| 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 | 87.9 | Confident | 94.3 | Very high | 85 Ų | 85 | 53 Ų | 53 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | 0 | 120.9 | 0 | -177.8 | 58.6 | 77.1 | 0 | 0 | 106.8 | Q5 M6 K9 V49 Y52 | M1-Q5 HydrophobicContact SD-CB 3.39Å; M1-Q5 WeakPolarHBondContact SD-CB 3.25Å; M1-M6 HydrophobicContact CG-CB 4.38Å; M1-M6 HydrophobicContact CG-CE 3.72Å; M1-M6 HydrophobicContact SD-CB 4.23Å; M1-M6 HydrophobicContact SD-CE 4.34Å; M1-M6 PolarHBondContact SD-N 3.07Å; M1-K9 HydrophobicContact CE-CD 3.84Å; M1-V49 WeakPolarHBondContact O-CG1 3.2Å; M1-Y52 HydrophobicContact CB-CD1 3.53Å; M1-Y52 HydrophobicContact CB-CE1 3.78Å; M1-Y52 HydrophobicContact CB-CG 4.21Å; M1-Y52 HydrophobicContact CE-CE1 3.97Å; M1-Y52 HydrophobicContact CE-CE2 4.18Å; M1-Y52 HydrophobicContact CG-CD1 3.88Å; M1-Y52 HydrophobicContact CG-CE1 4.14Å; M1-Y52 HydrophobicContact CG-CG 4.1Å | |||
| 2 | N | 92.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 60.7 Ų | 60.7 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | trans | -112.7 | 175.2 | 175.3 | 69.2 | 28.1 | 0 | 0 | 0 | 111 | F4 Q5 M6 | N2-F4 VanDerWaalsContact C-N 3.28Å; N2-F4 PolarHBondContact O-N 3.41Å; N2-F4 PolarHBondContact OD1-N 2.91Å; N2-F4 VanDerWaalsContact OD1-N 3.07Å; N2-Q5 PolarHBondContact O-N 3.44Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.47Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 3.28Å; N2-M6 WeakPolarHBondContact O-CB 3.34Å; N2-M6 PolarHBondContact O-N 3.24Å | ||
| 3 | T | 92.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53 | -42.5 | 180 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | M6 R7 F23 E28 L45 | T3-M6 PolarHBondContact O-N 3.02Å; T3-R7 WeakPolarHBondContact O-CB 3.49Å; T3-R7 PolarHBondContact O-N 2.9Å; T3-F23 HydrophobicContact CG2-CE2 4.16Å; T3-F23 HydrophobicContact CG2-CZ 4.1Å; T3-E28 WeakPolarHBondContact CB-OE1 3.47Å; T3-E28 HydrophobicContact CG2-CB 3.9Å; T3-E28 HydrophobicContact CG2-CG 4.05Å; T3-E28 PolarHBondContact OG1-OE1 2.97Å; T3-L45 HydrophobicContact CG2-CB 3.88Å; T3-L45 HydrophobicContact CG2-CD1 3.83Å |
| 4 | F | 93.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -44.3 | -179.2 | -61.2 | -82.2 | 0 | 0 | 0 | 112.3 | N2 M6 R7 D8 F23 | N2-F4 VanDerWaalsContact C-N 3.28Å; N2-F4 PolarHBondContact O-N 3.41Å; N2-F4 PolarHBondContact OD1-N 2.91Å; N2-F4 VanDerWaalsContact OD1-N 3.07Å; F4-M6 VanDerWaalsContact C-N 3.33Å; F4-M6 PolarHBondContact O-N 3.47Å; F4-R7 WeakPolarHBondContact O-CB 3.5Å; F4-R7 PolarHBondContact O-N 2.85Å; F4-D8 VanDerWaalsContact O-CG 3.24Å; F4-D8 PolarHBondContact O-N 3.38Å; F4-F23 HydrophobicContact CD1-CE1 4.39Å; F4-F23 AromaticContact CE1-CE1 3.99Å; F4-F23 HydrophobicContact CE1-CE1 3.99Å; F4-F23 HydrophobicContact CE1-CZ 4.45Å |
| 5 | Q | 94.8 | Very high | 94.6 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 175.2 | -68.9 | 174.6 | -35.1 | 0 | 0 | 111.4 | M1 N2 D8 K9 | M1-Q5 HydrophobicContact SD-CB 3.39Å; M1-Q5 WeakPolarHBondContact SD-CB 3.25Å; N2-Q5 PolarHBondContact O-N 3.44Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.47Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 3.28Å; Q5-D8 PolarHBondContact O-N 3.49Å; Q5-K9 WeakPolarHBondContact O-CB 3.35Å; Q5-K9 PolarHBondContact O-N 3.12Å |
| 6 | M | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.4 | -178 | 58.9 | 69.5 | 0 | 0 | 111.3 | M1 N2 T3 F4 D8 K9 L10 L45 I48 V49 Y52 V60 | M1-M6 HydrophobicContact CG-CB 4.38Å; M1-M6 HydrophobicContact CG-CE 3.72Å; M1-M6 HydrophobicContact SD-CB 4.23Å; M1-M6 HydrophobicContact SD-CE 4.34Å; M1-M6 PolarHBondContact SD-N 3.07Å; N2-M6 WeakPolarHBondContact O-CB 3.34Å; N2-M6 PolarHBondContact O-N 3.24Å; T3-M6 PolarHBondContact O-N 3.02Å; F4-M6 VanDerWaalsContact C-N 3.33Å; F4-M6 PolarHBondContact O-N 3.47Å; M6-D8 PolarHBondContact O-N 3.37Å; M6-K9 PolarHBondContact O-N 2.96Å; M6-L10 HydrophobicContact CG-CD1 4.06Å; M6-L10 WeakPolarHBondContact O-CB 3.3Å; M6-L10 VanDerWaalsContact O-CG 3.32Å; M6-L10 WeakPolarHBondContact O-CG 3.48Å; M6-L10 PolarHBondContact O-N 2.94Å; M6-L10 HydrophobicContact SD-CD1 4.11Å; M6-L10 HydrophobicContact SD-CG 4.11Å; M6-L45 HydrophobicContact CG-CD2 4.3Å; M6-I48 HydrophobicContact CE-CG2 3.69Å; M6-I48 HydrophobicContact CG-CB 4.45Å; M6-I48 HydrophobicContact CG-CG2 4.18Å; M6-I48 HydrophobicContact SD-CG2 3.69Å; M6-V49 HydrophobicContact CB-CG2 3.79Å; M6-V49 HydrophobicContact CE-CG2 4.46Å; M6-V49 HydrophobicContact CG-CG2 4.15Å; M6-Y52 HydrophobicContact CE-CD2 3.61Å; M6-Y52 HydrophobicContact CE-CE2 4.29Å; M6-Y52 HydrophobicContact CE-CG 3.97Å; M6-V60 HydrophobicContact CE-CG2 4.13Å; M6-V60 HydrophobicContact SD-CG2 4.07Å |
