618-C622 PolarHBondContact N-O 3.3Å; T618-C622 VanDerWaalsContact OG1-CB 3.3Å; T618-C622 WeakPolarHBondContact OG1-CB 3.43Å; T618-C622 PolarHBondContact OG1-N 3.42Å; T618-C622 VanDerWaalsContact OG1-N 3.12Å | ||
| 623 | P | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137.1 | -172.9 | 30.5 | -37.9 | 0 | 0 | 0 | 113.1 | W295 I326 I330 A397 I398 G399 L615 | W295-P623 HydrophobicContact CE3-CG 4.42Å; W295-P623 HydrophobicContact CZ3-CG 3.78Å; I326-P623 HydrophobicContact CG2-CB 4.04Å; I330-P623 HydrophobicContact CD1-CB 4.27Å; I330-P623 HydrophobicContact CG2-CB 4.22Å; I330-P623 HydrophobicContact CG2-CG 3.99Å; A397-P623 WeakPolarHBondContact O-CG 3.34Å; I398-P623 HydrophobicContact CG1-CB 4.08Å; I398-P623 HydrophobicContact CG1-CG 3.72Å; G399-P623 PolarHBondContact N-O 2.94Å; L615-P623 HydrophobicContact CD1-CB 3.95Å |
| 624 | V | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.5 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | I383 G399 V401 I424 M616 T618 V626 | I383-V624 HydrophobicContact CD1-CG1 4.42Å; I383-V624 HydrophobicContact CD1-CG2 4.06Å; G399-V624 CarbonylContact O-C 3.58Å; G399-V624 WeakPolarHBondContact O-CA 3.36Å; V401-V624 HydrophobicContact CG2-CG1 3.82Å; I424-V624 HydrophobicContact CD1-CG1 3.69Å; I424-V624 HydrophobicContact CG1-CB 4.49Å; I424-V624 HydrophobicContact CG1-CG1 4.11Å; I424-V624 HydrophobicContact CG1-CG2 4.32Å; M616-V624 PolarHBondContact N-O 3.35Å; M616-V624 PolarHBondContact O-N 2.72Å; T618-V624 HydrophobicContact CG2-CG2 3.69Å; V624-V626 HydrophobicContact CG1-CG2 4.18Å |
| 625 | L | 98.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.6 | 169.6 | -62.1 | -174.1 | 0 | 0 | 0 | 110.3 | I347 I398 G399 C400 V401 P613 T614 L615 A643 I646 A647 | I347-L625 HydrophobicContact CG1-CD2 4.26Å; I398-L625 HydrophobicContact CG2-CB 4.42Å; I398-L625 HydrophobicContact CG2-CD1 4.3Å; I398-L625 HydrophobicContact CG2-CG 3.86Å; G399-L625 PolarHBondContact O-N 3.46Å; C400-L625 WeakPolarHBondContact CA-O 3.39Å; V401-L625 PolarHBondContact N-O 3.47Å; P613-L625 HydrophobicContact CB-CB 4.47Å; P613-L625 HydrophobicContact CB-CD1 4.43Å; T614-L625 CarbonylContact O-C 3.48Å; T614-L625 WeakPolarHBondContact O-CA 3.37Å; L615-L625 HydrophobicContact CB-CD2 4.01Å; L615-L625 HydrophobicContact CD1-CD2 3.81Å; L625-A643 HydrophobicContact CB-CB 4.22Å; L625-A643 HydrophobicContact CD1-CB 4.36Å; L625-A643 WeakPolarHBondContact CD1-O 3.25Å; L625-I646 HydrophobicContact CD1-CB 4.45Å; L625-I646 HydrophobicContact CD1-CG2 4.18Å; L625-A647 HydrophobicContact CD1-CB 4.03Å |
| 626 | V | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.3 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | V401 Q403 F430 L434 T614 M616 V624 | V401-V626 HydrophobicContact CG2-CB 4.44Å; V401-V626 HydrophobicContact CG2-CG1 4.43Å; V401-V626 HydrophobicContact CG2-CG2 3.91Å; Q403-V626 HydrophobicContact CB-CG1 3.99Å; F430-V626 HydrophobicContact CD2-CG1 4.06Å; F430-V626 HydrophobicContact CD2-CG2 3.8Å; F430-V626 HydrophobicContact CE2-CB 4.24Å; F430-V626 HydrophobicContact CE2-CG1 3.57Å; F430-V626 HydrophobicContact CE2-CG2 3.61Å; F430-V626 HydrophobicContact CZ-CG1 4.49Å; L434-V626 HydrophobicContact CD2-CB 4.13Å; L434-V626 HydrophobicContact CD2-CG1 3.69Å; T614-V626 WeakPolarHBondContact CB-O 3.2Å; T614-V626 PolarHBondContact N-O 3.16Å; T614-V626 PolarHBondContact O-N 2.82Å; M616-V626 HydrophobicContact CB-CG2 4.26Å; M616-V626 HydrophobicContact CG-CG2 4.11Å; M616-V626 HydrophobicContact SD-CG2 4.04Å; V624-V626 HydrophobicContact CG1-CG2 4.18Å |
| 627 | H | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | trans | -158.1 | 130.9 | -179.1 | -164.3 | -149.3 | 0 | 0 | 0 | 113.4 | V401 A610 I611 P613 S640 A643 | V401-H627 PolarHBondContact O-N 3.15Å; V401-H627 VanDerWaalsContact O-N 3.11Å; A610-H627 PolarHBondContact O-NE2 3.49Å; I611-H627 VanDerWaalsContact C-CE1 3.45Å; I611-H627 VanDerWaalsContact C-NE2 3.33Å; I611-H627 PolarHBondContact O-CE1 3.1Å; I611-H627 PolarHBondContact O-NE2 2.81Å; P613-H627 HydrophobicContact CB-CB 4.01Å; P613-H627 HydrophobicContact CG-CB 4.43Å; H627-S640 WeakPolarHBondContact ND1-CB 3.23Å; H627-S640 PolarHBondContact ND1-OG 3.26Å; H627-S640 PolarHBondContact O-N 2.83Å; H627-A643 HydrophobicContact CB-CB 4.02Å | ||
| 628 | T | 95.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 5 Ų | 5 | 1% | 0.012 | 3% | 0.026 | C | C | . | . | trans | 58 | 166.7 | -179.8 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | R402 Q403 L565 S566 S640 | R402-T628 CarbonylContact C-O 3.5Å; R402-T628 WeakPolarHBondContact CA-O 3.11Å; R402-T628 WeakPolarHBondContact CB-O 3.25Å; Q403-T628 PolarHBondContact N-O 3.29Å; L565-T628 HydrophobicContact CB-CG2 3.84Å; S566-T628 WeakPolarHBondContact CB-OG1 3.48Å; T628-S640 PolarHBondContact OG1-N 2.86Å | ||
| 629 | G | 91.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 5 Ų | 5 | 4% | 0.041 | 3% | 0.026 | C | C | . | . | trans | -153.7 | 57.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A557 M562 F631 | A557-G629 VanDerWaalsContact CB-O 3.26Å; A557-G629 WeakPolarHBondContact CB-O 3.14Å; M562-G629 PolarHBondContact SD-N 3.4Å; G629-F631 PolarHBondContact O-N 3.19Å | ||
| 630 | P | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -60.4 | 137.4 | 179.2 | 27.7 | -35.4 | 0 | 0 | 0 | 110.3 | R402 A557 M562 V563 A632 A635 S638 | R402-P630 PolarHBondContact NH1-O 3.17Å; A557-P630 CarbonylContact O-C 3.56Å; A557-P630 WeakPolarHBondContact O-CA 3.48Å; M562-P630 HydrophobicContact CG-CB 4.32Å; V563-P630 HydrophobicContact CG2-CB 4.13Å; P630-A632 PolarHBondContact O-N 3.05Å; P630-A635 HydrophobicContact CB-CB 3.85Å; P630-S638 WeakPolarHBondContact CD-O 3.22Å; P630-S638 WeakPolarHBondContact CG-O 3.37Å | ||
| 631 | F | 86.5 | Confident | 93.6 | Very high | 52 Ų | 52 | 4.4 Ų | 4.4 | 23% | 0.228 | 2% | 0.023 | C | C | . | . | trans | -72.6 | 111.9 | -175.8 | -167.2 | -133.4 | 0 | 0 | 0 | 110.6 | A557 G629 N633 I634 A635 | A557-F631 HydrophobicContact CB-CB 4.3Å; A557-F631 WeakPolarHBondContact O-CB 3.48Å; A557-F631 PolarHBondContact O-N 3.17Å; G629-F631 PolarHBondContact O-N 3.19Å; F631-N633 HydrophobicContact CD1-CB 3.98Å; F631-N633 HydrophobicContact CE1-CB 3.79Å; F631-N633 HydrophobicContact CZ-CB 4.35Å; F631-N633 PolarHBondContact O-N 2.85Å; F631-I634 HydrophobicContact CB-CG1 4.42Å; F631-I634 HydrophobicContact CD1-CG1 4.42Å; F631-I634 PolarHBondContact O-N 3.26Å; F631-A635 PolarHBondContact O-N 3.28Å | ||
| 632 | A | 82.9 | Confident | 93.6 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 2% | 0.017 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | P630 I634 A635 F663 K671 | P630-A632 PolarHBondContact O-N 3.05Å; A632-I634 VanDerWaalsContact C-N 3.35Å; A632-A635 CarbonylContact C-O 3.44Å; A632-A635 VanDerWaalsContact O-O 3.06Å; A632-F663 HydrophobicContact CB-CD2 3.7Å; A632-F663 HydrophobicContact CB-CE2 3.72Å; A632-K671 PolarHBondContact O-NZ 2.67Å |
| 633 | N | 82.3 | Confident | 93.6 | Very high | 27 Ų | 27 | 4.3 Ų | 4.3 | 14% | 0.144 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -36.8 | 175.1 | -69.7 | 19.7 | 0 | 0 | 0 | 111.5 | F631 F663 A857 I899 | F631-N633 HydrophobicContact CD1-CB 3.98Å; F631-N633 HydrophobicContact CE1-CB 3.79Å; F631-N633 HydrophobicContact CZ-CB 4.35Å; F631-N633 PolarHBondContact O-N 2.85Å; N633-F663 WeakPolarHBondContact OD1-CE2 3.34Å; N633-A857 WeakPolarHBondContact O-CA 3.42Å; N633-A857 WeakPolarHBondContact O-CB 3.18Å; N633-I899 HydrophobicContact CB-CD1 4.35Å; N633-I899 HydrophobicContact CB-CG2 3.91Å |
| 634 | I | 83.6 | Confident | 93.6 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 1% | 0.01 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -3.9 | -173.9 | 76.5 | 166.1 | 0 | 0 | 0 | 116.3 | S558 F631 A632 Y893 I899 T901 | S558-I634 WeakPolarHBondContact O-CD1 3.42Å; F631-I634 HydrophobicContact CB-CG1 4.42Å; F631-I634 HydrophobicContact CD1-CG1 4.42Å; F631-I634 PolarHBondContact O-N 3.26Å; A632-I634 VanDerWaalsContact C-N 3.35Å; I634-Y893 VanDerWaalsContact CA-CE2 3.44Å; I634-Y893 HydrophobicContact CB-CD2 4.01Å; I634-Y893 HydrophobicContact CB-CE2 3.37Å; I634-Y893 HydrophobicContact CG2-CE2 3.65Å; I634-Y893 WeakPolarHBondContact CG2-OH 3.29Å; I634-Y893 VanDerWaalsContact O-CD2 3.3Å; I634-Y893 WeakPolarHBondContact O-CD2 3.48Å; I634-I899 HydrophobicContact CG2-CG2 3.81Å; I634-T901 HydrophobicContact CD1-CG2 4.1Å; I634-T901 HydrophobicContact CG2-CG2 4.48Å |
| 635 | A | 90.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.008 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -137.1 | -175.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V563 P630 F631 A632 G637 K671 | V563-A635 HydrophobicContact CG1-CB 4.21Å; V563-A635 HydrophobicContact CG2-CB 3.56Å; P630-A635 HydrophobicContact CB-CB 3.85Å; F631-A635 PolarHBondContact O-N 3.28Å; A632-A635 CarbonylContact C-O 3.44Å; A632-A635 VanDerWaalsContact O-O 3.06Å; A635-G637 VanDerWaalsContact C-N 3.26Å; A635-G637 PolarHBondContact O-N 3.42Å; A635-K671 WeakPolarHBondContact O-CD 3.24Å; A635-K671 PolarHBondContact O-NZ 3.29Å |
| 636 | H | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -68.4 | -21.4 | -178.1 | 68.2 | 82.3 | 0 | 0 | 0 | 114.1 | S566 S638 K671 | S566-H636 PolarHBondContact OG-NE2 3.22Å; H636-S638 PolarHBondContact CE1-O 3.23Å; H636-S638 VanDerWaalsContact CE1-O 3.3Å; H636-S638 WeakPolarHBondContact ND1-CB 3.29Å; H636-S638 PolarHBondContact ND1-N 3.44Å; H636-S638 VanDerWaalsContact ND1-N 3.11Å; H636-S638 PolarHBondContact ND1-OG 3.24Å; H636-S638 PolarHBondContact O-N 2.93Å; H636-S638 PolarHBondContact O-OG 2.64Å; H636-K671 HydrophobicContact CB-CB 4.01Å | ||
| 637 | G | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | 73 | 22.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R402 A635 G662 | R402-G637 VanDerWaalsContact CD-O 3.27Å; R402-G637 WeakPolarHBondContact CD-O 3.33Å; R402-G637 PolarHBondContact NE-O 2.81Å; A635-G637 VanDerWaalsContact C-N 3.26Å; A635-G637 PolarHBondContact O-N 3.42Å; G637-G662 PolarHBondContact O-N 3.09Å | ||
| 638 | S | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -114.5 | 167 | -179.5 | -35.3 | 0 | 0 | 0 | 0 | 111 | P630 H636 E660 | P630-S638 WeakPolarHBondContact CD-O 3.22Å; P630-S638 WeakPolarHBondContact CG-O 3.37Å; H636-S638 PolarHBondContact CE1-O 3.23Å; H636-S638 VanDerWaalsContact CE1-O 3.3Å; H636-S638 WeakPolarHBondContact ND1-CB 3.29Å; H636-S638 PolarHBondContact ND1-N 3.44Å; H636-S638 VanDerWaalsContact ND1-N 3.11Å; H636-S638 PolarHBondContact ND1-OG 3.24Å; H636-S638 PolarHBondContact O-N 2.93Å; H636-S638 PolarHBondContact O-OG 2.64Å; S638-E660 WeakPolarHBondContact CB-O 3.25Å |
| 639 | S | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -59.8 | 173 | 167.2 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | D644 T659 K676 | S639-D644 PolarHBondContact OG-OD1 3.35Å; S639-T659 PolarHBondContact OG-OG1 3.42Å; S639-K676 WeakPolarHBondContact O-CE 3.48Å; S639-K676 PolarHBondContact O-NZ 2.91Å | ||
| 640 | S | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -71.4 | 153.9 | -178.4 | 72.4 | 0 | 0 | 0 | 0 | 114 | S566 H627 T628 L642 A643 D644 | S566-S640 CarbonylContact O-C 3.55Å; S566-S640 WeakPolarHBondContact O-CA 3.33Å; H627-S640 WeakPolarHBondContact ND1-CB 3.23Å; H627-S640 PolarHBondContact ND1-OG 3.26Å; H627-S640 PolarHBondContact O-N 2.83Å; T628-S640 PolarHBondContact OG1-N 2.86Å; S640-L642 VanDerWaalsContact C-N 3.31Å; S640-L642 PolarHBondContact O-N 3.45Å; S640-A643 PolarHBondContact O-N 2.9Å; S640-A643 WeakPolarHBondContact OG-CB 3.36Å; S640-A643 PolarHBondContact OG-N 2.87Å; S640-D644 PolarHBondContact O-N 2.82Å; S640-D644 VanDerWaalsContact O-OD2 3.13Å | ||
| 641 | I | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 168.4 | -64.8 | 172.9 | 0 | 0 | 0 | 111.8 | S566 M567 T569 A643 D644 L645 K676 A679 | S566-I641 PolarHBondContact O-N 2.89Å; M567-I641 HydrophobicContact CE-CD1 4.45Å; M567-I641 WeakPolarHBondContact O-CD1 3.25Å; M567-I641 HydrophobicContact SD-CD1 4.18Å; T569-I641 HydrophobicContact CG2-CG2 3.97Å; I641-A643 PolarHBondContact O-N 2.83Å; I641-D644 PolarHBondContact O-N 2.9Å; I641-L645 HydrophobicContact CG2-CD1 3.66Å; I641-L645 HydrophobicContact CG2-CG 4Å; I641-L645 WeakPolarHBondContact O-CB 3.41Å; I641-L645 WeakPolarHBondContact O-CG 3.45Å; I641-L645 PolarHBondContact O-N 2.85Å; I641-K676 HydrophobicContact CD1-CG 4.22Å; I641-K676 HydrophobicContact CG1-CD 4.4Å; I641-K676 HydrophobicContact CG1-CG 3.79Å; I641-A679 HydrophobicContact CD1-CB 3.86Å |
| 642 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | -180 | -81.1 | 168 | 0 | 0 | 0 | 113.4 | L349 L352 A568 T569 I611 S640 L645 I646 | L349-L642 HydrophobicContact CD1-CD1 4.21Å; L349-L642 HydrophobicContact CD2-CD1 4.13Å; L349-L642 HydrophobicContact CD2-CD2 4.06Å; L349-L642 HydrophobicContact CD2-CG 4.5Å; L352-L642 HydrophobicContact CD1-CD2 3.66Å; A568-L642 WeakPolarHBondContact O-CG 3.17Å; T569-L642 VanDerWaalsContact O-CD2 3.24Å; T569-L642 WeakPolarHBondContact O-CD2 3.33Å; I611-L642 HydrophobicContact CD1-CD1 3.74Å; I611-L642 HydrophobicContact CG1-CD1 3.33Å; S640-L642 VanDerWaalsContact C-N 3.31Å; S640-L642 PolarHBondContact O-N 3.45Å; L642-L645 PolarHBondContact O-N 3.34Å; L642-I646 WeakPolarHBondContact O-CB 3.29Å; L642-I646 WeakPolarHBondContact O-CG1 3.26Å; L642-I646 PolarHBondContact O-N 2.84Å |
| 643 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P613 L625 H627 S640 I641 I646 A647 | P613-A643 HydrophobicContact CB-CB 4.04Å; P613-A643 HydrophobicContact CG-CB 3.87Å; L625-A643 HydrophobicContact CB-CB 4.22Å; L625-A643 HydrophobicContact CD1-CB 4.36Å; L625-A643 WeakPolarHBondContact CD1-O 3.25Å; H627-A643 HydrophobicContact CB-CB 4.02Å; S640-A643 PolarHBondContact O-N 2.9Å; S640-A643 WeakPolarHBondContact OG-CB 3.36Å; S640-A643 PolarHBondContact OG-N 2.87Å; I641-A643 PolarHBondContact O-N 2.83Å; A643-I646 PolarHBondContact O-N 3Å; A643-A647 VanDerWaalsContact O-CB 3.24Å; A643-A647 WeakPolarHBondContact O-CB 3.44Å; A643-A647 PolarHBondContact O-N 3.06Å |
| 644 | D | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.4 | -53.8 | -45.6 | 0 | 0 | 0 | 111.9 | Y363 C400 S639 S640 I641 A647 L648 T659 K676 L682 | Y363-D644 HydrophobicContact CE2-CB 4.09Å; Y363-D644 PolarHBondContact OH-OD2 3.45Å; C400-D644 WeakPolarHBondContact CB-OD1 3.31Å; S639-D644 PolarHBondContact OG-OD1 3.35Å; S640-D644 PolarHBondContact O-N 2.82Å; S640-D644 VanDerWaalsContact O-OD2 3.13Å; I641-D644 PolarHBondContact O-N 2.9Å; D644-A647 PolarHBondContact O-N 2.85Å; D644-L648 VanDerWaalsContact O-CB 3.24Å; D644-L648 WeakPolarHBondContact O-CB 3.36Å; D644-L648 WeakPolarHBondContact O-CD1 3.5Å; D644-L648 WeakPolarHBondContact O-CG 3.25Å; D644-L648 PolarHBondContact O-N 3Å; D644-T659 WeakPolarHBondContact OD1-CB 3.41Å; D644-T659 PolarHBondContact OD1-OG1 3.4Å; D644-K676 WeakPolarHBondContact OD2-CE 3.02Å; D644-K676 IonicContact OD2-NZ 3.9Å; D644-K676 PolarHBondContact OD2-NZ 2.77Å; D644-L682 HydrophobicContact CB-CD1 4.4Å |
| 645 | L | 98.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 12.4 Ų | 12.4 | 16% | 0.162 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 178 | -74.8 | 173.6 | 0 | 0 | 0 | 111.7 | L352 I641 L642 L648 K649 L682 | L352-L645 HydrophobicContact CD1-CB 4.42Å; L352-L645 HydrophobicContact CD2-CB 3.9Å; I641-L645 HydrophobicContact CG2-CD1 3.66Å; I641-L645 HydrophobicContact CG2-CG 4Å; I641-L645 WeakPolarHBondContact O-CB 3.41Å; I641-L645 WeakPolarHBondContact O-CG 3.45Å; I641-L645 PolarHBondContact O-N 2.85Å; L642-L645 PolarHBondContact O-N 3.34Å; L645-L648 PolarHBondContact O-N 3.13Å; L645-K649 VanDerWaalsContact O-CG 3.29Å; L645-K649 WeakPolarHBondContact O-CG 3.34Å; L645-K649 PolarHBondContact O-N 2.74Å; L645-K649 VanDerWaalsContact O-N 3.09Å; L645-L682 HydrophobicContact CD2-CD1 3.98Å; L645-L682 HydrophobicContact CD2-CD2 4.11Å; L645-L682 HydrophobicContact CD2-CG 4.31Å; L645-L682 HydrophobicContact CG-CD1 4.39Å |
| 646 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 177.8 | -73.3 | 168 | 0 | 0 | 0 | 109.7 | I347 L349 V351 L352 P613 L625 L642 A643 L648 K649 L650 | I347-I646 HydrophobicContact CG2-CG2 4.2Å; L349-I646 HydrophobicContact CD2-CD1 3.97Å; V351-I646 HydrophobicContact CG1-CG2 4.19Å; L352-I646 HydrophobicContact CD1-CG1 4.13Å; L352-I646 HydrophobicContact CD2-CB 4.46Å; L352-I646 HydrophobicContact CD2-CG1 3.73Å; L352-I646 HydrophobicContact CG-CG1 3.71Å; P613-I646 HydrophobicContact CG-CD1 4.02Å; L625-I646 HydrophobicContact CD1-CB 4.45Å; L625-I646 HydrophobicContact CD1-CG2 4.18Å; L642-I646 WeakPolarHBondContact O-CB 3.29Å; L642-I646 WeakPolarHBondContact O-CG1 3.26Å; L642-I646 PolarHBondContact O-N 2.84Å; A643-I646 PolarHBondContact O-N 3Å; I646-L648 VanDerWaalsContact C-N 3.35Å; I646-L648 PolarHBondContact O-N 3.49Å; I646-K649 PolarHBondContact O-N 3.47Å; I646-L650 HydrophobicContact CG2-CD1 3.66Å; I646-L650 HydrophobicContact CG2-CG 4.34Å; I646-L650 WeakPolarHBondContact O-CG 3.43Å; I646-L650 PolarHBondContact O-N 3.34Å |
| 647 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I398 L625 A643 D644 K649 L650 V651 V657 | I398-A647 HydrophobicContact CB-CB 3.96Å; I398-A647 HydrophobicContact CD1-CB 4.13Å; I398-A647 HydrophobicContact CG2-CB 3.68Å; L625-A647 HydrophobicContact CD1-CB 4.03Å; A643-A647 VanDerWaalsContact O-CB 3.24Å; A643-A647 WeakPolarHBondContact O-CB 3.44Å; A643-A647 PolarHBondContact O-N 3.06Å; D644-A647 PolarHBondContact O-N 2.85Å; A647-K649 VanDerWaalsContact C-N 3.25Å; A647-K649 PolarHBondContact O-N 3.46Å; A647-L650 PolarHBondContact O-N 3.43Å; A647-V651 WeakPolarHBondContact O-CG1 3.35Å; A647-V651 WeakPolarHBondContact O-CG2 3.16Å; A647-V651 PolarHBondContact O-N 3.28Å; A647-V657 HydrophobicContact CB-CB 4.38Å; A647-V657 HydrophobicContact CB-CG1 3.91Å; A647-V657 HydrophobicContact CB-CG2 3.53Å |
| 648 | L | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -34 | -177.8 | -79.7 | 168.1 | 0 | 0 | 0 | 111.8 | N360 G361 Y363 D644 L645 I646 V657 L682 | N360-L648 WeakPolarHBondContact CA-O 3.21Å; N360-L648 HydrophobicContact CB-CB 4.07Å; N360-L648 HydrophobicContact CB-CD2 4.46Å; G361-L648 PolarHBondContact N-O 3.3Å; G361-L648 WeakPolarHBondContact O-CD2 3.31Å; Y363-L648 HydrophobicContact CD2-CD1 4.49Å; Y363-L648 HydrophobicContact CD2-CD2 4.38Å; Y363-L648 HydrophobicContact CG-CD1 4.39Å; Y363-L648 HydrophobicContact CG-CD2 4.35Å; D644-L648 VanDerWaalsContact O-CB 3.24Å; D644-L648 WeakPolarHBondContact O-CB 3.36Å; D644-L648 WeakPolarHBondContact O-CD1 3.5Å; D644-L648 WeakPolarHBondContact O-CG 3.25Å; D644-L648 PolarHBondContact O-N 3Å; L645-L648 PolarHBondContact O-N 3.13Å; I646-L648 VanDerWaalsContact C-N 3.35Å; I646-L648 PolarHBondContact O-N 3.49Å; L648-V657 HydrophobicContact CB-CG2 4.23Å; L648-V657 HydrophobicContact CD2-CB 3.91Å; L648-V657 HydrophobicContact CD2-CG2 3.67Å; L648-V657 HydrophobicContact CG-CB 4.17Å; L648-V657 HydrophobicContact CG-CG2 3.74Å; L648-L682 HydrophobicContact CD1-CD1 3.71Å; L648-L682 HydrophobicContact CD1-CD2 3.79Å; L648-L682 HydrophobicContact CD1-CG 4.37Å |
| 649 | K | 95.5 | Very high | 96.7 | Very high | 33 Ų | 33 | 12.8 Ų | 12.8 | 14% | 0.143 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.4 | -43.7 | 175.2 | -69.5 | -60.1 | -169.4 | 164 | 0 | 112.3 | L352 L355 N356 V358 N360 L645 I646 A647 G652 | L352-K649 HydrophobicContact CD2-CG 4.11Å; L355-K649 HydrophobicContact CB-CB 3.78Å; L355-K649 HydrophobicContact CB-CD 4.41Å; L355-K649 HydrophobicContact CB-CG 4.27Å; L355-K649 HydrophobicContact CD1-CB 3.84Å; L355-K649 HydrophobicContact CG-CB 4.48Å; L355-K649 VanDerWaalsContact O-CD 3.31Å; L355-K649 WeakPolarHBondContact O-CD 3.45Å; L355-K649 PolarHBondContact O-NZ 3.43Å; N356-K649 PolarHBondContact O-NZ 2.96Å; V358-K649 WeakPolarHBondContact O-CD 3.31Å; V358-K649 PolarHBondContact O-NZ 2.86Å; N360-K649 VanDerWaalsContact OD1-CD 3.3Å; N360-K649 WeakPolarHBondContact OD1-CD 3.37Å; N360-K649 WeakPolarHBondContact OD1-CE 3.27Å; L645-K649 VanDerWaalsContact O-CG 3.29Å; L645-K649 WeakPolarHBondContact O-CG 3.34Å; L645-K649 PolarHBondContact O-N 2.74Å; L645-K649 VanDerWaalsContact O-N 3.09Å; I646-K649 PolarHBondContact O-N 3.47Å; A647-K649 VanDerWaalsContact C-N 3.25Å; A647-K649 PolarHBondContact O-N 3.46Å; K649-G652 PolarHBondContact O-N 3.36Å |
| 650 | L | 95.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 13 Ų | 13 | 8% | 0.079 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | -179.4 | -74.2 | 168.5 | 0 | 0 | 0 | 112 | W295 I330 L332 V351 L355 I398 I646 A647 G652 | W295-L650 HydrophobicContact CZ2-CB 4.12Å; W295-L650 WeakPolarHBondContact CZ2-O 3.36Å; I330-L650 HydrophobicContact CD1-CD1 4.31Å; L332-L650 HydrophobicContact CD2-CD1 4.15Å; L332-L650 HydrophobicContact CD2-CD2 3.91Å; L332-L650 HydrophobicContact CG-CD1 4.4Å; L332-L650 HydrophobicContact CG-CD2 4.18Å; V351-L650 HydrophobicContact CG1-CD2 4.16Å; V351-L650 HydrophobicContact CG1-CG 4.32Å; L355-L650 HydrophobicContact CD1-CD2 3.81Å; L355-L650 HydrophobicContact CD1-CG 4.16Å; I398-L650 HydrophobicContact CD1-CB 4.01Å; I398-L650 HydrophobicContact CD1-CD1 4.03Å; I646-L650 HydrophobicContact CG2-CD1 3.66Å; I646-L650 HydrophobicContact CG2-CG 4.34Å; I646-L650 WeakPolarHBondContact O-CG 3.43Å; I646-L650 PolarHBondContact O-N 3.34Å; A647-L650 PolarHBondContact O-N 3.43Å; L650-G652 PolarHBondContact O-N 2.99Å |
| 651 | V | 95.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.4 | -24.1 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | W295 N396 I398 A647 V657 | W295-V651 HydrophobicContact CH2-CB 4.3Å; W295-V651 HydrophobicContact CH2-CG1 3.54Å; W295-V651 HydrophobicContact CZ2-CB 4.46Å; W295-V651 HydrophobicContact CZ2-CG1 4.15Å; W295-V651 HydrophobicContact CZ3-CG1 4.33Å; N396-V651 HydrophobicContact CB-CB 4.21Å; N396-V651 HydrophobicContact CB-CG1 4.49Å; N396-V651 PolarHBondContact ND2-O 3Å; I398-V651 HydrophobicContact CB-CG1 4.24Å; I398-V651 HydrophobicContact CD1-CG1 4.05Å; I398-V651 HydrophobicContact CG1-CG1 4Å; A647-V651 WeakPolarHBondContact O-CG1 3.35Å; A647-V651 WeakPolarHBondContact O-CG2 3.16Å; A647-V651 PolarHBondContact O-N 3.28Å; V651-V657 HydrophobicContact CG1-CG2 4.28Å; V651-V657 HydrophobicContact CG2-CG2 3.94Å |
| 652 | G | 91 | Very high | 96.2 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 10% | 0.103 | 7% | 0.074 | C | C | . | . | trans | 70.3 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G361 K649 L650 D654 G655 | G361-G652 WeakPolarHBondContact CA-O 3.42Å; G361-G652 PolarHBondContact N-O 2.91Å; K649-G652 PolarHBondContact O-N 3.36Å; L650-G652 PolarHBondContact O-N 2.99Å; G652-D654 PolarHBondContact O-N 2.92Å; G652-D654 VanDerWaalsContact O-N 3.13Å; G652-G655 PolarHBondContact O-N 2.9Å | ||
| 653 | P | 90.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 15.5 Ų | 15.5 | 40% | 0.403 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24 | -169.7 | 23.9 | -34.8 | 0 | 0 | 0 | 115.2 | K359 | K359-P653 HydrophobicContact CB-CB 4.25Å; K359-P653 HydrophobicContact CD-CB 4.29Å; K359-P653 HydrophobicContact CG-CB 4.39Å |
| 654 | D | 90.8 | Very high | 95.5 | Very high | 100 Ų | 100 | 15.5 Ų | 15.5 | 54% | 0.535 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.4 | 179.6 | -65.5 | -33.3 | 0 | 0 | 0 | 112.6 | K293 G652 | K293-D654 IonicContact NZ-OD2 2.74Å; K293-D654 PolarHBondContact NZ-OD2 2.85Å; G652-D654 PolarHBondContact O-N 2.92Å; G652-D654 VanDerWaalsContact O-N 3.13Å |
| 655 | G | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -101 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K362 N396 G652 | K362-G655 PolarHBondContact N-O 3.05Å; N396-G655 CarbonylContact O-C 3.57Å; N396-G655 VanDerWaalsContact O-CA 3.23Å; N396-G655 WeakPolarHBondContact O-CA 3.34Å; G652-G655 PolarHBondContact O-N 2.9Å |
| 656 | F | 98.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 14 Ų | 14 | 4% | 0.039 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.5 | -168.3 | -61 | -94.7 | 0 | 0 | 0 | 112.4 | K362 V364 L389 A395 N396 A397 I398 K794 C797 | K362-F656 HydrophobicContact CB-CD1 3.63Å; K362-F656 HydrophobicContact CB-CE1 3.84Å; K362-F656 HydrophobicContact CB-CG 4.36Å; K362-F656 HydrophobicContact CG-CD1 4.27Å; K362-F656 HydrophobicContact CG-CE1 3.99Å; K362-F656 CarbonylContact O-C 3.52Å; K362-F656 WeakPolarHBondContact O-CA 3.34Å; V364-F656 HydrophobicContact CG2-CD1 4.27Å; L389-F656 HydrophobicContact CD1-CB 3.92Å; L389-F656 HydrophobicContact CD1-CG 4.29Å; L389-F656 HydrophobicContact CD2-CD2 4.01Å; L389-F656 HydrophobicContact CD2-CE2 4.39Å; L389-F656 HydrophobicContact CD2-CG 4.12Å; A395-F656 HydrophobicContact CB-CD2 4.1Å; A395-F656 HydrophobicContact CB-CE2 4.06Å; N396-F656 PolarHBondContact O-N 2.9Å; A397-F656 WeakPolarHBondContact CA-O 3.48Å; A397-F656 HydrophobicContact CB-CB 4.16Å; I398-F656 PolarHBondContact N-O 3.46Å; I398-F656 VanDerWaalsContact N-O 3.09Å; F656-K794 HydrophobicContact CE1-CB 4.44Å; F656-K794 HydrophobicContact CZ-CB 4.11Å; F656-K794 HydrophobicContact CZ-CD 4.47Å; F656-K794 HydrophobicContact CZ-CG 3.94Å; F656-C797 HydrophobicContact CE1-CB 4.21Å |