| 7 | R | 95.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.1 | -52.6 | 173.6 | 179.3 | -159.5 | 67.4 | -162.9 | -5.7 | 111 | T3 F4 K9 L10 K11 F23 L30 L45 | T3-R7 WeakPolarHBondContact O-CB 3.49Å; T3-R7 PolarHBondContact O-N 2.9Å; F4-R7 WeakPolarHBondContact O-CB 3.5Å; F4-R7 PolarHBondContact O-N 2.85Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.47Å; R7-L10 PolarHBondContact O-N 3.46Å; R7-K11 HydrophobicContact CG-CD 4.42Å; R7-K11 WeakPolarHBondContact O-CG 3.36Å; R7-K11 PolarHBondContact O-N 2.86Å; R7-F23 HydrophobicContact CG-CD2 4.25Å; R7-F23 HydrophobicContact CG-CG 4.42Å; R7-L30 HydrophobicContact CG-CD1 4.13Å; R7-L30 HydrophobicContact CG-CD2 4.33Å; R7-L45 HydrophobicContact CB-CD1 3.68Å; R7-L45 HydrophobicContact CG-CD1 4.34Å |
| 8 | D | 96.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | -175.1 | -65.7 | -19.6 | 0 | 0 | 0 | 111 | F4 Q5 M6 L10 K11 E12 | F4-D8 VanDerWaalsContact O-CG 3.24Å; F4-D8 PolarHBondContact O-N 3.38Å; Q5-D8 PolarHBondContact O-N 3.49Å; M6-D8 PolarHBondContact O-N 3.37Å; D8-L10 PolarHBondContact O-N 3.26Å; D8-K11 PolarHBondContact O-N 2.91Å; D8-E12 WeakPolarHBondContact O-CB 3.23Å; D8-E12 PolarHBondContact O-N 3.44Å |
| 9 | K | 95.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 63 Ų | 63 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.5 | -171.3 | 175.7 | -167.7 | -177.5 | 0 | 113.1 | M1 Q5 M6 R7 E12 R13 Y52 E57 V60 | M1-K9 HydrophobicContact CE-CD 3.84Å; Q5-K9 WeakPolarHBondContact O-CB 3.35Å; Q5-K9 PolarHBondContact O-N 3.12Å; M6-K9 PolarHBondContact O-N 2.96Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.47Å; K9-E12 PolarHBondContact O-N 2.86Å; K9-R13 HydrophobicContact CG-CG 4.45Å; K9-R13 WeakPolarHBondContact O-CB 3.49Å; K9-R13 WeakPolarHBondContact O-CG 3.24Å; K9-R13 PolarHBondContact O-N 3.31Å; K9-Y52 PolarHBondContact NZ-OH 2.86Å; K9-E57 VanDerWaalsContact CE-OE2 3.24Å; K9-E57 WeakPolarHBondContact CE-OE2 3.26Å; K9-E57 IonicContact NZ-OE1 2.85Å; K9-E57 PolarHBondContact NZ-OE1 2.87Å; K9-E57 IonicContact NZ-OE2 2.74Å; K9-E57 PolarHBondContact NZ-OE2 3.43Å; K9-V60 HydrophobicContact CD-CG1 4.32Å; K9-V60 HydrophobicContact CD-CG2 4.21Å; K9-V60 HydrophobicContact CG-CG1 4.43Å |
| 10 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 177.2 | -70.4 | 172.7 | 0 | 0 | 0 | 111.4 | M6 R7 D8 E12 R13 L14 L30 I43 L45 I48 V60 I63 V64 | M6-L10 HydrophobicContact CG-CD1 4.06Å; M6-L10 WeakPolarHBondContact O-CB 3.3Å; M6-L10 VanDerWaalsContact O-CG 3.32Å; M6-L10 WeakPolarHBondContact O-CG 3.48Å; M6-L10 PolarHBondContact O-N 2.94Å; M6-L10 HydrophobicContact SD-CD1 4.11Å; M6-L10 HydrophobicContact SD-CG 4.11Å; R7-L10 PolarHBondContact O-N 3.46Å; D8-L10 PolarHBondContact O-N 3.26Å; L10-E12 VanDerWaalsContact C-N 3.35Å; L10-E12 PolarHBondContact O-N 2.96Å; L10-R13 PolarHBondContact O-N 2.73Å; L10-L14 HydrophobicContact CB-CD1 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CD1 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.35Å; L10-L30 HydrophobicContact CB-CD2 4.26Å; L10-I43 HydrophobicContact CD1-CD1 3.47Å; L10-I43 VanDerWaalsContact CD1-CD1 3.47Å; L10-L45 HydrophobicContact CD1-CD2 3.8Å; L10-I48 HydrophobicContact CD1-CD1 4.1Å; L10-V60 HydrophobicContact CD2-CG1 4.03Å; L10-I63 HydrophobicContact CD1-CG2 4.26Å; L10-I63 HydrophobicContact CD2-CB 4.39Å; L10-I63 HydrophobicContact CD2-CG2 3.89Å; L10-V64 HydrophobicContact CD2-CG2 3.94Å |
| 11 | K | 96.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 30% | 0.296 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.1 | -75.1 | -176.6 | 172.7 | -156.8 | 0 | 112.2 | R7 D8 L14 S15 F21 L30 | R7-K11 HydrophobicContact CG-CD 4.42Å; R7-K11 WeakPolarHBondContact O-CG 3.36Å; R7-K11 PolarHBondContact O-N 2.86Å; D8-K11 PolarHBondContact O-N 2.91Å; K11-L14 PolarHBondContact O-N 2.96Å; K11-S15 PolarHBondContact O-N 3.05Å; K11-S15 VanDerWaalsContact O-N 3.15Å; K11-F21 HydrophobicContact CD-CB 4.34Å; K11-F21 HydrophobicContact CD-CG 4.3Å; K11-F21 VanDerWaalsContact CE-CB 3.46Å; K11-F21 HydrophobicContact CG-CB 4.33Å; K11-F21 HydrophobicContact CG-CD1 3.82Å; K11-F21 HydrophobicContact CG-CD2 4.12Å; K11-F21 HydrophobicContact CG-CE1 4.1Å; K11-F21 HydrophobicContact CG-CE2 4.38Å; K11-F21 HydrophobicContact CG-CG 3.83Å; K11-F21 HydrophobicContact CG-CZ 4.37Å; K11-L30 HydrophobicContact CG-CD2 4.46Å |
| 12 | E | 96.6 | Very high | 94.7 | Very high | 145 Ų | 145 | 66 Ų | 66 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.3 | -47.7 | 176.2 | -177 | -176.1 | -179 | 0 | 0 | 111.3 | D8 K9 L10 L14 S15 | D8-E12 WeakPolarHBondContact O-CB 3.23Å; D8-E12 PolarHBondContact O-N 3.44Å; K9-E12 PolarHBondContact O-N 2.86Å; L10-E12 VanDerWaalsContact C-N 3.35Å; L10-E12 PolarHBondContact O-N 2.96Å; E12-L14 PolarHBondContact O-N 3.04Å; E12-S15 WeakPolarHBondContact O-CB 3.39Å; E12-S15 PolarHBondContact O-N 2.94Å; E12-S15 PolarHBondContact O-OG 3.4Å; E12-S15 VanDerWaalsContact O-OG 3.09Å |
| 13 | R | 95.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -17.2 | -179.8 | -72.1 | -70.7 | -58.2 | -86.8 | -3.2 | 114.3 | K9 L10 H16 V60 D61 V64 | K9-R13 HydrophobicContact CG-CG 4.45Å; K9-R13 WeakPolarHBondContact O-CB 3.49Å; K9-R13 WeakPolarHBondContact O-CG 3.24Å; K9-R13 PolarHBondContact O-N 3.31Å; L10-R13 PolarHBondContact O-N 2.73Å; R13-H16 PolarHBondContact O-CE1 2.77Å; R13-H16 PolarHBondContact O-ND1 2.7Å; R13-V60 HydrophobicContact CG-CG1 4.41Å; R13-D61 IonicContact CZ-OD1 2.92Å; R13-D61 VanDerWaalsContact CZ-OD1 3.25Å; R13-D61 IonicContact NH1-OD1 2.94Å; R13-D61 PolarHBondContact NH1-OD1 2.87Å; R13-D61 IonicContact NH2-OD1 3.34Å; R13-D61 PolarHBondContact NH2-OD1 2.74Å; R13-V64 HydrophobicContact CB-CG2 3.6Å; R13-V64 HydrophobicContact CG-CG2 4.3Å |
| 14 | L | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 10.1 | -178.9 | -65.3 | 167.5 | 0 | 0 | 0 | 112.3 | L10 K11 E12 H16 L17 F21 I32 V64 V67 | L10-L14 HydrophobicContact CB-CD1 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CD1 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.35Å; K11-L14 PolarHBondContact O-N 2.96Å; E12-L14 PolarHBondContact O-N 3.04Å; L14-H16 PolarHBondContact O-N 2.91Å; L14-H16 VanDerWaalsContact O-N 3.15Å; L14-L17 HydrophobicContact CB-CD1 4.43Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å; L14-L17 PolarHBondContact O-N 2.65Å; L14-L17 VanDerWaalsContact O-N 3.12Å; L14-F21 HydrophobicContact CB-CE1 4.2Å; L14-F21 HydrophobicContact CB-CZ 3.9Å; L14-F21 HydrophobicContact CD1-CE1 4.2Å; L14-I32 HydrophobicContact CD1-CG1 4.29Å; L14-V64 HydrophobicContact CD2-CB 4.44Å; L14-V64 HydrophobicContact CD2-CG1 3.95Å; L14-V67 HydrophobicContact CD1-CB 4.08Å; L14-V67 HydrophobicContact CD1-CG1 3.69Å; L14-V67 HydrophobicContact CD1-CG2 4.18Å; L14-V67 HydrophobicContact CD2-CB 3.88Å; L14-V67 HydrophobicContact CD2-CG1 3.79Å; L14-V67 HydrophobicContact CG-CG1 4.39Å |
| 15 | S | 93.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.6 | -177.3 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | K11 E12 L17 | K11-S15 PolarHBondContact O-N 3.05Å; K11-S15 VanDerWaalsContact O-N 3.15Å; E12-S15 WeakPolarHBondContact O-CB 3.39Å; E12-S15 PolarHBondContact O-N 2.94Å; E12-S15 PolarHBondContact O-OG 3.4Å; E12-S15 VanDerWaalsContact O-OG 3.09Å; S15-L17 VanDerWaalsContact C-N 3.3Å |
| 16 | H | 92.6 | Very high | 94.6 | Very high | 117 Ų | 117 | 75.8 Ų | 75.8 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.4 | 174 | 62.1 | -81.7 | 0 | 0 | 0 | 113.3 | R13 L14 D68 | R13-H16 PolarHBondContact O-CE1 2.77Å; R13-H16 PolarHBondContact O-ND1 2.7Å; L14-H16 PolarHBondContact O-N 2.91Å; L14-H16 VanDerWaalsContact O-N 3.15Å; H16-D68 IonicContact CD2-OD1 3.85Å; H16-D68 IonicContact CE1-OD1 2.9Å; H16-D68 PolarHBondContact CE1-OD1 3.32Å; H16-D68 IonicContact CE1-OD2 3.94Å; H16-D68 IonicContact NE2-OD1 3.44Å; H16-D68 PolarHBondContact NE2-OD1 2.92Å; H16-D68 IonicContact NE2-OD2 3.09Å |
| 17 | L | 91.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 81.8 Ų | 81.8 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -92.5 | 145.5 | 177.2 | -62.6 | 177.7 | 0 | 0 | 0 | 111.4 | L14 S15 V19 V67 D68 I71 | L14-L17 HydrophobicContact CB-CD1 4.43Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å; L14-L17 PolarHBondContact O-N 2.65Å; L14-L17 VanDerWaalsContact O-N 3.12Å; S15-L17 VanDerWaalsContact C-N 3.3Å; L17-V19 HydrophobicContact CB-CB 4.43Å; L17-V19 HydrophobicContact CB-CG1 3.93Å; L17-V19 HydrophobicContact CB-CG2 3.78Å; L17-V19 HydrophobicContact CD1-CG1 4.48Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-V67 HydrophobicContact CD1-CG1 4.37Å; L17-D68 VanDerWaalsContact CD1-OD1 3.32Å; L17-D68 WeakPolarHBondContact CD1-OD1 3.36Å; L17-D68 WeakPolarHBondContact CD2-OD1 3.25Å; L17-D68 WeakPolarHBondContact CG-OD1 3.45Å; L17-I71 HydrophobicContact CD1-CB 4.13Å; L17-I71 HydrophobicContact CD1-CG1 4.21Å; L17-I71 HydrophobicContact CD1-CG2 4.09Å; L17-I71 HydrophobicContact CD2-CG2 4.38Å |