| 657 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.9 | 166.2 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | K362 Y363 V364 I398 C400 A647 L648 V651 | K362-V657 PolarHBondContact O-N 3.24Å; Y363-V657 HydrophobicContact CD2-CB 4.2Å; Y363-V657 HydrophobicContact CD2-CG1 4.14Å; Y363-V657 HydrophobicContact CE2-CG1 4.19Å; V364-V657 PolarHBondContact N-O 2.8Å; I398-V657 WeakPolarHBondContact O-CA 3.49Å; C400-V657 HydrophobicContact CB-CG1 4.48Å; A647-V657 HydrophobicContact CB-CB 4.38Å; A647-V657 HydrophobicContact CB-CG1 3.91Å; A647-V657 HydrophobicContact CB-CG2 3.53Å; L648-V657 HydrophobicContact CB-CG2 4.23Å; L648-V657 HydrophobicContact CD2-CB 3.91Å; L648-V657 HydrophobicContact CD2-CG2 3.67Å; L648-V657 HydrophobicContact CG-CB 4.17Å; L648-V657 HydrophobicContact CG-CG2 3.74Å; V651-V657 HydrophobicContact CG1-CG2 4.28Å; V651-V657 HydrophobicContact CG2-CG2 3.94Å |
| 658 | V | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 106.2 | 176.3 | -170.1 | 0 | 0 | 0 | 0 | 108 | V364 V366 T382 L385 V386 L389 I398 G399 C400 | V364-V658 HydrophobicContact CB-CG2 4.47Å; V364-V658 WeakPolarHBondContact O-CA 3.42Å; V366-V658 HydrophobicContact CG2-CG1 3.52Å; T382-V658 HydrophobicContact CG2-CG1 3.98Å; L385-V658 HydrophobicContact CD2-CG1 3.82Å; L385-V658 HydrophobicContact CD2-CG2 4.13Å; L385-V658 HydrophobicContact CG-CG1 4.32Å; L385-V658 HydrophobicContact CG-CG2 4.09Å; V386-V658 HydrophobicContact CG2-CB 3.64Å; V386-V658 HydrophobicContact CG2-CG1 4.35Å; V386-V658 HydrophobicContact CG2-CG2 3.8Å; L389-V658 HydrophobicContact CD1-CG2 3.65Å; I398-V658 PolarHBondContact O-N 3.28Å; G399-V658 CarbonylContact C-O 3.54Å; G399-V658 WeakPolarHBondContact CA-O 3.43Å; C400-V658 PolarHBondContact N-O 2.85Å |
| 659 | T | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 169.4 | 177.3 | -156.1 | 0 | 0 | 0 | 0 | 110.1 | Y363 V364 L365 V366 C400 S639 D644 F672 | Y363-T659 HydrophobicContact CD2-CG2 4.31Å; Y363-T659 HydrophobicContact CE2-CG2 3.39Å; V364-T659 PolarHBondContact O-N 3.15Å; L365-T659 HydrophobicContact CB-CG2 4.48Å; L365-T659 HydrophobicContact CD1-CG2 3.48Å; L365-T659 VanDerWaalsContact CD1-CG2 3.48Å; V366-T659 PolarHBondContact N-O 3Å; C400-T659 WeakPolarHBondContact O-CA 3.45Å; C400-T659 PolarHBondContact O-OG1 3.46Å; S639-T659 PolarHBondContact OG-OG1 3.42Å; D644-T659 WeakPolarHBondContact OD1-CB 3.41Å; D644-T659 PolarHBondContact OD1-OG1 3.4Å; T659-F672 HydrophobicContact CG2-CE2 3.84Å; T659-F672 HydrophobicContact CG2-CZ 4.04Å |
| 660 | E | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.019 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.8 | 178.1 | 58.9 | 167.7 | -135.5 | 0 | 0 | 114 | V366 K378 S379 R402 S638 | V366-E660 WeakPolarHBondContact O-CA 3.29Å; K378-E660 HydrophobicContact CD-CB 4.36Å; K378-E660 IonicContact NZ-OE1 3.77Å; K378-E660 PolarHBondContact NZ-OE1 2.9Å; K378-E660 IonicContact NZ-OE2 2.75Å; K378-E660 PolarHBondContact NZ-OE2 3.46Å; S379-E660 PolarHBondContact OG-OE2 3.25Å; R402-E660 IonicContact NE-OE1 2.86Å; S638-E660 WeakPolarHBondContact CB-O 3.25Å |
| 661 | A | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -82.6 | 171.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L365 V366 K378 | L365-A661 HydrophobicContact CD1-CB 3.97Å; L365-A661 HydrophobicContact CD2-CB 4.2Å; L365-A661 HydrophobicContact CG-CB 4.23Å; V366-A661 PolarHBondContact O-N 2.91Å; K378-A661 VanDerWaalsContact CE-O 3.28Å; K378-A661 WeakPolarHBondContact CE-O 3.32Å | ||
| 662 | G | 90.2 | Very high | 95 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -65.8 | -157.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G637 | G637-G662 PolarHBondContact O-N 3.09Š|
| 663 | F | 90.3 | Very high | 95.2 | Very high | 51 Ų | 51 | 11.1 Ų | 11.1 | 22% | 0.224 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -69.9 | 131.9 | 179.1 | -55.7 | -66.9 | 0 | 0 | 0 | 111.6 | A632 N633 I667 G668 P860 | A632-F663 HydrophobicContact CB-CD2 3.7Å; A632-F663 HydrophobicContact CB-CE2 3.72Å; N633-F663 WeakPolarHBondContact OD1-CE2 3.34Å; F663-I667 WeakPolarHBondContact O-CB 3.47Å; F663-G668 PolarHBondContact O-N 3.46Å; F663-P860 HydrophobicContact CB-CB 3.46Å; F663-P860 VanDerWaalsContact CB-CB 3.46Å; F663-P860 HydrophobicContact CD1-CB 4.33Å; F663-P860 HydrophobicContact CD2-CB 3.78Å; F663-P860 HydrophobicContact CD2-CG 4.08Å; F663-P860 HydrophobicContact CE2-CG 4.49Å; F663-P860 HydrophobicContact CG-CB 3.6Å; F663-P860 HydrophobicContact CG-CG 4.23Å |
| 664 | G | 92.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | I | π-helix | trans | 71.3 | 153.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T367 S368 D666 G668 F669 | T367-G664 PolarHBondContact OG1-O 3.24Å; T367-G664 VanDerWaalsContact OG1-O 3.12Å; S368-G664 CarbonylContact O-C 3.58Å; S368-G664 VanDerWaalsContact O-C 3.27Å; S368-G664 WeakPolarHBondContact O-CA 3.29Å; S368-G664 PolarHBondContact OG-N 2.98Å; G664-D666 VanDerWaalsContact C-N 3.33Å; G664-G668 WeakPolarHBondContact O-CA 3.32Å; G664-G668 PolarHBondContact O-N 2.9Å; G664-F669 PolarHBondContact O-N 3.47Å |
| 665 | A | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -74.7 | -28.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | T367 S368 F669 E670 L689 H732 I736 | T367-A665 HydrophobicContact CG2-CB 3.99Å; S368-A665 PolarHBondContact O-N 3.35Å; A665-F669 HydrophobicContact CB-CB 4.19Å; A665-F669 HydrophobicContact CB-CD1 4.44Å; A665-F669 WeakPolarHBondContact O-CB 3.27Å; A665-E670 PolarHBondContact O-N 3.4Å; A665-L689 HydrophobicContact CB-CD1 4.25Å; A665-H732 HydrophobicContact CB-CB 3.92Å; A665-H732 VanDerWaalsContact CB-ND1 3.3Å; A665-H732 WeakPolarHBondContact CB-ND1 3.45Å; A665-H732 PolarHBondContact N-ND1 3.19Å; A665-I736 HydrophobicContact CB-CD1 4.26Å; A665-I736 HydrophobicContact CB-CG1 4.08Å |
| 666 | D | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -69.3 | -28.9 | 177.9 | 67.9 | -43.5 | 0 | 0 | 0 | 113.6 | G664 H732 I825 Y826 K858 | G664-D666 VanDerWaalsContact C-N 3.33Å; D666-H732 IonicContact OD1-CE1 3.23Å; D666-H732 PolarHBondContact OD1-CE1 3.23Å; D666-H732 IonicContact OD1-ND1 3.45Å; D666-I825 HydrophobicContact CB-CG2 3.87Å; D666-I825 VanDerWaalsContact O-CG2 3.23Å; D666-I825 WeakPolarHBondContact O-CG2 3.43Å; D666-Y826 HydrophobicContact CB-CD1 4.3Å; D666-Y826 HydrophobicContact CB-CE1 4.16Å; D666-Y826 VanDerWaalsContact O-CE1 3.23Å; D666-Y826 WeakPolarHBondContact O-CE1 3.34Å; D666-K858 IonicContact OD2-NZ 2.99Å |
| 667 | I | 94 | Very high | 95.8 | Very high | 3 Ų | 3 | 3.1 Ų | 3.1 | 2% | 0.015 | 2% | 0.015 | C | C | . | . | I | π-helix | trans | -113 | -62.7 | 179.6 | -50 | 168.6 | 0 | 0 | 0 | 110.2 | F663 K671 Y826 K858 P860 | F663-I667 WeakPolarHBondContact O-CB 3.47Å; I667-K671 HydrophobicContact CG2-CD 3.95Å; I667-K671 VanDerWaalsContact CG2-NZ 3.28Å; I667-K671 WeakPolarHBondContact O-CB 3.37Å; I667-K671 WeakPolarHBondContact O-CD 3.46Å; I667-K671 WeakPolarHBondContact O-CG 3.27Å; I667-K671 PolarHBondContact O-N 2.85Å; I667-Y826 HydrophobicContact CG1-CE1 4.43Å; I667-K858 HydrophobicContact CD1-CD 4.33Å; I667-K858 HydrophobicContact CD1-CG 4.33Å; I667-K858 HydrophobicContact CG1-CD 4.36Å; I667-K858 HydrophobicContact CG1-CG 4.5Å; I667-P860 HydrophobicContact CD1-CB 4.37Å |
| 668 | G | 94.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | I | π-helix | trans | -66.5 | -47.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F663 G664 F672 | F663-G668 PolarHBondContact O-N 3.46Å; G664-G668 WeakPolarHBondContact O-CA 3.32Å; G664-G668 PolarHBondContact O-N 2.9Å; G668-F672 WeakPolarHBondContact O-CB 3.48Å; G668-F672 PolarHBondContact O-N 2.92Å |
| 669 | F | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -71.7 | -44.1 | 178.9 | 165.2 | -110.2 | 0 | 0 | 0 | 112.1 | L365 T367 G664 A665 K671 F672 A673 V687 I736 F739 I741 | L365-F669 HydrophobicContact CD2-CD2 3.38Å; L365-F669 HydrophobicContact CD2-CE2 4.03Å; L365-F669 HydrophobicContact CD2-CG 4.4Å; T367-F669 HydrophobicContact CG2-CB 4.33Å; G664-F669 PolarHBondContact O-N 3.47Å; A665-F669 HydrophobicContact CB-CB 4.19Å; A665-F669 HydrophobicContact CB-CD1 4.44Å; A665-F669 WeakPolarHBondContact O-CB 3.27Å; F669-K671 PolarHBondContact O-N 3.37Å; F669-F672 WeakPolarHBondContact O-CB 3.12Å; F669-F672 PolarHBondContact O-N 2.8Å; F669-F672 VanDerWaalsContact O-N 3.12Å; F669-A673 HydrophobicContact CE2-CB 4.3Å; F669-A673 HydrophobicContact CZ-CB 4.44Å; F669-A673 WeakPolarHBondContact O-CB 3.35Å; F669-A673 PolarHBondContact O-N 3.11Å; F669-V687 HydrophobicContact CD2-CG2 4.2Å; F669-V687 HydrophobicContact CE2-CG2 3.72Å; F669-V687 HydrophobicContact CZ-CG2 4.31Å; F669-I736 HydrophobicContact CD1-CG1 3.98Å; F669-I736 HydrophobicContact CE1-CB 4.23Å; F669-I736 HydrophobicContact CE1-CG1 4.03Å; F669-I736 HydrophobicContact CZ-CG2 4.44Å; F669-F739 HydrophobicContact CD1-CD2 4.44Å; F669-F739 HydrophobicContact CD1-CE2 4.46Å; F669-F739 HydrophobicContact CE1-CB 4.36Å; F669-F739 AromaticContact CE1-CD2 3.4Å; F669-F739 HydrophobicContact CE1-CD2 3.4Å; F669-F739 AromaticContact CE1-CE2 3.81Å; F669-F739 HydrophobicContact CE1-CE2 3.81Å; F669-F739 AromaticContact CE1-CG 3.97Å; F669-F739 HydrophobicContact CE1-CG 3.97Å; F669-F739 HydrophobicContact CZ-CB 3.94Å; F669-F739 AromaticContact CZ-CD2 3.82Å; F669-F739 HydrophobicContact CZ-CD2 3.82Å; F669-F739 HydrophobicContact CZ-CE2 4.49Å; F669-F739 AromaticContact CZ-CG 3.9Å; F669-F739 HydrophobicContact CZ-CG 3.9Å; F669-I741 HydrophobicContact CE2-CD1 3.95Å; F669-I741 HydrophobicContact CZ-CD1 3.82Å |
| 670 | E | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -52.5 | -53.3 | 174.3 | 179 | -80.4 | 143.1 | 0 | 0 | 110.7 | A665 F672 A673 D674 F739 I821 I825 | A665-E670 PolarHBondContact O-N 3.4Å; E670-F672 VanDerWaalsContact C-N 3.31Å; E670-F672 PolarHBondContact O-N 3.2Å; E670-A673 PolarHBondContact O-N 2.98Å; E670-A673 VanDerWaalsContact O-N 3.1Å; E670-D674 PolarHBondContact O-N 3.19Å; E670-F739 HydrophobicContact CG-CZ 4.34Å; E670-I821 HydrophobicContact CG-CG2 4.48Å; E670-I825 HydrophobicContact CG-CG1 4.38Å |
| 671 | K | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.5 | -38.3 | 177.7 | -67.8 | 169.9 | -176.2 | -174.4 | 0 | 112.9 | A632 A635 H636 I667 F669 A673 I675 K676 C855 M856 | A632-K671 PolarHBondContact O-NZ 2.67Å; A635-K671 WeakPolarHBondContact O-CD 3.24Å; A635-K671 PolarHBondContact O-NZ 3.29Å; H636-K671 HydrophobicContact CB-CB 4.01Å; I667-K671 HydrophobicContact CG2-CD 3.95Å; I667-K671 VanDerWaalsContact CG2-NZ 3.28Å; I667-K671 WeakPolarHBondContact O-CB 3.37Å; I667-K671 WeakPolarHBondContact O-CD 3.46Å; I667-K671 WeakPolarHBondContact O-CG 3.27Å; I667-K671 PolarHBondContact O-N 2.85Å; F669-K671 PolarHBondContact O-N 3.37Å; K671-A673 VanDerWaalsContact C-N 3.34Å; K671-I675 HydrophobicContact CB-CD1 4.17Å; K671-I675 HydrophobicContact CG-CD1 4.29Å; K671-I675 WeakPolarHBondContact O-CA 3.14Å; K671-I675 WeakPolarHBondContact O-CB 3.38Å; K671-I675 WeakPolarHBondContact O-CG1 3.47Å; K671-I675 PolarHBondContact O-N 2.75Å; K671-K676 PolarHBondContact O-N 3.45Å; K671-C855 WeakPolarHBondContact CE-SG 3.35Å; K671-M856 WeakPolarHBondContact CE-O 3.44Å; K671-M856 PolarHBondContact NZ-O 3.41Å |
| 672 | F | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -59.8 | -47.9 | 175.2 | 175.9 | -82.6 | 0 | 0 | 0 | 110.4 | Y363 L365 T659 G668 F669 E670 K676 C677 P684 | Y363-F672 HydrophobicContact CE1-CE1 4.35Å; Y363-F672 AromaticContact CE1-CZ 3.64Å; Y363-F672 HydrophobicContact CE1-CZ 3.64Å; Y363-F672 AromaticContact CZ-CZ 3.58Å; Y363-F672 WeakPolarHBondContact OH-CE2 3.35Å; Y363-F672 VanDerWaalsContact OH-CZ 3.23Å; Y363-F672 WeakPolarHBondContact OH-CZ 3.23Å; L365-F672 HydrophobicContact CD1-CD1 4.28Å; L365-F672 HydrophobicContact CD1-CD2 3.76Å; L365-F672 HydrophobicContact CD1-CE1 4.14Å; L365-F672 HydrophobicContact CD1-CE2 3.6Å; L365-F672 HydrophobicContact CD1-CG 4.09Å; L365-F672 HydrophobicContact CD1-CZ 3.79Å; L365-F672 HydrophobicContact CD2-CB 4.39Å; L365-F672 HydrophobicContact CD2-CD1 3.56Å; L365-F672 HydrophobicContact CD2-CD2 4.41Å; L365-F672 HydrophobicContact CD2-CE1 3.8Å; L365-F672 HydrophobicContact CD2-CG 3.88Å; L365-F672 HydrophobicContact CD2-CZ 4.3Å; L365-F672 HydrophobicContact CG-CE1 4.41Å; L365-F672 HydrophobicContact CG-CZ 4.48Å; T659-F672 HydrophobicContact CG2-CE2 3.84Å; T659-F672 HydrophobicContact CG2-CZ 4.04Å; G668-F672 WeakPolarHBondContact O-CB 3.48Å; G668-F672 PolarHBondContact O-N 2.92Å; F669-F672 WeakPolarHBondContact O-CB 3.12Å; F669-F672 PolarHBondContact O-N 2.8Å; F669-F672 VanDerWaalsContact O-N 3.12Å; E670-F672 VanDerWaalsContact C-N 3.31Å; E670-F672 PolarHBondContact O-N 3.2Å; F672-K676 HydrophobicContact CD2-CB 4.46Å; F672-K676 HydrophobicContact CD2-CD 3.8Å; F672-K676 HydrophobicContact CE2-CD 3.83Å; F672-K676 CarbonylContact O-C 3.54Å; F672-K676 WeakPolarHBondContact O-CA 3.35Å; F672-K676 WeakPolarHBondContact O-CB 3.44Å; F672-K676 PolarHBondContact O-N 2.87Å; F672-C677 WeakPolarHBondContact CE1-SG 3.3Å; F672-C677 PolarHBondContact O-N 2.82Å; F672-C677 PolarHBondContact O-SG 3.45Å; F672-P684 HydrophobicContact CE1-CG 4.18Å |
| 673 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -70.5 | -47.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F669 E670 K671 C677 F739 F804 F806 | F669-A673 HydrophobicContact CE2-CB 4.3Å; F669-A673 HydrophobicContact CZ-CB 4.44Å; F669-A673 WeakPolarHBondContact O-CB 3.35Å; F669-A673 PolarHBondContact O-N 3.11Å; E670-A673 PolarHBondContact O-N 2.98Å; E670-A673 VanDerWaalsContact O-N 3.1Å; K671-A673 VanDerWaalsContact C-N 3.34Å; A673-C677 VanDerWaalsContact O-CB 3.28Å; A673-C677 WeakPolarHBondContact O-CB 3.34Å; A673-F739 HydrophobicContact CB-CD1 3.48Å; A673-F739 VanDerWaalsContact CB-CD1 3.48Å; A673-F739 HydrophobicContact CB-CE1 3.36Å; A673-F739 HydrophobicContact CB-CG 4.26Å; A673-F739 HydrophobicContact CB-CZ 4.06Å; A673-F804 HydrophobicContact CB-CE2 4.24Å; A673-F804 HydrophobicContact CB-CZ 4.33Å; A673-F806 WeakPolarHBondContact O-CD1 3.41Å; A673-F806 WeakPolarHBondContact O-CE1 3.38Å |
| 674 | D | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -85.6 | -13.6 | -174.5 | -85.9 | -58.8 | 0 | 0 | 0 | 114.6 | E670 R678 F739 L807 Y808 | E670-D674 PolarHBondContact O-N 3.19Å; D674-R678 WeakPolarHBondContact O-CD 3.36Å; D674-R678 WeakPolarHBondContact O-CG 3.35Å; D674-R678 PolarHBondContact O-NE 3.43Å; D674-R678 IonicContact OD1-CZ 3.63Å; D674-R678 IonicContact OD1-NE 2.68Å; D674-R678 IonicContact OD1-NH2 3.91Å; D674-R678 PolarHBondContact OD1-NH2 2.94Å; D674-F739 WeakPolarHBondContact OD2-CE1 3.27Å; D674-F739 VanDerWaalsContact OD2-CZ 3.31Å; D674-F739 WeakPolarHBondContact OD2-CZ 3.43Å; D674-L807 PolarHBondContact OD1-N 3.26Å; D674-L807 WeakPolarHBondContact OD2-CB 3.3Å; D674-Y808 HydrophobicContact CB-CE1 4.04Å |
| 675 | I | 96.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -116.5 | -61 | 179.6 | -50 | 177 | 0 | 0 | 0 | 110.8 | M567 K671 R678 A679 P853 C855 F891 | M567-I675 HydrophobicContact CE-CG2 3.76Å; K671-I675 HydrophobicContact CB-CD1 4.17Å; K671-I675 HydrophobicContact CG-CD1 4.29Å; K671-I675 WeakPolarHBondContact O-CA 3.14Å; K671-I675 WeakPolarHBondContact O-CB 3.38Å; K671-I675 WeakPolarHBondContact O-CG1 3.47Å; K671-I675 PolarHBondContact O-N 2.75Å; I675-R678 PolarHBondContact O-N 3.26Å; I675-A679 PolarHBondContact O-N 2.87Å; I675-A679 VanDerWaalsContact O-N 3.14Å; I675-P853 HydrophobicContact CG1-CB 4.04Å; I675-C855 HydrophobicContact CD1-CB 3.63Å; I675-F891 HydrophobicContact CD1-CG 4.44Å; I675-F891 HydrophobicContact CG2-CB 4.31Å; I675-F891 HydrophobicContact CG2-CD1 4.05Å; I675-F891 HydrophobicContact CG2-CG 4.38Å |
| 676 | K | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -72.2 | -42.9 | -172.5 | -173.5 | 177.8 | 170.3 | -174.1 | 0 | 112.4 | M567 S639 I641 D644 K671 F672 R678 A679 S680 | M567-K676 HydrophobicContact SD-CB 4.33Å; M567-K676 HydrophobicContact SD-CG 4.38Å; S639-K676 WeakPolarHBondContact O-CE 3.48Å; S639-K676 PolarHBondContact O-NZ 2.91Å; I641-K676 HydrophobicContact CD1-CG 4.22Å; I641-K676 HydrophobicContact CG1-CD 4.4Å; I641-K676 HydrophobicContact CG1-CG 3.79Å; D644-K676 WeakPolarHBondContact OD2-CE 3.02Å; D644-K676 IonicContact OD2-NZ 3.9Å; D644-K676 PolarHBondContact OD2-NZ 2.77Å; K671-K676 PolarHBondContact O-N 3.45Å; F672-K676 HydrophobicContact CD2-CB 4.46Å; F672-K676 HydrophobicContact CD2-CD 3.8Å; F672-K676 HydrophobicContact CE2-CD 3.83Å; F672-K676 CarbonylContact O-C 3.54Å; F672-K676 WeakPolarHBondContact O-CA 3.35Å; F672-K676 WeakPolarHBondContact O-CB 3.44Å; F672-K676 PolarHBondContact O-N 2.87Å; K676-R678 VanDerWaalsContact C-N 3.31Å; K676-R678 PolarHBondContact O-N 2.81Å; K676-A679 PolarHBondContact O-N 2.88Å; K676-S680 WeakPolarHBondContact O-CB 3.36Å; K676-S680 PolarHBondContact O-N 2.79Å; K676-S680 PolarHBondContact O-OG 2.74Å |
| 677 | C | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -36.6 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | F672 A673 S680 G681 L682 F804 F806 | F672-C677 WeakPolarHBondContact CE1-SG 3.3Å; F672-C677 PolarHBondContact O-N 2.82Å; F672-C677 PolarHBondContact O-SG 3.45Å; A673-C677 VanDerWaalsContact O-CB 3.28Å; A673-C677 WeakPolarHBondContact O-CB 3.34Å; C677-S680 WeakPolarHBondContact CA-OG 3.47Å; C677-S680 PolarHBondContact O-OG 3.33Å; C677-G681 WeakPolarHBondContact O-CA 3.37Å; C677-G681 PolarHBondContact O-N 3.18Å; C677-L682 WeakPolarHBondContact CA-O 3.28Å; C677-L682 WeakPolarHBondContact CB-O 3.4Å; C677-L682 PolarHBondContact SG-O 3.41Å; C677-F804 HydrophobicContact CB-CE1 4.34Å; C677-F804 HydrophobicContact CB-CZ 3.99Å; C677-F806 HydrophobicContact CB-CE1 4.08Å |
| 678 | R | 95.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 14 Ų | 14 | 25% | 0.245 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.8 | -68.4 | -169.9 | -163.2 | -94.2 | 4.7 | 112.8 | D674 I675 K676 F806 Y808 | D674-R678 WeakPolarHBondContact O-CD 3.36Å; D674-R678 WeakPolarHBondContact O-CG 3.35Å; D674-R678 PolarHBondContact O-NE 3.43Å; D674-R678 IonicContact OD1-CZ 3.63Å; D674-R678 IonicContact OD1-NE 2.68Å; D674-R678 IonicContact OD1-NH2 3.91Å; D674-R678 PolarHBondContact OD1-NH2 2.94Å; I675-R678 PolarHBondContact O-N 3.26Å; K676-R678 VanDerWaalsContact C-N 3.31Å; K676-R678 PolarHBondContact O-N 2.81Å; R678-F806 HydrophobicContact CB-CE1 4.36Å; R678-F806 HydrophobicContact CB-CZ 4.4Å; R678-F806 HydrophobicContact CG-CD1 3.82Å; R678-F806 HydrophobicContact CG-CE1 3.33Å; R678-F806 HydrophobicContact CG-CE2 4.19Å; R678-F806 HydrophobicContact CG-CG 4.43Å; R678-F806 HydrophobicContact CG-CZ 3.55Å; R678-Y808 PolarHBondContact NH2-O 3Å |
| 679 | A | 95.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 13.9 Ų | 13.9 | 28% | 0.281 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -74 | -32.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M567 I641 I675 K676 | M567-A679 HydrophobicContact CE-CB 3.26Å; I641-A679 HydrophobicContact CD1-CB 3.86Å; I675-A679 PolarHBondContact O-N 2.87Å; I675-A679 VanDerWaalsContact O-N 3.14Å; K676-A679 PolarHBondContact O-N 2.88Å |
| 680 | S | 96.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 13.9 Ų | 13.9 | 16% | 0.161 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -90 | -24.4 | -178.5 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | K676 C677 L682 | K676-S680 WeakPolarHBondContact O-CB 3.36Å; K676-S680 PolarHBondContact O-N 2.79Å; K676-S680 PolarHBondContact O-OG 2.74Å; C677-S680 WeakPolarHBondContact CA-OG 3.47Å; C677-S680 PolarHBondContact O-OG 3.33Å; S680-L682 PolarHBondContact O-N 3.46Å; S680-L682 WeakPolarHBondContact OG-CB 3.43Å; S680-L682 PolarHBondContact OG-N 3.11Å |
| 681 | G | 95.5 | Very high | 97 | Very high | 71 Ų | 71 | 13.9 Ų | 13.9 | 73% | 0.732 | 10% | 0.098 | S | C | * | . | trans | 71.1 | 8.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C677 | C677-G681 WeakPolarHBondContact O-CA 3.37Å; C677-G681 PolarHBondContact O-N 3.18Å | ||
| 682 | L | 96 | Very high | 97 | Very high | 20 Ų | 20 | 14 Ų | 14 | 11% | 0.105 | 10% | 0.099 | C | C | . | . | trans | -89.7 | 154.2 | 177.6 | -59.8 | 174.2 | 0 | 0 | 0 | 110.9 | Y363 D644 L645 L648 C677 S680 | Y363-L682 HydrophobicContact CD1-CB 4.09Å; Y363-L682 HydrophobicContact CE1-CB 3.85Å; Y363-L682 HydrophobicContact CE1-CD1 4.09Å; D644-L682 HydrophobicContact CB-CD1 4.4Å; L645-L682 HydrophobicContact CD2-CD1 3.98Å; L645-L682 HydrophobicContact CD2-CD2 4.11Å; L645-L682 HydrophobicContact CD2-CG 4.31Å; L645-L682 HydrophobicContact CG-CD1 4.39Å; L648-L682 HydrophobicContact CD1-CD1 3.71Å; L648-L682 HydrophobicContact CD1-CD2 3.79Å; L648-L682 HydrophobicContact CD1-CG 4.37Å; C677-L682 WeakPolarHBondContact CA-O 3.28Å; C677-L682 WeakPolarHBondContact CB-O 3.4Å; C677-L682 PolarHBondContact SG-O 3.41Å; S680-L682 PolarHBondContact O-N 3.46Å; S680-L682 WeakPolarHBondContact OG-CB 3.43Å; S680-L682 PolarHBondContact OG-N 3.11Å | ||
| 683 | A | 95.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 14.1 Ų | 14.1 | 31% | 0.314 | 10% | 0.099 | S | C | . | . | trans | -138.2 | 140.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F804 | A683-F804 HydrophobicContact CB-CB 3.9Å; A683-F804 HydrophobicContact CB-CD1 3.51Å; A683-F804 HydrophobicContact CB-CD2 4.08Å; A683-F804 HydrophobicContact CB-CE1 4.01Å; A683-F804 HydrophobicContact CB-CG 3.54Å; A683-F804 HydrophobicContact CB-CZ 4.48Å | ||
| 684 | P | 97 | Very high | 96.7 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.032 | 12% | 0.121 | C | C | . | . | trans | -73.3 | 135.3 | 178.4 | 30.3 | -32.4 | 0 | 0 | 0 | 110.6 | Y363 L365 F672 A686 V687 I741 | Y363-P684 HydrophobicContact CD1-CB 4.48Å; Y363-P684 CarbonylContact O-C 3.56Å; Y363-P684 VanDerWaalsContact O-CA 3.24Å; Y363-P684 WeakPolarHBondContact O-CA 3.37Å; L365-P684 HydrophobicContact CB-CB 4.07Å; F672-P684 HydrophobicContact CE1-CG 4.18Å; P684-A686 VanDerWaalsContact C-N 3.32Å; P684-V687 HydrophobicContact CG-CG2 4.33Å; P684-I741 HydrophobicContact CG-CD1 3.54Å; P684-I741 HydrophobicContact CG-CG1 4.44Å | ||
| 685 | D | 97.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 16.7 Ų | 16.7 | 17% | 0.171 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -70.5 | -30.4 | 173.2 | -66.7 | -98.2 | 0 | 0 | 0 | 111.7 | K362 Y363 C797 S800 | K362-D685 WeakPolarHBondContact CA-OD2 3.33Å; K362-D685 HydrophobicContact CD-CB 4.48Å; K362-D685 WeakPolarHBondContact CD-OD1 3.13Å; K362-D685 IonicContact NZ-OD1 2.66Å; K362-D685 PolarHBondContact NZ-OD1 3.33Å; Y363-D685 PolarHBondContact N-OD2 2.89Å; Y363-D685 PolarHBondContact O-N 2.84Å; D685-C797 HydrophobicContact CB-CB 4.09Å; D685-S800 WeakPolarHBondContact O-CB 3.39Å; D685-S800 PolarHBondContact O-OG 3.19Å |
| 686 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L365 P684 A796 | L365-A686 PolarHBondContact N-O 3.02Å; P684-A686 VanDerWaalsContact C-N 3.32Å; A686-A796 HydrophobicContact CB-CB 3.98Å |
| 687 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.9 | 173.5 | 176 | 0 | 0 | 0 | 0 | 109.8 | L365 T367 F669 P684 I736 I741 A742 A743 V744 | L365-V687 HydrophobicContact CB-CG2 4.3Å; L365-V687 HydrophobicContact CD2-CG2 4.37Å; L365-V687 CarbonylContact O-C 3.47Å; L365-V687 VanDerWaalsContact O-CA 3.29Å; L365-V687 WeakPolarHBondContact O-CA 3.43Å; T367-V687 HydrophobicContact CG2-CG1 3.62Å; F669-V687 HydrophobicContact CD2-CG2 4.2Å; F669-V687 HydrophobicContact CE2-CG2 3.72Å; F669-V687 HydrophobicContact CZ-CG2 4.31Å; P684-V687 HydrophobicContact CG-CG2 4.33Å; V687-I736 HydrophobicContact CB-CD1 4.31Å; V687-I736 HydrophobicContact CB-CG2 3.84Å; V687-I736 HydrophobicContact CG1-CD1 3.58Å; V687-I736 HydrophobicContact CG1-CG1 3.98Å; V687-I736 HydrophobicContact CG1-CG2 4.24Å; V687-I736 HydrophobicContact CG2-CG2 4.06Å; V687-I741 HydrophobicContact CB-CG2 4.35Å; V687-I741 HydrophobicContact CG2-CB 4.41Å; V687-I741 HydrophobicContact CG2-CD1 4.4Å; V687-I741 HydrophobicContact CG2-CG2 3.71Å; V687-A742 PolarHBondContact N-O 3.44Å; V687-A743 CarbonylContact O-C 3.57Å; V687-A743 WeakPolarHBondContact O-CA 3.37Å; V687-V744 PolarHBondContact O-N 3.02Å |
| 688 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.1 | 171 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | V364 L365 V366 T367 V381 L385 V744 A746 L789 V793 | V364-V688 HydrophobicContact CG1-CG2 3.92Å; L365-V688 PolarHBondContact O-N 2.88Å; V366-V688 HydrophobicContact CG1-CB 4.39Å; V366-V688 HydrophobicContact CG1-CG1 4.39Å; V366-V688 HydrophobicContact CG2-CB 4.19Å; T367-V688 PolarHBondContact N-O 2.86Å; V381-V688 HydrophobicContact CG1-CG1 4.41Å; L385-V688 HydrophobicContact CD2-CG2 4.03Å; V688-V744 CarbonylContact C-O 3.33Å; V688-V744 VanDerWaalsContact CA-O 3.26Å; V688-V744 WeakPolarHBondContact CA-O 3.48Å; V688-A746 HydrophobicContact CG1-CB 3.57Å; V688-L789 HydrophobicContact CG1-CD1 4.22Å; V688-L789 HydrophobicContact CG1-CD2 4.36Å; V688-V793 HydrophobicContact CG2-CG2 3.58Å |
| 689 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 107.6 | 177 | -179.3 | 69.1 | 0 | 0 | 0 | 109.8 | T367 S368 A665 V691 M729 H732 I733 I736 V744 V745 A746 | T367-L689 HydrophobicContact CG2-CD1 3.93Å; S368-L689 WeakPolarHBondContact O-CD1 3.42Å; A665-L689 HydrophobicContact CB-CD1 4.25Å; L689-V691 HydrophobicContact CD2-CG2 4.47Å; L689-V691 HydrophobicContact CG-CG2 4.27Å; L689-M729 HydrophobicContact CD2-CG 4.24Å; L689-H732 HydrophobicContact CD1-CB 3.9Å; L689-H732 HydrophobicContact CD2-CB 3.91Å; L689-I733 HydrophobicContact CD2-CG1 3.67Å; L689-I736 HydrophobicContact CB-CD1 4.07Å; L689-I736 HydrophobicContact CD1-CD1 4.18Å; L689-I736 HydrophobicContact CD2-CD1 4.48Å; L689-I736 HydrophobicContact CG-CD1 4.48Å; L689-V744 PolarHBondContact N-O 3.17Å; L689-V745 HydrophobicContact CB-CG2 4.46Å; L689-V745 HydrophobicContact CD2-CG2 4.31Å; L689-V745 WeakPolarHBondContact O-CA 3.4Å; L689-A746 PolarHBondContact O-N 2.83Å |