| 18 | D | 91.7 | Very high | 94.2 | Very high | 126 Ų | 126 | 82.4 Ų | 82.4 | 67% | 0.674 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -76.8 | 69.2 | 170.2 | -67.5 | -40.4 | 0 | 0 | 0 | 111.1 | T35 | D18-T35 PolarHBondContact O-N 3.45Š|
| 19 | V | 94.3 | Very high | 94 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 9% | 0.085 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.5 | -175.6 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | L17 F21 I32 Y33 R34 I71 | L17-V19 HydrophobicContact CB-CB 4.43Å; L17-V19 HydrophobicContact CB-CG1 3.93Å; L17-V19 HydrophobicContact CB-CG2 3.78Å; L17-V19 HydrophobicContact CD1-CG1 4.48Å; L17-V19 PolarHBondContact O-N 2.95Å; V19-F21 HydrophobicContact CG2-CE1 4.21Å; V19-F21 HydrophobicContact CG2-CE2 3.91Å; V19-F21 HydrophobicContact CG2-CZ 3.63Å; V19-I32 HydrophobicContact CB-CG2 3.78Å; V19-I32 HydrophobicContact CG1-CG2 4Å; V19-I32 HydrophobicContact CG2-CG2 3.59Å; V19-Y33 CarbonylContact C-O 3.6Å; V19-Y33 WeakPolarHBondContact CA-O 3.41Å; V19-Y33 WeakPolarHBondContact CB-O 3.31Å; V19-R34 HydrophobicContact CG1-CG 4.48Å; V19-I71 HydrophobicContact CG1-CB 4.4Å; V19-I71 HydrophobicContact CG1-CD1 3.83Å; V19-I71 HydrophobicContact CG1-CG1 4.01Å; V19-I71 HydrophobicContact CG1-CG2 3.52Å |
| 20 | D | 95.6 | Very high | 94 | Very high | 80 Ų | 80 | 77.9 Ų | 77.9 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 158.6 | 165.1 | -85.5 | -23.2 | 0 | 0 | 0 | 111.2 | Y33 T35 | D20-Y33 HydrophobicContact CB-CD1 4.34Å; D20-Y33 HydrophobicContact CB-CD2 4.19Å; D20-Y33 HydrophobicContact CB-CE1 3.73Å; D20-Y33 HydrophobicContact CB-CE2 3.53Å; D20-Y33 WeakPolarHBondContact CB-OH 3.33Å; D20-Y33 PolarHBondContact N-O 3.28Å; D20-Y33 WeakPolarHBondContact O-CD1 3.46Å; D20-Y33 PolarHBondContact O-N 2.98Å; D20-T35 HydrophobicContact CB-CG2 4.38Å |
| 21 | F | 96.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 81.9 Ų | 81.9 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.7 | -177.3 | -59.9 | -87.9 | 0 | 0 | 0 | 112.2 | K11 L14 V19 L30 R31 I32 | K11-F21 HydrophobicContact CD-CB 4.34Å; K11-F21 HydrophobicContact CD-CG 4.3Å; K11-F21 VanDerWaalsContact CE-CB 3.46Å; K11-F21 HydrophobicContact CG-CB 4.33Å; K11-F21 HydrophobicContact CG-CD1 3.82Å; K11-F21 HydrophobicContact CG-CD2 4.12Å; K11-F21 HydrophobicContact CG-CE1 4.1Å; K11-F21 HydrophobicContact CG-CE2 4.38Å; K11-F21 HydrophobicContact CG-CG 3.83Å; K11-F21 HydrophobicContact CG-CZ 4.37Å; L14-F21 HydrophobicContact CB-CE1 4.2Å; L14-F21 HydrophobicContact CB-CZ 3.9Å; L14-F21 HydrophobicContact CD1-CE1 4.2Å; V19-F21 HydrophobicContact CG2-CE1 4.21Å; V19-F21 HydrophobicContact CG2-CE2 3.91Å; V19-F21 HydrophobicContact CG2-CZ 3.63Å; F21-L30 HydrophobicContact CB-CD1 4.08Å; F21-L30 HydrophobicContact CD1-CD1 4.25Å; F21-L30 HydrophobicContact CD1-CD2 4.21Å; F21-L30 HydrophobicContact CD1-CG 4.35Å; F21-R31 CarbonylContact C-O 3.56Å; F21-R31 WeakPolarHBondContact CA-O 3.38Å; F21-I32 HydrophobicContact CD1-CB 4.4Å; F21-I32 HydrophobicContact CD1-CG1 3.8Å; F21-I32 HydrophobicContact CD1-CG2 4.24Å; F21-I32 HydrophobicContact CE1-CB 4.36Å; F21-I32 HydrophobicContact CE1-CG1 3.75Å; F21-I32 HydrophobicContact CE1-CG2 3.84Å; F21-I32 HydrophobicContact CZ-CG2 4.49Å |
| 22 | K | 95.5 | Very high | 93.8 | Very high | 145 Ų | 145 | 78.6 Ų | 78.6 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.8 | 172.9 | -173.8 | 175.8 | -176.2 | 177.1 | 0 | 110.4 | R31 Y33 | K22-R31 HydrophobicContact CB-CB 4.32Å; K22-R31 PolarHBondContact N-O 3.11Å; K22-R31 PolarHBondContact O-N 3.04Å; K22-Y33 HydrophobicContact CB-CE1 3.99Å |
| 23 | F | 96 | Very high | 93.6 | Very high | 47 Ų | 47 | 74 Ų | 74 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.9 | 178 | 177 | -117.7 | 0 | 0 | 0 | 110.6 | T3 F4 R7 R25 T29 L30 L45 | T3-F23 HydrophobicContact CG2-CE2 4.16Å; T3-F23 HydrophobicContact CG2-CZ 4.1Å; F4-F23 HydrophobicContact CD1-CE1 4.39Å; F4-F23 AromaticContact CE1-CE1 3.99Å; F4-F23 HydrophobicContact CE1-CE1 3.99Å; F4-F23 HydrophobicContact CE1-CZ 4.45Å; R7-F23 HydrophobicContact CG-CD2 4.25Å; R7-F23 HydrophobicContact CG-CG 4.42Å; F23-R25 HydrophobicContact CD1-CB 4.46Å; F23-R25 HydrophobicContact CE1-CB 3.84Å; F23-R25 HydrophobicContact CE1-CG 4.26Å; F23-R25 HydrophobicContact CZ-CB 4.4Å; F23-T29 CarbonylContact C-O 3.51Å; F23-T29 WeakPolarHBondContact CA-O 3.4Å; F23-T29 WeakPolarHBondContact CD2-O 3.18Å; F23-L30 HydrophobicContact CB-CD1 4.22Å; F23-L45 HydrophobicContact CD2-CD1 3.97Å; F23-L45 HydrophobicContact CE2-CD1 3.61Å |
| 24 | N | 93.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.3 | 167.8 | -172.7 | -21.7 | 0 | 0 | 0 | 108.8 | E26 E27 E28 T29 | N24-E26 PolarHBondContact OD1-N 3.19Å; N24-E27 HydrophobicContact CB-CB 4.34Å; N24-E27 WeakPolarHBondContact ND2-CG 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.47Å; N24-E27 PolarHBondContact OD1-N 3.5Å; N24-E28 VanDerWaalsContact O-CA 3.31Å; N24-E28 WeakPolarHBondContact O-CA 3.46Å; N24-E28 PolarHBondContact O-N 3.5Å; N24-T29 WeakPolarHBondContact CB-OG1 3.35Å; N24-T29 PolarHBondContact N-O 3.46Å; N24-T29 PolarHBondContact O-N 2.96Å; N24-T29 VanDerWaalsContact O-N 3.1Å |
| 25 | R | 91.7 | Very high | 93 | Very high | 190 Ų | 190 | 75.2 Ų | 75.2 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -35.9 | -178.8 | -176.2 | 178.9 | 177.3 | 178.6 | -0.3 | 112.7 | F23 | F23-R25 HydrophobicContact CD1-CB 4.46Å; F23-R25 HydrophobicContact CE1-CB 3.84Å; F23-R25 HydrophobicContact CE1-CG 4.26Å; F23-R25 HydrophobicContact CZ-CB 4.4Å |
| 26 | E | 89.9 | Confident | 92.7 | Very high | 187 Ų | 187 | 75.2 Ų | 75.2 | 87% | 0.874 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -42.1 | -176.4 | -65.1 | -178.8 | 173.8 | 0 | 0 | 111.2 | N24 | N24-E26 PolarHBondContact OD1-N 3.19Š|
| 27 | E | 90.6 | Very high | 92.2 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 58% | 0.584 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.7 | 179.6 | -61.4 | -179.4 | 158.6 | 0 | 0 | 113.6 | N24 T29 | N24-E27 HydrophobicContact CB-CB 4.34Å; N24-E27 WeakPolarHBondContact ND2-CG 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.47Å; N24-E27 PolarHBondContact OD1-N 3.5Å; E27-T29 VanDerWaalsContact C-N 3.26Å; E27-T29 HydrophobicContact CB-CG2 3.89Å; E27-T29 WeakPolarHBondContact O-CG2 3.35Å; E27-T29 PolarHBondContact O-N 3.38Å |
| 28 | E | 91.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 75 Ų | 75 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 44 | -172.9 | -59.2 | -167.3 | 115.6 | 0 | 0 | 113 | T3 N24 L45 N46 | T3-E28 WeakPolarHBondContact CB-OE1 3.47Å; T3-E28 HydrophobicContact CG2-CB 3.9Å; T3-E28 HydrophobicContact CG2-CG 4.05Å; T3-E28 PolarHBondContact OG1-OE1 2.97Å; N24-E28 VanDerWaalsContact O-CA 3.31Å; N24-E28 WeakPolarHBondContact O-CA 3.46Å; N24-E28 PolarHBondContact O-N 3.5Å; E28-L45 VanDerWaalsContact O-CB 3.32Å; E28-L45 WeakPolarHBondContact O-CB 3.41Å; E28-L45 PolarHBondContact O-N 3.1Å; E28-N46 WeakPolarHBondContact OE2-CB 3.3Å |
| 29 | T | 93.5 | Very high | 91.5 | Very high | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.5 | -179.8 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | F23 N24 E27 T42 I43 K44 | F23-T29 CarbonylContact C-O 3.51Å; F23-T29 WeakPolarHBondContact CA-O 3.4Å; F23-T29 WeakPolarHBondContact CD2-O 3.18Å; N24-T29 WeakPolarHBondContact CB-OG1 3.35Å; N24-T29 PolarHBondContact N-O 3.46Å; N24-T29 PolarHBondContact O-N 2.96Å; N24-T29 VanDerWaalsContact O-N 3.1Å; E27-T29 VanDerWaalsContact C-N 3.26Å; E27-T29 HydrophobicContact CB-CG2 3.89Å; E27-T29 WeakPolarHBondContact O-CG2 3.35Å; E27-T29 PolarHBondContact O-N 3.38Å; T29-T42 HydrophobicContact CG2-CG2 4.28Å; T29-I43 CarbonylContact C-O 3.59Å; T29-I43 VanDerWaalsContact CA-O 3.23Å; T29-I43 WeakPolarHBondContact CA-O 3.35Å; T29-I43 WeakPolarHBondContact CB-O 3.41Å; T29-K44 HydrophobicContact CG2-CG 4.01Å |
| 30 | L | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.1 | 169.4 | -176.6 | 62.3 | 0 | 0 | 0 | 108.1 | R7 L10 K11 F21 F23 I32 T42 I43 L45 | R7-L30 HydrophobicContact CG-CD1 4.13Å; R7-L30 HydrophobicContact CG-CD2 4.33Å; L10-L30 HydrophobicContact CB-CD2 4.26Å; K11-L30 HydrophobicContact CG-CD2 4.46Å; F21-L30 HydrophobicContact CB-CD1 4.08Å; F21-L30 HydrophobicContact CD1-CD1 4.25Å; F21-L30 HydrophobicContact CD1-CD2 4.21Å; F21-L30 HydrophobicContact CD1-CG 4.35Å; F23-L30 HydrophobicContact CB-CD1 4.22Å; L30-I32 HydrophobicContact CD2-CD1 4.32Å; L30-I32 HydrophobicContact CD2-CG1 4.46Å; L30-I32 HydrophobicContact CG-CD1 4.09Å; L30-I32 HydrophobicContact CG-CG1 4.34Å; L30-T42 WeakPolarHBondContact O-CA 3.32Å; L30-I43 HydrophobicContact CB-CD1 4.27Å; L30-I43 HydrophobicContact CB-CG1 3.89Å; L30-I43 HydrophobicContact CD2-CD1 4.39Å; L30-I43 PolarHBondContact N-O 3.02Å; L30-I43 WeakPolarHBondContact O-CG1 3.43Å; L30-I43 PolarHBondContact O-N 3.35Å; L30-L45 HydrophobicContact CB-CD1 4.2Å; L30-L45 HydrophobicContact CB-CD2 3.87Å; L30-L45 HydrophobicContact CB-CG 4.13Å |