| 690 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.4 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | V366 T367 S368 M369 I376 V381 A746 N748 | V366-V690 HydrophobicContact CG1-CG2 3.64Å; T367-V690 WeakPolarHBondContact O-CB 3.47Å; T367-V690 WeakPolarHBondContact O-CG2 3.38Å; T367-V690 PolarHBondContact O-N 3.28Å; S368-V690 WeakPolarHBondContact CA-O 3.5Å; M369-V690 PolarHBondContact N-O 3.37Å; I376-V690 HydrophobicContact CG1-CG1 4.33Å; I376-V690 HydrophobicContact CG2-CG1 4.36Å; V381-V690 HydrophobicContact CB-CG2 3.81Å; V381-V690 HydrophobicContact CG1-CG2 3.86Å; V381-V690 HydrophobicContact CG2-CG1 3.94Å; V381-V690 HydrophobicContact CG2-CG2 3.99Å; V690-A746 WeakPolarHBondContact CA-O 3.34Å; V690-A746 HydrophobicContact CG2-CB 4.48Å; V690-N748 HydrophobicContact CG1-CB 4.16Å |
| 691 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.8 | -177.4 | 174 | 0 | 0 | 0 | 0 | 109.1 | M369 L689 L696 M729 V745 A746 I747 N748 V761 | M369-V691 HydrophobicContact CB-CG2 4.44Å; M369-V691 HydrophobicContact CG-CG2 4.24Å; M369-V691 HydrophobicContact SD-CB 4.24Å; M369-V691 HydrophobicContact SD-CG1 3.78Å; M369-V691 HydrophobicContact SD-CG2 4.08Å; L689-V691 HydrophobicContact CD2-CG2 4.47Å; L689-V691 HydrophobicContact CG-CG2 4.27Å; V691-L696 HydrophobicContact CG1-CD1 3.55Å; V691-L696 HydrophobicContact CG1-CD2 4.1Å; V691-L696 HydrophobicContact CG1-CG 3.79Å; V691-M729 HydrophobicContact CG1-SD 4.1Å; V691-M729 HydrophobicContact CG2-CG 3.86Å; V691-M729 HydrophobicContact CG2-SD 3.85Å; V691-V745 HydrophobicContact CB-CG1 4.27Å; V691-V745 HydrophobicContact CG2-CG1 3.84Å; V691-A746 PolarHBondContact N-O 3.43Å; V691-I747 CarbonylContact O-C 3.49Å; V691-I747 WeakPolarHBondContact O-CA 3.39Å; V691-N748 PolarHBondContact O-N 2.77Å; V691-V761 HydrophobicContact CG1-CG1 4.05Å |
| 692 | T | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | trans | -129.5 | 153.6 | 171.8 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | I376 A694 A695 L696 N748 F750 | I376-T692 HydrophobicContact CG1-CG2 3.51Å; I376-T692 WeakPolarHBondContact O-CG2 3.37Å; T692-A694 VanDerWaalsContact C-N 3.26Å; T692-A694 PolarHBondContact O-N 3.27Å; T692-A695 PolarHBondContact O-N 3.47Å; T692-A695 VanDerWaalsContact OG1-CB 3.27Å; T692-A695 WeakPolarHBondContact OG1-CB 3.28Å; T692-A695 PolarHBondContact OG1-N 2.74Å; T692-A695 VanDerWaalsContact OG1-N 3.14Å; T692-L696 WeakPolarHBondContact O-CG 3.38Å; T692-L696 PolarHBondContact O-N 2.93Å; T692-N748 HydrophobicContact CG2-CB 3.92Å; T692-F750 HydrophobicContact CG2-CD2 4.31Å; T692-F750 HydrophobicContact CG2-CE2 3.69Å | ||
| 693 | I | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 175 | -65.2 | -57.6 | 0 | 0 | 0 | 111.2 | L696 K697 I722 D753 E757 L758 V761 | I693-L696 HydrophobicContact CD1-CD1 4.36Å; I693-L696 PolarHBondContact O-N 3.07Å; I693-K697 HydrophobicContact CG2-CD 3.87Å; I693-K697 HydrophobicContact CG2-CG 4.36Å; I693-K697 WeakPolarHBondContact O-CG 3.26Å; I693-K697 PolarHBondContact O-N 3.45Å; I693-I722 HydrophobicContact CD1-CD1 4.28Å; I693-I722 HydrophobicContact CG2-CD1 4.05Å; I693-I722 HydrophobicContact CG2-CG1 4.32Å; I693-D753 WeakPolarHBondContact CB-OD1 3.33Å; I693-D753 HydrophobicContact CG1-CB 4.07Å; I693-E757 HydrophobicContact CD1-CB 3.99Å; I693-L758 HydrophobicContact CD1-CD2 4.08Å; I693-L758 HydrophobicContact CG1-CD2 3.97Å; I693-V761 HydrophobicContact CD1-CG2 3.86Å |
| 694 | A | 93.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 17.9 Ų | 17.9 | 46% | 0.455 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T692 L696 K697 R698 | T692-A694 VanDerWaalsContact C-N 3.26Å; T692-A694 PolarHBondContact O-N 3.27Å; A694-L696 VanDerWaalsContact C-N 3.35Å; A694-L696 PolarHBondContact O-N 3.21Å; A694-K697 PolarHBondContact O-N 3.39Å; A694-R698 WeakPolarHBondContact O-CB 3.47Å; A694-R698 PolarHBondContact O-N 3.45Å |
| 695 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M369 T372 I376 T692 R698 Q699 | M369-A695 HydrophobicContact CE-CB 4.41Å; M369-A695 HydrophobicContact CG-CB 4.35Å; M369-A695 HydrophobicContact SD-CB 3.96Å; T372-A695 HydrophobicContact CG2-CB 4.06Å; I376-A695 HydrophobicContact CD1-CB 3.67Å; I376-A695 HydrophobicContact CG1-CB 4.27Å; T692-A695 PolarHBondContact O-N 3.47Å; T692-A695 VanDerWaalsContact OG1-CB 3.27Å; T692-A695 WeakPolarHBondContact OG1-CB 3.28Å; T692-A695 PolarHBondContact OG1-N 2.74Å; T692-A695 VanDerWaalsContact OG1-N 3.14Å; A695-R698 PolarHBondContact O-N 3.01Å; A695-Q699 WeakPolarHBondContact O-CB 3.35Å; A695-Q699 WeakPolarHBondContact O-CG 3.29Å; A695-Q699 PolarHBondContact O-N 3.29Å |
| 696 | L | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 174.8 | -69.4 | 166.6 | 0 | 0 | 0 | 111.6 | M369 V691 T692 I693 A694 R698 Q699 G700 I722 G725 M729 V761 | M369-L696 HydrophobicContact CE-CD2 3.89Å; M369-L696 HydrophobicContact CE-CG 4.42Å; M369-L696 HydrophobicContact SD-CD2 3.84Å; M369-L696 HydrophobicContact SD-CG 4.02Å; V691-L696 HydrophobicContact CG1-CD1 3.55Å; V691-L696 HydrophobicContact CG1-CD2 4.1Å; V691-L696 HydrophobicContact CG1-CG 3.79Å; T692-L696 WeakPolarHBondContact O-CG 3.38Å; T692-L696 PolarHBondContact O-N 2.93Å; I693-L696 HydrophobicContact CD1-CD1 4.36Å; I693-L696 PolarHBondContact O-N 3.07Å; A694-L696 VanDerWaalsContact C-N 3.35Å; A694-L696 PolarHBondContact O-N 3.21Å; L696-R698 VanDerWaalsContact C-N 3.29Å; L696-R698 PolarHBondContact O-N 3.46Å; L696-Q699 CarbonylContact O-C 3.57Å; L696-Q699 PolarHBondContact O-N 3.44Å; L696-G700 PolarHBondContact O-N 2.96Å; L696-I722 HydrophobicContact CD1-CG2 4.32Å; L696-G725 VanDerWaalsContact O-CA 3.23Å; L696-G725 WeakPolarHBondContact O-CA 3.2Å; L696-M729 HydrophobicContact CD2-CB 4.13Å; L696-V761 HydrophobicContact CD1-CB 4.32Å; L696-V761 HydrophobicContact CD1-CG1 3.96Å; L696-V761 HydrophobicContact CD1-CG2 3.32Å |
| 697 | K | 95 | Very high | 86 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 177 | -73.1 | 171.9 | -178.4 | 176 | 0 | 111.4 | I693 A694 G700 G701 S702 S718 L721 I722 E757 | I693-K697 HydrophobicContact CG2-CD 3.87Å; I693-K697 HydrophobicContact CG2-CG 4.36Å; I693-K697 WeakPolarHBondContact O-CG 3.26Å; I693-K697 PolarHBondContact O-N 3.45Å; A694-K697 PolarHBondContact O-N 3.39Å; K697-G700 WeakPolarHBondContact O-CA 3.4Å; K697-G700 PolarHBondContact O-N 2.94Å; K697-G701 PolarHBondContact O-N 3.39Å; K697-S702 WeakPolarHBondContact O-CB 3.2Å; K697-S702 PolarHBondContact O-N 3.14Å; K697-S702 PolarHBondContact O-OG 2.97Å; K697-S702 VanDerWaalsContact O-OG 3.14Å; K697-S718 WeakPolarHBondContact CE-OG 3.4Å; K697-S718 PolarHBondContact NZ-OG 3.41Å; K697-L721 HydrophobicContact CB-CB 4.5Å; K697-L721 HydrophobicContact CG-CB 4.33Å; K697-I722 HydrophobicContact CG-CG1 3.91Å; K697-E757 IonicContact NZ-OE1 2.68Å; K697-E757 PolarHBondContact NZ-OE1 2.86Å; K697-E757 IonicContact NZ-OE2 3.47Å |
| 698 | R | 93 | Very high | 84.1 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -55.1 | 173.8 | -176.2 | 178.5 | 174.7 | 103.5 | 3.7 | 111.6 | T372 P373 A694 A695 L696 G700 G701 S702 E704 L870 | T372-R698 HydrophobicContact CG2-CB 4.43Å; P373-R698 VanDerWaalsContact CG-NH1 3.32Å; A694-R698 WeakPolarHBondContact O-CB 3.47Å; A694-R698 PolarHBondContact O-N 3.45Å; A695-R698 PolarHBondContact O-N 3.01Å; L696-R698 VanDerWaalsContact C-N 3.29Å; L696-R698 PolarHBondContact O-N 3.46Å; R698-G700 PolarHBondContact O-N 3.5Å; R698-G701 PolarHBondContact O-N 2.91Å; R698-S702 WeakPolarHBondContact CA-OG 3.39Å; R698-S702 PolarHBondContact N-OG 3.45Å; R698-E704 IonicContact CZ-OE1 3.21Å; R698-E704 IonicContact NH1-OE1 3.28Å; R698-E704 PolarHBondContact NH1-OE1 3.2Å; R698-E704 IonicContact NH2-OE1 3.97Å; R698-E704 PolarHBondContact NH2-OE1 3.19Å; R698-L870 WeakPolarHBondContact O-CD1 3.27Å |
| 699 | Q | 95.5 | Very high | 82.5 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -17.2 | 180 | -63.4 | -57.5 | -29.9 | 0 | 0 | 113.2 | M369 T370 A695 L696 G701 N728 L861 G871 | M369-Q699 HydrophobicContact CE-CB 4.29Å; M369-Q699 HydrophobicContact CE-CG 3.92Å; T370-Q699 VanDerWaalsContact CG2-NE2 3.27Å; A695-Q699 WeakPolarHBondContact O-CB 3.35Å; A695-Q699 WeakPolarHBondContact O-CG 3.29Å; A695-Q699 PolarHBondContact O-N 3.29Å; L696-Q699 CarbonylContact O-C 3.57Å; L696-Q699 PolarHBondContact O-N 3.44Å; Q699-G701 PolarHBondContact O-N 3.28Å; Q699-N728 HydrophobicContact CB-CB 3.82Å; Q699-N728 HydrophobicContact CG-CB 4.12Å; Q699-L861 PolarHBondContact NE2-O 3.46Å; Q699-G871 VanDerWaalsContact O-CA 3.27Å; Q699-G871 WeakPolarHBondContact O-CA 3.26Å; Q699-G871 PolarHBondContact O-N 3.49Å |
| 700 | G | 95.2 | Very high | 81.3 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -8.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L696 K697 R698 L721 R724 | L696-G700 PolarHBondContact O-N 2.96Å; K697-G700 WeakPolarHBondContact O-CA 3.4Å; K697-G700 PolarHBondContact O-N 2.94Å; R698-G700 PolarHBondContact O-N 3.5Å; G700-L721 WeakPolarHBondContact CA-O 3.46Å; G700-L721 WeakPolarHBondContact O-CD2 3.46Å; G700-R724 PolarHBondContact O-NE 3.25Å; G700-R724 PolarHBondContact O-NH1 3.01Å; G700-R724 PolarHBondContact O-NH2 3.14Å; G700-R724 VanDerWaalsContact O-NH2 3.15Å |
| 701 | G | 91.5 | Very high | 80.4 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.5 | 18 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K697 R698 Q699 G703 | K697-G701 PolarHBondContact O-N 3.39Å; R698-G701 PolarHBondContact O-N 2.91Å; Q699-G701 PolarHBondContact O-N 3.28Å; G701-G703 PolarHBondContact O-N 3.26Å; G701-G703 VanDerWaalsContact O-N 3.17Å |
| 702 | S | 85.2 | Confident | 79.8 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | trans | -67.5 | 114.5 | 168.2 | 76.1 | 0 | 0 | 0 | 0 | 109.3 | K697 R698 | K697-S702 WeakPolarHBondContact O-CB 3.2Å; K697-S702 PolarHBondContact O-N 3.14Å; K697-S702 PolarHBondContact O-OG 2.97Å; K697-S702 VanDerWaalsContact O-OG 3.14Å; R698-S702 WeakPolarHBondContact CA-OG 3.39Å; R698-S702 PolarHBondContact N-OG 3.45Å | ||
| 703 | G | 71.1 | Confident | 79.4 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | trans | -60.4 | 168.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G701 R708 | G701-G703 PolarHBondContact O-N 3.26Å; G701-G703 VanDerWaalsContact O-N 3.17Å; G703-R708 WeakPolarHBondContact O-CD 3.49Å | ||
| 704 | E | 60.8 | Low | 78.9 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | trans | -93.1 | 159.1 | -179.2 | -66.3 | -175.9 | 149.5 | 0 | 0 | 112.9 | R698 | R698-E704 IonicContact CZ-OE1 3.21Å; R698-E704 IonicContact NH1-OE1 3.28Å; R698-E704 PolarHBondContact NH1-OE1 3.2Å; R698-E704 IonicContact NH2-OE1 3.97Å; R698-E704 PolarHBondContact NH2-OE1 3.19Å | ||
| 705 | G | 54.3 | Low | 78.8 | Confident | 60 Ų | 60 | 60 Ų | 60 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 118 | 156.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115.8 | D707 R708 | G705-D707 PolarHBondContact O-N 3.13Å; G705-R708 PolarHBondContact O-N 3.34Å |
| 706 | A | 50.1 | Low | 78.6 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 87% | 0.868 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R708 | A706-R708 PolarHBondContact O-N 2.88Š|
| 707 | D | 44.6 | Very low | 78.3 | Confident | 171 Ų | 171 | 73.9 Ų | 73.9 | 91% | 0.914 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 4.8 | -178.1 | -66.4 | -23.5 | 0 | 0 | 0 | 113.6 | G705 | G705-D707 PolarHBondContact O-N 3.13Š|
| 708 | R | 58.5 | Low | 78.2 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -94.2 | 126.8 | 177.9 | -128.9 | 172.4 | -177.2 | -116.6 | -2.6 | 110.5 | G703 G705 A706 | G703-R708 WeakPolarHBondContact O-CD 3.49Å; G705-R708 PolarHBondContact O-N 3.34Å; A706-R708 PolarHBondContact O-N 2.88Å |
| 709 | S | 66 | Low | 78.2 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 72% | 0.72 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 134.8 | 171.4 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | I711 | S709-I711 PolarHBondContact O-N 2.97Š|
| 710 | P | 71.8 | Confident | 78.2 | Confident | 129 Ų | 129 | 76.3 Ų | 76.3 | 84% | 0.838 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 125.4 | 176.5 | 21.1 | -29.6 | 0 | 0 | 0 | 109.8 | Q712 | P710-Q712 PolarHBondContact O-N 3.09Š|
| 711 | I | 81.4 | Confident | 78.2 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 20% | 0.195 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 117.2 | 176.3 | -62.3 | 157.7 | 0 | 0 | 0 | 107.6 | S709 P713 L721 | S709-I711 PolarHBondContact O-N 2.97Å; I711-P713 WeakPolarHBondContact O-CD 2.85Å; I711-L721 HydrophobicContact CD1-CD1 3.47Å; I711-L721 VanDerWaalsContact CD1-CD1 3.47Å; I711-L721 HydrophobicContact CG1-CD1 4.36Å; I711-L721 HydrophobicContact CG2-CD1 4.5Å |
| 712 | Q | 85.1 | Confident | 78.5 | Confident | 149 Ų | 149 | 75.3 Ų | 75.3 | 70% | 0.696 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -63 | 122.5 | -178.8 | -172 | 174.8 | 8.5 | 0 | 0 | 110.2 | P710 G714 S715 S718 | P710-Q712 PolarHBondContact O-N 3.09Å; Q712-G714 PolarHBondContact O-N 2.83Å; Q712-S715 WeakPolarHBondContact O-CB 3.39Å; Q712-S715 PolarHBondContact O-N 3.44Å; Q712-S715 PolarHBondContact O-OG 3.49Å; Q712-S718 WeakPolarHBondContact O-CB 3.45Å |
| 713 | P | 87 | Confident | 79 | Confident | 53 Ų | 53 | 79 Ų | 79 | 34% | 0.344 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 137.3 | 176.1 | -26.1 | 34.9 | 0 | 0 | 0 | 111.7 | I711 S715 L754 | I711-P713 WeakPolarHBondContact O-CD 2.85Å; P713-S715 PolarHBondContact O-N 3.12Å; P713-L754 HydrophobicContact CB-CD1 3.82Å; P713-L754 HydrophobicContact CB-CG 3.91Å |
| 714 | G | 86 | Confident | 80.3 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 31% | 0.309 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -3.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q712 E757 | Q712-G714 PolarHBondContact O-N 2.83Å; G714-E757 PolarHBondContact N-OE1 3.14Å; G714-E757 VanDerWaalsContact N-OE1 3.11Å |
| 715 | S | 90.2 | Very high | 82 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -63.5 | 158.1 | 170.4 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | Q712 P713 E717 S718 L719 | Q712-S715 WeakPolarHBondContact O-CB 3.39Å; Q712-S715 PolarHBondContact O-N 3.44Å; Q712-S715 PolarHBondContact O-OG 3.49Å; P713-S715 PolarHBondContact O-N 3.12Å; S715-E717 PolarHBondContact O-N 3.41Å; S715-S718 WeakPolarHBondContact O-CB 3.35Å; S715-S718 PolarHBondContact O-N 3.1Å; S715-S718 VanDerWaalsContact OG-CB 3.3Å; S715-S718 WeakPolarHBondContact OG-CB 3.32Å; S715-S718 PolarHBondContact OG-N 3.49Å; S715-L719 PolarHBondContact O-N 2.94Å |
| 716 | E | 90.4 | Very high | 84.1 | Confident | 178 Ų | 178 | 74.2 Ų | 74.2 | 83% | 0.832 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.1 | -38.1 | 174.8 | -70 | -173 | 169.6 | 0 | 0 | 112.1 | S720 | E716-S720 VanDerWaalsContact O-CB 3.23Å; E716-S720 WeakPolarHBondContact O-CB 3.38Å; E716-S720 PolarHBondContact O-N 3Å |
| 717 | E | 91.3 | Very high | 86.4 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 173.5 | -174.5 | -175.9 | 177.5 | 0 | 0 | 111.2 | S715 L719 S720 L721 | S715-E717 PolarHBondContact O-N 3.41Å; E717-L719 PolarHBondContact O-N 3.45Å; E717-S720 PolarHBondContact O-N 2.82Å; E717-L721 HydrophobicContact CG-CD1 4.13Å; E717-L721 WeakPolarHBondContact O-CG 3.15Å; E717-L721 PolarHBondContact O-N 3.34Å |
| 718 | S | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 178.6 | -166.2 | 0 | 0 | 0 | 0 | 112 | K697 Q712 S715 S720 L721 I722 E757 | K697-S718 WeakPolarHBondContact CE-OG 3.4Å; K697-S718 PolarHBondContact NZ-OG 3.41Å; Q712-S718 WeakPolarHBondContact O-CB 3.45Å; S715-S718 WeakPolarHBondContact O-CB 3.35Å; S715-S718 PolarHBondContact O-N 3.1Å; S715-S718 VanDerWaalsContact OG-CB 3.3Å; S715-S718 WeakPolarHBondContact OG-CB 3.32Å; S715-S718 PolarHBondContact OG-N 3.49Å; S718-S720 PolarHBondContact O-N 2.77Å; S718-L721 PolarHBondContact O-N 3.27Å; S718-I722 WeakPolarHBondContact O-CD1 3.22Å; S718-I722 VanDerWaalsContact O-CG1 3.3Å; S718-I722 WeakPolarHBondContact O-CG1 3.45Å; S718-I722 PolarHBondContact O-N 3.33Å; S718-E757 PolarHBondContact OG-OE1 2.98Å |
| 719 | L | 94.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 179.3 | -67.7 | 174 | 0 | 0 | 0 | 111.6 | S715 E717 I722 Q723 E757 V760 | S715-L719 PolarHBondContact O-N 2.94Å; E717-L719 PolarHBondContact O-N 3.45Å; L719-I722 PolarHBondContact O-N 2.89Å; L719-Q723 WeakPolarHBondContact O-CB 3.48Å; L719-Q723 VanDerWaalsContact O-CG 3.25Å; L719-Q723 WeakPolarHBondContact O-CG 3.32Å; L719-Q723 PolarHBondContact O-N 2.82Å; L719-E757 HydrophobicContact CD2-CG 4.06Å; L719-V760 HydrophobicContact CD2-CG2 4.42Å |
| 720 | S | 95.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.6 | 179 | 0 | 0 | 0 | 0 | 112.1 | E716 E717 S718 Q723 R724 | E716-S720 VanDerWaalsContact O-CB 3.23Å; E716-S720 WeakPolarHBondContact O-CB 3.38Å; E716-S720 PolarHBondContact O-N 3Å; E717-S720 PolarHBondContact O-N 2.82Å; S718-S720 PolarHBondContact O-N 2.77Å; S720-Q723 PolarHBondContact O-N 3.18Å; S720-R724 WeakPolarHBondContact O-CG 3.21Å; S720-R724 PolarHBondContact O-N 2.9Å |
| 721 | L | 95.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.1 | -72.6 | 170.2 | 0 | 0 | 0 | 111.9 | K697 G700 I711 E717 S718 Q723 R724 G725 | K697-L721 HydrophobicContact CB-CB 4.5Å; K697-L721 HydrophobicContact CG-CB 4.33Å; G700-L721 WeakPolarHBondContact CA-O 3.46Å; G700-L721 WeakPolarHBondContact O-CD2 3.46Å; I711-L721 HydrophobicContact CD1-CD1 3.47Å; I711-L721 VanDerWaalsContact CD1-CD1 3.47Å; I711-L721 HydrophobicContact CG1-CD1 4.36Å; I711-L721 HydrophobicContact CG2-CD1 4.5Å; E717-L721 HydrophobicContact CG-CD1 4.13Å; E717-L721 WeakPolarHBondContact O-CG 3.15Å; E717-L721 PolarHBondContact O-N 3.34Å; S718-L721 PolarHBondContact O-N 3.27Å; L721-Q723 PolarHBondContact O-N 3.17Å; L721-R724 PolarHBondContact O-N 3.06Å; L721-G725 PolarHBondContact O-N 3.43Å |
| 722 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.4 | -69 | 161.4 | 0 | 0 | 0 | 110.4 | I693 L696 K697 S718 L719 R724 G725 C726 E757 V760 V761 | I693-I722 HydrophobicContact CD1-CD1 4.28Å; I693-I722 HydrophobicContact CG2-CD1 4.05Å; I693-I722 HydrophobicContact CG2-CG1 4.32Å; L696-I722 HydrophobicContact CD1-CG2 4.32Å; K697-I722 HydrophobicContact CG-CG1 3.91Å; S718-I722 WeakPolarHBondContact O-CD1 3.22Å; S718-I722 VanDerWaalsContact O-CG1 3.3Å; S718-I722 WeakPolarHBondContact O-CG1 3.45Å; S718-I722 PolarHBondContact O-N 3.33Å; L719-I722 PolarHBondContact O-N 2.89Å; I722-R724 VanDerWaalsContact C-N 3.34Å; I722-R724 PolarHBondContact O-N 2.98Å; I722-G725 CarbonylContact O-C 3.59Å; I722-G725 PolarHBondContact O-N 3.04Å; I722-C726 PolarHBondContact O-N 3.02Å; I722-C726 PolarHBondContact O-SG 2.97Å; I722-E757 HydrophobicContact CD1-CB 3.67Å; I722-E757 HydrophobicContact CD1-CG 3.54Å; I722-V760 HydrophobicContact CG2-CG1 4.23Å; I722-V761 HydrophobicContact CG2-CG2 3.84Å |
| 723 | Q | 97 | Very high | 95.1 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 179.7 | -75.2 | 177.3 | 7.9 | 0 | 0 | 112.5 | L719 S720 L721 C726 V760 | L719-Q723 WeakPolarHBondContact O-CB 3.48Å; L719-Q723 VanDerWaalsContact O-CG 3.25Å; L719-Q723 WeakPolarHBondContact O-CG 3.32Å; L719-Q723 PolarHBondContact O-N 2.82Å; S720-Q723 PolarHBondContact O-N 3.18Å; L721-Q723 PolarHBondContact O-N 3.17Å; Q723-C726 WeakPolarHBondContact O-CB 3.22Å; Q723-V760 HydrophobicContact CG-CG1 3.9Å |
| 724 | R | 96.8 | Very high | 95.6 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 174.3 | -71.5 | 171.6 | 61 | -167.2 | -3.6 | 111.7 | G700 S720 L721 I722 C726 N727 | G700-R724 PolarHBondContact O-NE 3.25Å; G700-R724 PolarHBondContact O-NH1 3.01Å; G700-R724 PolarHBondContact O-NH2 3.14Å; G700-R724 VanDerWaalsContact O-NH2 3.15Å; S720-R724 WeakPolarHBondContact O-CG 3.21Å; S720-R724 PolarHBondContact O-N 2.9Å; L721-R724 PolarHBondContact O-N 3.06Å; I722-R724 VanDerWaalsContact C-N 3.34Å; I722-R724 PolarHBondContact O-N 2.98Å; R724-C726 VanDerWaalsContact C-N 3.27Å; R724-C726 PolarHBondContact O-N 3.42Å; R724-N727 VanDerWaalsContact O-CB 3.28Å; R724-N727 WeakPolarHBondContact O-CB 2.74Å; R724-N727 PolarHBondContact O-N 3.18Å; R724-N727 VanDerWaalsContact O-N 3.09Å; R724-N727 PolarHBondContact O-ND2 2.99Å |
| 725 | G | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L696 L721 I722 N727 N728 M729 | L696-G725 VanDerWaalsContact O-CA 3.23Å; L696-G725 WeakPolarHBondContact O-CA 3.2Å; L721-G725 PolarHBondContact O-N 3.43Å; I722-G725 CarbonylContact O-C 3.59Å; I722-G725 PolarHBondContact O-N 3.04Å; G725-N727 PolarHBondContact O-N 3.09Å; G725-N727 VanDerWaalsContact O-N 3.11Å; G725-N728 VanDerWaalsContact O-CB 3.29Å; G725-N728 WeakPolarHBondContact O-CB 3.01Å; G725-N728 PolarHBondContact O-N 2.82Å; G725-M729 PolarHBondContact O-N 3.35Å |
| 726 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -24.8 | 174.1 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | I722 Q723 R724 N728 M729 I730 K764 | I722-C726 PolarHBondContact O-N 3.02Å; I722-C726 PolarHBondContact O-SG 2.97Å; Q723-C726 WeakPolarHBondContact O-CB 3.22Å; R724-C726 VanDerWaalsContact C-N 3.27Å; R724-C726 PolarHBondContact O-N 3.42Å; C726-N728 VanDerWaalsContact C-N 3.26Å; C726-N728 PolarHBondContact O-N 3.03Å; C726-M729 HydrophobicContact CB-CE 4.15Å; C726-M729 PolarHBondContact O-N 2.79Å; C726-I730 WeakPolarHBondContact O-CB 3.3Å; C726-I730 WeakPolarHBondContact O-CD1 3.41Å; C726-I730 WeakPolarHBondContact O-CG1 3.3Å; C726-I730 PolarHBondContact O-N 3.18Å; C726-K764 HydrophobicContact CB-CB 4.06Å; C726-K764 HydrophobicContact CB-CG 4.15Å |
| 727 | N | 98.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 172.9 | -66.5 | -28.3 | 0 | 0 | 0 | 111.9 | R724 G725 I730 H731 V872 | R724-N727 VanDerWaalsContact O-CB 3.28Å; R724-N727 WeakPolarHBondContact O-CB 2.74Å; R724-N727 PolarHBondContact O-N 3.18Å; R724-N727 VanDerWaalsContact O-N 3.09Å; R724-N727 PolarHBondContact O-ND2 2.99Å; G725-N727 PolarHBondContact O-N 3.09Å; G725-N727 VanDerWaalsContact O-N 3.11Å; N727-I730 PolarHBondContact O-N 2.85Å; N727-H731 PolarHBondContact O-N 3.44Å; N727-V872 HydrophobicContact CB-CG2 4.14Å; N727-V872 VanDerWaalsContact O-CG2 3.25Å; N727-V872 WeakPolarHBondContact O-CG2 3.33Å |
| 728 | N | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 173.6 | -172.5 | -89.6 | 0 | 0 | 0 | 110.6 | M369 T370 Q699 G725 C726 I730 H731 H732 I863 G871 | M369-N728 HydrophobicContact CE-CB 4.03Å; M369-N728 VanDerWaalsContact CE-OD1 3.26Å; M369-N728 WeakPolarHBondContact CE-OD1 3.48Å; T370-N728 WeakPolarHBondContact CB-OD1 3.45Å; T370-N728 VanDerWaalsContact OG1-CG 3.23Å; T370-N728 PolarHBondContact OG1-ND2 3.09Å; T370-N728 PolarHBondContact OG1-OD1 2.86Å; Q699-N728 HydrophobicContact CB-CB 3.82Å; Q699-N728 HydrophobicContact CG-CB 4.12Å; G725-N728 VanDerWaalsContact O-CB 3.29Å; G725-N728 WeakPolarHBondContact O-CB 3.01Å; G725-N728 PolarHBondContact O-N 2.82Å; C726-N728 VanDerWaalsContact C-N 3.26Å; C726-N728 PolarHBondContact O-N 3.03Å; N728-I730 VanDerWaalsContact C-N 3.31Å; N728-I730 PolarHBondContact O-N 2.78Å; N728-H731 VanDerWaalsContact O-CB 3.3Å; N728-H731 WeakPolarHBondContact O-CB 3.38Å; N728-H731 PolarHBondContact O-N 3.32Å; N728-H731 VanDerWaalsContact O-N 3.09Å; N728-H732 PolarHBondContact O-CD2 3.03Å; N728-H732 PolarHBondContact O-N 3.12Å; N728-H732 VanDerWaalsContact O-N 3.09Å; N728-H732 PolarHBondContact OD1-CD2 2.91Å; N728-H732 VanDerWaalsContact OD1-CD2 3.25Å; N728-H732 PolarHBondContact OD1-NE2 2.97Å; N728-I863 VanDerWaalsContact ND2-CD1 3.26Å; N728-I863 WeakPolarHBondContact ND2-CD1 3.37Å; N728-G871 PolarHBondContact ND2-O 3.42Å |
| 729 | M | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | 174.5 | 175.9 | -173.1 | 68.4 | 0 | 0 | 112.2 | L689 V691 L696 G725 C726 H731 H732 I733 V745 V761 K764 A765 | L689-M729 HydrophobicContact CD2-CG 4.24Å; V691-M729 HydrophobicContact CG1-SD 4.1Å; V691-M729 HydrophobicContact CG2-CG 3.86Å; V691-M729 HydrophobicContact CG2-SD 3.85Å; L696-M729 HydrophobicContact CD2-CB 4.13Å; G725-M729 PolarHBondContact O-N 3.35Å; C726-M729 HydrophobicContact CB-CE 4.15Å; C726-M729 PolarHBondContact O-N 2.79Å; M729-H731 VanDerWaalsContact C-N 3.28Å; M729-H731 PolarHBondContact O-N 3.1Å; M729-H732 PolarHBondContact O-N 2.94Å; M729-H732 VanDerWaalsContact O-N 3.17Å; M729-I733 HydrophobicContact CG-CD1 4.04Å; M729-I733 WeakPolarHBondContact O-CG1 3.4Å; M729-I733 PolarHBondContact O-N 3Å; M729-V745 HydrophobicContact SD-CG1 4.08Å; M729-V761 HydrophobicContact CE-CG1 4.11Å; M729-V761 HydrophobicContact SD-CG1 3.75Å; M729-K764 HydrophobicContact CE-CB 4.08Å; M729-A765 HydrophobicContact CE-CB 3.84Å; M729-A765 HydrophobicContact SD-CB 4.15Å |
| 730 | I | 98.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 177 | -71 | 163.6 | 0 | 0 | 0 | 110.8 | C726 N727 N728 I733 K734 A768 | C726-I730 WeakPolarHBondContact O-CB 3.3Å; C726-I730 WeakPolarHBondContact O-CD1 3.41Å; C726-I730 WeakPolarHBondContact O-CG1 3.3Å; C726-I730 PolarHBondContact O-N 3.18Å; N727-I730 PolarHBondContact O-N 2.85Å; N728-I730 VanDerWaalsContact C-N 3.31Å; N728-I730 PolarHBondContact O-N 2.78Å; I730-I733 PolarHBondContact O-N 2.78Å; I730-K734 HydrophobicContact CG2-CD 4.36Å; I730-K734 WeakPolarHBondContact O-CG 3.45Å; I730-K734 PolarHBondContact O-N 2.75Å; I730-A768 HydrophobicContact CB-CB 4.31Å; I730-A768 HydrophobicContact CG1-CB 3.79Å; I730-A768 HydrophobicContact CG2-CB 4.15Å |
| 731 | H | 98.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 12% | 0.116 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.9 | -173.2 | 92.1 | 0 | 0 | 0 | 111.7 | N727 N728 M729 I733 K734 C735 I825 I863 V872 | N727-H731 PolarHBondContact O-N 3.44Å; N728-H731 VanDerWaalsContact O-CB 3.3Å; N728-H731 WeakPolarHBondContact O-CB 3.38Å; N728-H731 PolarHBondContact O-N 3.32Å; N728-H731 VanDerWaalsContact O-N 3.09Å; M729-H731 VanDerWaalsContact C-N 3.28Å; M729-H731 PolarHBondContact O-N 3.1Å; H731-I733 PolarHBondContact O-N 3.36Å; H731-K734 WeakPolarHBondContact O-CB 3.49Å; H731-K734 PolarHBondContact O-N 2.83Å; H731-K734 VanDerWaalsContact O-N 3.09Å; H731-C735 VanDerWaalsContact CD2-SG 3.56Å; H731-C735 PolarHBondContact O-N 3.18Å; H731-C735 PolarHBondContact O-SG 2.75Å; H731-C735 VanDerWaalsContact O-SG 3.32Å; H731-I825 PolarHBondContact CE1-O 3.35Å; H731-I825 PolarHBondContact NE2-O 3.23Å; H731-I863 HydrophobicContact CB-CD1 3.95Å; H731-I863 VanDerWaalsContact CD2-CD1 3.43Å; H731-I863 WeakPolarHBondContact CD2-CD1 3.29Å; H731-V872 HydrophobicContact CB-CG1 4.47Å; H731-V872 HydrophobicContact CB-CG2 3.91Å |
| 732 | H | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.8 | -74.4 | -80.2 | 0 | 0 | 0 | 112.9 | T370 A665 D666 L689 N728 M729 K734 C735 I736 | T370-H732 PolarHBondContact N-NE2 3.44Å; T370-H732 VanDerWaalsContact N-NE2 3.17Å; T370-H732 PolarHBondContact OG1-NE2 3.38Å; A665-H732 HydrophobicContact CB-CB 3.92Å; A665-H732 VanDerWaalsContact CB-ND1 3.3Å; A665-H732 WeakPolarHBondContact CB-ND1 3.45Å; A665-H732 PolarHBondContact N-ND1 3.19Å; D666-H732 IonicContact OD1-CE1 3.23Å; D666-H732 PolarHBondContact OD1-CE1 3.23Å; D666-H732 IonicContact OD1-ND1 3.45Å; L689-H732 HydrophobicContact CD1-CB 3.9Å; L689-H732 HydrophobicContact CD2-CB 3.91Å; N728-H732 PolarHBondContact O-CD2 3.03Å; N728-H732 PolarHBondContact O-N 3.12Å; N728-H732 VanDerWaalsContact O-N 3.09Å; N728-H732 PolarHBondContact OD1-CD2 2.91Å; N728-H732 VanDerWaalsContact OD1-CD2 3.25Å; N728-H732 PolarHBondContact OD1-NE2 2.97Å; M729-H732 PolarHBondContact O-N 2.94Å; M729-H732 VanDerWaalsContact O-N 3.17Å; H732-K734 VanDerWaalsContact C-N 3.32Å; H732-K734 PolarHBondContact O-N 2.7Å; H732-C735 WeakPolarHBondContact O-CB 3.23Å; H732-C735 PolarHBondContact O-N 2.87Å; H732-I736 WeakPolarHBondContact O-CG1 3.18Å; H732-I736 PolarHBondContact O-N 2.96Å |
| 733 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 172.8 | -67.2 | 164.5 | 0 | 0 | 0 | 110.4 | L689 M729 I730 H731 I736 R737 A743 V745 A765 A768 A770 | L689-I733 HydrophobicContact CD2-CG1 3.67Å; M729-I733 HydrophobicContact CG-CD1 4.04Å; M729-I733 WeakPolarHBondContact O-CG1 3.4Å; M729-I733 PolarHBondContact O-N 3Å; I730-I733 PolarHBondContact O-N 2.78Å; H731-I733 PolarHBondContact O-N 3.36Å; I733-I736 PolarHBondContact O-N 3.07Å; I733-R737 WeakPolarHBondContact O-CG 3.46Å; I733-R737 PolarHBondContact O-N 2.98Å; I733-A743 HydrophobicContact CG2-CB 4.35Å; I733-V745 HydrophobicContact CD1-CG2 3.91Å; I733-V745 HydrophobicContact CG1-CG2 4.18Å; I733-A765 HydrophobicContact CD1-CB 4.27Å; I733-A768 HydrophobicContact CD1-CB 3.8Å; I733-A768 HydrophobicContact CG2-CB 4.26Å; I733-A770 HydrophobicContact CD1-CB 4.15Å |
| 734 | K | 97.6 | Very high | 97.3 | Very high | 122 Ų | 122 | 33.3 Ų | 33.3 | 53% | 0.53 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.8 | -70.5 | 173.4 | -179.1 | -179.9 | 0 | 112 | I730 H731 H732 I736 R737 K738 | I730-K734 HydrophobicContact CG2-CD 4.36Å; I730-K734 WeakPolarHBondContact O-CG 3.45Å; I730-K734 PolarHBondContact O-N 2.75Å; H731-K734 WeakPolarHBondContact O-CB 3.49Å; H731-K734 PolarHBondContact O-N 2.83Å; H731-K734 VanDerWaalsContact O-N 3.09Å; H732-K734 VanDerWaalsContact C-N 3.32Å; H732-K734 PolarHBondContact O-N 2.7Å; K734-I736 VanDerWaalsContact C-N 3.32Å; K734-I736 PolarHBondContact O-N 3.35Å; K734-R737 PolarHBondContact O-N 3.27Å; K734-K738 WeakPolarHBondContact O-CG 3.49Å; K734-K738 PolarHBondContact O-N 3.45Å |
| 735 | C | 97.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 111 | H731 H732 R737 K738 F739 I825 | H731-C735 VanDerWaalsContact CD2-SG 3.56Å; H731-C735 PolarHBondContact O-N 3.18Å; H731-C735 PolarHBondContact O-SG 2.75Å; H731-C735 VanDerWaalsContact O-SG 3.32Å; H732-C735 WeakPolarHBondContact O-CB 3.23Å; H732-C735 PolarHBondContact O-N 2.87Å; C735-R737 PolarHBondContact O-N 3.48Å; C735-K738 WeakPolarHBondContact O-CB 3.39Å; C735-K738 PolarHBondContact O-N 3.39Å; C735-F739 VanDerWaalsContact O-CD2 3.3Å; C735-F739 WeakPolarHBondContact O-CD2 3.37Å; C735-I825 HydrophobicContact CB-CD1 4.35Å |
| 736 | I | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60 | -47 | 177.3 | -65.7 | 162.9 | 0 | 0 | 0 | 111.5 | T367 A665 F669 V687 L689 H732 I733 K734 K738 F739 I741 A743 | T367-I736 HydrophobicContact CG2-CD1 4.23Å; A665-I736 HydrophobicContact CB-CD1 4.26Å; A665-I736 HydrophobicContact CB-CG1 4.08Å; F669-I736 HydrophobicContact CD1-CG1 3.98Å; F669-I736 HydrophobicContact CE1-CB 4.23Å; F669-I736 HydrophobicContact CE1-CG1 4.03Å; F669-I736 HydrophobicContact CZ-CG2 4.44Å; V687-I736 HydrophobicContact CB-CD1 4.31Å; V687-I736 HydrophobicContact CB-CG2 3.84Å; V687-I736 HydrophobicContact CG1-CD1 3.58Å; V687-I736 HydrophobicContact CG1-CG1 3.98Å; V687-I736 HydrophobicContact CG1-CG2 4.24Å; V687-I736 HydrophobicContact CG2-CG2 4.06Å; L689-I736 HydrophobicContact CB-CD1 4.07Å; L689-I736 HydrophobicContact CD1-CD1 4.18Å; L689-I736 HydrophobicContact CD2-CD1 4.48Å; L689-I736 HydrophobicContact CG-CD1 4.48Å; H732-I736 WeakPolarHBondContact O-CG1 3.18Å; H732-I736 PolarHBondContact O-N 2.96Å; I733-I736 PolarHBondContact O-N 3.07Å; K734-I736 VanDerWaalsContact C-N 3.32Å; K734-I736 PolarHBondContact O-N 3.35Å; I736-K738 VanDerWaalsContact C-N 3.26Å; I736-K738 PolarHBondContact O-N 2.84Å; I736-F739 PolarHBondContact O-N 3.05Å; I736-F739 VanDerWaalsContact O-N 3.16Å; I736-I741 HydrophobicContact CG2-CB 4.32Å; I736-A743 HydrophobicContact CB-CB 4.18Å; I736-A743 HydrophobicContact CD1-CB 3.99Å; I736-A743 HydrophobicContact CG2-CB 3.87Å |
| 737 | R | 95.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 26.8 Ų | 26.8 | 53% | 0.525 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66 | -25 | -178 | -70.8 | -176.4 | 67.8 | -167.6 | 0.5 | 113.9 | I733 K734 C735 F739 G740 | I733-R737 WeakPolarHBondContact O-CG 3.46Å; I733-R737 PolarHBondContact O-N 2.98Å; K734-R737 PolarHBondContact O-N 3.27Å; C735-R737 PolarHBondContact O-N 3.48Å; R737-F739 PolarHBondContact O-N 3.3Å; R737-G740 PolarHBondContact O-N 2.99Å |
| 738 | K | 95.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 22.8 Ų | 22.8 | 36% | 0.361 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.7 | -27.6 | 174.4 | -79.5 | 177.1 | 170 | -74.6 | 0 | 112.9 | K734 C735 I736 G740 C805 L807 E824 I825 | K734-K738 WeakPolarHBondContact O-CG 3.49Å; K734-K738 PolarHBondContact O-N 3.45Å; C735-K738 WeakPolarHBondContact O-CB 3.39Å; C735-K738 PolarHBondContact O-N 3.39Å; I736-K738 VanDerWaalsContact C-N 3.26Å; I736-K738 PolarHBondContact O-N 2.84Å; K738-G740 VanDerWaalsContact C-N 3.31Å; K738-C805 PolarHBondContact O-SG 3.46Å; K738-C805 VanDerWaalsContact O-SG 3.36Å; K738-L807 HydrophobicContact CD-CD1 4.43Å; K738-E824 HydrophobicContact CD-CB 4.42Å; K738-E824 VanDerWaalsContact CE-O 3.23Å; K738-E824 WeakPolarHBondContact CE-O 3.45Å; K738-E824 IonicContact NZ-OE2 3.58Å; K738-E824 PolarHBondContact NZ-OE2 3.43Å; K738-I825 HydrophobicContact CD-CD1 4.03Å |
| 739 | F | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.7 | 176.3 | -65.9 | -99.5 | 0 | 0 | 0 | 112.9 | F669 E670 A673 D674 C735 I736 R737 I741 F804 C805 L807 I825 | F669-F739 HydrophobicContact CD1-CD2 4.44Å; F669-F739 HydrophobicContact CD1-CE2 4.46Å; F669-F739 HydrophobicContact CE1-CB 4.36Å; F669-F739 AromaticContact CE1-CD2 3.4Å; F669-F739 HydrophobicContact CE1-CD2 3.4Å; F669-F739 AromaticContact CE1-CE2 3.81Å; F669-F739 HydrophobicContact CE1-CE2 3.81Å; F669-F739 AromaticContact CE1-CG 3.97Å; F669-F739 HydrophobicContact CE1-CG 3.97Å; F669-F739 HydrophobicContact CZ-CB 3.94Å; F669-F739 AromaticContact CZ-CD2 3.82Å; F669-F739 HydrophobicContact CZ-CD2 3.82Å; F669-F739 HydrophobicContact CZ-CE2 4.49Å; F669-F739 AromaticContact CZ-CG 3.9Å; F669-F739 HydrophobicContact CZ-CG 3.9Å; E670-F739 HydrophobicContact CG-CZ 4.34Å; A673-F739 HydrophobicContact CB-CD1 3.48Å; A673-F739 VanDerWaalsContact CB-CD1 3.48Å; A673-F739 HydrophobicContact CB-CE1 3.36Å; A673-F739 HydrophobicContact CB-CG 4.26Å; A673-F739 HydrophobicContact CB-CZ 4.06Å; D674-F739 WeakPolarHBondContact OD2-CE1 3.27Å; D674-F739 VanDerWaalsContact OD2-CZ 3.31Å; D674-F739 WeakPolarHBondContact OD2-CZ 3.43Å; C735-F739 VanDerWaalsContact O-CD2 3.3Å; C735-F739 WeakPolarHBondContact O-CD2 3.37Å; I736-F739 PolarHBondContact O-N 3.05Å; I736-F739 VanDerWaalsContact O-N 3.16Å; R737-F739 PolarHBondContact O-N 3.3Å; F739-I741 HydrophobicContact CB-CD1 4.03Å; F739-I741 PolarHBondContact O-N 3.13Å; F739-F804 HydrophobicContact CB-CD2 4.42Å; F739-F804 HydrophobicContact CB-CE2 4.28Å; F739-F804 HydrophobicContact CD1-CE2 4.26Å; F739-F804 VanDerWaalsContact O-CA 3.3Å; F739-F804 WeakPolarHBondContact O-CA 3.42Å; F739-C805 WeakPolarHBondContact CA-O 3.37Å; F739-C805 WeakPolarHBondContact CD1-O 3.4Å; F739-C805 PolarHBondContact O-N 3.31Å; F739-C805 VanDerWaalsContact O-N 3.07Å; F739-L807 HydrophobicContact CE1-CB 3.9Å; F739-L807 HydrophobicContact CZ-CB 3.72Å; F739-I825 HydrophobicContact CE2-CD1 4.3Å |
| 740 | G | 95 | Very high | 96.9 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 37% | 0.371 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 18.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R737 K738 | R737-G740 PolarHBondContact O-N 2.99Å; K738-G740 VanDerWaalsContact C-N 3.31Å |
| 741 | I | 95.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.046 | 18% | 0.179 | C | C | . | . | trans | -106.1 | 145 | -176.5 | -57.3 | 153.2 | 0 | 0 | 0 | 111.4 | F669 P684 V687 I736 F739 F804 | F669-I741 HydrophobicContact CE2-CD1 3.95Å; F669-I741 HydrophobicContact CZ-CD1 3.82Å; P684-I741 HydrophobicContact CG-CD1 3.54Å; P684-I741 HydrophobicContact CG-CG1 4.44Å; V687-I741 HydrophobicContact CB-CG2 4.35Å; V687-I741 HydrophobicContact CG2-CB 4.41Å; V687-I741 HydrophobicContact CG2-CD1 4.4Å; V687-I741 HydrophobicContact CG2-CG2 3.71Å; I736-I741 HydrophobicContact CG2-CB 4.32Å; F739-I741 HydrophobicContact CB-CD1 4.03Å; F739-I741 PolarHBondContact O-N 3.13Å; I741-F804 HydrophobicContact CD1-CD2 3.54Å; I741-F804 HydrophobicContact CD1-CE2 3.84Å; I741-F804 HydrophobicContact CG1-CD2 3.93Å | ||
| 742 | A | 95.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 129.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V687 F771 | V687-A742 PolarHBondContact N-O 3.44Å; A742-F771 HydrophobicContact CB-CB 4.16Å; A742-F771 HydrophobicContact CB-CD2 4.37Å; A742-F771 HydrophobicContact CB-CG 4.45Å |
| 743 | A | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V687 I733 I736 A770 F771 | V687-A743 CarbonylContact O-C 3.57Å; V687-A743 WeakPolarHBondContact O-CA 3.37Å; I733-A743 HydrophobicContact CG2-CB 4.35Å; I736-A743 HydrophobicContact CB-CB 4.18Å; I736-A743 HydrophobicContact CD1-CB 3.99Å; I736-A743 HydrophobicContact CG2-CB 3.87Å; A743-A770 CarbonylContact O-C 3.54Å; A743-A770 WeakPolarHBondContact O-CA 3.13Å; A743-F771 WeakPolarHBondContact O-CB 3.42Å; A743-F771 PolarHBondContact O-N 3.38Å |
| 744 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | V687 V688 L689 F771 L789 T792 V793 A796 | V687-V744 PolarHBondContact O-N 3.02Å; V688-V744 CarbonylContact C-O 3.33Å; V688-V744 VanDerWaalsContact CA-O 3.26Å; V688-V744 WeakPolarHBondContact CA-O 3.48Å; L689-V744 PolarHBondContact N-O 3.17Å; V744-F771 HydrophobicContact CG2-CB 4.36Å; V744-F771 HydrophobicContact CG2-CD1 4.06Å; V744-L789 HydrophobicContact CG1-CD1 3.78Å; V744-T792 HydrophobicContact CG1-CG2 3.63Å; V744-T792 HydrophobicContact CG2-CG2 4.26Å; V744-V793 HydrophobicContact CG1-CG2 4.44Å; V744-A796 HydrophobicContact CG2-CB 3.72Å |
| 745 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.1 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 110 | L689 V691 M729 I733 I747 A765 A770 S772 A773 V774 | L689-V745 HydrophobicContact CB-CG2 4.46Å; L689-V745 HydrophobicContact CD2-CG2 4.31Å; L689-V745 WeakPolarHBondContact O-CA 3.4Å; V691-V745 HydrophobicContact CB-CG1 4.27Å; V691-V745 HydrophobicContact CG2-CG1 3.84Å; M729-V745 HydrophobicContact SD-CG1 4.08Å; I733-V745 HydrophobicContact CD1-CG2 3.91Å; I733-V745 HydrophobicContact CG1-CG2 4.18Å; V745-I747 HydrophobicContact CG1-CG1 4.06Å; V745-A765 HydrophobicContact CB-CB 4.15Å; V745-A765 HydrophobicContact CG1-CB 4.32Å; V745-A765 HydrophobicContact CG2-CB 3.84Å; V745-A770 HydrophobicContact CG2-CB 3.84Å; V745-S772 PolarHBondContact N-O 3.08Å; V745-A773 HydrophobicContact CB-CB 4.01Å; V745-A773 CarbonylContact O-C 3.56Å; V745-A773 WeakPolarHBondContact O-CA 3.46Å; V745-V774 PolarHBondContact O-N 3.03Å |
| 746 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 106 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V381 V688 L689 V690 V691 N748 L789 | V381-A746 HydrophobicContact CG1-CB 4Å; V688-A746 HydrophobicContact CG1-CB 3.57Å; L689-A746 PolarHBondContact O-N 2.83Å; V690-A746 WeakPolarHBondContact CA-O 3.34Å; V690-A746 HydrophobicContact CG2-CB 4.48Å; V691-A746 PolarHBondContact N-O 3.43Å; A746-N748 PolarHBondContact O-N 3.14Å; A746-L789 HydrophobicContact CB-CD1 3.95Å; A746-L789 HydrophobicContact CB-CD2 4Å |
| 747 | I | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 97 | 178 | -48.6 | 167.4 | 0 | 0 | 0 | 107.4 | V691 V745 R749 L758 V761 K762 V774 V775 C776 | V691-I747 CarbonylContact O-C 3.49Å; V691-I747 WeakPolarHBondContact O-CA 3.39Å; V745-I747 HydrophobicContact CG1-CG1 4.06Å; I747-R749 PolarHBondContact O-N 3.3Å; I747-L758 HydrophobicContact CG2-CD2 3.5Å; I747-V761 HydrophobicContact CD1-CB 3.93Å; I747-V761 HydrophobicContact CD1-CG1 3.72Å; I747-V761 HydrophobicContact CG1-CG1 3.89Å; I747-V761 HydrophobicContact CG2-CG1 4.46Å; I747-K762 HydrophobicContact CD1-CB 4.42Å; I747-K762 HydrophobicContact CD1-CG 3.49Å; I747-K762 VanDerWaalsContact CD1-CG 3.49Å; I747-V774 PolarHBondContact N-O 2.86Å; I747-V775 HydrophobicContact CB-CG2 4.19Å; I747-V775 HydrophobicContact CD1-CG2 4.16Å; I747-V775 WeakPolarHBondContact O-CA 3.35Å; I747-C776 PolarHBondContact O-N 3.19Å |
| 748 | N | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 111.8 | -179 | -179.5 | 28.3 | 0 | 0 | 0 | 109.7 | I376 V381 V690 V691 T692 A746 | I376-N748 PolarHBondContact O-ND2 2.88Å; V381-N748 HydrophobicContact CG2-CB 4.01Å; V690-N748 HydrophobicContact CG1-CB 4.16Å; V691-N748 PolarHBondContact O-N 2.77Å; T692-N748 HydrophobicContact CG2-CB 3.92Å; A746-N748 PolarHBondContact O-N 3.14Å |
| 749 | R | 95.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | trans | -81.2 | 135.2 | -173.7 | 175.6 | 178.7 | -75.1 | -160.4 | -8.5 | 111.1 | I747 D755 L758 V775 C776 | I747-R749 PolarHBondContact O-N 3.3Å; R749-D755 IonicContact CZ-OD1 2.76Å; R749-D755 IonicContact NH1-OD1 2.75Å; R749-D755 IonicContact NH2-OD1 2.68Å; R749-D755 PolarHBondContact NH2-OD1 3.09Å; R749-L758 VanDerWaalsContact NE-CD1 3.35Å; R749-V775 HydrophobicContact CB-CG1 4.02Å; R749-C776 WeakPolarHBondContact CB-O 3.35Å; R749-C776 PolarHBondContact N-O 2.83Å | ||
| 750 | F | 91 | Very high | 95.4 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | trans | -109.6 | 159.9 | 167.4 | -75.9 | -108.6 | 0 | 0 | 0 | 110.4 | T692 T752 D753 | T692-F750 HydrophobicContact CG2-CD2 4.31Å; T692-F750 HydrophobicContact CG2-CE2 3.69Å; F750-T752 PolarHBondContact O-N 2.79Å; F750-T752 VanDerWaalsContact O-N 3.08Å; F750-D753 PolarHBondContact N-OD2 3.3Å; F750-D753 WeakPolarHBondContact O-CB 3.46Å; F750-D753 PolarHBondContact O-N 2.83Å | ||
| 751 | S | 87.5 | Confident | 95.6 | Very high | 119 Ų | 119 | 38.6 Ų | 38.6 | 83% | 0.832 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.5 | -175.7 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 752 | T | 88.7 | Confident | 95.7 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 56% | 0.564 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.4 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | F750 | F750-T752 PolarHBondContact O-N 2.79Å; F750-T752 VanDerWaalsContact O-N 3.08Å |
| 753 | D | 93.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | trans | -80.8 | 136.9 | -174.7 | -61.9 | -19.9 | 0 | 0 | 0 | 110.8 | I693 F750 L758 | I693-D753 WeakPolarHBondContact CB-OD1 3.33Å; I693-D753 HydrophobicContact CG1-CB 4.07Å; F750-D753 PolarHBondContact N-OD2 3.3Å; F750-D753 WeakPolarHBondContact O-CB 3.46Å; F750-D753 PolarHBondContact O-N 2.83Å; D753-L758 HydrophobicContact CB-CD2 4.39Å | ||
| 754 | L | 95 | Very high | 95.9 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 37% | 0.372 | 26% | 0.256 | S | S | . | . | trans | -96.3 | 147 | 177.7 | -59.7 | -179.9 | 0 | 0 | 0 | 111.7 | P713 S756 E757 L758 | P713-L754 HydrophobicContact CB-CD1 3.82Å; P713-L754 HydrophobicContact CB-CG 3.91Å; L754-S756 PolarHBondContact O-N 3.34Å; L754-E757 HydrophobicContact CB-CG 4.23Å; L754-E757 PolarHBondContact N-OE2 3.46Å; L754-E757 WeakPolarHBondContact O-CB 3.43Å; L754-E757 PolarHBondContact O-N 2.9Å; L754-L758 WeakPolarHBondContact O-CG 3.35Å; L754-L758 PolarHBondContact O-N 3.48Å; L754-L758 VanDerWaalsContact O-N 3.1Å | ||
| 755 | D | 95.6 | Very high | 95.9 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.4 | -37.7 | 175.9 | -71.2 | -32.1 | 0 | 0 | 0 | 112.4 | R749 E757 L758 E759 | R749-D755 IonicContact CZ-OD1 2.76Å; R749-D755 IonicContact NH1-OD1 2.75Å; R749-D755 IonicContact NH2-OD1 2.68Å; R749-D755 PolarHBondContact NH2-OD1 3.09Å; D755-E757 VanDerWaalsContact C-N 3.32Å; D755-E757 PolarHBondContact O-N 2.87Å; D755-L758 PolarHBondContact O-N 2.92Å; D755-E759 WeakPolarHBondContact O-CG 3.28Å; D755-E759 PolarHBondContact O-N 3.31Å |
| 756 | S | 94.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 176.1 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | L754 V760 | L754-S756 PolarHBondContact O-N 3.34Å; S756-V760 WeakPolarHBondContact O-CG2 3.15Å; S756-V760 PolarHBondContact O-N 3.04Å |
| 757 | E | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -41.5 | 175.6 | -68.2 | -177.5 | 143.4 | 0 | 0 | 110.6 | I693 K697 G714 S718 L719 I722 L754 D755 V760 V761 | I693-E757 HydrophobicContact CD1-CB 3.99Å; K697-E757 IonicContact NZ-OE1 2.68Å; K697-E757 PolarHBondContact NZ-OE1 2.86Å; K697-E757 IonicContact NZ-OE2 3.47Å; G714-E757 PolarHBondContact N-OE1 3.14Å; G714-E757 VanDerWaalsContact N-OE1 3.11Å; S718-E757 PolarHBondContact OG-OE1 2.98Å; L719-E757 HydrophobicContact CD2-CG 4.06Å; I722-E757 HydrophobicContact CD1-CB 3.67Å; I722-E757 HydrophobicContact CD1-CG 3.54Å; L754-E757 HydrophobicContact CB-CG 4.23Å; L754-E757 PolarHBondContact N-OE2 3.46Å; L754-E757 WeakPolarHBondContact O-CB 3.43Å; L754-E757 PolarHBondContact O-N 2.9Å; D755-E757 VanDerWaalsContact C-N 3.32Å; D755-E757 PolarHBondContact O-N 2.87Å; E757-V760 PolarHBondContact O-N 2.93Å; E757-V761 WeakPolarHBondContact O-CG2 3.33Å; E757-V761 PolarHBondContact O-N 3.12Å |
| 758 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | -179.5 | -61.7 | 170.5 | 0 | 0 | 0 | 112.5 | I693 I747 R749 D753 L754 D755 V760 V761 K762 V775 | I693-L758 HydrophobicContact CD1-CD2 4.08Å; I693-L758 HydrophobicContact CG1-CD2 3.97Å; I747-L758 HydrophobicContact CG2-CD2 3.5Å; R749-L758 VanDerWaalsContact NE-CD1 3.35Å; D753-L758 HydrophobicContact CB-CD2 4.39Å; L754-L758 WeakPolarHBondContact O-CG 3.35Å; L754-L758 PolarHBondContact O-N 3.48Å; L754-L758 VanDerWaalsContact O-N 3.1Å; D755-L758 PolarHBondContact O-N 2.92Å; L758-V760 VanDerWaalsContact C-N 3.33Å; L758-V760 PolarHBondContact O-N 3.22Å; L758-V761 WeakPolarHBondContact O-CB 3.44Å; L758-V761 PolarHBondContact O-N 2.84Å; L758-V761 VanDerWaalsContact O-N 3.16Å; L758-K762 PolarHBondContact O-N 2.85Å; L758-V775 HydrophobicContact CB-CG2 4Å; L758-V775 HydrophobicContact CD1-CG1 4.05Å; L758-V775 HydrophobicContact CD1-CG2 4.17Å; L758-V775 HydrophobicContact CD2-CG2 4.4Å; L758-V775 HydrophobicContact CG-CG2 4.43Å |
| 759 | E | 96.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 178.2 | -71.8 | -53.5 | 127 | 0 | 0 | 112.9 | D755 V761 K762 T763 | D755-E759 WeakPolarHBondContact O-CG 3.28Å; D755-E759 PolarHBondContact O-N 3.31Å; E759-V761 VanDerWaalsContact C-N 3.3Å; E759-V761 PolarHBondContact O-N 2.75Å; E759-K762 PolarHBondContact O-N 2.87Å; E759-K762 WeakPolarHBondContact OE1-CD 3.39Å; E759-K762 WeakPolarHBondContact OE1-CE 3.38Å; E759-K762 IonicContact OE1-NZ 3.53Å; E759-K762 PolarHBondContact OE1-NZ 3.09Å; E759-T763 WeakPolarHBondContact O-CB 3.46Å; E759-T763 PolarHBondContact O-N 2.81Å; E759-T763 PolarHBondContact O-OG1 2.81Å |
| 760 | V | 96.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 172.2 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L719 I722 Q723 S756 E757 L758 K764 | L719-V760 HydrophobicContact CD2-CG2 4.42Å; I722-V760 HydrophobicContact CG2-CG1 4.23Å; Q723-V760 HydrophobicContact CG-CG1 3.9Å; S756-V760 WeakPolarHBondContact O-CG2 3.15Å; S756-V760 PolarHBondContact O-N 3.04Å; E757-V760 PolarHBondContact O-N 2.93Å; L758-V760 VanDerWaalsContact C-N 3.33Å; L758-V760 PolarHBondContact O-N 3.22Å; V760-K764 WeakPolarHBondContact O-CB 3.3Å; V760-K764 VanDerWaalsContact O-CG 3.29Å; V760-K764 WeakPolarHBondContact O-CG 3.42Å; V760-K764 PolarHBondContact O-N 3.29Å |
| 761 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | V691 I693 L696 I722 M729 I747 E757 L758 E759 T763 K764 A765 | V691-V761 HydrophobicContact CG1-CG1 4.05Å; I693-V761 HydrophobicContact CD1-CG2 3.86Å; L696-V761 HydrophobicContact CD1-CB 4.32Å; L696-V761 HydrophobicContact CD1-CG1 3.96Å; L696-V761 HydrophobicContact CD1-CG2 3.32Å; I722-V761 HydrophobicContact CG2-CG2 3.84Å; M729-V761 HydrophobicContact CE-CG1 4.11Å; M729-V761 HydrophobicContact SD-CG1 3.75Å; I747-V761 HydrophobicContact CD1-CB 3.93Å; I747-V761 HydrophobicContact CD1-CG1 3.72Å; I747-V761 HydrophobicContact CG1-CG1 3.89Å; I747-V761 HydrophobicContact CG2-CG1 4.46Å; E757-V761 WeakPolarHBondContact O-CG2 3.33Å; E757-V761 PolarHBondContact O-N 3.12Å; L758-V761 WeakPolarHBondContact O-CB 3.44Å; L758-V761 PolarHBondContact O-N 2.84Å; L758-V761 VanDerWaalsContact O-N 3.16Å; E759-V761 VanDerWaalsContact C-N 3.3Å; E759-V761 PolarHBondContact O-N 2.75Å; V761-T763 PolarHBondContact O-N 3.31Å; V761-K764 PolarHBondContact O-N 3.16Å; V761-A765 WeakPolarHBondContact O-CB 3.15Å; V761-A765 PolarHBondContact O-N 2.85Å |
| 762 | K | 98.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.8 | -52.1 | 175.6 | -71.6 | -174.5 | -172.4 | 165.8 | 0 | 111.5 | I747 L758 E759 K764 A765 I766 A773 V775 | I747-K762 HydrophobicContact CD1-CB 4.42Å; I747-K762 HydrophobicContact CD1-CG 3.49Å; I747-K762 VanDerWaalsContact CD1-CG 3.49Å; L758-K762 PolarHBondContact O-N 2.85Å; E759-K762 PolarHBondContact O-N 2.87Å; E759-K762 WeakPolarHBondContact OE1-CD 3.39Å; E759-K762 WeakPolarHBondContact OE1-CE 3.38Å; E759-K762 IonicContact OE1-NZ 3.53Å; E759-K762 PolarHBondContact OE1-NZ 3.09Å; K762-K764 VanDerWaalsContact C-N 3.32Å; K762-K764 PolarHBondContact O-N 3.47Å; K762-A765 PolarHBondContact O-N 2.82Å; K762-I766 WeakPolarHBondContact O-CG1 3.48Å; K762-I766 PolarHBondContact O-N 2.8Å; K762-A773 HydrophobicContact CB-CB 4.24Å; K762-A773 HydrophobicContact CG-CB 4.19Å; K762-V775 VanDerWaalsContact CE-CG2 3.43Å |
| 763 | T | 98.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.6 | -45.8 | -178.5 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | E759 V761 A767 | E759-T763 WeakPolarHBondContact O-CB 3.46Å; E759-T763 PolarHBondContact O-N 2.81Å; E759-T763 PolarHBondContact O-OG1 2.81Å; V761-T763 PolarHBondContact O-N 3.31Å; T763-A767 WeakPolarHBondContact O-CB 3.13Å; T763-A767 PolarHBondContact O-N 3.26Å; T763-A767 VanDerWaalsContact O-N 3.08Å |
| 764 | K | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 44 Ų | 44 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 179 | -71.2 | -73.2 | -176.6 | 176.3 | 0 | 112.7 | C726 M729 V760 V761 K762 A768 | C726-K764 HydrophobicContact CB-CB 4.06Å; C726-K764 HydrophobicContact CB-CG 4.15Å; M729-K764 HydrophobicContact CE-CB 4.08Å; V760-K764 WeakPolarHBondContact O-CB 3.3Å; V760-K764 VanDerWaalsContact O-CG 3.29Å; V760-K764 WeakPolarHBondContact O-CG 3.42Å; V760-K764 PolarHBondContact O-N 3.29Å; V761-K764 PolarHBondContact O-N 3.16Å; K762-K764 VanDerWaalsContact C-N 3.32Å; K762-K764 PolarHBondContact O-N 3.47Å; K764-A768 WeakPolarHBondContact O-CB 3.44Å; K764-A768 PolarHBondContact O-N 3.13Å; K764-A768 VanDerWaalsContact O-N 3.11Å |
| 765 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | M729 I733 V745 V761 K762 A767 A768 A770 A773 | M729-A765 HydrophobicContact CE-CB 3.84Å; M729-A765 HydrophobicContact SD-CB 4.15Å; I733-A765 HydrophobicContact CD1-CB 4.27Å; V745-A765 HydrophobicContact CB-CB 4.15Å; V745-A765 HydrophobicContact CG1-CB 4.32Å; V745-A765 HydrophobicContact CG2-CB 3.84Å; V761-A765 WeakPolarHBondContact O-CB 3.15Å; V761-A765 PolarHBondContact O-N 2.85Å; K762-A765 PolarHBondContact O-N 2.82Å; A765-A767 PolarHBondContact O-N 3.36Å; A765-A768 VanDerWaalsContact O-CB 3.31Å; A765-A768 WeakPolarHBondContact O-CB 3.22Å; A765-A768 PolarHBondContact O-N 3.07Å; A765-A768 VanDerWaalsContact O-N 3.13Å; A765-A770 HydrophobicContact CB-CB 4.26Å; A765-A770 WeakPolarHBondContact O-CB 3.23Å; A765-A770 PolarHBondContact O-N 2.79Å; A765-A770 VanDerWaalsContact O-N 3.1Å; A765-A773 HydrophobicContact CB-CB 3.73Å |