| 31 | R | 94.1 | Very high | 90.8 | Very high | 83 Ų | 83 | 70 Ų | 70 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 168 | -176.5 | 156 | -179 | 78.1 | 6.7 | 109 | F21 K22 Y33 G40 I41 T42 | F21-R31 CarbonylContact C-O 3.56Å; F21-R31 WeakPolarHBondContact CA-O 3.38Å; K22-R31 HydrophobicContact CB-CB 4.32Å; K22-R31 PolarHBondContact N-O 3.11Å; K22-R31 PolarHBondContact O-N 3.04Å; R31-Y33 HydrophobicContact CG-CD1 4.04Å; R31-G40 PolarHBondContact NH1-O 3.07Å; R31-G40 PolarHBondContact NH2-O 2.76Å; R31-I41 WeakPolarHBondContact CA-O 3.24Å; R31-T42 HydrophobicContact CB-CG2 4.42Å; R31-T42 WeakPolarHBondContact CD-OG1 3.45Å; R31-T42 WeakPolarHBondContact CG-OG1 3.35Å; R31-T42 PolarHBondContact NH1-OG1 3.34Å |
| 32 | I | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.8 | 173.7 | -52.2 | 88.8 | 0 | 0 | 0 | 105.8 | L14 V19 F21 L30 G40 I41 I43 V67 I71 | L14-I32 HydrophobicContact CD1-CG1 4.29Å; V19-I32 HydrophobicContact CB-CG2 3.78Å; V19-I32 HydrophobicContact CG1-CG2 4Å; V19-I32 HydrophobicContact CG2-CG2 3.59Å; F21-I32 HydrophobicContact CD1-CB 4.4Å; F21-I32 HydrophobicContact CD1-CG1 3.8Å; F21-I32 HydrophobicContact CD1-CG2 4.24Å; F21-I32 HydrophobicContact CE1-CB 4.36Å; F21-I32 HydrophobicContact CE1-CG1 3.75Å; F21-I32 HydrophobicContact CE1-CG2 3.84Å; F21-I32 HydrophobicContact CZ-CG2 4.49Å; L30-I32 HydrophobicContact CD2-CD1 4.32Å; L30-I32 HydrophobicContact CD2-CG1 4.46Å; L30-I32 HydrophobicContact CG-CD1 4.09Å; L30-I32 HydrophobicContact CG-CG1 4.34Å; I32-G40 CarbonylContact O-C 3.58Å; I32-G40 WeakPolarHBondContact O-CA 3.24Å; I32-I41 HydrophobicContact CD1-CG1 4.45Å; I32-I41 PolarHBondContact N-O 3.23Å; I32-I41 PolarHBondContact O-N 2.93Å; I32-I43 HydrophobicContact CD1-CD1 3.82Å; I32-I43 HydrophobicContact CD1-CG1 3.83Å; I32-I43 HydrophobicContact CD1-CG2 4.48Å; I32-V67 HydrophobicContact CB-CG1 4.16Å; I32-V67 HydrophobicContact CD1-CG1 4.43Å; I32-V67 HydrophobicContact CD1-CG2 4.39Å; I32-V67 HydrophobicContact CG1-CG1 4.18Å; I32-V67 HydrophobicContact CG2-CG1 3.95Å; I32-I71 HydrophobicContact CG2-CD1 4.05Å; I32-I71 HydrophobicContact CG2-CG1 4.19Å |
| 33 | Y | 91.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.9 | -175.9 | 62.6 | -82.1 | 0 | 0 | 0 | 111.2 | V19 D20 K22 R31 K39 | V19-Y33 CarbonylContact C-O 3.6Å; V19-Y33 WeakPolarHBondContact CA-O 3.41Å; V19-Y33 WeakPolarHBondContact CB-O 3.31Å; D20-Y33 HydrophobicContact CB-CD1 4.34Å; D20-Y33 HydrophobicContact CB-CD2 4.19Å; D20-Y33 HydrophobicContact CB-CE1 3.73Å; D20-Y33 HydrophobicContact CB-CE2 3.53Å; D20-Y33 WeakPolarHBondContact CB-OH 3.33Å; D20-Y33 PolarHBondContact N-O 3.28Å; D20-Y33 WeakPolarHBondContact O-CD1 3.46Å; D20-Y33 PolarHBondContact O-N 2.98Å; K22-Y33 HydrophobicContact CB-CE1 3.99Å; R31-Y33 HydrophobicContact CG-CD1 4.04Å; Y33-K39 CarbonylContact C-O 3.57Å; Y33-K39 WeakPolarHBondContact CA-O 3.48Å |
| 34 | R | 90.5 | Very high | 90.2 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 145 | 179.6 | -57.9 | 176.5 | 61.8 | 80 | 6.5 | 110.9 | V19 D36 N38 K39 I71 M74 A75 | V19-R34 HydrophobicContact CG1-CG 4.48Å; R34-D36 VanDerWaalsContact C-N 3.34Å; R34-D36 WeakPolarHBondContact CB-OD1 3.33Å; R34-D36 IonicContact CZ-OD1 3.72Å; R34-D36 IonicContact CZ-OD2 2.71Å; R34-D36 IonicContact NE-OD1 3.38Å; R34-D36 PolarHBondContact NE-OD1 3.33Å; R34-D36 IonicContact NE-OD2 2.73Å; R34-D36 PolarHBondContact NE-OD2 3.08Å; R34-D36 IonicContact NH2-OD1 2.88Å; R34-D36 IonicContact NH2-OD2 3.19Å; R34-D36 PolarHBondContact NH2-OD2 3.12Å; R34-N38 VanDerWaalsContact O-CA 3.28Å; R34-N38 WeakPolarHBondContact O-CA 3.45Å; R34-N38 PolarHBondContact O-N 3.47Å; R34-N38 VanDerWaalsContact O-N 3.11Å; R34-K39 PolarHBondContact N-O 3.27Å; R34-I71 WeakPolarHBondContact CD-O 3.38Å; R34-I71 HydrophobicContact CG-CD1 4.25Å; R34-I71 HydrophobicContact CG-CG2 3.93Å; R34-I71 PolarHBondContact NH1-O 2.78Å; R34-M74 WeakPolarHBondContact CD-O 3.45Å; R34-M74 HydrophobicContact CG-CB 4.47Å; R34-A75 VanDerWaalsContact CZ-CA 3.42Å; R34-A75 VanDerWaalsContact CZ-CB 3.41Å |
| 35 | T | 89.2 | Confident | 90.2 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22.1 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | D18 D20 | D18-T35 PolarHBondContact O-N 3.45Å; D20-T35 HydrophobicContact CB-CG2 4.38Å |