| 766 | I | 98.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 36.7 Ų | 36.7 | 44% | 0.441 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.2 | -61.3 | -59.3 | 0 | 0 | 0 | 110.7 | K762 A768 G769 A773 | K762-I766 WeakPolarHBondContact O-CG1 3.48Å; K762-I766 PolarHBondContact O-N 2.8Å; I766-A768 PolarHBondContact O-N 2.72Å; I766-A768 VanDerWaalsContact O-N 3.16Å; I766-G769 PolarHBondContact O-N 2.81Å; I766-A773 HydrophobicContact CD1-CB 4.26Å; I766-A773 HydrophobicContact CG1-CB 4.45Å |
| 767 | A | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 35.8 Ų | 35.8 | 71% | 0.711 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.9 | -24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T763 A765 G769 | T763-A767 WeakPolarHBondContact O-CB 3.13Å; T763-A767 PolarHBondContact O-N 3.26Å; T763-A767 VanDerWaalsContact O-N 3.08Å; A765-A767 PolarHBondContact O-N 3.36Å; A767-G769 VanDerWaalsContact C-N 3.26Å; A767-G769 PolarHBondContact O-N 3.31Å |
| 768 | A | 97.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I730 I733 K764 A765 I766 | I730-A768 HydrophobicContact CB-CB 4.31Å; I730-A768 HydrophobicContact CG1-CB 3.79Å; I730-A768 HydrophobicContact CG2-CB 4.15Å; I733-A768 HydrophobicContact CD1-CB 3.8Å; I733-A768 HydrophobicContact CG2-CB 4.26Å; K764-A768 WeakPolarHBondContact O-CB 3.44Å; K764-A768 PolarHBondContact O-N 3.13Å; K764-A768 VanDerWaalsContact O-N 3.11Å; A765-A768 VanDerWaalsContact O-CB 3.31Å; A765-A768 WeakPolarHBondContact O-CB 3.22Å; A765-A768 PolarHBondContact O-N 3.07Å; A765-A768 VanDerWaalsContact O-N 3.13Å; I766-A768 PolarHBondContact O-N 2.72Å; I766-A768 VanDerWaalsContact O-N 3.16Å |
| 769 | G | 96.7 | Very high | 97.6 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 25.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | I766 A767 | I766-G769 PolarHBondContact O-N 2.81Å; A767-G769 VanDerWaalsContact C-N 3.26Å; A767-G769 PolarHBondContact O-N 3.31Å |
| 770 | A | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | trans | -60.6 | 142.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I733 A743 V745 A765 S772 | I733-A770 HydrophobicContact CD1-CB 4.15Å; A743-A770 CarbonylContact O-C 3.54Å; A743-A770 WeakPolarHBondContact O-CA 3.13Å; V745-A770 HydrophobicContact CG2-CB 3.84Å; A765-A770 HydrophobicContact CB-CB 4.26Å; A765-A770 WeakPolarHBondContact O-CB 3.23Å; A765-A770 PolarHBondContact O-N 2.79Å; A765-A770 VanDerWaalsContact O-N 3.1Å; A770-S772 VanDerWaalsContact C-N 3.27Å; A770-S772 PolarHBondContact O-N 3.45Å | ||
| 771 | F | 97.1 | Very high | 97.6 | Very high | 68 Ų | 68 | 37 Ų | 37 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -59.3 | -42.7 | 173.8 | 179.1 | -92 | 0 | 0 | 0 | 111 | A742 A743 V744 T792 K795 A796 E799 | A742-F771 HydrophobicContact CB-CB 4.16Å; A742-F771 HydrophobicContact CB-CD2 4.37Å; A742-F771 HydrophobicContact CB-CG 4.45Å; A743-F771 WeakPolarHBondContact O-CB 3.42Å; A743-F771 PolarHBondContact O-N 3.38Å; V744-F771 HydrophobicContact CG2-CB 4.36Å; V744-F771 HydrophobicContact CG2-CD1 4.06Å; F771-T792 HydrophobicContact CD1-CG2 4.4Å; F771-K795 HydrophobicContact CE1-CB 4.18Å; F771-K795 HydrophobicContact CZ-CB 4.2Å; F771-A796 HydrophobicContact CD1-CB 3.72Å; F771-A796 HydrophobicContact CD2-CB 4.5Å; F771-A796 HydrophobicContact CE1-CB 3.73Å; F771-A796 HydrophobicContact CG-CB 4.12Å; F771-A796 HydrophobicContact CZ-CB 4.15Å; F771-E799 HydrophobicContact CE2-CB 4.2Å; F771-E799 WeakPolarHBondContact CE2-OE2 3.23Å |
| 772 | S | 97.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 37 Ų | 37 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 167 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | V745 A770 | V745-S772 PolarHBondContact N-O 3.08Å; A770-S772 VanDerWaalsContact C-N 3.27Å; A770-S772 PolarHBondContact O-N 3.45Å |
| 773 | A | 98.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 119.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V745 K762 A765 I766 | V745-A773 HydrophobicContact CB-CB 4.01Å; V745-A773 CarbonylContact O-C 3.56Å; V745-A773 WeakPolarHBondContact O-CA 3.46Å; K762-A773 HydrophobicContact CB-CB 4.24Å; K762-A773 HydrophobicContact CG-CB 4.19Å; A765-A773 HydrophobicContact CB-CB 3.73Å; I766-A773 HydrophobicContact CD1-CB 4.26Å; I766-A773 HydrophobicContact CG1-CB 4.45Å |
| 774 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139 | -170.3 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | V745 I747 E788 L789 T792 | V745-V774 PolarHBondContact O-N 3.03Å; I747-V774 PolarHBondContact N-O 2.86Å; V774-E788 HydrophobicContact CG1-CB 3.67Å; V774-E788 HydrophobicContact CG1-CG 3.57Å; V774-E788 HydrophobicContact CG2-CG 4.15Å; V774-L789 HydrophobicContact CG1-CB 4.35Å; V774-T792 HydrophobicContact CG2-CG2 4.12Å; V774-T792 WeakPolarHBondContact CG2-OG1 3.41Å |
| 775 | V | 98.2 | Very high | 97.2 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.2 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 109 | I747 R749 L758 K762 | I747-V775 HydrophobicContact CB-CG2 4.19Å; I747-V775 HydrophobicContact CD1-CG2 4.16Å; I747-V775 WeakPolarHBondContact O-CA 3.35Å; R749-V775 HydrophobicContact CB-CG1 4.02Å; L758-V775 HydrophobicContact CB-CG2 4Å; L758-V775 HydrophobicContact CD1-CG1 4.05Å; L758-V775 HydrophobicContact CD1-CG2 4.17Å; L758-V775 HydrophobicContact CD2-CG2 4.4Å; L758-V775 HydrophobicContact CG-CG2 4.43Å; K762-V775 VanDerWaalsContact CE-CG2 3.43Å |
| 776 | C | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.1 | -178.1 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | I747 R749 G785 | I747-C776 PolarHBondContact O-N 3.19Å; R749-C776 WeakPolarHBondContact CB-O 3.35Å; R749-C776 PolarHBondContact N-O 2.83Å; C776-G785 WeakPolarHBondContact CA-O 3.38Å |
| 777 | D | 96.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -119.9 | 29.1 | 177.3 | -173.2 | 47.5 | 0 | 0 | 0 | 111 | W779 A780 S781 G785 | D777-W779 PolarHBondContact O-N 2.99Å; D777-A780 PolarHBondContact O-N 3.2Å; D777-A780 VanDerWaalsContact O-N 3.14Å; D777-S781 VanDerWaalsContact O-CB 3.31Å; D777-S781 WeakPolarHBondContact O-CB 3.18Å; D777-S781 PolarHBondContact O-N 3.28Å; D777-S781 PolarHBondContact OD2-OG 2.87Å; D777-G785 PolarHBondContact N-O 3.36Å | ||
| 778 | N | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.7 | -21 | -173.3 | 63.7 | -90.8 | 0 | 0 | 0 | 113.3 | T380 S422 A780 G782 A786 | T380-N778 PolarHBondContact O-ND2 3.39Å; S422-N778 VanDerWaalsContact CB-ND2 3.26Å; S422-N778 WeakPolarHBondContact CB-ND2 3.19Å; S422-N778 WeakPolarHBondContact OG-CB 3.06Å; S422-N778 PolarHBondContact OG-ND2 3.43Å; S422-N778 PolarHBondContact OG-O 2.85Å; S422-N778 VanDerWaalsContact OG-O 3.06Å; N778-A780 VanDerWaalsContact C-N 3.33Å; N778-A780 PolarHBondContact O-N 3.12Å; N778-G782 WeakPolarHBondContact CA-O 3.41Å; N778-G782 VanDerWaalsContact CB-O 3.25Å; N778-G782 WeakPolarHBondContact CB-O 3.3Å; N778-G782 VanDerWaalsContact O-CA 3.25Å; N778-G782 WeakPolarHBondContact O-CA 3.31Å; N778-G782 PolarHBondContact O-N 2.91Å; N778-A786 HydrophobicContact CB-CB 3.83Å |
| 779 | W | 95.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 33 Ų | 33 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 169.5 | 179.4 | 83.8 | 0 | 0 | 0 | 111.6 | V308 T380 G420 Y421 D777 | V308-W779 HydrophobicContact CB-CE3 4.49Å; V308-W779 HydrophobicContact CB-CH2 3.41Å; V308-W779 VanDerWaalsContact CB-CH2 3.41Å; V308-W779 HydrophobicContact CB-CZ2 3.95Å; V308-W779 HydrophobicContact CB-CZ3 3.71Å; V308-W779 HydrophobicContact CG1-CE3 4.49Å; V308-W779 HydrophobicContact CG1-CH2 3.72Å; V308-W779 HydrophobicContact CG1-CZ2 3.72Å; V308-W779 HydrophobicContact CG1-CZ3 4.1Å; V308-W779 HydrophobicContact CG2-CE3 4.09Å; V308-W779 HydrophobicContact CG2-CH2 3.77Å; V308-W779 HydrophobicContact CG2-CZ3 3.48Å; V308-W779 VanDerWaalsContact CG2-CZ3 3.48Å; T380-W779 HydrophobicContact CG2-CB 4.06Å; G420-W779 CarbonylContact C-O 3.57Å; G420-W779 WeakPolarHBondContact CA-O 3.19Å; G420-W779 VanDerWaalsContact N-CD1 3.3Å; Y421-W779 WeakPolarHBondContact CD2-O 3.32Å; Y421-W779 PolarHBondContact N-O 3.05Å; D777-W779 PolarHBondContact O-N 2.99Å |
| 780 | A | 96.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -90.9 | -24.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | H304 V308 Y421 D777 N778 | H304-A780 PolarHBondContact CD2-O 2.67Å; V308-A780 HydrophobicContact CG2-CB 4Å; Y421-A780 WeakPolarHBondContact CD2-O 3.4Å; D777-A780 PolarHBondContact O-N 3.2Å; D777-A780 VanDerWaalsContact O-N 3.14Å; N778-A780 VanDerWaalsContact C-N 3.33Å; N778-A780 PolarHBondContact O-N 3.12Å |
| 781 | S | 95.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -122.2 | 5.2 | -168.7 | -62.4 | 0 | 0 | 0 | 0 | 114.9 | D777 K784 G785 | D777-S781 VanDerWaalsContact O-CB 3.31Å; D777-S781 WeakPolarHBondContact O-CB 3.18Å; D777-S781 PolarHBondContact O-N 3.28Å; D777-S781 PolarHBondContact OD2-OG 2.87Å; S781-K784 WeakPolarHBondContact O-CB 3.16Å; S781-K784 PolarHBondContact O-N 3.38Å; S781-G785 PolarHBondContact O-N 3.29Å |
| 782 | G | 95.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | 56.2 | -139.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | N778 K784 G785 | N778-G782 WeakPolarHBondContact CA-O 3.41Å; N778-G782 VanDerWaalsContact CB-O 3.25Å; N778-G782 WeakPolarHBondContact CB-O 3.3Å; N778-G782 VanDerWaalsContact O-CA 3.25Å; N778-G782 WeakPolarHBondContact O-CA 3.31Å; N778-G782 PolarHBondContact O-N 2.91Å; G782-K784 PolarHBondContact O-N 3.23Å; G782-K784 VanDerWaalsContact O-N 3.13Å; G782-G785 PolarHBondContact O-N 3.07Å |
| 783 | A | 96.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -48.3 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q387 A388 V391 E620 G785 A786 S787 | Q387-A783 HydrophobicContact CB-CB 3.82Å; A388-A783 WeakPolarHBondContact CB-O 3.47Å; V391-A783 HydrophobicContact CB-CB 3.85Å; V391-A783 HydrophobicContact CG1-CB 4.12Å; V391-A783 HydrophobicContact CG2-CB 4.22Å; E620-A783 PolarHBondContact OE1-N 2.82Å; A783-G785 VanDerWaalsContact C-N 3.26Å; A783-G785 PolarHBondContact O-N 3.42Å; A783-A786 PolarHBondContact O-N 2.91Å; A783-A786 VanDerWaalsContact O-N 3.15Å; A783-S787 PolarHBondContact O-N 3.1Å; A783-S787 PolarHBondContact O-OG 3.27Å |
| 784 | K | 96.5 | Very high | 97.4 | Very high | 173 Ų | 173 | 34.8 Ų | 34.8 | 75% | 0.752 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -62.8 | -35.4 | -178.1 | -175 | -178.1 | 176.4 | -175 | 0 | 111.8 | S781 G782 A786 S787 | S781-K784 WeakPolarHBondContact O-CB 3.16Å; S781-K784 PolarHBondContact O-N 3.38Å; G782-K784 PolarHBondContact O-N 3.23Å; G782-K784 VanDerWaalsContact O-N 3.13Å; K784-A786 PolarHBondContact O-N 3.31Å; K784-S787 WeakPolarHBondContact CA-OG 3.25Å; K784-S787 PolarHBondContact O-N 2.81Å; K784-S787 PolarHBondContact O-OG 2.66Å |
| 785 | G | 96.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -70.4 | -11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C776 D777 S781 G782 A783 | C776-G785 WeakPolarHBondContact CA-O 3.38Å; D777-G785 PolarHBondContact N-O 3.36Å; S781-G785 PolarHBondContact O-N 3.29Å; G782-G785 PolarHBondContact O-N 3.07Å; A783-G785 VanDerWaalsContact C-N 3.26Å; A783-G785 PolarHBondContact O-N 3.42Å |
| 786 | A | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -119.9 | 8.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G384 A388 N778 A783 K784 E788 L789 A790 | G384-A786 WeakPolarHBondContact O-CB 3.3Å; A388-A786 VanDerWaalsContact CB-C 3.49Å; A388-A786 HydrophobicContact CB-CB 3.77Å; A388-A786 WeakPolarHBondContact CB-O 3.43Å; N778-A786 HydrophobicContact CB-CB 3.83Å; A783-A786 PolarHBondContact O-N 2.91Å; A783-A786 VanDerWaalsContact O-N 3.15Å; K784-A786 PolarHBondContact O-N 3.31Å; A786-E788 VanDerWaalsContact C-N 3.33Å; A786-E788 PolarHBondContact O-N 3.38Å; A786-L789 WeakPolarHBondContact O-CB 3.39Å; A786-L789 PolarHBondContact O-N 3.33Å; A786-L789 VanDerWaalsContact O-N 3.13Å; A786-A790 PolarHBondContact O-N 2.73Å |
| 787 | S | 98.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | -178.2 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | S392 A783 K784 A790 N791 | S392-S787 WeakPolarHBondContact CB-OG 3.5Å; S392-S787 PolarHBondContact OG-OG 3.49Å; A783-S787 PolarHBondContact O-N 3.1Å; A783-S787 PolarHBondContact O-OG 3.27Å; K784-S787 WeakPolarHBondContact CA-OG 3.25Å; K784-S787 PolarHBondContact O-N 2.81Å; K784-S787 PolarHBondContact O-OG 2.66Å; S787-A790 PolarHBondContact O-N 3Å; S787-N791 PolarHBondContact O-N 3.4Å; S787-N791 VanDerWaalsContact O-N 3.09Å; S787-N791 PolarHBondContact O-ND2 3.25Å |
| 788 | E | 98.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 175.7 | -171.1 | -177 | 171.3 | 0 | 0 | 111.4 | V774 A786 N791 T792 | V774-E788 HydrophobicContact CG1-CB 3.67Å; V774-E788 HydrophobicContact CG1-CG 3.57Å; V774-E788 HydrophobicContact CG2-CG 4.15Å; A786-E788 VanDerWaalsContact C-N 3.33Å; A786-E788 PolarHBondContact O-N 3.38Å; E788-N791 PolarHBondContact O-N 3.34Å; E788-T792 WeakPolarHBondContact O-CB 3.23Å; E788-T792 PolarHBondContact O-N 2.92Å; E788-T792 PolarHBondContact O-OG1 2.88Å |
| 789 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 174.5 | 179.4 | 65.7 | 0 | 0 | 0 | 110.5 | V381 L385 V688 V744 A746 V774 A786 N791 T792 V793 | V381-L789 HydrophobicContact CG1-CD2 3.75Å; L385-L789 HydrophobicContact CB-CD2 4.28Å; L385-L789 HydrophobicContact CD1-CD2 4.24Å; L385-L789 HydrophobicContact CD1-CG 4.08Å; L385-L789 HydrophobicContact CD2-CD2 4.42Å; V688-L789 HydrophobicContact CG1-CD1 4.22Å; V688-L789 HydrophobicContact CG1-CD2 4.36Å; V744-L789 HydrophobicContact CG1-CD1 3.78Å; A746-L789 HydrophobicContact CB-CD1 3.95Å; A746-L789 HydrophobicContact CB-CD2 4Å; V774-L789 HydrophobicContact CG1-CB 4.35Å; A786-L789 WeakPolarHBondContact O-CB 3.39Å; A786-L789 PolarHBondContact O-N 3.33Å; A786-L789 VanDerWaalsContact O-N 3.13Å; L789-N791 PolarHBondContact O-N 3.02Å; L789-T792 WeakPolarHBondContact O-CB 3.47Å; L789-T792 PolarHBondContact O-N 2.68Å; L789-T792 VanDerWaalsContact O-N 3.14Å; L789-V793 HydrophobicContact CD1-CG2 4.15Å; L789-V793 HydrophobicContact CG-CG2 4.31Å; L789-V793 WeakPolarHBondContact O-CB 3.33Å; L789-V793 WeakPolarHBondContact O-CG2 3.41Å; L789-V793 PolarHBondContact O-N 2.76Å |
| 790 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L385 A388 L389 L393 A786 S787 T792 V793 K794 | L385-A790 HydrophobicContact CD1-CB 3.92Å; A388-A790 HydrophobicContact CB-CB 3.73Å; L389-A790 HydrophobicContact CD2-CB 4.01Å; L389-A790 HydrophobicContact CG-CB 4.06Å; L393-A790 HydrophobicContact CD1-CB 3.8Å; L393-A790 HydrophobicContact CG-CB 4.22Å; A786-A790 PolarHBondContact O-N 2.73Å; S787-A790 PolarHBondContact O-N 3Å; A790-T792 VanDerWaalsContact C-N 3.29Å; A790-T792 PolarHBondContact O-N 2.97Å; A790-V793 PolarHBondContact O-N 2.91Å; A790-K794 WeakPolarHBondContact O-CB 3.43Å; A790-K794 PolarHBondContact O-N 3.44Å |
| 791 | N | 98.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.6 | -83.6 | -60.7 | 0 | 0 | 0 | 112.1 | L393 S787 E788 L789 K794 K795 | L393-N791 WeakPolarHBondContact CD2-OD1 3.42Å; S787-N791 PolarHBondContact O-N 3.4Å; S787-N791 VanDerWaalsContact O-N 3.09Å; S787-N791 PolarHBondContact O-ND2 3.25Å; E788-N791 PolarHBondContact O-N 3.34Å; L789-N791 PolarHBondContact O-N 3.02Å; N791-K794 PolarHBondContact O-N 2.72Å; N791-K795 WeakPolarHBondContact O-CG 3.26Å; N791-K795 PolarHBondContact O-N 3.27Å; N791-K795 VanDerWaalsContact O-N 3.1Å |
| 792 | T | 98.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | -179 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | V744 F771 V774 E788 L789 A790 K795 A796 | V744-T792 HydrophobicContact CG1-CG2 3.63Å; V744-T792 HydrophobicContact CG2-CG2 4.26Å; F771-T792 HydrophobicContact CD1-CG2 4.4Å; V774-T792 HydrophobicContact CG2-CG2 4.12Å; V774-T792 WeakPolarHBondContact CG2-OG1 3.41Å; E788-T792 WeakPolarHBondContact O-CB 3.23Å; E788-T792 PolarHBondContact O-N 2.92Å; E788-T792 PolarHBondContact O-OG1 2.88Å; L789-T792 WeakPolarHBondContact O-CB 3.47Å; L789-T792 PolarHBondContact O-N 2.68Å; L789-T792 VanDerWaalsContact O-N 3.14Å; A790-T792 VanDerWaalsContact C-N 3.29Å; A790-T792 PolarHBondContact O-N 2.97Å; T792-K795 PolarHBondContact O-N 3.25Å; T792-A796 PolarHBondContact O-N 2.59Å |
| 793 | V | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | V364 L385 V688 V744 L789 A790 K795 A796 C797 | V364-V793 HydrophobicContact CB-CG1 4.34Å; V364-V793 HydrophobicContact CG1-CG1 3.83Å; V364-V793 HydrophobicContact CG2-CG1 3.56Å; L385-V793 HydrophobicContact CD1-CB 4.49Å; L385-V793 HydrophobicContact CD1-CG2 4.27Å; L385-V793 HydrophobicContact CD2-CG2 4.1Å; V688-V793 HydrophobicContact CG2-CG2 3.58Å; V744-V793 HydrophobicContact CG1-CG2 4.44Å; L789-V793 HydrophobicContact CD1-CG2 4.15Å; L789-V793 HydrophobicContact CG-CG2 4.31Å; L789-V793 WeakPolarHBondContact O-CB 3.33Å; L789-V793 WeakPolarHBondContact O-CG2 3.41Å; L789-V793 PolarHBondContact O-N 2.76Å; A790-V793 PolarHBondContact O-N 2.91Å; V793-K795 VanDerWaalsContact C-N 3.29Å; V793-K795 PolarHBondContact O-N 3.37Å; V793-A796 PolarHBondContact O-N 3.21Å; V793-C797 PolarHBondContact O-N 3.17Å; V793-C797 PolarHBondContact O-SG 3.45Å; V793-C797 VanDerWaalsContact O-SG 3.33Å |
| 794 | K | 97.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 175 | 177.5 | 171.3 | -176.5 | 177.3 | 0 | 112.1 | L393 F656 A790 N791 A798 | L393-K794 HydrophobicContact CD1-CD 4.25Å; F656-K794 HydrophobicContact CE1-CB 4.44Å; F656-K794 HydrophobicContact CZ-CB 4.11Å; F656-K794 HydrophobicContact CZ-CD 4.47Å; F656-K794 HydrophobicContact CZ-CG 3.94Å; A790-K794 WeakPolarHBondContact O-CB 3.43Å; A790-K794 PolarHBondContact O-N 3.44Å; N791-K794 PolarHBondContact O-N 2.72Å; K794-A798 WeakPolarHBondContact O-CB 3.35Å; K794-A798 PolarHBondContact O-N 2.78Å |
| 795 | K | 97.8 | Very high | 93.3 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 174.9 | -70.2 | 173.7 | -177.6 | 179.5 | 0 | 111.9 | F771 N791 T792 V793 C797 A798 E799 | F771-K795 HydrophobicContact CE1-CB 4.18Å; F771-K795 HydrophobicContact CZ-CB 4.2Å; N791-K795 WeakPolarHBondContact O-CG 3.26Å; N791-K795 PolarHBondContact O-N 3.27Å; N791-K795 VanDerWaalsContact O-N 3.1Å; T792-K795 PolarHBondContact O-N 3.25Å; V793-K795 VanDerWaalsContact C-N 3.29Å; V793-K795 PolarHBondContact O-N 3.37Å; K795-C797 VanDerWaalsContact C-N 3.32Å; K795-C797 PolarHBondContact O-N 3.28Å; K795-A798 WeakPolarHBondContact O-CB 3.36Å; K795-A798 PolarHBondContact O-N 3.05Å; K795-E799 PolarHBondContact O-N 3.3Å |
| 796 | A | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A686 V744 F771 T792 V793 A798 E799 S800 | A686-A796 HydrophobicContact CB-CB 3.98Å; V744-A796 HydrophobicContact CG2-CB 3.72Å; F771-A796 HydrophobicContact CD1-CB 3.72Å; F771-A796 HydrophobicContact CD2-CB 4.5Å; F771-A796 HydrophobicContact CE1-CB 3.73Å; F771-A796 HydrophobicContact CG-CB 4.12Å; F771-A796 HydrophobicContact CZ-CB 4.15Å; T792-A796 PolarHBondContact O-N 2.59Å; V793-A796 PolarHBondContact O-N 3.21Å; A796-A798 VanDerWaalsContact C-N 3.3Å; A796-A798 PolarHBondContact O-N 3.04Å; A796-E799 PolarHBondContact O-N 3.41Å; A796-S800 PolarHBondContact O-N 3.38Å |
| 797 | C | 96.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -25 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 114 | K362 F656 D685 V793 K795 | K362-C797 HydrophobicContact CB-CB 4.26Å; K362-C797 HydrophobicContact CD-CB 4.22Å; K362-C797 HydrophobicContact CG-CB 4.14Å; K362-C797 PolarHBondContact NZ-O 3.46Å; K362-C797 VanDerWaalsContact NZ-O 3.09Å; F656-C797 HydrophobicContact CE1-CB 4.21Å; D685-C797 HydrophobicContact CB-CB 4.09Å; V793-C797 PolarHBondContact O-N 3.17Å; V793-C797 PolarHBondContact O-SG 3.45Å; V793-C797 VanDerWaalsContact O-SG 3.33Å; K795-C797 VanDerWaalsContact C-N 3.32Å; K795-C797 PolarHBondContact O-N 3.28Å |
| 798 | A | 94.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 55 Ų | 55 | 66% | 0.661 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -80 | -34.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K794 K795 A796 | K794-A798 WeakPolarHBondContact O-CB 3.35Å; K794-A798 PolarHBondContact O-N 2.78Å; K795-A798 WeakPolarHBondContact O-CB 3.36Å; K795-A798 PolarHBondContact O-N 3.05Å; A796-A798 VanDerWaalsContact C-N 3.3Å; A796-A798 PolarHBondContact O-N 3.04Å |
| 799 | E | 93.2 | Very high | 93 | Very high | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -88.8 | -3.1 | 177.4 | -66.6 | -180 | -145 | 0 | 0 | 113.3 | F771 K795 A796 S801 | F771-E799 HydrophobicContact CE2-CB 4.2Å; F771-E799 WeakPolarHBondContact CE2-OE2 3.23Å; K795-E799 PolarHBondContact O-N 3.3Å; A796-E799 PolarHBondContact O-N 3.41Å; E799-S801 PolarHBondContact O-N 3.28Å; E799-S801 VanDerWaalsContact O-N 3.13Å |
| 800 | S | 84.4 | Confident | 92.6 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | trans | -58.9 | 117.1 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | D685 A796 | D685-S800 WeakPolarHBondContact O-CB 3.39Å; D685-S800 PolarHBondContact O-OG 3.19Å; A796-S800 PolarHBondContact O-N 3.38Å | ||
| 801 | S | 73.1 | Confident | 92.3 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | trans | -86.8 | 144.8 | 164.5 | 60.1 | 0 | 0 | 0 | 0 | 107.8 | E799 G803 | E799-S801 PolarHBondContact O-N 3.28Å; E799-S801 VanDerWaalsContact O-N 3.13Å; S801-G803 PolarHBondContact O-N 2.76Å | ||
| 802 | S | 66 | Low | 92.1 | Very high | 124 Ų | 124 | 57.3 Ų | 57.3 | 87% | 0.867 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -66.5 | 22.1 | -175.6 | 63 | 0 | 0 | 0 | 0 | 115 | F804 | S802-F804 PolarHBondContact O-N 2.68Š|
| 803 | G | 85.4 | Confident | 91.9 | Very high | 42 Ų | 42 | 58.9 Ų | 58.9 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | trans | -71.2 | 19.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S801 C805 | S801-G803 PolarHBondContact O-N 2.76Å; G803-C805 PolarHBondContact O-N 3.04Å | ||
| 804 | F | 94.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 21% | 0.211 | 36% | 0.363 | C | S | . | . | trans | -59 | 127.8 | 173.7 | 175.1 | -104.8 | 0 | 0 | 0 | 110.3 | A673 C677 A683 F739 I741 S802 F806 | A673-F804 HydrophobicContact CB-CE2 4.24Å; A673-F804 HydrophobicContact CB-CZ 4.33Å; C677-F804 HydrophobicContact CB-CE1 4.34Å; C677-F804 HydrophobicContact CB-CZ 3.99Å; A683-F804 HydrophobicContact CB-CB 3.9Å; A683-F804 HydrophobicContact CB-CD1 3.51Å; A683-F804 HydrophobicContact CB-CD2 4.08Å; A683-F804 HydrophobicContact CB-CE1 4.01Å; A683-F804 HydrophobicContact CB-CG 3.54Å; A683-F804 HydrophobicContact CB-CZ 4.48Å; F739-F804 HydrophobicContact CB-CD2 4.42Å; F739-F804 HydrophobicContact CB-CE2 4.28Å; F739-F804 HydrophobicContact CD1-CE2 4.26Å; F739-F804 VanDerWaalsContact O-CA 3.3Å; F739-F804 WeakPolarHBondContact O-CA 3.42Å; I741-F804 HydrophobicContact CD1-CD2 3.54Å; I741-F804 HydrophobicContact CD1-CE2 3.84Å; I741-F804 HydrophobicContact CG1-CD2 3.93Å; S802-F804 PolarHBondContact O-N 2.68Å; F804-F806 AromaticContact CE1-CD1 3.95Å; F804-F806 HydrophobicContact CE1-CD1 3.95Å; F804-F806 AromaticContact CE1-CE1 3.54Å; F804-F806 HydrophobicContact CE1-CE1 3.54Å; F804-F806 HydrophobicContact CE1-CE2 4.43Å; F804-F806 AromaticContact CE1-CZ 3.81Å; F804-F806 HydrophobicContact CE1-CZ 3.81Å; F804-F806 AromaticContact CZ-CD1 3.9Å; F804-F806 HydrophobicContact CZ-CD1 3.9Å; F804-F806 AromaticContact CZ-CE1 3.73Å; F804-F806 HydrophobicContact CZ-CE1 3.73Å; F804-F806 HydrophobicContact CZ-CZ 4.45Å | ||
| 805 | C | 95.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | trans | -134.6 | 151 | 173.6 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | K738 F739 G803 | K738-C805 PolarHBondContact O-SG 3.46Å; K738-C805 VanDerWaalsContact O-SG 3.36Å; F739-C805 WeakPolarHBondContact CA-O 3.37Å; F739-C805 WeakPolarHBondContact CD1-O 3.4Å; F739-C805 PolarHBondContact O-N 3.31Å; F739-C805 VanDerWaalsContact O-N 3.07Å; G803-C805 PolarHBondContact O-N 3.04Å | ||
| 806 | F | 97 | Very high | 91.6 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | trans | -79.3 | 154 | 170.8 | -59.8 | -67.6 | 0 | 0 | 0 | 110.6 | A673 C677 R678 F804 Y808 | A673-F806 WeakPolarHBondContact O-CD1 3.41Å; A673-F806 WeakPolarHBondContact O-CE1 3.38Å; C677-F806 HydrophobicContact CB-CE1 4.08Å; R678-F806 HydrophobicContact CB-CE1 4.36Å; R678-F806 HydrophobicContact CB-CZ 4.4Å; R678-F806 HydrophobicContact CG-CD1 3.82Å; R678-F806 HydrophobicContact CG-CE1 3.33Å; R678-F806 HydrophobicContact CG-CE2 4.19Å; R678-F806 HydrophobicContact CG-CG 4.43Å; R678-F806 HydrophobicContact CG-CZ 3.55Å; F804-F806 AromaticContact CE1-CD1 3.95Å; F804-F806 HydrophobicContact CE1-CD1 3.95Å; F804-F806 AromaticContact CE1-CE1 3.54Å; F804-F806 HydrophobicContact CE1-CE1 3.54Å; F804-F806 HydrophobicContact CE1-CE2 4.43Å; F804-F806 AromaticContact CE1-CZ 3.81Å; F804-F806 HydrophobicContact CE1-CZ 3.81Å; F804-F806 AromaticContact CZ-CD1 3.9Å; F804-F806 HydrophobicContact CZ-CD1 3.9Å; F804-F806 AromaticContact CZ-CE1 3.73Å; F804-F806 HydrophobicContact CZ-CE1 3.73Å; F804-F806 HydrophobicContact CZ-CZ 4.45Å; F806-Y808 VanDerWaalsContact C-N 3.28Å; F806-Y808 PolarHBondContact O-N 3.45Å | ||
| 807 | L | 97.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -65 | -34.4 | -179.6 | -176.8 | 65.3 | 0 | 0 | 0 | 112.6 | D674 K738 F739 T820 I821 E824 I825 | D674-L807 PolarHBondContact OD1-N 3.26Å; D674-L807 WeakPolarHBondContact OD2-CB 3.3Å; K738-L807 HydrophobicContact CD-CD1 4.43Å; F739-L807 HydrophobicContact CE1-CB 3.9Å; F739-L807 HydrophobicContact CZ-CB 3.72Å; L807-T820 HydrophobicContact CD1-CG2 4.3Å; L807-T820 HydrophobicContact CD2-CG2 4.26Å; L807-T820 HydrophobicContact CG-CG2 3.85Å; L807-I821 HydrophobicContact CD2-CB 4.47Å; L807-I821 HydrophobicContact CD2-CG1 3.88Å; L807-E824 HydrophobicContact CD1-CB 4.3Å; L807-I825 HydrophobicContact CD1-CD1 4.13Å; L807-I825 HydrophobicContact CD1-CG1 4.38Å; L807-I825 HydrophobicContact CD2-CD1 4.01Å; L807-I825 HydrophobicContact CD2-CG1 3.48Å; L807-I825 VanDerWaalsContact CD2-CG1 3.48Å |
| 808 | Y | 96.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -136.2 | 161.1 | 178.9 | 51 | -97.3 | 0 | 0 | 0 | 111.2 | D674 R678 F806 E812 K817 I821 V854 | D674-Y808 HydrophobicContact CB-CE1 4.04Å; R678-Y808 PolarHBondContact NH2-O 3Å; F806-Y808 VanDerWaalsContact C-N 3.28Å; F806-Y808 PolarHBondContact O-N 3.45Å; Y808-E812 WeakPolarHBondContact CB-OE2 3.38Å; Y808-K817 HydrophobicContact CD1-CB 4.43Å; Y808-K817 HydrophobicContact CD2-CB 4.23Å; Y808-K817 HydrophobicContact CD2-CD 3.87Å; Y808-K817 HydrophobicContact CD2-CG 3.55Å; Y808-K817 HydrophobicContact CE1-CB 4.48Å; Y808-K817 HydrophobicContact CE2-CB 4.25Å; Y808-K817 HydrophobicContact CE2-CD 3.69Å; Y808-K817 HydrophobicContact CE2-CG 3.79Å; Y808-K817 HydrophobicContact CG-CB 4.3Å; Y808-K817 HydrophobicContact CG-CG 3.95Å; Y808-I821 HydrophobicContact CD1-CG1 4.29Å; Y808-I821 HydrophobicContact CE1-CD1 3.78Å; Y808-I821 HydrophobicContact CE1-CG1 3.89Å; Y808-V854 PolarHBondContact OH-N 2.92Å |
| 809 | S | 94.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | trans | -80.4 | 151.8 | 174 | 70.3 | 0 | 0 | 0 | 0 | 111.9 | S811 E812 | S809-S811 PolarHBondContact O-N 3.25Å; S809-S811 PolarHBondContact OG-OG 3.47Å; S809-E812 WeakPolarHBondContact CB-OE1 3.47Å; S809-E812 PolarHBondContact N-OE1 2.96Å; S809-E812 PolarHBondContact O-N 3.4Å; S809-E812 VanDerWaalsContact OG-CG 3.26Å; S809-E812 WeakPolarHBondContact OG-CG 3.46Å; S809-E812 PolarHBondContact OG-OE1 2.88Å | ||
| 810 | G | 90.1 | Very high | 92 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K817 | G810-K817 PolarHBondContact O-NZ 3.39Š|
| 811 | S | 92.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.4 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | S809 K851 | S809-S811 PolarHBondContact O-N 3.25Å; S809-S811 PolarHBondContact OG-OG 3.47Å; S811-K851 PolarHBondContact O-NZ 3.04Å |
| 812 | E | 93.8 | Very high | 93.7 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -58.8 | 156.7 | 178.8 | -87.5 | 161.9 | -123.3 | 0 | 0 | 113.1 | Y808 S809 T816 K817 K851 | Y808-E812 WeakPolarHBondContact CB-OE2 3.38Å; S809-E812 WeakPolarHBondContact CB-OE1 3.47Å; S809-E812 PolarHBondContact N-OE1 2.96Å; S809-E812 PolarHBondContact O-N 3.4Å; S809-E812 VanDerWaalsContact OG-CG 3.26Å; S809-E812 WeakPolarHBondContact OG-CG 3.46Å; S809-E812 PolarHBondContact OG-OE1 2.88Å; E812-T816 HydrophobicContact CB-CG2 4.38Å; E812-T816 HydrophobicContact CG-CG2 4.07Å; E812-T816 WeakPolarHBondContact OE2-CG2 3.32Å; E812-K817 HydrophobicContact CB-CG 4.15Å; E812-K817 WeakPolarHBondContact O-CE 3.44Å; E812-K851 PolarHBondContact O-NZ 2.87Å |
| 813 | S | 94.4 | Very high | 95.2 | Very high | 47 Ų | 47 | 42 Ų | 42 | 33% | 0.329 | 25% | 0.247 | S | C | . | . | trans | -69.8 | 150 | 175.6 | 85.4 | 0 | 0 | 0 | 0 | 110.5 | R815 T816 K817 | S813-R815 PolarHBondContact O-N 2.98Å; S813-T816 WeakPolarHBondContact O-CB 3.35Å; S813-T816 PolarHBondContact O-N 3.43Å; S813-T816 PolarHBondContact OG-N 3.22Å; S813-T816 VanDerWaalsContact OG-N 3.08Å; S813-T816 PolarHBondContact OG-OG1 2.77Å; S813-K817 WeakPolarHBondContact O-CG 3.33Å; S813-K817 PolarHBondContact O-N 3.1Å | ||
| 814 | L | 95 | Very high | 95.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -51.3 | -40.4 | 173.7 | 177.3 | 52.2 | 0 | 0 | 0 | 112.7 | K817 I818 M841 F844 V854 I883 L892 | L814-K817 PolarHBondContact O-N 3.2Å; L814-I818 HydrophobicContact CD1-CD1 3.98Å; L814-I818 HydrophobicContact CD1-CG1 4.36Å; L814-I818 HydrophobicContact CG-CD1 4.22Å; L814-I818 WeakPolarHBondContact O-CG1 3.26Å; L814-I818 PolarHBondContact O-N 3.31Å; L814-I818 VanDerWaalsContact O-N 3.12Å; L814-M841 HydrophobicContact CB-CE 3.92Å; L814-M841 HydrophobicContact CD2-CB 4.35Å; L814-M841 HydrophobicContact CD2-CE 3.95Å; L814-M841 HydrophobicContact CD2-CG 3.76Å; L814-M841 HydrophobicContact CG-CE 3.7Å; L814-M841 HydrophobicContact CG-CG 4.46Å; L814-F844 HydrophobicContact CD2-CD2 4.03Å; L814-V854 HydrophobicContact CD1-CG2 3.34Å; L814-I883 HydrophobicContact CD1-CD1 4.09Å; L814-I883 HydrophobicContact CD2-CD1 3.8Å; L814-I883 HydrophobicContact CG-CD1 4.24Å; L814-L892 HydrophobicContact CD1-CD1 3.73Å; L814-L892 HydrophobicContact CD2-CD1 3.51Å; L814-L892 HydrophobicContact CG-CD1 4.21Å |
| 815 | R | 95.4 | Very high | 95.8 | Very high | 139 Ų | 139 | 41.6 Ų | 41.6 | 53% | 0.525 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.1 | -48 | 176.7 | -177.7 | 172.5 | -176.8 | 163.1 | 5.5 | 111.6 | S813 K817 I818 E819 Y833 M841 | S813-R815 PolarHBondContact O-N 2.98Å; R815-K817 VanDerWaalsContact C-N 3.35Å; R815-K817 PolarHBondContact O-N 2.94Å; R815-I818 PolarHBondContact O-N 3.12Å; R815-E819 HydrophobicContact CG-CG 4.46Å; R815-E819 VanDerWaalsContact CG-OE1 3.24Å; R815-E819 WeakPolarHBondContact CG-OE1 3.33Å; R815-E819 IonicContact CZ-OE1 3.63Å; R815-E819 IonicContact NE-OE1 2.79Å; R815-E819 PolarHBondContact NE-OE1 3.44Å; R815-E819 IonicContact NH2-OE1 3.41Å; R815-E819 WeakPolarHBondContact O-CB 3.35Å; R815-E819 WeakPolarHBondContact O-CG 3.49Å; R815-E819 PolarHBondContact O-N 2.93Å; R815-Y833 HydrophobicContact CG-CE2 4.32Å; R815-Y833 PolarHBondContact O-OH 2.99Å; R815-M841 HydrophobicContact CB-CE 3.83Å |
| 816 | T | 96.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -46.3 | 177.8 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | E812 S813 I818 E819 T820 | E812-T816 HydrophobicContact CB-CG2 4.38Å; E812-T816 HydrophobicContact CG-CG2 4.07Å; E812-T816 WeakPolarHBondContact OE2-CG2 3.32Å; S813-T816 WeakPolarHBondContact O-CB 3.35Å; S813-T816 PolarHBondContact O-N 3.43Å; S813-T816 PolarHBondContact OG-N 3.22Å; S813-T816 VanDerWaalsContact OG-N 3.08Å; S813-T816 PolarHBondContact OG-OG1 2.77Å; T816-I818 PolarHBondContact O-N 3.39Å; T816-E819 PolarHBondContact O-N 3.43Å; T816-T820 WeakPolarHBondContact O-CB 3.4Å; T816-T820 PolarHBondContact O-N 2.82Å; T816-T820 PolarHBondContact O-OG1 3.35Å |
| 817 | K | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 178.6 | -63.7 | 172.6 | -179.8 | 165.9 | 0 | 112.2 | Y808 G810 E812 S813 L814 R815 T820 I821 K851 L852 V854 | Y808-K817 HydrophobicContact CD1-CB 4.43Å; Y808-K817 HydrophobicContact CD2-CB 4.23Å; Y808-K817 HydrophobicContact CD2-CD 3.87Å; Y808-K817 HydrophobicContact CD2-CG 3.55Å; Y808-K817 HydrophobicContact CE1-CB 4.48Å; Y808-K817 HydrophobicContact CE2-CB 4.25Å; Y808-K817 HydrophobicContact CE2-CD 3.69Å; Y808-K817 HydrophobicContact CE2-CG 3.79Å; Y808-K817 HydrophobicContact CG-CB 4.3Å; Y808-K817 HydrophobicContact CG-CG 3.95Å; G810-K817 PolarHBondContact O-NZ 3.39Å; E812-K817 HydrophobicContact CB-CG 4.15Å; E812-K817 WeakPolarHBondContact O-CE 3.44Å; S813-K817 WeakPolarHBondContact O-CG 3.33Å; S813-K817 PolarHBondContact O-N 3.1Å; L814-K817 PolarHBondContact O-N 3.2Å; R815-K817 VanDerWaalsContact C-N 3.35Å; R815-K817 PolarHBondContact O-N 2.94Å; K817-T820 PolarHBondContact O-N 3.26Å; K817-I821 VanDerWaalsContact O-CG1 3.3Å; K817-I821 WeakPolarHBondContact O-CG1 3.21Å; K817-I821 PolarHBondContact O-N 3.47Å; K817-K851 PolarHBondContact NZ-O 3.18Å; K817-L852 PolarHBondContact NZ-O 2.76Å; K817-V854 HydrophobicContact CB-CG2 3.93Å; K817-V854 HydrophobicContact CD-CG2 4.1Å |
| 818 | I | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.7 | -68.5 | 168.4 | 0 | 0 | 0 | 110.6 | L814 R815 T816 I821 A822 V831 Y833 V854 M856 I880 I883 A894 | L814-I818 HydrophobicContact CD1-CD1 3.98Å; L814-I818 HydrophobicContact CD1-CG1 4.36Å; L814-I818 HydrophobicContact CG-CD1 4.22Å; L814-I818 WeakPolarHBondContact O-CG1 3.26Å; L814-I818 PolarHBondContact O-N 3.31Å; L814-I818 VanDerWaalsContact O-N 3.12Å; R815-I818 PolarHBondContact O-N 3.12Å; T816-I818 PolarHBondContact O-N 3.39Å; I818-I821 PolarHBondContact O-N 3.04Å; I818-A822 VanDerWaalsContact O-CB 3.24Å; I818-A822 WeakPolarHBondContact O-CB 3.45Å; I818-A822 PolarHBondContact O-N 2.76Å; I818-V831 HydrophobicContact CG2-CG1 3.92Å; I818-V831 HydrophobicContact CG2-CG2 4.46Å; I818-Y833 HydrophobicContact CD1-CE1 4.04Å; I818-Y833 HydrophobicContact CG2-CE1 4.16Å; I818-V854 HydrophobicContact CG1-CG1 3.96Å; I818-V854 HydrophobicContact CG1-CG2 4.41Å; I818-M856 HydrophobicContact CG1-SD 4.24Å; I818-M856 HydrophobicContact CG2-CE 4.11Å; I818-M856 HydrophobicContact CG2-SD 4.34Å; I818-I880 HydrophobicContact CG2-CD1 4.11Å; I818-I880 HydrophobicContact CG2-CG1 4.08Å; I818-I883 HydrophobicContact CD1-CD1 4.31Å; I818-A894 HydrophobicContact CD1-CB 4.43Å |
| 819 | E | 97.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 179.2 | -74.1 | 167 | 179.9 | 0 | 0 | 111.8 | R815 T816 A822 T823 V831 | R815-E819 HydrophobicContact CG-CG 4.46Å; R815-E819 VanDerWaalsContact CG-OE1 3.24Å; R815-E819 WeakPolarHBondContact CG-OE1 3.33Å; R815-E819 IonicContact CZ-OE1 3.63Å; R815-E819 IonicContact NE-OE1 2.79Å; R815-E819 PolarHBondContact NE-OE1 3.44Å; R815-E819 IonicContact NH2-OE1 3.41Å; R815-E819 WeakPolarHBondContact O-CB 3.35Å; R815-E819 WeakPolarHBondContact O-CG 3.49Å; R815-E819 PolarHBondContact O-N 2.93Å; T816-E819 PolarHBondContact O-N 3.43Å; E819-A822 PolarHBondContact O-N 3.2Å; E819-T823 WeakPolarHBondContact O-CB 3.36Å; E819-T823 VanDerWaalsContact O-CG2 3.32Å; E819-T823 WeakPolarHBondContact O-CG2 3.14Å; E819-T823 PolarHBondContact O-N 3.11Å; E819-T823 PolarHBondContact O-OG1 3.26Å; E819-V831 HydrophobicContact CG-CB 4.33Å; E819-V831 HydrophobicContact CG-CG2 4.03Å |
| 820 | T | 97.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L807 T816 K817 A822 T823 E824 | L807-T820 HydrophobicContact CD1-CG2 4.3Å; L807-T820 HydrophobicContact CD2-CG2 4.26Å; L807-T820 HydrophobicContact CG-CG2 3.85Å; T816-T820 WeakPolarHBondContact O-CB 3.4Å; T816-T820 PolarHBondContact O-N 2.82Å; T816-T820 PolarHBondContact O-OG1 3.35Å; K817-T820 PolarHBondContact O-N 3.26Å; T820-A822 PolarHBondContact O-N 3.44Å; T820-T823 PolarHBondContact O-OG1 3.08Å; T820-E824 HydrophobicContact CG2-CG 4.23Å; T820-E824 WeakPolarHBondContact O-CB 3.34Å; T820-E824 PolarHBondContact O-N 3.33Å |
| 821 | I | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -62.3 | -46.1 | 177.3 | -59.9 | 161.8 | 0 | 0 | 0 | 110.3 | E670 L807 Y808 K817 I818 T823 I825 Y826 V854 M856 | E670-I821 HydrophobicContact CG-CG2 4.48Å; L807-I821 HydrophobicContact CD2-CB 4.47Å; L807-I821 HydrophobicContact CD2-CG1 3.88Å; Y808-I821 HydrophobicContact CD1-CG1 4.29Å; Y808-I821 HydrophobicContact CE1-CD1 3.78Å; Y808-I821 HydrophobicContact CE1-CG1 3.89Å; K817-I821 VanDerWaalsContact O-CG1 3.3Å; K817-I821 WeakPolarHBondContact O-CG1 3.21Å; K817-I821 PolarHBondContact O-N 3.47Å; I818-I821 PolarHBondContact O-N 3.04Å; I821-T823 PolarHBondContact O-N 3.08Å; I821-I825 HydrophobicContact CG2-CB 4.24Å; I821-I825 HydrophobicContact CG2-CG1 4.45Å; I821-I825 WeakPolarHBondContact O-CA 3.37Å; I821-I825 VanDerWaalsContact O-CB 3.27Å; I821-I825 WeakPolarHBondContact O-CB 3.14Å; I821-I825 PolarHBondContact O-N 3.45Å; I821-Y826 HydrophobicContact CG2-CD2 4.25Å; I821-Y826 HydrophobicContact CG2-CE2 3.66Å; I821-Y826 PolarHBondContact O-N 2.56Å; I821-Y826 VanDerWaalsContact O-N 3.13Å; I821-V854 HydrophobicContact CD1-CB 4.35Å; I821-M856 HydrophobicContact CB-CG 4.27Å; I821-M856 HydrophobicContact CD1-CG 3.75Å; I821-M856 HydrophobicContact CD1-SD 4.49Å; I821-M856 HydrophobicContact CG2-CG 3.8Å |
| 822 | A | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -60.1 | -46.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I818 E819 T820 Y826 G827 A828 V831 L878 | I818-A822 VanDerWaalsContact O-CB 3.24Å; I818-A822 WeakPolarHBondContact O-CB 3.45Å; I818-A822 PolarHBondContact O-N 2.76Å; E819-A822 PolarHBondContact O-N 3.2Å; T820-A822 PolarHBondContact O-N 3.44Å; A822-Y826 CarbonylContact O-C 3.47Å; A822-Y826 WeakPolarHBondContact O-CA 3.46Å; A822-Y826 WeakPolarHBondContact O-CB 3.47Å; A822-Y826 PolarHBondContact O-N 2.99Å; A822-G827 PolarHBondContact O-N 3.21Å; A822-A828 HydrophobicContact CB-CB 4.19Å; A822-A828 WeakPolarHBondContact O-CB 3.27Å; A822-A828 PolarHBondContact O-N 3.4Å; A822-V831 HydrophobicContact CB-CG2 3.38Å; A822-L878 HydrophobicContact CB-CB 4.49Å; A822-L878 HydrophobicContact CB-CD2 3.56Å |
| 823 | T | 96.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -80.3 | -46.5 | -175.8 | 55.5 | 0 | 0 | 0 | 0 | 112 | E819 T820 I821 G827 A828 | E819-T823 WeakPolarHBondContact O-CB 3.36Å; E819-T823 VanDerWaalsContact O-CG2 3.32Å; E819-T823 WeakPolarHBondContact O-CG2 3.14Å; E819-T823 PolarHBondContact O-N 3.11Å; E819-T823 PolarHBondContact O-OG1 3.26Å; T820-T823 PolarHBondContact O-OG1 3.08Å; I821-T823 PolarHBondContact O-N 3.08Å; T823-G827 WeakPolarHBondContact O-CA 3.21Å; T823-G827 PolarHBondContact O-N 3.1Å; T823-A828 WeakPolarHBondContact CA-O 3.47Å |
| 824 | E | 96.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -85.2 | -29.5 | -172.3 | -62.7 | -156.4 | -156.9 | 0 | 0 | 114.3 | K738 L807 T820 | K738-E824 HydrophobicContact CD-CB 4.42Å; K738-E824 VanDerWaalsContact CE-O 3.23Å; K738-E824 WeakPolarHBondContact CE-O 3.45Å; K738-E824 IonicContact NZ-OE2 3.58Å; K738-E824 PolarHBondContact NZ-OE2 3.43Å; L807-E824 HydrophobicContact CD1-CB 4.3Å; T820-E824 HydrophobicContact CG2-CG 4.23Å; T820-E824 WeakPolarHBondContact O-CB 3.34Å; T820-E824 PolarHBondContact O-N 3.33Å |
| 825 | I | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -104.5 | -43.6 | -177.8 | -56.1 | -62.5 | 0 | 0 | 0 | 111.3 | D666 E670 H731 C735 K738 F739 L807 I821 | D666-I825 HydrophobicContact CB-CG2 3.87Å; D666-I825 VanDerWaalsContact O-CG2 3.23Å; D666-I825 WeakPolarHBondContact O-CG2 3.43Å; E670-I825 HydrophobicContact CG-CG1 4.38Å; H731-I825 PolarHBondContact CE1-O 3.35Å; H731-I825 PolarHBondContact NE2-O 3.23Å; C735-I825 HydrophobicContact CB-CD1 4.35Å; K738-I825 HydrophobicContact CD-CD1 4.03Å; F739-I825 HydrophobicContact CE2-CD1 4.3Å; L807-I825 HydrophobicContact CD1-CD1 4.13Å; L807-I825 HydrophobicContact CD1-CG1 4.38Å; L807-I825 HydrophobicContact CD2-CD1 4.01Å; L807-I825 HydrophobicContact CD2-CG1 3.48Å; L807-I825 VanDerWaalsContact CD2-CG1 3.48Å; I821-I825 HydrophobicContact CG2-CB 4.24Å; I821-I825 HydrophobicContact CG2-CG1 4.45Å; I821-I825 WeakPolarHBondContact O-CA 3.37Å; I821-I825 VanDerWaalsContact O-CB 3.27Å; I821-I825 WeakPolarHBondContact O-CB 3.14Å; I821-I825 PolarHBondContact O-N 3.45Å |
| 826 | Y | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -90.5 | -16.8 | -179.8 | -53.1 | -37.4 | 0 | 0 | 0 | 113.6 | D666 I667 I821 A822 A828 M856 K858 I863 Y876 L878 | D666-Y826 HydrophobicContact CB-CD1 4.3Å; D666-Y826 HydrophobicContact CB-CE1 4.16Å; D666-Y826 VanDerWaalsContact O-CE1 3.23Å; D666-Y826 WeakPolarHBondContact O-CE1 3.34Å; I667-Y826 HydrophobicContact CG1-CE1 4.43Å; I821-Y826 HydrophobicContact CG2-CD2 4.25Å; I821-Y826 HydrophobicContact CG2-CE2 3.66Å; I821-Y826 PolarHBondContact O-N 2.56Å; I821-Y826 VanDerWaalsContact O-N 3.13Å; A822-Y826 CarbonylContact O-C 3.47Å; A822-Y826 WeakPolarHBondContact O-CA 3.46Å; A822-Y826 WeakPolarHBondContact O-CB 3.47Å; A822-Y826 PolarHBondContact O-N 2.99Å; Y826-A828 PolarHBondContact O-N 2.92Å; Y826-M856 HydrophobicContact CE2-CB 3.97Å; Y826-M856 HydrophobicContact CE2-CE 4.17Å; Y826-M856 HydrophobicContact CE2-CG 4.16Å; Y826-M856 VanDerWaalsContact OH-CB 3.22Å; Y826-M856 WeakPolarHBondContact OH-CB 3.48Å; Y826-K858 HydrophobicContact CD1-CD 4.26Å; Y826-K858 HydrophobicContact CD2-CD 4.44Å; Y826-K858 HydrophobicContact CE1-CD 3.95Å; Y826-K858 HydrophobicContact CE2-CD 4.12Å; Y826-I863 WeakPolarHBondContact CD1-O 3.35Å; Y826-I863 VanDerWaalsContact O-CG2 3.31Å; Y826-I863 WeakPolarHBondContact O-CG2 3.3Å; Y826-Y876 VanDerWaalsContact C-OH 3.29Å; Y826-Y876 WeakPolarHBondContact CB-OH 3.3Å; Y826-Y876 PolarHBondContact O-OH 3.06Å; Y826-L878 HydrophobicContact CD2-CD2 3.97Å; Y826-L878 HydrophobicContact CE2-CD2 4.47Å |
| 827 | G | 95.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | trans | 68.8 | 22.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A822 T823 | A822-G827 PolarHBondContact O-N 3.21Å; T823-G827 WeakPolarHBondContact O-CA 3.21Å; T823-G827 PolarHBondContact O-N 3.1Å | ||
| 828 | A | 96.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | trans | -68 | 145.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A822 T823 Y826 Y876 L878 | A822-A828 HydrophobicContact CB-CB 4.19Å; A822-A828 WeakPolarHBondContact O-CB 3.27Å; A822-A828 PolarHBondContact O-N 3.4Å; T823-A828 WeakPolarHBondContact CA-O 3.47Å; Y826-A828 PolarHBondContact O-N 2.92Å; A828-Y876 HydrophobicContact CB-CD2 4.08Å; A828-Y876 HydrophobicContact CB-CE2 3.52Å; A828-L878 HydrophobicContact CB-CB 3.98Å | ||
| 829 | E | 96.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 54.4 Ų | 54.4 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -80.9 | -39.1 | 177.4 | -172.7 | 175.1 | 178.1 | 0 | 0 | 111.3 | Y876 | E829-Y876 PolarHBondContact N-O 2.58Š|
| 830 | T | 96.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 163.7 | -177.8 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | T877 L878 | T830-T877 CarbonylContact O-C 3.59Å; T830-T877 WeakPolarHBondContact O-CA 3.25Å; T830-T877 WeakPolarHBondContact OG1-CG2 3.41Å; T830-T877 PolarHBondContact OG1-OG1 3.44Å; T830-L878 PolarHBondContact O-N 3.35Å |
| 831 | V | 97.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.7 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | I818 E819 A822 Y833 L878 I880 | I818-V831 HydrophobicContact CG2-CG1 3.92Å; I818-V831 HydrophobicContact CG2-CG2 4.46Å; E819-V831 HydrophobicContact CG-CB 4.33Å; E819-V831 HydrophobicContact CG-CG2 4.03Å; A822-V831 HydrophobicContact CB-CG2 3.38Å; V831-Y833 HydrophobicContact CB-CE2 4.03Å; V831-Y833 HydrophobicContact CG1-CD1 4.49Å; V831-Y833 HydrophobicContact CG1-CD2 4.33Å; V831-Y833 HydrophobicContact CG1-CE1 3.94Å; V831-Y833 HydrophobicContact CG1-CE2 3.73Å; V831-L878 WeakPolarHBondContact CA-O 3.13Å; V831-L878 WeakPolarHBondContact CG1-O 3.46Å; V831-I880 HydrophobicContact CG1-CD1 4.23Å; V831-I880 HydrophobicContact CG1-CG1 3.56Å |
| 832 | E | 96.7 | Very high | 95.5 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.4 | 174.1 | -177.8 | -179.3 | -172.7 | 0 | 0 | 109.7 | T877 L878 I880 | E832-T877 HydrophobicContact CB-CG2 3.67Å; E832-L878 PolarHBondContact N-O 3.18Å; E832-I880 PolarHBondContact O-N 3.19Å |
| 833 | Y | 96.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.3 | -178.2 | -61.6 | -86.7 | 0 | 0 | 0 | 110.3 | R815 I818 V831 V837 M841 I880 | R815-Y833 HydrophobicContact CG-CE2 4.32Å; R815-Y833 PolarHBondContact O-OH 2.99Å; I818-Y833 HydrophobicContact CD1-CE1 4.04Å; I818-Y833 HydrophobicContact CG2-CE1 4.16Å; V831-Y833 HydrophobicContact CB-CE2 4.03Å; V831-Y833 HydrophobicContact CG1-CD1 4.49Å; V831-Y833 HydrophobicContact CG1-CD2 4.33Å; V831-Y833 HydrophobicContact CG1-CE1 3.94Å; V831-Y833 HydrophobicContact CG1-CE2 3.73Å; Y833-V837 HydrophobicContact CD1-CG1 3.75Å; Y833-M841 HydrophobicContact CD1-SD 4.23Å; Y833-M841 HydrophobicContact CE1-SD 4.28Å; Y833-I880 HydrophobicContact CD1-CB 4.05Å; Y833-I880 HydrophobicContact CD1-CG1 4.13Å; Y833-I880 HydrophobicContact CE1-CB 4.42Å; Y833-I880 HydrophobicContact CE1-CG1 4.04Å |
| 834 | S | 95.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | trans | -64.5 | 156.7 | 170.8 | 79.7 | 0 | 0 | 0 | 0 | 111.5 | D836 V837 V838 I880 R881 | S834-D836 PolarHBondContact O-N 3.2Å; S834-V837 WeakPolarHBondContact O-CB 3.43Å; S834-V837 PolarHBondContact O-N 3.14Å; S834-V837 VanDerWaalsContact O-N 3.12Å; S834-V837 VanDerWaalsContact OG-CG2 3.25Å; S834-V837 WeakPolarHBondContact OG-CG2 3.36Å; S834-V837 PolarHBondContact OG-N 3.5Å; S834-V838 PolarHBondContact O-N 3.44Å; S834-V838 VanDerWaalsContact O-N 3.08Å; S834-I880 PolarHBondContact N-O 2.97Å; S834-I880 VanDerWaalsContact N-O 3.1Å; S834-R881 PolarHBondContact OG-O 3.32Å | ||
| 835 | L | 95.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 59.9 Ų | 59.9 | 72% | 0.723 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.9 | -36.6 | 176.9 | -70.2 | 175.1 | 0 | 0 | 0 | 112.2 | V838 K839 | L835-V838 PolarHBondContact O-N 3.42Å; L835-K839 WeakPolarHBondContact O-CG 3.4Å; L835-K839 PolarHBondContact O-N 3Å |
| 836 | D | 92.4 | Very high | 94.5 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71.7 | -32.6 | 179.8 | -64 | -32.1 | 0 | 0 | 0 | 112 | S834 K839 A840 | S834-D836 PolarHBondContact O-N 3.2Å; D836-K839 PolarHBondContact O-N 2.96Å; D836-K839 IonicContact OD1-NZ 3.16Å; D836-K839 PolarHBondContact OD1-NZ 3.2Å; D836-A840 WeakPolarHBondContact O-CB 3.37Å; D836-A840 PolarHBondContact O-N 3.17Å |
| 837 | V | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 170.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | Y833 S834 K839 A840 M841 I880 R881 I883 | Y833-V837 HydrophobicContact CD1-CG1 3.75Å; S834-V837 WeakPolarHBondContact O-CB 3.43Å; S834-V837 PolarHBondContact O-N 3.14Å; S834-V837 VanDerWaalsContact O-N 3.12Å; S834-V837 VanDerWaalsContact OG-CG2 3.25Å; S834-V837 WeakPolarHBondContact OG-CG2 3.36Å; S834-V837 PolarHBondContact OG-N 3.5Å; V837-K839 VanDerWaalsContact C-N 3.3Å; V837-K839 PolarHBondContact O-N 3.46Å; V837-A840 PolarHBondContact O-N 3.16Å; V837-M841 HydrophobicContact CG1-CG 4.19Å; V837-M841 HydrophobicContact CG1-SD 3.92Å; V837-M841 WeakPolarHBondContact O-CB 3.47Å; V837-M841 VanDerWaalsContact O-CG 3.23Å; V837-M841 WeakPolarHBondContact O-CG 3.24Å; V837-M841 PolarHBondContact O-N 3.43Å; V837-I880 HydrophobicContact CG1-CG2 4.05Å; V837-I880 HydrophobicContact CG2-CG2 4.01Å; V837-R881 WeakPolarHBondContact CG2-O 3.47Å; V837-I883 HydrophobicContact CB-CG2 4.31Å; V837-I883 HydrophobicContact CG1-CB 4.35Å; V837-I883 HydrophobicContact CG1-CG2 3.92Å; V837-I883 HydrophobicContact CG2-CB 4.4Å; V837-I883 HydrophobicContact CG2-CG2 4.22Å |
| 838 | V | 95.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 72.3 Ų | 72.3 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | S834 L835 T842 | S834-V838 PolarHBondContact O-N 3.44Å; S834-V838 VanDerWaalsContact O-N 3.08Å; L835-V838 PolarHBondContact O-N 3.42Å; V838-T842 PolarHBondContact O-N 3.43Å; V838-T842 VanDerWaalsContact O-N 3.1Å; V838-T842 PolarHBondContact O-OG1 2.87Å |
| 839 | K | 93.6 | Very high | 93.5 | Very high | 132 Ų | 132 | 73.8 Ų | 73.8 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 174.6 | -68.7 | 171.6 | -162.3 | 158 | 0 | 111.5 | L835 D836 V837 T842 C843 | L835-K839 WeakPolarHBondContact O-CG 3.4Å; L835-K839 PolarHBondContact O-N 3Å; D836-K839 PolarHBondContact O-N 2.96Å; D836-K839 IonicContact OD1-NZ 3.16Å; D836-K839 PolarHBondContact OD1-NZ 3.2Å; V837-K839 VanDerWaalsContact C-N 3.3Å; V837-K839 PolarHBondContact O-N 3.46Å; K839-T842 WeakPolarHBondContact O-CB 3.44Å; K839-T842 PolarHBondContact O-N 3.03Å; K839-C843 PolarHBondContact O-N 2.77Å |
| 840 | A | 92.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D836 V837 T842 C843 F844 I883 | D836-A840 WeakPolarHBondContact O-CB 3.37Å; D836-A840 PolarHBondContact O-N 3.17Å; V837-A840 PolarHBondContact O-N 3.16Å; A840-T842 VanDerWaalsContact C-N 3.29Å; A840-T842 PolarHBondContact O-N 3.22Å; A840-C843 CarbonylContact O-C 3.55Å; A840-C843 WeakPolarHBondContact O-CA 3.46Å; A840-C843 VanDerWaalsContact O-CB 3.3Å; A840-C843 WeakPolarHBondContact O-CB 3.4Å; A840-C843 PolarHBondContact O-N 3.22Å; A840-F844 HydrophobicContact CB-CE2 4.3Å; A840-F844 HydrophobicContact CB-CZ 4.21Å; A840-F844 WeakPolarHBondContact O-CD1 3.4Å; A840-F844 WeakPolarHBondContact O-CD2 3.35Å; A840-F844 VanDerWaalsContact O-CG 3.23Å; A840-F844 WeakPolarHBondContact O-CG 2.94Å; A840-F844 PolarHBondContact O-N 3.2Å; A840-I883 HydrophobicContact CB-CG2 3.51Å |
| 841 | M | 94.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 16% | 0.163 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 175.1 | -68.1 | 179.9 | 72.4 | 0 | 0 | 112.1 | L814 R815 Y833 V837 C843 F844 K845 | L814-M841 HydrophobicContact CB-CE 3.92Å; L814-M841 HydrophobicContact CD2-CB 4.35Å; L814-M841 HydrophobicContact CD2-CE 3.95Å; L814-M841 HydrophobicContact CD2-CG 3.76Å; L814-M841 HydrophobicContact CG-CE 3.7Å; L814-M841 HydrophobicContact CG-CG 4.46Å; R815-M841 HydrophobicContact CB-CE 3.83Å; Y833-M841 HydrophobicContact CD1-SD 4.23Å; Y833-M841 HydrophobicContact CE1-SD 4.28Å; V837-M841 HydrophobicContact CG1-CG 4.19Å; V837-M841 HydrophobicContact CG1-SD 3.92Å; V837-M841 WeakPolarHBondContact O-CB 3.47Å; V837-M841 VanDerWaalsContact O-CG 3.23Å; V837-M841 WeakPolarHBondContact O-CG 3.24Å; V837-M841 PolarHBondContact O-N 3.43Å; M841-C843 VanDerWaalsContact C-N 3.34Å; M841-F844 PolarHBondContact O-N 2.91Å; M841-K845 PolarHBondContact O-N 3.28Å |
| 842 | T | 93.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 70.6 Ų | 70.6 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | V838 K839 A840 K845 K846 | V838-T842 PolarHBondContact O-N 3.43Å; V838-T842 VanDerWaalsContact O-N 3.1Å; V838-T842 PolarHBondContact O-OG1 2.87Å; K839-T842 WeakPolarHBondContact O-CB 3.44Å; K839-T842 PolarHBondContact O-N 3.03Å; A840-T842 VanDerWaalsContact C-N 3.29Å; A840-T842 PolarHBondContact O-N 3.22Å; T842-K845 PolarHBondContact O-N 2.84Å; T842-K846 WeakPolarHBondContact O-CG 3.3Å; T842-K846 PolarHBondContact O-N 2.89Å; T842-K846 VanDerWaalsContact O-N 3.17Å |