| 36 | D | 86.1 | Confident | 90.2 | Very high | 94 Ų | 94 | 61 Ų | 61 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -40.4 | -177.1 | 61.1 | -7.3 | 0 | 0 | 0 | 113.8 | R34 | R34-D36 VanDerWaalsContact C-N 3.34Å; R34-D36 WeakPolarHBondContact CB-OD1 3.33Å; R34-D36 IonicContact CZ-OD1 3.72Å; R34-D36 IonicContact CZ-OD2 2.71Å; R34-D36 IonicContact NE-OD1 3.38Å; R34-D36 PolarHBondContact NE-OD1 3.33Å; R34-D36 IonicContact NE-OD2 2.73Å; R34-D36 PolarHBondContact NE-OD2 3.08Å; R34-D36 IonicContact NH2-OD1 2.88Å; R34-D36 IonicContact NH2-OD2 3.19Å; R34-D36 PolarHBondContact NH2-OD2 3.12Å |
| 37 | N | 83.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 6.5 | -173.8 | 68.1 | 15.6 | 0 | 0 | 0 | 114.9 | K39 M74 D76 | N37-K39 PolarHBondContact O-N 2.83Å; N37-K39 VanDerWaalsContact OD1-CB 3.25Å; N37-K39 WeakPolarHBondContact OD1-CB 3.4Å; N37-K39 PolarHBondContact OD1-N 2.98Å; N37-M74 PolarHBondContact ND2-O 2.82Å; N37-D76 PolarHBondContact ND2-OD2 3.21Å |
| 38 | N | 84.2 | Confident | 90.1 | Very high | 111 Ų | 111 | 48.7 Ų | 48.7 | 59% | 0.594 | 25% | 0.25 | S | C | * | . | trans | 58.5 | 7 | -179.2 | -63.6 | -57.5 | 0 | 0 | 0 | 115.5 | R34 | R34-N38 VanDerWaalsContact O-CA 3.28Å; R34-N38 WeakPolarHBondContact O-CA 3.45Å; R34-N38 PolarHBondContact O-N 3.47Å; R34-N38 VanDerWaalsContact O-N 3.11Å | ||
| 39 | K | 83.3 | Confident | 90.2 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | trans | -72.8 | 140.4 | 172.8 | -62.6 | 179.1 | -174.3 | 168 | 0 | 108.4 | Y33 R34 N37 M74 D76 | Y33-K39 CarbonylContact C-O 3.57Å; Y33-K39 WeakPolarHBondContact CA-O 3.48Å; R34-K39 PolarHBondContact N-O 3.27Å; N37-K39 PolarHBondContact O-N 2.83Å; N37-K39 VanDerWaalsContact OD1-CB 3.25Å; N37-K39 WeakPolarHBondContact OD1-CB 3.4Å; N37-K39 PolarHBondContact OD1-N 2.98Å; K39-M74 VanDerWaalsContact C-SD 3.58Å; K39-M74 HydrophobicContact CB-CB 3.88Å; K39-M74 HydrophobicContact CB-CG 4.04Å; K39-M74 HydrophobicContact CB-SD 4.04Å; K39-D76 IonicContact NZ-OD1 3.05Å; K39-D76 PolarHBondContact NZ-OD1 3.14Å; K39-D76 IonicContact NZ-OD2 2.63Å | ||
| 40 | G | 87 | Confident | 90.1 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 169 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R31 I32 M74 | R31-G40 PolarHBondContact NH1-O 3.07Å; R31-G40 PolarHBondContact NH2-O 2.76Å; I32-G40 CarbonylContact O-C 3.58Å; I32-G40 WeakPolarHBondContact O-CA 3.24Å; G40-M74 VanDerWaalsContact C-SD 3.57Å; G40-M74 WeakPolarHBondContact CA-SD 3.32Å; G40-M74 PolarHBondContact N-SD 3.21Å |
| 41 | I | 88.6 | Confident | 89.8 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 157.8 | 175.9 | 59 | 164.7 | 0 | 0 | 0 | 111.3 | R31 I32 I43 Y66 V67 A70 M74 | R31-I41 WeakPolarHBondContact CA-O 3.24Å; I32-I41 HydrophobicContact CD1-CG1 4.45Å; I32-I41 PolarHBondContact N-O 3.23Å; I32-I41 PolarHBondContact O-N 2.93Å; I41-I43 HydrophobicContact CD1-CG2 4.27Å; I41-Y66 HydrophobicContact CD1-CD1 3.95Å; I41-Y66 HydrophobicContact CD1-CE1 3.79Å; I41-V67 HydrophobicContact CD1-CB 3.96Å; I41-V67 HydrophobicContact CD1-CG1 4.03Å; I41-V67 HydrophobicContact CD1-CG2 3.61Å; I41-V67 HydrophobicContact CG1-CG1 4.49Å; I41-A70 HydrophobicContact CD1-CB 4.09Å; I41-A70 HydrophobicContact CG2-CB 3.74Å; I41-M74 HydrophobicContact CG2-CE 3.49Å; I41-M74 VanDerWaalsContact CG2-CE 3.49Å; I41-M74 HydrophobicContact CG2-SD 4.35Å |
| 42 | T | 92.3 | Very high | 89.7 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.5 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 109 | T29 L30 R31 | T29-T42 HydrophobicContact CG2-CG2 4.28Å; L30-T42 WeakPolarHBondContact O-CA 3.32Å; R31-T42 HydrophobicContact CB-CG2 4.42Å; R31-T42 WeakPolarHBondContact CD-OG1 3.45Å; R31-T42 WeakPolarHBondContact CG-OG1 3.35Å; R31-T42 PolarHBondContact NH1-OG1 3.34Å |
| 43 | I | 91.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.4 | -179.3 | 59.1 | 173.3 | 0 | 0 | 0 | 110 | L10 T29 L30 I32 I41 L45 I48 I63 | L10-I43 HydrophobicContact CD1-CD1 3.47Å; L10-I43 VanDerWaalsContact CD1-CD1 3.47Å; T29-I43 CarbonylContact C-O 3.59Å; T29-I43 VanDerWaalsContact CA-O 3.23Å; T29-I43 WeakPolarHBondContact CA-O 3.35Å; T29-I43 WeakPolarHBondContact CB-O 3.41Å; L30-I43 HydrophobicContact CB-CD1 4.27Å; L30-I43 HydrophobicContact CB-CG1 3.89Å; L30-I43 HydrophobicContact CD2-CD1 4.39Å; L30-I43 PolarHBondContact N-O 3.02Å; L30-I43 WeakPolarHBondContact O-CG1 3.43Å; L30-I43 PolarHBondContact O-N 3.35Å; I32-I43 HydrophobicContact CD1-CD1 3.82Å; I32-I43 HydrophobicContact CD1-CG1 3.83Å; I32-I43 HydrophobicContact CD1-CG2 4.48Å; I41-I43 HydrophobicContact CD1-CG2 4.27Å; I43-L45 HydrophobicContact CD1-CD2 3.93Å; I43-L45 HydrophobicContact CG1-CD2 4.12Å; I43-I48 HydrophobicContact CB-CD1 4.32Å; I43-I48 HydrophobicContact CD1-CD1 3.94Å; I43-I48 HydrophobicContact CG1-CD1 4.48Å; I43-I63 HydrophobicContact CD1-CG2 4.08Å |