| 843 | C | 89.9 | Confident | 93.1 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | K839 A840 M841 K845 K846 L847 | K839-C843 PolarHBondContact O-N 2.77Å; A840-C843 CarbonylContact O-C 3.55Å; A840-C843 WeakPolarHBondContact O-CA 3.46Å; A840-C843 VanDerWaalsContact O-CB 3.3Å; A840-C843 WeakPolarHBondContact O-CB 3.4Å; A840-C843 PolarHBondContact O-N 3.22Å; M841-C843 VanDerWaalsContact C-N 3.34Å; C843-K845 VanDerWaalsContact C-N 3.27Å; C843-K845 PolarHBondContact O-N 3.38Å; C843-K846 WeakPolarHBondContact O-CA 3.19Å; C843-K846 WeakPolarHBondContact O-CB 3.34Å; C843-K846 PolarHBondContact O-N 3.19Å; C843-L847 WeakPolarHBondContact O-CG 3.48Å; C843-L847 PolarHBondContact O-N 3.31Å |
| 844 | F | 93.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 179.2 | -61.1 | -21.5 | 0 | 0 | 0 | 112.9 | L814 A840 M841 L847 G848 I849 D850 I883 A885 L892 | L814-F844 HydrophobicContact CD2-CD2 4.03Å; A840-F844 HydrophobicContact CB-CE2 4.3Å; A840-F844 HydrophobicContact CB-CZ 4.21Å; A840-F844 WeakPolarHBondContact O-CD1 3.4Å; A840-F844 WeakPolarHBondContact O-CD2 3.35Å; A840-F844 VanDerWaalsContact O-CG 3.23Å; A840-F844 WeakPolarHBondContact O-CG 2.94Å; A840-F844 PolarHBondContact O-N 3.2Å; M841-F844 PolarHBondContact O-N 2.91Å; F844-L847 CarbonylContact O-C 3.4Å; F844-L847 PolarHBondContact O-N 3.36Å; F844-G848 PolarHBondContact O-N 3.06Å; F844-I849 HydrophobicContact CB-CG1 3.86Å; F844-I849 HydrophobicContact CD1-CD1 3.83Å; F844-I849 HydrophobicContact CD1-CG1 4.13Å; F844-I849 HydrophobicContact CE1-CD1 4.45Å; F844-I849 HydrophobicContact CG-CD1 4.35Å; F844-I849 HydrophobicContact CG-CG1 4.2Å; F844-I849 PolarHBondContact O-N 3.44Å; F844-D850 HydrophobicContact CB-CB 4.38Å; F844-D850 PolarHBondContact O-N 3.39Å; F844-I883 HydrophobicContact CE2-CB 4.43Å; F844-I883 HydrophobicContact CE2-CD1 4.14Å; F844-I883 HydrophobicContact CE2-CG1 4Å; F844-I883 HydrophobicContact CE2-CG2 3.8Å; F844-I883 HydrophobicContact CZ-CG2 4.4Å; F844-A885 HydrophobicContact CD1-CB 4.42Å; F844-A885 HydrophobicContact CE1-CB 3.8Å; F844-A885 HydrophobicContact CZ-CB 4.05Å; F844-L892 HydrophobicContact CD2-CD1 3.87Å; F844-L892 HydrophobicContact CD2-CD2 4.06Å; F844-L892 HydrophobicContact CE2-CD1 4.37Å; F844-L892 HydrophobicContact CE2-CD2 4.08Å; F844-L892 HydrophobicContact CG-CD2 4.41Å; F844-L892 HydrophobicContact CZ-CD2 4.46Å |
| 845 | K | 92.1 | Very high | 93.1 | Very high | 153 Ų | 153 | 62 Ų | 62 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 174.1 | -170.4 | 174.6 | -177.2 | 178.7 | 0 | 112.3 | M841 T842 C843 L847 G848 D850 | M841-K845 PolarHBondContact O-N 3.28Å; T842-K845 PolarHBondContact O-N 2.84Å; C843-K845 VanDerWaalsContact C-N 3.27Å; C843-K845 PolarHBondContact O-N 3.38Å; K845-L847 VanDerWaalsContact C-N 3.3Å; K845-L847 PolarHBondContact O-N 3.06Å; K845-G848 PolarHBondContact O-N 3.35Å; K845-D850 HydrophobicContact CB-CB 4.4Å |
| 846 | K | 90.1 | Very high | 93.1 | Very high | 177 Ų | 177 | 55.4 Ų | 55.4 | 77% | 0.77 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -35.8 | 174.2 | -71 | 176.1 | 178.4 | -179 | 0 | 112.1 | T842 C843 G848 | T842-K846 WeakPolarHBondContact O-CG 3.3Å; T842-K846 PolarHBondContact O-N 2.89Å; T842-K846 VanDerWaalsContact O-N 3.17Å; C843-K846 WeakPolarHBondContact O-CA 3.19Å; C843-K846 WeakPolarHBondContact O-CB 3.34Å; C843-K846 PolarHBondContact O-N 3.19Å; K846-G848 VanDerWaalsContact C-N 3.29Å |
| 847 | L | 87 | Confident | 93.1 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.4 | 177 | -64.2 | 174.7 | 0 | 0 | 0 | 113.5 | F585 P591 C843 F844 K845 I849 | F585-L847 HydrophobicContact CE1-CD1 3.98Å; F585-L847 HydrophobicContact CZ-CD1 4.19Å; P591-L847 HydrophobicContact CG-CD2 4.04Å; C843-L847 WeakPolarHBondContact O-CG 3.48Å; C843-L847 PolarHBondContact O-N 3.31Å; F844-L847 CarbonylContact O-C 3.4Å; F844-L847 PolarHBondContact O-N 3.36Å; K845-L847 VanDerWaalsContact C-N 3.3Å; K845-L847 PolarHBondContact O-N 3.06Å; L847-I849 VanDerWaalsContact C-N 3.3Å; L847-I849 HydrophobicContact CB-CD1 4.39Å; L847-I849 HydrophobicContact CB-CG1 4.11Å; L847-I849 HydrophobicContact CD1-CD1 4.24Å; L847-I849 PolarHBondContact O-N 3.08Å |
| 848 | G | 89.2 | Confident | 93 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F844 K845 K846 | F844-G848 PolarHBondContact O-N 3.06Å; K845-G848 PolarHBondContact O-N 3.35Å; K846-G848 VanDerWaalsContact C-N 3.29Å |
| 849 | I | 90.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | trans | -106.9 | 4.3 | -178.9 | 67.1 | 175.7 | 0 | 0 | 0 | 113.4 | F844 L847 K851 L852 A885 L892 | F844-I849 HydrophobicContact CB-CG1 3.86Å; F844-I849 HydrophobicContact CD1-CD1 3.83Å; F844-I849 HydrophobicContact CD1-CG1 4.13Å; F844-I849 HydrophobicContact CE1-CD1 4.45Å; F844-I849 HydrophobicContact CG-CD1 4.35Å; F844-I849 HydrophobicContact CG-CG1 4.2Å; F844-I849 PolarHBondContact O-N 3.44Å; L847-I849 VanDerWaalsContact C-N 3.3Å; L847-I849 HydrophobicContact CB-CD1 4.39Å; L847-I849 HydrophobicContact CB-CG1 4.11Å; L847-I849 HydrophobicContact CD1-CD1 4.24Å; L847-I849 PolarHBondContact O-N 3.08Å; I849-K851 PolarHBondContact O-N 3.01Å; I849-K851 VanDerWaalsContact O-N 3.13Å; I849-L852 HydrophobicContact CB-CD1 4Å; I849-L852 HydrophobicContact CB-CG 4.38Å; I849-L852 WeakPolarHBondContact O-CG 3.47Å; I849-L852 PolarHBondContact O-N 3.27Å; I849-A885 HydrophobicContact CD1-CB 3.77Å; I849-L892 HydrophobicContact CD1-CD2 4.44Å | ||
| 850 | D | 93 | Very high | 92.7 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12 | 177.3 | 71.1 | -61.2 | 0 | 0 | 0 | 113.7 | F844 K845 | F844-D850 HydrophobicContact CB-CB 4.38Å; F844-D850 PolarHBondContact O-N 3.39Å; K845-D850 HydrophobicContact CB-CB 4.4Å |
| 851 | K | 94 | Very high | 92.8 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.7 | 178.5 | -57.2 | -54.4 | 180 | -179.6 | 0 | 114.4 | S811 E812 K817 I849 | S811-K851 PolarHBondContact O-NZ 3.04Å; E812-K851 PolarHBondContact O-NZ 2.87Å; K817-K851 PolarHBondContact NZ-O 3.18Å; I849-K851 PolarHBondContact O-N 3.01Å; I849-K851 VanDerWaalsContact O-N 3.13Å |
| 852 | L | 95.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -61.3 | 155.8 | 173.2 | -64.6 | 177.5 | 0 | 0 | 0 | 111.4 | K817 I849 L892 | K817-L852 PolarHBondContact NZ-O 2.76Å; I849-L852 HydrophobicContact CB-CD1 4Å; I849-L852 HydrophobicContact CB-CG 4.38Å; I849-L852 WeakPolarHBondContact O-CG 3.47Å; I849-L852 PolarHBondContact O-N 3.27Å; L852-L892 HydrophobicContact CB-CG 4.16Å; L852-L892 HydrophobicContact CD1-CD2 4.28Å |
| 853 | P | 96.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | trans | -57.1 | 160.1 | 167.9 | -25.1 | 35.3 | 0 | 0 | 0 | 112.5 | I675 G890 F891 L892 | I675-P853 HydrophobicContact CG1-CB 4.04Å; P853-G890 WeakPolarHBondContact CD-O 3.5Å; P853-F891 HydrophobicContact CB-CB 4.32Å; P853-F891 CarbonylContact O-C 3.58Å; P853-F891 WeakPolarHBondContact O-CA 3.31Å; P853-F891 WeakPolarHBondContact O-CB 3.38Å; P853-L892 PolarHBondContact O-N 3.42Å | ||
| 854 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.9 | -179.7 | -174 | 0 | 0 | 0 | 0 | 110.3 | Y808 L814 K817 I818 I821 M856 L892 A894 | Y808-V854 PolarHBondContact OH-N 2.92Å; L814-V854 HydrophobicContact CD1-CG2 3.34Å; K817-V854 HydrophobicContact CB-CG2 3.93Å; K817-V854 HydrophobicContact CD-CG2 4.1Å; I818-V854 HydrophobicContact CG1-CG1 3.96Å; I818-V854 HydrophobicContact CG1-CG2 4.41Å; I821-V854 HydrophobicContact CD1-CB 4.35Å; V854-M856 HydrophobicContact CG1-CG 4.43Å; V854-M856 HydrophobicContact CG1-SD 3.82Å; V854-L892 CarbonylContact C-O 3.6Å; V854-L892 WeakPolarHBondContact CA-O 3.39Å; V854-A894 HydrophobicContact CG1-CB 4.05Å |
| 855 | C | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 108.8 | 170.8 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | K671 I675 F891 L892 A894 | K671-C855 WeakPolarHBondContact CE-SG 3.35Å; I675-C855 HydrophobicContact CD1-CB 3.63Å; C855-F891 HydrophobicContact CB-CD2 3.43Å; C855-F891 VanDerWaalsContact CB-CD2 3.43Å; C855-F891 HydrophobicContact CB-CE2 3.56Å; C855-F891 HydrophobicContact CB-CG 4.37Å; C855-L892 PolarHBondContact N-O 2.86Å; C855-A894 PolarHBondContact O-N 3.37Å |
| 856 | M | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.4 | 179.5 | -64.7 | -60.9 | -72.4 | 0 | 0 | 111.7 | K671 I818 I821 Y826 V854 L878 I880 A894 | K671-M856 WeakPolarHBondContact CE-O 3.44Å; K671-M856 PolarHBondContact NZ-O 3.41Å; I818-M856 HydrophobicContact CG1-SD 4.24Å; I818-M856 HydrophobicContact CG2-CE 4.11Å; I818-M856 HydrophobicContact CG2-SD 4.34Å; I821-M856 HydrophobicContact CB-CG 4.27Å; I821-M856 HydrophobicContact CD1-CG 3.75Å; I821-M856 HydrophobicContact CD1-SD 4.49Å; I821-M856 HydrophobicContact CG2-CG 3.8Å; Y826-M856 HydrophobicContact CE2-CB 3.97Å; Y826-M856 HydrophobicContact CE2-CE 4.17Å; Y826-M856 HydrophobicContact CE2-CG 4.16Å; Y826-M856 VanDerWaalsContact OH-CB 3.22Å; Y826-M856 WeakPolarHBondContact OH-CB 3.48Å; V854-M856 HydrophobicContact CG1-CG 4.43Å; V854-M856 HydrophobicContact CG1-SD 3.82Å; M856-L878 HydrophobicContact CE-CD2 3.72Å; M856-I880 HydrophobicContact CE-CD1 3.71Å; M856-A894 HydrophobicContact SD-CB 3.78Å |
| 857 | A | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N633 Y893 A894 L895 A896 I899 | N633-A857 WeakPolarHBondContact O-CA 3.42Å; N633-A857 WeakPolarHBondContact O-CB 3.18Å; A857-Y893 HydrophobicContact CB-CD2 4.04Å; A857-Y893 HydrophobicContact CB-CE2 3.06Å; A857-Y893 WeakPolarHBondContact CB-OH 3.36Å; A857-A894 WeakPolarHBondContact CB-O 3.24Å; A857-A894 PolarHBondContact N-O 2.91Å; A857-L895 HydrophobicContact CB-CD1 4.17Å; A857-A896 WeakPolarHBondContact O-CA 3.46Å; A857-A896 WeakPolarHBondContact O-CB 3.45Å; A857-A896 PolarHBondContact O-N 3.11Å; A857-I899 HydrophobicContact CB-CD1 3.47Å; A857-I899 VanDerWaalsContact CB-CD1 3.47Å |
| 858 | K | 92.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | trans | -147.3 | 172.7 | 176.9 | 39.3 | 146.8 | -88.2 | 159.1 | 0 | 111 | D666 I667 Y826 S862 I863 S864 A896 | D666-K858 IonicContact OD2-NZ 2.99Å; I667-K858 HydrophobicContact CD1-CD 4.33Å; I667-K858 HydrophobicContact CD1-CG 4.33Å; I667-K858 HydrophobicContact CG1-CD 4.36Å; I667-K858 HydrophobicContact CG1-CG 4.5Å; Y826-K858 HydrophobicContact CD1-CD 4.26Å; Y826-K858 HydrophobicContact CD2-CD 4.44Å; Y826-K858 HydrophobicContact CE1-CD 3.95Å; Y826-K858 HydrophobicContact CE2-CD 4.12Å; K858-S862 PolarHBondContact NZ-O 2.8Å; K858-I863 PolarHBondContact NZ-O 2.95Å; K858-S864 PolarHBondContact NZ-O 3.17Å; K858-A896 HydrophobicContact CB-CB 4.35Å | ||
| 859 | T | 92 | Very high | 93.7 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | trans | -57.6 | 135.8 | 174.1 | -177 | 0 | 0 | 0 | 0 | 111.4 | L861 M865 P867 | T859-L861 PolarHBondContact O-N 3.44Å; T859-L861 PolarHBondContact OG1-N 3.35Å; T859-M865 WeakPolarHBondContact CG2-O 3.48Å; T859-P867 HydrophobicContact CG2-CB 4.24Å | ||
| 860 | P | 91.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 10% | 0.104 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.4 | 172.7 | 31.7 | -35.4 | 0 | 0 | 0 | 113.4 | T370 P371 F663 I667 | T370-P860 WeakPolarHBondContact CG2-O 3.36Å; P371-P860 WeakPolarHBondContact CD-O 3.4Å; F663-P860 HydrophobicContact CB-CB 3.46Å; F663-P860 VanDerWaalsContact CB-CB 3.46Å; F663-P860 HydrophobicContact CD1-CB 4.33Å; F663-P860 HydrophobicContact CD2-CB 3.78Å; F663-P860 HydrophobicContact CD2-CG 4.08Å; F663-P860 HydrophobicContact CE2-CG 4.49Å; F663-P860 HydrophobicContact CG-CB 3.6Å; F663-P860 HydrophobicContact CG-CG 4.23Å; I667-P860 HydrophobicContact CD1-CB 4.37Å |
| 861 | L | 92.7 | Very high | 94 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.199 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.2 | -169.7 | -60 | 177.3 | 0 | 0 | 0 | 114.9 | T370 P373 Q699 T859 P867 | T370-L861 VanDerWaalsContact CG2-O 3.32Å; T370-L861 WeakPolarHBondContact CG2-O 3.49Å; P373-L861 HydrophobicContact CG-CD2 4.38Å; Q699-L861 PolarHBondContact NE2-O 3.46Å; T859-L861 PolarHBondContact O-N 3.44Å; T859-L861 PolarHBondContact OG1-N 3.35Å; L861-P867 HydrophobicContact CB-CB 4.01Å; L861-P867 HydrophobicContact CD1-CB 4.23Å |
| 862 | S | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -141 | 167.1 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | K858 S864 D866 L869 | K858-S862 PolarHBondContact NZ-O 2.8Å; S862-S864 VanDerWaalsContact C-N 3.35Å; S862-S864 PolarHBondContact OG-N 3.39Å; S862-S864 PolarHBondContact OG-OG 3.22Å; S862-D866 WeakPolarHBondContact CB-O 3.23Å; S862-D866 PolarHBondContact OG-O 3.09Å; S862-L869 WeakPolarHBondContact CB-O 3.46Å; S862-L869 PolarHBondContact OG-O 3.16Å |
| 863 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -74.6 | -27.1 | 163 | -67.9 | 167.8 | 0 | 0 | 0 | 110.9 | N728 H731 Y826 K858 G871 V872 | N728-I863 VanDerWaalsContact ND2-CD1 3.26Å; N728-I863 WeakPolarHBondContact ND2-CD1 3.37Å; H731-I863 HydrophobicContact CB-CD1 3.95Å; H731-I863 VanDerWaalsContact CD2-CD1 3.43Å; H731-I863 WeakPolarHBondContact CD2-CD1 3.29Å; Y826-I863 WeakPolarHBondContact CD1-O 3.35Å; Y826-I863 VanDerWaalsContact O-CG2 3.31Å; Y826-I863 WeakPolarHBondContact O-CG2 3.3Å; K858-I863 PolarHBondContact NZ-O 2.95Å; I863-G871 WeakPolarHBondContact CD1-O 3.29Å; I863-V872 HydrophobicContact CD1-CG1 4.49Å; I863-V872 HydrophobicContact CD1-CG2 4.16Å |
| 864 | S | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -90.6 | -174 | 175.7 | 80.4 | 0 | 0 | 0 | 0 | 112.6 | K858 S862 D866 Y876 | K858-S864 PolarHBondContact NZ-O 3.17Å; S862-S864 VanDerWaalsContact C-N 3.35Å; S862-S864 PolarHBondContact OG-N 3.39Å; S862-S864 PolarHBondContact OG-OG 3.22Å; S864-D866 VanDerWaalsContact C-N 3.31Å; S864-D866 PolarHBondContact OG-N 3.09Å; S864-D866 PolarHBondContact OG-O 3.14Å; S864-Y876 VanDerWaalsContact CB-CZ 3.47Å |
| 865 | M | 92.9 | Very high | 93.9 | Very high | 37 Ų | 37 | 37 Ų | 37 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -74.8 | -17 | 173.5 | 76.3 | -56.3 | -70.5 | 0 | 0 | 114.5 | T859 Y876 T877 L878 A896 | T859-M865 WeakPolarHBondContact CG2-O 3.48Å; M865-Y876 HydrophobicContact CE-CD2 3.35Å; M865-Y876 HydrophobicContact CE-CE2 3.43Å; M865-Y876 VanDerWaalsContact CE-CE2 3.43Å; M865-Y876 HydrophobicContact CE-CG 4.49Å; M865-Y876 HydrophobicContact SD-CD2 4.3Å; M865-Y876 HydrophobicContact SD-CE2 4.49Å; M865-T877 WeakPolarHBondContact CE-O 3.4Å; M865-L878 HydrophobicContact CB-CD1 4.18Å; M865-L878 HydrophobicContact CE-CB 4.26Å; M865-L878 HydrophobicContact CE-CD1 3.49Å; M865-L878 VanDerWaalsContact CE-CD1 3.49Å; M865-L878 HydrophobicContact CE-CG 4.42Å; M865-A896 WeakPolarHBondContact CB-O 3.47Å |
| 866 | D | 93.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 38 Ų | 38 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | trans | -101.4 | 115.2 | -174 | -177.5 | -7.5 | 0 | 0 | 0 | 110 | S862 S864 K868 L869 | S862-D866 WeakPolarHBondContact CB-O 3.23Å; S862-D866 PolarHBondContact OG-O 3.09Å; S864-D866 VanDerWaalsContact C-N 3.31Å; S864-D866 PolarHBondContact OG-N 3.09Å; S864-D866 PolarHBondContact OG-O 3.14Å; D866-K868 PolarHBondContact O-N 3.01Å; D866-K868 VanDerWaalsContact OD1-CB 3.3Å; D866-K868 WeakPolarHBondContact OD1-CB 3.34Å; D866-K868 WeakPolarHBondContact OD1-CG 3.49Å; D866-K868 PolarHBondContact OD1-N 3.11Å; D866-L869 HydrophobicContact CB-CB 4.41Å; D866-L869 HydrophobicContact CB-CD1 3.93Å; D866-L869 HydrophobicContact CB-CG 3.87Å; D866-L869 PolarHBondContact O-N 3.1Å | ||
| 867 | P | 91.8 | Very high | 94 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.7 | 180 | 27.6 | -35.8 | 0 | 0 | 0 | 113.8 | T859 L861 | T859-P867 HydrophobicContact CG2-CB 4.24Å; L861-P867 HydrophobicContact CB-CB 4.01Å; L861-P867 HydrophobicContact CD1-CB 4.23Å |
| 868 | K | 92.2 | Very high | 94.2 | Very high | 176 Ų | 176 | 41.1 Ų | 41.1 | 77% | 0.765 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -19.9 | 177.7 | -59.7 | 177.2 | -179.3 | 177.6 | 0 | 113.2 | D866 L870 | D866-K868 PolarHBondContact O-N 3.01Å; D866-K868 VanDerWaalsContact OD1-CB 3.3Å; D866-K868 WeakPolarHBondContact OD1-CB 3.34Å; D866-K868 WeakPolarHBondContact OD1-CG 3.49Å; D866-K868 PolarHBondContact OD1-N 3.11Å; K868-L870 PolarHBondContact O-N 3.13Å |
| 869 | L | 93.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | trans | -83.5 | 92.3 | 178.7 | -64.2 | -178.1 | 0 | 0 | 0 | 109.5 | S862 D866 P873 | S862-L869 WeakPolarHBondContact CB-O 3.46Å; S862-L869 PolarHBondContact OG-O 3.16Å; D866-L869 HydrophobicContact CB-CB 4.41Å; D866-L869 HydrophobicContact CB-CD1 3.93Å; D866-L869 HydrophobicContact CB-CG 3.87Å; D866-L869 PolarHBondContact O-N 3.1Å; L869-P873 HydrophobicContact CB-CB 4.05Å; L869-P873 HydrophobicContact CB-CG 3.63Å; L869-P873 HydrophobicContact CD1-CB 4.36Å; L869-P873 WeakPolarHBondContact O-CG 3.3Å | ||
| 870 | L | 94.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | trans | -84.9 | 163.7 | -176.7 | -57.5 | 172.8 | 0 | 0 | 0 | 112.3 | R698 K868 | R698-L870 WeakPolarHBondContact O-CD1 3.27Å; K868-L870 PolarHBondContact O-N 3.13Å | ||
| 871 | G | 95.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 78.9 | -125.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q699 N728 I863 | Q699-G871 VanDerWaalsContact O-CA 3.27Å; Q699-G871 WeakPolarHBondContact O-CA 3.26Å; Q699-G871 PolarHBondContact O-N 3.49Å; N728-G871 PolarHBondContact ND2-O 3.42Å; I863-G871 WeakPolarHBondContact CD1-O 3.29Å |
| 872 | V | 97 | Very high | 94.6 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -122.8 | 86.6 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | N727 H731 I863 | N727-V872 HydrophobicContact CB-CG2 4.14Å; N727-V872 VanDerWaalsContact O-CG2 3.25Å; N727-V872 WeakPolarHBondContact O-CG2 3.33Å; H731-V872 HydrophobicContact CB-CG1 4.47Å; H731-V872 HydrophobicContact CB-CG2 3.91Å; I863-V872 HydrophobicContact CD1-CG1 4.49Å; I863-V872 HydrophobicContact CD1-CG2 4.16Å |
| 873 | P | 95.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | trans | -62.8 | 147.6 | -178.8 | -20.9 | 34.3 | 0 | 0 | 0 | 111.4 | L869 Y876 | L869-P873 HydrophobicContact CB-CB 4.05Å; L869-P873 HydrophobicContact CB-CG 3.63Å; L869-P873 HydrophobicContact CD1-CB 4.36Å; L869-P873 WeakPolarHBondContact O-CG 3.3Å; P873-Y876 HydrophobicContact CB-CD1 3.97Å; P873-Y876 HydrophobicContact CB-CE1 3.85Å; P873-Y876 WeakPolarHBondContact O-CE1 3.39Å | ||
| 874 | T | 94.2 | Very high | 94.3 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 71% | 0.712 | 29% | 0.289 | S | S | * | . | trans | -139.4 | 159.2 | -179.7 | 57 | 0 | 0 | 0 | 0 | 110.9 | Y876 | T874-Y876 VanDerWaalsContact C-N 3.35Å; T874-Y876 PolarHBondContact O-N 2.93Å | ||
| 875 | G | 93.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 71.1 | 26.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 876 | Y | 95.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 55 Ų | 55 | 9% | 0.09 | 30% | 0.298 | C | S | . | . | trans | -113.4 | 154 | -179.8 | 69.2 | -93.8 | 0 | 0 | 0 | 111.2 | Y826 A828 E829 S864 M865 P873 T874 | Y826-Y876 VanDerWaalsContact C-OH 3.29Å; Y826-Y876 WeakPolarHBondContact CB-OH 3.3Å; Y826-Y876 PolarHBondContact O-OH 3.06Å; A828-Y876 HydrophobicContact CB-CD2 4.08Å; A828-Y876 HydrophobicContact CB-CE2 3.52Å; E829-Y876 PolarHBondContact N-O 2.58Å; S864-Y876 VanDerWaalsContact CB-CZ 3.47Å; M865-Y876 HydrophobicContact CE-CD2 3.35Å; M865-Y876 HydrophobicContact CE-CE2 3.43Å; M865-Y876 VanDerWaalsContact CE-CE2 3.43Å; M865-Y876 HydrophobicContact CE-CG 4.49Å; M865-Y876 HydrophobicContact SD-CD2 4.3Å; M865-Y876 HydrophobicContact SD-CE2 4.49Å; P873-Y876 HydrophobicContact CB-CD1 3.97Å; P873-Y876 HydrophobicContact CB-CE1 3.85Å; P873-Y876 WeakPolarHBondContact O-CE1 3.39Å; T874-Y876 VanDerWaalsContact C-N 3.35Å; T874-Y876 PolarHBondContact O-N 2.93Å | ||
| 877 | T | 96.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 110 | T830 E832 M865 P879 | T830-T877 CarbonylContact O-C 3.59Å; T830-T877 WeakPolarHBondContact O-CA 3.25Å; T830-T877 WeakPolarHBondContact OG1-CG2 3.41Å; T830-T877 PolarHBondContact OG1-OG1 3.44Å; E832-T877 HydrophobicContact CB-CG2 3.67Å; M865-T877 WeakPolarHBondContact CE-O 3.4Å; T877-P879 WeakPolarHBondContact O-CD 3.35Å |
| 878 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.4 | 176.5 | -173.5 | 72.3 | 0 | 0 | 0 | 110.3 | A822 Y826 A828 T830 V831 E832 M856 M865 I880 A896 | A822-L878 HydrophobicContact CB-CB 4.49Å; A822-L878 HydrophobicContact CB-CD2 3.56Å; Y826-L878 HydrophobicContact CD2-CD2 3.97Å; Y826-L878 HydrophobicContact CE2-CD2 4.47Å; A828-L878 HydrophobicContact CB-CB 3.98Å; T830-L878 PolarHBondContact O-N 3.35Å; V831-L878 WeakPolarHBondContact CA-O 3.13Å; V831-L878 WeakPolarHBondContact CG1-O 3.46Å; E832-L878 PolarHBondContact N-O 3.18Å; M856-L878 HydrophobicContact CE-CD2 3.72Å; M865-L878 HydrophobicContact CB-CD1 4.18Å; M865-L878 HydrophobicContact CE-CB 4.26Å; M865-L878 HydrophobicContact CE-CD1 3.49Å; M865-L878 VanDerWaalsContact CE-CD1 3.49Å; M865-L878 HydrophobicContact CE-CG 4.42Å; L878-I880 HydrophobicContact CD2-CD1 4.14Å; L878-I880 HydrophobicContact CG-CD1 4.26Å; L878-A896 HydrophobicContact CD1-CB 3.88Å; L878-A896 HydrophobicContact CG-CB 4.21Å |
| 879 | P | 96.4 | Very high | 94.3 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.1 | 179.2 | 32.9 | -29.4 | 0 | 0 | 0 | 110.3 | T877 A896 | T877-P879 WeakPolarHBondContact O-CD 3.35Å; P879-A896 CarbonylContact O-C 3.59Å; P879-A896 WeakPolarHBondContact O-CA 3.31Å |
| 880 | I | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 107.3 | 168.9 | -49.3 | -56.6 | 0 | 0 | 0 | 107.7 | I818 V831 E832 Y833 S834 V837 M856 L878 A894 A896 | I818-I880 HydrophobicContact CG2-CD1 4.11Å; I818-I880 HydrophobicContact CG2-CG1 4.08Å; V831-I880 HydrophobicContact CG1-CD1 4.23Å; V831-I880 HydrophobicContact CG1-CG1 3.56Å; E832-I880 PolarHBondContact O-N 3.19Å; Y833-I880 HydrophobicContact CD1-CB 4.05Å; Y833-I880 HydrophobicContact CD1-CG1 4.13Å; Y833-I880 HydrophobicContact CE1-CB 4.42Å; Y833-I880 HydrophobicContact CE1-CG1 4.04Å; S834-I880 PolarHBondContact N-O 2.97Å; S834-I880 VanDerWaalsContact N-O 3.1Å; V837-I880 HydrophobicContact CG1-CG2 4.05Å; V837-I880 HydrophobicContact CG2-CG2 4.01Å; M856-I880 HydrophobicContact CE-CD1 3.71Å; L878-I880 HydrophobicContact CD2-CD1 4.14Å; L878-I880 HydrophobicContact CG-CD1 4.26Å; I880-A894 HydrophobicContact CG2-CB 4.19Å; I880-A896 HydrophobicContact CD1-CB 4.06Å |
| 881 | R | 93.2 | Very high | 94.4 | Very high | 132 Ų | 132 | 37.9 Ų | 37.9 | 50% | 0.498 | 22% | 0.222 | S | C | . | . | trans | -84.5 | -41.4 | -173.5 | -60.4 | -169.7 | 124.5 | 149.8 | 8 | 112.2 | S834 V837 L895 D898 | S834-R881 PolarHBondContact OG-O 3.32Å; V837-R881 WeakPolarHBondContact CG2-O 3.47Å; R881-L895 PolarHBondContact N-O 2.92Å; R881-D898 IonicContact CZ-OD1 2.73Å; R881-D898 VanDerWaalsContact NH1-CG 3.31Å; R881-D898 IonicContact NH1-OD1 3.53Å; R881-D898 PolarHBondContact NH1-OD1 2.71Å; R881-D898 IonicContact NH1-OD2 3.61Å; R881-D898 PolarHBondContact NH1-OD2 2.79Å | ||
| 882 | E | 92.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.7 | -175.6 | -166.4 | 178.5 | -160.5 | 0 | 0 | 109.8 | K884 L895 | E882-K884 HydrophobicContact CG-CG 4.49Å; E882-K884 WeakPolarHBondContact OE1-CE 3.43Å; E882-K884 IonicContact OE1-NZ 2.77Å; E882-K884 PolarHBondContact OE1-NZ 2.89Å; E882-K884 WeakPolarHBondContact OE2-CE 3.36Å; E882-K884 IonicContact OE2-NZ 3.5Å; E882-K884 PolarHBondContact OE2-NZ 3.09Å; E882-L895 HydrophobicContact CB-CB 4.05Å; E882-L895 HydrophobicContact CB-CD2 4.08Å; E882-L895 PolarHBondContact O-N 2.68Å |
| 883 | I | 93.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.1 | 171 | -164.3 | 175 | 0 | 0 | 0 | 110.2 | L814 I818 V837 A840 F844 L892 Y893 A894 | L814-I883 HydrophobicContact CD1-CD1 4.09Å; L814-I883 HydrophobicContact CD2-CD1 3.8Å; L814-I883 HydrophobicContact CG-CD1 4.24Å; I818-I883 HydrophobicContact CD1-CD1 4.31Å; V837-I883 HydrophobicContact CB-CG2 4.31Å; V837-I883 HydrophobicContact CG1-CB 4.35Å; V837-I883 HydrophobicContact CG1-CG2 3.92Å; V837-I883 HydrophobicContact CG2-CB 4.4Å; V837-I883 HydrophobicContact CG2-CG2 4.22Å; A840-I883 HydrophobicContact CB-CG2 3.51Å; F844-I883 HydrophobicContact CE2-CB 4.43Å; F844-I883 HydrophobicContact CE2-CD1 4.14Å; F844-I883 HydrophobicContact CE2-CG1 4Å; F844-I883 HydrophobicContact CE2-CG2 3.8Å; F844-I883 HydrophobicContact CZ-CG2 4.4Å; I883-L892 HydrophobicContact CD1-CB 4.46Å; I883-Y893 CarbonylContact C-O 3.27Å; I883-Y893 WeakPolarHBondContact CA-O 3.4Å; I883-Y893 VanDerWaalsContact CG1-O 3.3Å; I883-Y893 WeakPolarHBondContact CG1-O 3.49Å; I883-A894 HydrophobicContact CD1-CB 4.4Å; I883-A894 HydrophobicContact CG1-CB 4.26Å |
| 884 | K | 90.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.6 | -179.7 | -61 | -174 | -177.6 | 173.6 | 0 | 110.8 | E882 L892 Y893 | E882-K884 HydrophobicContact CG-CG 4.49Å; E882-K884 WeakPolarHBondContact OE1-CE 3.43Å; E882-K884 IonicContact OE1-NZ 2.77Å; E882-K884 PolarHBondContact OE1-NZ 2.89Å; E882-K884 WeakPolarHBondContact OE2-CE 3.36Å; E882-K884 IonicContact OE2-NZ 3.5Å; E882-K884 PolarHBondContact OE2-NZ 3.09Å; K884-L892 CarbonylContact O-C 3.59Å; K884-L892 WeakPolarHBondContact O-CA 3.37Å; K884-Y893 HydrophobicContact CB-CD1 4.2Å; K884-Y893 HydrophobicContact CG-CD1 4.43Å; K884-Y893 PolarHBondContact N-O 2.87Å; K884-Y893 PolarHBondContact O-N 2.9Å |
| 885 | A | 91.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F844 I849 L892 | F844-A885 HydrophobicContact CD1-CB 4.42Å; F844-A885 HydrophobicContact CE1-CB 3.8Å; F844-A885 HydrophobicContact CZ-CB 4.05Å; I849-A885 HydrophobicContact CD1-CB 3.77Å; A885-L892 HydrophobicContact CB-CD2 3.65Å |
| 886 | Y | 93.4 | Very high | 94 | Very high | 35 Ų | 35 | 27.6 Ų | 27.6 | 14% | 0.137 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 76.1 | 160 | -77.3 | 7.9 | 0 | 0 | 0 | 106.9 | S558 E560 V563 G888 A889 G890 F891 | S558-Y886 PolarHBondContact O-OH 2.83Å; E560-Y886 HydrophobicContact CB-CD1 4.33Å; E560-Y886 HydrophobicContact CB-CD2 4.11Å; E560-Y886 HydrophobicContact CB-CE1 4.43Å; E560-Y886 HydrophobicContact CB-CE2 4.21Å; E560-Y886 HydrophobicContact CB-CG 4.18Å; E560-Y886 HydrophobicContact CG-CD1 4.34Å; E560-Y886 HydrophobicContact CG-CD2 4.02Å; E560-Y886 HydrophobicContact CG-CG 3.87Å; E560-Y886 VanDerWaalsContact OE1-CA 3.22Å; E560-Y886 WeakPolarHBondContact OE1-CA 3.29Å; V563-Y886 HydrophobicContact CG2-CD2 4.37Å; V563-Y886 HydrophobicContact CG2-CE2 4.26Å; Y886-G888 VanDerWaalsContact C-N 3.3Å; Y886-G888 PolarHBondContact O-N 2.6Å; Y886-A889 HydrophobicContact CD2-CB 4.41Å; Y886-A889 CarbonylContact O-C 3.5Å; Y886-A889 PolarHBondContact O-N 3.43Å; Y886-G890 PolarHBondContact O-N 3.06Å; Y886-F891 HydrophobicContact CD2-CE1 4.21Å; Y886-F891 AromaticContact CD2-CE2 3.95Å; Y886-F891 HydrophobicContact CD2-CE2 3.95Å; Y886-F891 AromaticContact CD2-CZ 3.49Å; Y886-F891 HydrophobicContact CD2-CZ 3.49Å; Y886-F891 VanDerWaalsContact CD2-CZ 3.49Å; Y886-F891 HydrophobicContact CE2-CZ 4.27Å; Y886-F891 HydrophobicContact CG-CE2 4.34Å; Y886-F891 HydrophobicContact CG-CZ 4.19Å; Y886-F891 PolarHBondContact N-O 3.02Å; Y886-F891 PolarHBondContact O-N 2.72Å |
| 887 | A | 92.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 20% | 0.198 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -37.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E560 V582 G890 | E560-A887 PolarHBondContact OE1-N 3.48Å; E560-A887 VanDerWaalsContact OE1-N 3.15Å; V582-A887 HydrophobicContact CG2-CB 4Å; A887-G890 PolarHBondContact O-N 3.13Å |
| 888 | G | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E560 R577 Y886 G890 | E560-G888 WeakPolarHBondContact OE1-CA 3.2Å; E560-G888 PolarHBondContact OE1-N 3.13Å; R577-G888 VanDerWaalsContact CB-O 3.28Å; R577-G888 WeakPolarHBondContact CB-O 3.48Å; R577-G888 WeakPolarHBondContact CG-O 3.12Å; R577-G888 WeakPolarHBondContact O-CA 3.34Å; Y886-G888 VanDerWaalsContact C-N 3.3Å; Y886-G888 PolarHBondContact O-N 2.6Å; G888-G890 VanDerWaalsContact C-N 3.28Å; G888-G890 PolarHBondContact O-N 3.36Å |
| 889 | A | 95 | Very high | 91.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | E560 V563 I564 R577 Y886 F891 | E560-A889 HydrophobicContact CG-CB 4.22Å; E560-A889 PolarHBondContact OE1-N 3.46Å; V563-A889 HydrophobicContact CB-CB 4.08Å; V563-A889 HydrophobicContact CG1-CB 4.06Å; I564-A889 HydrophobicContact CG1-CB 4.11Å; R577-A889 PolarHBondContact NH1-O 3.34Å; Y886-A889 HydrophobicContact CD2-CB 4.41Å; Y886-A889 CarbonylContact O-C 3.5Å; Y886-A889 PolarHBondContact O-N 3.43Å; A889-F891 HydrophobicContact CB-CD1 3.92Å; A889-F891 HydrophobicContact CB-CE1 3.51Å; A889-F891 HydrophobicContact CB-CZ 4.38Å |
| 890 | G | 94.6 | Very high | 91 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P853 Y886 A887 G888 | P853-G890 WeakPolarHBondContact CD-O 3.5Å; Y886-G890 PolarHBondContact O-N 3.06Å; A887-G890 PolarHBondContact O-N 3.13Å; G888-G890 VanDerWaalsContact C-N 3.28Å; G888-G890 PolarHBondContact O-N 3.36Å |
| 891 | F | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.8 | 171.4 | 65.5 | -90.6 | 0 | 0 | 0 | 112.4 | V563 I675 P853 C855 Y886 A889 | V563-F891 HydrophobicContact CB-CE1 4.42Å; V563-F891 HydrophobicContact CG1-CE1 3.53Å; V563-F891 HydrophobicContact CG1-CZ 3.98Å; I675-F891 HydrophobicContact CD1-CG 4.44Å; I675-F891 HydrophobicContact CG2-CB 4.31Å; I675-F891 HydrophobicContact CG2-CD1 4.05Å; I675-F891 HydrophobicContact CG2-CG 4.38Å; P853-F891 HydrophobicContact CB-CB 4.32Å; P853-F891 CarbonylContact O-C 3.58Å; P853-F891 WeakPolarHBondContact O-CA 3.31Å; P853-F891 WeakPolarHBondContact O-CB 3.38Å; C855-F891 HydrophobicContact CB-CD2 3.43Å; C855-F891 VanDerWaalsContact CB-CD2 3.43Å; C855-F891 HydrophobicContact CB-CE2 3.56Å; C855-F891 HydrophobicContact CB-CG 4.37Å; Y886-F891 HydrophobicContact CD2-CE1 4.21Å; Y886-F891 AromaticContact CD2-CE2 3.95Å; Y886-F891 HydrophobicContact CD2-CE2 3.95Å; Y886-F891 AromaticContact CD2-CZ 3.49Å; Y886-F891 HydrophobicContact CD2-CZ 3.49Å; Y886-F891 VanDerWaalsContact CD2-CZ 3.49Å; Y886-F891 HydrophobicContact CE2-CZ 4.27Å; Y886-F891 HydrophobicContact CG-CE2 4.34Å; Y886-F891 HydrophobicContact CG-CZ 4.19Å; Y886-F891 PolarHBondContact N-O 3.02Å; Y886-F891 PolarHBondContact O-N 2.72Å; A889-F891 HydrophobicContact CB-CD1 3.92Å; A889-F891 HydrophobicContact CB-CE1 3.51Å; A889-F891 HydrophobicContact CB-CZ 4.38Å |
| 892 | L | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.5 | 172.2 | -57.2 | 178.5 | 0 | 0 | 0 | 109.8 | L814 F844 I849 L852 P853 V854 C855 I883 K884 A885 | L814-L892 HydrophobicContact CD1-CD1 3.73Å; L814-L892 HydrophobicContact CD2-CD1 3.51Å; L814-L892 HydrophobicContact CG-CD1 4.21Å; F844-L892 HydrophobicContact CD2-CD1 3.87Å; F844-L892 HydrophobicContact CD2-CD2 4.06Å; F844-L892 HydrophobicContact CE2-CD1 4.37Å; F844-L892 HydrophobicContact CE2-CD2 4.08Å; F844-L892 HydrophobicContact CG-CD2 4.41Å; F844-L892 HydrophobicContact CZ-CD2 4.46Å; I849-L892 HydrophobicContact CD1-CD2 4.44Å; L852-L892 HydrophobicContact CB-CG 4.16Å; L852-L892 HydrophobicContact CD1-CD2 4.28Å; P853-L892 PolarHBondContact O-N 3.42Å; V854-L892 CarbonylContact C-O 3.6Å; V854-L892 WeakPolarHBondContact CA-O 3.39Å; C855-L892 PolarHBondContact N-O 2.86Å; I883-L892 HydrophobicContact CD1-CB 4.46Å; K884-L892 CarbonylContact O-C 3.59Å; K884-L892 WeakPolarHBondContact O-CA 3.37Å; A885-L892 HydrophobicContact CB-CD2 3.65Å |
| 893 | Y | 91.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117 | -176.9 | 166.2 | -103.4 | 0 | 0 | 0 | 110.1 | I634 A857 I883 K884 L895 | I634-Y893 VanDerWaalsContact CA-CE2 3.44Å; I634-Y893 HydrophobicContact CB-CD2 4.01Å; I634-Y893 HydrophobicContact CB-CE2 3.37Å; I634-Y893 HydrophobicContact CG2-CE2 3.65Å; I634-Y893 WeakPolarHBondContact CG2-OH 3.29Å; I634-Y893 VanDerWaalsContact O-CD2 3.3Å; I634-Y893 WeakPolarHBondContact O-CD2 3.48Å; A857-Y893 HydrophobicContact CB-CD2 4.04Å; A857-Y893 HydrophobicContact CB-CE2 3.06Å; A857-Y893 WeakPolarHBondContact CB-OH 3.36Å; I883-Y893 CarbonylContact C-O 3.27Å; I883-Y893 WeakPolarHBondContact CA-O 3.4Å; I883-Y893 VanDerWaalsContact CG1-O 3.3Å; I883-Y893 WeakPolarHBondContact CG1-O 3.49Å; K884-Y893 HydrophobicContact CB-CD1 4.2Å; K884-Y893 HydrophobicContact CG-CD1 4.43Å; K884-Y893 PolarHBondContact N-O 2.87Å; K884-Y893 PolarHBondContact O-N 2.9Å; Y893-L895 HydrophobicContact CE1-CB 4.18Å; Y893-L895 HydrophobicContact CE1-CD1 4.5Å; Y893-L895 WeakPolarHBondContact OH-CD1 3.37Å |
| 894 | A | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I818 V854 C855 M856 A857 I880 I883 | I818-A894 HydrophobicContact CD1-CB 4.43Å; V854-A894 HydrophobicContact CG1-CB 4.05Å; C855-A894 PolarHBondContact O-N 3.37Å; M856-A894 HydrophobicContact SD-CB 3.78Å; A857-A894 WeakPolarHBondContact CB-O 3.24Å; A857-A894 PolarHBondContact N-O 2.91Å; I880-A894 HydrophobicContact CG2-CB 4.19Å; I883-A894 HydrophobicContact CD1-CB 4.4Å; I883-A894 HydrophobicContact CG1-CB 4.26Å |
| 895 | L | 93.5 | Very high | 89.7 | Confident | 21 Ų | 21 | 29.2 Ų | 29.2 | 11% | 0.11 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.9 | -176.8 | -176.3 | 72.1 | 0 | 0 | 0 | 110.9 | A857 R881 E882 Y893 G897 I899 | A857-L895 HydrophobicContact CB-CD1 4.17Å; R881-L895 PolarHBondContact N-O 2.92Å; E882-L895 HydrophobicContact CB-CB 4.05Å; E882-L895 HydrophobicContact CB-CD2 4.08Å; E882-L895 PolarHBondContact O-N 2.68Å; Y893-L895 HydrophobicContact CE1-CB 4.18Å; Y893-L895 HydrophobicContact CE1-CD1 4.5Å; Y893-L895 WeakPolarHBondContact OH-CD1 3.37Å; L895-G897 WeakPolarHBondContact CD1-O 3.23Å; L895-G897 WeakPolarHBondContact CG-O 3.48Å; L895-I899 HydrophobicContact CD1-CB 3.85Å; L895-I899 HydrophobicContact CD1-CD1 3.97Å; L895-I899 HydrophobicContact CD1-CG1 4.09Å |
| 896 | A | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -101.9 | 10.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A857 K858 M865 L878 P879 I880 | A857-A896 WeakPolarHBondContact O-CA 3.46Å; A857-A896 WeakPolarHBondContact O-CB 3.45Å; A857-A896 PolarHBondContact O-N 3.11Å; K858-A896 HydrophobicContact CB-CB 4.35Å; M865-A896 WeakPolarHBondContact CB-O 3.47Å; L878-A896 HydrophobicContact CD1-CB 3.88Å; L878-A896 HydrophobicContact CG-CB 4.21Å; P879-A896 CarbonylContact O-C 3.59Å; P879-A896 WeakPolarHBondContact O-CA 3.31Å; I880-A896 HydrophobicContact CD1-CB 4.06Å | ||
| 897 | G | 82.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -174.1 | -170.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L895 I899 | L895-G897 WeakPolarHBondContact CD1-O 3.23Å; L895-G897 WeakPolarHBondContact CG-O 3.48Å; G897-I899 PolarHBondContact O-N 3.21Å |
| 898 | D | 79 | Confident | 89.3 | Confident | 140 Ų | 140 | 40.7 Ų | 40.7 | 75% | 0.749 | 22% | 0.224 | S | C | * | . | trans | -89.7 | 96.5 | -179.2 | -64.8 | -24.3 | 0 | 0 | 0 | 110.6 | R881 | R881-D898 IonicContact CZ-OD1 2.73Å; R881-D898 VanDerWaalsContact NH1-CG 3.31Å; R881-D898 IonicContact NH1-OD1 3.53Å; R881-D898 PolarHBondContact NH1-OD1 2.71Å; R881-D898 IonicContact NH1-OD2 3.61Å; R881-D898 PolarHBondContact NH1-OD2 2.79Å | ||
| 899 | I | 79.2 | Confident | 89.1 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | trans | -107.8 | 124.8 | 177.8 | -65.8 | 169.6 | 0 | 0 | 0 | 110.1 | N633 I634 A857 L895 G897 | N633-I899 HydrophobicContact CB-CD1 4.35Å; N633-I899 HydrophobicContact CB-CG2 3.91Å; I634-I899 HydrophobicContact CG2-CG2 3.81Å; A857-I899 HydrophobicContact CB-CD1 3.47Å; A857-I899 VanDerWaalsContact CB-CD1 3.47Å; L895-I899 HydrophobicContact CD1-CB 3.85Å; L895-I899 HydrophobicContact CD1-CD1 3.97Å; L895-I899 HydrophobicContact CD1-CG1 4.09Å; G897-I899 PolarHBondContact O-N 3.21Å | ||
| 900 | Q | 80.2 | Confident | 88.7 | Confident | 117 Ų | 117 | 42.1 Ų | 42.1 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | trans | -87 | 127.3 | 174.3 | -64.3 | 178.1 | -7.8 | 0 | 0 | 110.3 | ||||
| 901 | T | 83 | Confident | 88.3 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 29% | 0.288 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.8 | -11 | 175.8 | 56 | 0 | 0 | 0 | 0 | 113.5 | C554 I555 S558 I634 | C554-T901 PolarHBondContact SG-OG1 2.98Å; I555-T901 WeakPolarHBondContact CG2-O 3.39Å; I555-T901 PolarHBondContact N-O 2.84Å; I555-T901 VanDerWaalsContact N-O 3.1Å; S558-T901 PolarHBondContact OG-O 2.67Å; I634-T901 HydrophobicContact CD1-CG2 4.1Å; I634-T901 HydrophobicContact CG2-CG2 4.48Å |
| 902 | M | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -126.3 | 100.6 | 171.7 | -178.2 | 57.2 | 83.7 | 0 | 0 | 109.3 | D530 R534 F553 C554 | D530-M902 WeakPolarHBondContact O-CG 3.34Å; R534-M902 HydrophobicContact CG-CB 3.83Å; R534-M902 HydrophobicContact CG-CG 4.29Å; R534-M902 VanDerWaalsContact CZ-O 3.3Å; R534-M902 PolarHBondContact NE-O 3.49Å; R534-M902 PolarHBondContact NH2-O 3.17Å; F553-M902 HydrophobicContact CB-CE 3.64Å; C554-M902 WeakPolarHBondContact O-CE 3.21Å |
| 903 | P | 87.1 | Confident | 87.8 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | trans | -66.3 | 157.5 | 177.4 | 28.6 | -35 | 0 | 0 | 0 | 111.3 | N529 D530 I555 | N529-P903 CarbonylContact C-O 3.57Å; N529-P903 WeakPolarHBondContact CA-O 3.33Å; N529-P903 HydrophobicContact CB-CG 4.37Å; N529-P903 WeakPolarHBondContact OD1-CG 3.47Å; D530-P903 PolarHBondContact N-O 2.87Å; I555-P903 HydrophobicContact CD1-CG 3.96Å | ||
| 904 | G | 90 | Very high | 87.7 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 19% | 0.186 | 30% | 0.298 | C | S | . | . | trans | -109.8 | 155.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 905 | L | 89.9 | Confident | 87.5 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | trans | -59.5 | 138.9 | 169.8 | -69.5 | 170.2 | 0 | 0 | 0 | 110.4 | N529 R531 P909 F911 | N529-L905 HydrophobicContact CB-CD2 3.9Å; N529-L905 HydrophobicContact CB-CG 4.01Å; R531-L905 PolarHBondContact NH2-O 3.05Å; L905-P909 HydrophobicContact CB-CG 3.97Å; L905-P909 HydrophobicContact CD2-CB 4.01Å; L905-P909 HydrophobicContact CD2-CG 4.01Å; L905-P909 HydrophobicContact CG-CG 4.42Å; L905-F911 HydrophobicContact CD1-CE1 3.97Å; L905-F911 HydrophobicContact CD1-CZ 4.5Å; L905-F911 HydrophobicContact CD2-CD1 4.46Å; L905-F911 HydrophobicContact CD2-CE1 3.86Å | ||
| 906 | P | 88.6 | Confident | 87.5 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | trans | -72.1 | 175.6 | 169 | 35 | -40 | 0 | 0 | 0 | 110.8 | M412 R908 P909 | M412-P906 HydrophobicContact CG-CB 3.91Å; M412-P906 HydrophobicContact CG-CG 3.63Å; M412-P906 HydrophobicContact SD-CB 3.8Å; M412-P906 HydrophobicContact SD-CG 4.23Å; P906-R908 VanDerWaalsContact C-N 3.29Å; P906-R908 PolarHBondContact O-N 3.29Å; P906-P909 HydrophobicContact CG-CB 4.14Å; P906-P909 HydrophobicContact CG-CG 4.02Å; P906-P909 WeakPolarHBondContact O-CD 3.32Å; P906-P909 WeakPolarHBondContact O-CG 3.49Å | ||
| 907 | V | 90.9 | Very high | 87.6 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 91% | 0.909 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -61.6 | -39.2 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 908 | R | 89.1 | Confident | 88.2 | Confident | 149 Ų | 149 | 73.7 Ų | 73.7 | 56% | 0.562 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -120.6 | 90.1 | 172.1 | -174.6 | -175.6 | -179.1 | 85.7 | 2.6 | 109.4 | P906 Y912 D913 | P906-R908 VanDerWaalsContact C-N 3.29Å; P906-R908 PolarHBondContact O-N 3.29Å; R908-Y912 HydrophobicContact CG-CD2 4.48Å; R908-Y912 HydrophobicContact CG-CG 4.46Å; R908-D913 IonicContact CZ-OD1 3.7Å; R908-D913 IonicContact CZ-OD2 3.28Å; R908-D913 IonicContact NE-OD2 3.2Å; R908-D913 IonicContact NH2-OD1 3.78Å; R908-D913 PolarHBondContact NH2-OD1 2.9Å; R908-D913 IonicContact NH2-OD2 3.61Å; R908-D913 PolarHBondContact NH2-OD2 2.97Å |
| 909 | P | 89.2 | Confident | 89 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.032 | 39% | 0.388 | C | S | . | . | trans | -68.6 | 155 | 173.7 | -22.1 | 36.2 | 0 | 0 | 0 | 112.2 | F410 L905 P906 F911 Y912 | F410-P909 WeakPolarHBondContact O-CB 3.39Å; L905-P909 HydrophobicContact CB-CG 3.97Å; L905-P909 HydrophobicContact CD2-CB 4.01Å; L905-P909 HydrophobicContact CD2-CG 4.01Å; L905-P909 HydrophobicContact CG-CG 4.42Å; P906-P909 HydrophobicContact CG-CB 4.14Å; P906-P909 HydrophobicContact CG-CG 4.02Å; P906-P909 WeakPolarHBondContact O-CD 3.32Å; P906-P909 WeakPolarHBondContact O-CG 3.49Å; P909-F911 HydrophobicContact CB-CD1 3.51Å; P909-F911 HydrophobicContact CB-CD2 4.37Å; P909-F911 HydrophobicContact CB-CE1 3.3Å; P909-F911 HydrophobicContact CB-CE2 4.17Å; P909-F911 HydrophobicContact CB-CG 4.06Å; P909-F911 HydrophobicContact CB-CZ 3.65Å; P909-F911 HydrophobicContact CG-CD1 4.26Å; P909-F911 HydrophobicContact CG-CE1 3.53Å; P909-F911 HydrophobicContact CG-CE2 4.22Å; P909-F911 HydrophobicContact CG-CZ 3.49Å; P909-F911 VanDerWaalsContact CG-CZ 3.49Å; P909-F911 PolarHBondContact O-N 3.38Å; P909-F911 VanDerWaalsContact O-N 3.13Å; P909-Y912 PolarHBondContact O-N 2.99Å; P909-Y912 VanDerWaalsContact O-N 3.15Å | ||
| 910 | A | 87.1 | Confident | 89.6 | Confident | 28 Ų | 28 | 73.9 Ų | 73.9 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F410 G411 Y912 D913 M914 | F410-A910 PolarHBondContact O-N 3.33Å; G411-A910 WeakPolarHBondContact O-CB 3.37Å; G411-A910 PolarHBondContact O-N 2.94Å; A910-Y912 PolarHBondContact O-N 3.36Å; A910-D913 PolarHBondContact O-N 3.48Å; A910-D913 VanDerWaalsContact O-N 3.16Å; A910-M914 HydrophobicContact CB-CE 3.75Å |
| 911 | F | 87.7 | Confident | 90.1 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -60.9 | -16.1 | 176.5 | 62.9 | -120.8 | 0 | 0 | 0 | 114.4 | F410 L905 P909 D913 M914 | F410-F911 HydrophobicContact CB-CD1 4.43Å; F410-F911 HydrophobicContact CD1-CB 3.83Å; L905-F911 HydrophobicContact CD1-CE1 3.97Å; L905-F911 HydrophobicContact CD1-CZ 4.5Å; L905-F911 HydrophobicContact CD2-CD1 4.46Å; L905-F911 HydrophobicContact CD2-CE1 3.86Å; P909-F911 HydrophobicContact CB-CD1 3.51Å; P909-F911 HydrophobicContact CB-CD2 4.37Å; P909-F911 HydrophobicContact CB-CE1 3.3Å; P909-F911 HydrophobicContact CB-CE2 4.17Å; P909-F911 HydrophobicContact CB-CG 4.06Å; P909-F911 HydrophobicContact CB-CZ 3.65Å; P909-F911 HydrophobicContact CG-CD1 4.26Å; P909-F911 HydrophobicContact CG-CE1 3.53Å; P909-F911 HydrophobicContact CG-CE2 4.22Å; P909-F911 HydrophobicContact CG-CZ 3.49Å; P909-F911 VanDerWaalsContact CG-CZ 3.49Å; P909-F911 PolarHBondContact O-N 3.38Å; P909-F911 VanDerWaalsContact O-N 3.13Å; F911-D913 PolarHBondContact O-N 3.31Å; F911-M914 PolarHBondContact O-N 3.44Å |
| 912 | Y | 90 | Very high | 90.3 | Very high | 144 Ų | 144 | 72.9 Ų | 72.9 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -63.4 | -28.4 | 176.5 | -94.2 | -98.2 | 0 | 0 | 0 | 112.9 | R908 P909 A910 | R908-Y912 HydrophobicContact CG-CD2 4.48Å; R908-Y912 HydrophobicContact CG-CG 4.46Å; P909-Y912 PolarHBondContact O-N 2.99Å; P909-Y912 VanDerWaalsContact O-N 3.15Å; A910-Y912 PolarHBondContact O-N 3.36Å |
| 913 | D | 88.5 | Confident | 90.2 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -6.4 | -176.3 | -58.8 | -54.2 | 0 | 0 | 0 | 111.1 | R908 A910 F911 G925 | R908-D913 IonicContact CZ-OD1 3.7Å; R908-D913 IonicContact CZ-OD2 3.28Å; R908-D913 IonicContact NE-OD2 3.2Å; R908-D913 IonicContact NH2-OD1 3.78Å; R908-D913 PolarHBondContact NH2-OD1 2.9Å; R908-D913 IonicContact NH2-OD2 3.61Å; R908-D913 PolarHBondContact NH2-OD2 2.97Å; A910-D913 PolarHBondContact O-N 3.48Å; A910-D913 VanDerWaalsContact O-N 3.16Å; F911-D913 PolarHBondContact O-N 3.31Å; D913-G925 WeakPolarHBondContact O-CA 3.32Å |
| 914 | M | 89.1 | Confident | 90.1 | Very high | 32 Ų | 32 | 77.6 Ų | 77.6 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | trans | -92.2 | 130 | 180 | -62.7 | -179.4 | -169.9 | 0 | 0 | 112.4 | T409 F410 A910 F911 Y924 L926 | T409-M914 WeakPolarHBondContact O-CE 3.42Å; F410-M914 HydrophobicContact CD1-CE 4.23Å; F410-M914 HydrophobicContact CD1-SD 3.43Å; F410-M914 WeakPolarHBondContact CD1-SD 3.3Å; F410-M914 HydrophobicContact CE1-SD 3.41Å; F410-M914 WeakPolarHBondContact CE1-SD 3.33Å; A910-M914 HydrophobicContact CB-CE 3.75Å; F911-M914 PolarHBondContact O-N 3.44Å; M914-Y924 VanDerWaalsContact CA-O 3.29Å; M914-Y924 WeakPolarHBondContact CA-O 3.45Å; M914-L926 HydrophobicContact CE-CD1 3.79Å; M914-L926 HydrophobicContact SD-CD1 4.01Å | ||
| 915 | D | 92.1 | Very high | 89.8 | Confident | 91 Ų | 91 | 78 Ų | 78 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 179.5 | 174.4 | -169.4 | 5.3 | 0 | 0 | 0 | 109.7 | Y924 | D915-Y924 HydrophobicContact CB-CD2 4.21Å; D915-Y924 HydrophobicContact CB-CE1 4.23Å; D915-Y924 HydrophobicContact CB-CE2 3.46Å; D915-Y924 VanDerWaalsContact CB-CE2 3.46Å; D915-Y924 VanDerWaalsContact CB-CZ 3.44Å; D915-Y924 WeakPolarHBondContact CB-OH 3.23Å; D915-Y924 PolarHBondContact N-O 3.15Å; D915-Y924 WeakPolarHBondContact O-CD1 3.46Å; D915-Y924 PolarHBondContact O-N 3.39Å; D915-Y924 PolarHBondContact OD2-OH 3.26Å |
| 916 | I | 92.5 | Very high | 89.3 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.1 | -173.5 | -169.9 | 172.3 | 0 | 0 | 0 | 111.2 | T918 E922 | I916-T918 PolarHBondContact O-N 3.49Å; I916-E922 CarbonylContact C-O 3.54Å; I916-E922 WeakPolarHBondContact CA-O 3.36Å |
| 917 | D | 93.4 | Very high | 88.1 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 32% | 0.321 | 44% | 0.44 | S | S | . | . | trans | -73.8 | 112 | 169.9 | 177.6 | -20.7 | 0 | 0 | 0 | 108.3 | A919 T920 G921 E922 Y924 | D917-A919 PolarHBondContact O-N 3.44Å; D917-A919 WeakPolarHBondContact OD1-CA 3.25Å; D917-A919 WeakPolarHBondContact OD1-CB 3.42Å; D917-A919 PolarHBondContact OD1-N 3.09Å; D917-T920 VanDerWaalsContact CB-OG1 3.22Å; D917-T920 WeakPolarHBondContact CB-OG1 3.37Å; D917-T920 PolarHBondContact O-N 3.18Å; D917-T920 PolarHBondContact OD1-N 3.39Å; D917-T920 PolarHBondContact OD2-OG1 3.49Å; D917-G921 VanDerWaalsContact O-CA 3.24Å; D917-G921 WeakPolarHBondContact O-CA 3.38Å; D917-G921 PolarHBondContact O-N 3.36Å; D917-E922 HydrophobicContact CB-CB 4.31Å; D917-E922 PolarHBondContact N-O 2.82Å; D917-Y924 HydrophobicContact CB-CE1 4.45Å | ||
| 918 | T | 95.6 | Very high | 87.9 | Confident | 140 Ų | 140 | 74.8 Ų | 74.8 | 86% | 0.859 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.1 | -176.8 | 61 | 0 | 0 | 0 | 0 | 114.9 | I916 | I916-T918 PolarHBondContact O-N 3.49Š|
| 919 | A | 96.1 | Very high | 87.9 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 76% | 0.76 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D917 | D917-A919 PolarHBondContact O-N 3.44Å; D917-A919 WeakPolarHBondContact OD1-CA 3.25Å; D917-A919 WeakPolarHBondContact OD1-CB 3.42Å; D917-A919 PolarHBondContact OD1-N 3.09Å |
| 920 | T | 93 | Very high | 87.8 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -19.5 | -176.1 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | D917 E922 | D917-T920 VanDerWaalsContact CB-OG1 3.22Å; D917-T920 WeakPolarHBondContact CB-OG1 3.37Å; D917-T920 PolarHBondContact O-N 3.18Å; D917-T920 PolarHBondContact OD1-N 3.39Å; D917-T920 PolarHBondContact OD2-OG1 3.49Å; T920-E922 WeakPolarHBondContact OG1-CB 3.28Å; T920-E922 WeakPolarHBondContact OG1-CG 3.4Å; T920-E922 PolarHBondContact OG1-N 3.47Å |
| 921 | G | 89.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | trans | 76.4 | 6.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D917 | D917-G921 VanDerWaalsContact O-CA 3.24Å; D917-G921 WeakPolarHBondContact O-CA 3.38Å; D917-G921 PolarHBondContact O-N 3.36Å | ||
| 922 | E | 87.5 | Confident | 87.8 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | trans | -75 | 133 | -175.8 | -74.1 | -171.4 | -163.9 | 0 | 0 | 112.9 | K316 I916 D917 T920 | K316-E922 IonicContact NZ-OE2 3.79Å; K316-E922 PolarHBondContact NZ-OE2 2.83Å; I916-E922 CarbonylContact C-O 3.54Å; I916-E922 WeakPolarHBondContact CA-O 3.36Å; D917-E922 HydrophobicContact CB-CB 4.31Å; D917-E922 PolarHBondContact N-O 2.82Å; T920-E922 WeakPolarHBondContact OG1-CB 3.28Å; T920-E922 WeakPolarHBondContact OG1-CG 3.4Å; T920-E922 PolarHBondContact OG1-N 3.47Å | ||
| 923 | V | 87.9 | Confident | 87.7 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 21% | 0.212 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 138.5 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | K316 L432 L926 | K316-V923 WeakPolarHBondContact CE-O 3.19Å; K316-V923 PolarHBondContact NZ-O 2.76Å; L432-V923 HydrophobicContact CD1-CG1 4.41Å; L432-V923 HydrophobicContact CD1-CG2 4.42Å; V923-L926 HydrophobicContact CG1-CB 4.37Å |
| 924 | Y | 85.1 | Confident | 87.6 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 40% | 0.4 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 163.6 | 169.9 | 51.5 | -88.6 | 0 | 0 | 0 | 110.9 | M914 D915 D917 L926 | M914-Y924 VanDerWaalsContact CA-O 3.29Å; M914-Y924 WeakPolarHBondContact CA-O 3.45Å; D915-Y924 HydrophobicContact CB-CD2 4.21Å; D915-Y924 HydrophobicContact CB-CE1 4.23Å; D915-Y924 HydrophobicContact CB-CE2 3.46Å; D915-Y924 VanDerWaalsContact CB-CE2 3.46Å; D915-Y924 VanDerWaalsContact CB-CZ 3.44Å; D915-Y924 WeakPolarHBondContact CB-OH 3.23Å; D915-Y924 PolarHBondContact N-O 3.15Å; D915-Y924 WeakPolarHBondContact O-CD1 3.46Å; D915-Y924 PolarHBondContact O-N 3.39Å; D915-Y924 PolarHBondContact OD2-OH 3.26Å; D917-Y924 HydrophobicContact CB-CE1 4.45Å; Y924-L926 VanDerWaalsContact C-N 3.27Å; Y924-L926 PolarHBondContact O-N 2.92Å |
| 925 | G | 83 | Confident | 87.5 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | S | Bend | trans | 80.9 | -1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | D913 S927 | D913-G925 WeakPolarHBondContact O-CA 3.32Å; G925-S927 PolarHBondContact O-N 2.92Å; G925-S927 VanDerWaalsContact O-N 3.15Å |
| 926 | L | 79.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 45% | 0.453 | C | S | . | . | trans | -82.3 | 86.5 | 175.7 | -167.4 | 76.7 | 0 | 0 | 0 | 109.2 | I312 T409 E428 N431 L432 M914 V923 Y924 | I312-L926 WeakPolarHBondContact CB-O 3.41Å; T409-L926 HydrophobicContact CG2-CD1 3.84Å; E428-L926 VanDerWaalsContact CA-CD2 3.48Å; E428-L926 HydrophobicContact CB-CD2 3.95Å; N431-L926 HydrophobicContact CB-CD1 4.34Å; N431-L926 HydrophobicContact CB-CD2 3.97Å; N431-L926 HydrophobicContact CB-CG 4.48Å; L432-L926 HydrophobicContact CD1-CD2 4.3Å; L432-L926 HydrophobicContact CD2-CD1 4.17Å; L432-L926 HydrophobicContact CG-CD1 4.43Å; L432-L926 HydrophobicContact CG-CD2 4.33Å; M914-L926 HydrophobicContact CE-CD1 3.79Å; M914-L926 HydrophobicContact SD-CD1 4.01Å; V923-L926 HydrophobicContact CG1-CB 4.37Å; Y924-L926 VanDerWaalsContact C-N 3.27Å; Y924-L926 PolarHBondContact O-N 2.92Å | ||
| 927 | S | 62.4 | Low | 86.6 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 73% | 0.734 | 46% | 0.456 | S | S | * | . | trans | -113.8 | 0 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | G925 | G925-S927 PolarHBondContact O-N 2.92Å; G925-S927 VanDerWaalsContact O-N 3.15Å |
Retrieved 927 of 927 residues in 431.4 ms
(Link to these results)