| 44 | K | 91.5 | Very high | 89.2 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 61% | 0.609 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111.1 | 172.4 | -66.6 | -170 | 174.3 | -173.8 | 0 | 109 | T29 A47 | T29-K44 HydrophobicContact CG2-CG 4.01Å; K44-A47 HydrophobicContact CB-CB 4.41Å |
| 45 | L | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.5 | -35.1 | -173.2 | -63.7 | -176.6 | 0 | 0 | 0 | 112.2 | T3 M6 R7 L10 F23 E28 L30 I43 A47 I48 V49 | T3-L45 HydrophobicContact CG2-CB 3.88Å; T3-L45 HydrophobicContact CG2-CD1 3.83Å; M6-L45 HydrophobicContact CG-CD2 4.3Å; R7-L45 HydrophobicContact CB-CD1 3.68Å; R7-L45 HydrophobicContact CG-CD1 4.34Å; L10-L45 HydrophobicContact CD1-CD2 3.8Å; F23-L45 HydrophobicContact CD2-CD1 3.97Å; F23-L45 HydrophobicContact CE2-CD1 3.61Å; E28-L45 VanDerWaalsContact O-CB 3.32Å; E28-L45 WeakPolarHBondContact O-CB 3.41Å; E28-L45 PolarHBondContact O-N 3.1Å; L30-L45 HydrophobicContact CB-CD1 4.2Å; L30-L45 HydrophobicContact CB-CD2 3.87Å; L30-L45 HydrophobicContact CB-CG 4.13Å; I43-L45 HydrophobicContact CD1-CD2 3.93Å; I43-L45 HydrophobicContact CG1-CD2 4.12Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 2.9Å; L45-I48 HydrophobicContact CD2-CD1 4.36Å; L45-I48 WeakPolarHBondContact O-CB 3.28Å; L45-I48 PolarHBondContact O-N 3.15Å; L45-V49 WeakPolarHBondContact O-CG2 3.29Å; L45-V49 PolarHBondContact O-N 3Å |
| 46 | N | 91.5 | Very high | 89.3 | Confident | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 178.2 | 61.9 | -9.3 | 0 | 0 | 0 | 113.1 | E28 I48 V49 A50 | E28-N46 WeakPolarHBondContact OE2-CB 3.3Å; N46-I48 VanDerWaalsContact C-N 3.29Å; N46-I48 PolarHBondContact O-N 3.38Å; N46-V49 PolarHBondContact O-N 3.33Å; N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.23Å |
| 47 | A | 88.5 | Confident | 89.6 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -33.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K44 L45 K51 | K44-A47 HydrophobicContact CB-CB 4.41Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 2.9Å; A47-K51 WeakPolarHBondContact O-CG 3.23Å; A47-K51 PolarHBondContact O-N 3.49Å |
| 48 | I | 91.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.4 | -44 | 176.8 | -55.8 | 169.6 | 0 | 0 | 0 | 109.6 | M6 L10 I43 L45 N46 A50 K51 Y52 I59 I63 | M6-I48 HydrophobicContact CE-CG2 3.69Å; M6-I48 HydrophobicContact CG-CB 4.45Å; M6-I48 HydrophobicContact CG-CG2 4.18Å; M6-I48 HydrophobicContact SD-CG2 3.69Å; L10-I48 HydrophobicContact CD1-CD1 4.1Å; I43-I48 HydrophobicContact CB-CD1 4.32Å; I43-I48 HydrophobicContact CD1-CD1 3.94Å; I43-I48 HydrophobicContact CG1-CD1 4.48Å; L45-I48 HydrophobicContact CD2-CD1 4.36Å; L45-I48 WeakPolarHBondContact O-CB 3.28Å; L45-I48 PolarHBondContact O-N 3.15Å; N46-I48 VanDerWaalsContact C-N 3.29Å; N46-I48 PolarHBondContact O-N 3.38Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 2.9Å; I48-K51 PolarHBondContact O-N 2.89Å; I48-K51 VanDerWaalsContact O-N 3.17Å; I48-Y52 PolarHBondContact O-N 2.85Å; I48-I59 HydrophobicContact CG2-CG1 4.02Å; I48-I63 HydrophobicContact CD1-CB 4.49Å; I48-I63 HydrophobicContact CD1-CD1 4.01Å; I48-I63 HydrophobicContact CD1-CG1 3.87Å; I48-I63 HydrophobicContact CD1-CG2 3.96Å; I48-I63 HydrophobicContact CG1-CD1 4.08Å; I48-I63 HydrophobicContact CG1-CG1 4.03Å; I48-I63 HydrophobicContact CG2-CG1 4.2Å |
| 49 | V | 93 | Very high | 90.1 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | M1 M6 L45 N46 K51 Y52 | M1-V49 WeakPolarHBondContact O-CG1 3.2Å; M6-V49 HydrophobicContact CB-CG2 3.79Å; M6-V49 HydrophobicContact CE-CG2 4.46Å; M6-V49 HydrophobicContact CG-CG2 4.15Å; L45-V49 WeakPolarHBondContact O-CG2 3.29Å; L45-V49 PolarHBondContact O-N 3Å; N46-V49 PolarHBondContact O-N 3.33Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.07Å; V49-Y52 WeakPolarHBondContact O-CB 3.43Å; V49-Y52 PolarHBondContact O-N 3.37Å; V49-Y52 VanDerWaalsContact O-N 3.07Å |
| 50 | A | 91.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.2 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N46 I48 | N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.23Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 2.9Å |
| 51 | K | 89.6 | Confident | 90.6 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.9 | -20 | 177.1 | -69.3 | 178.9 | -177.4 | -175.9 | 0 | 113.3 | A47 I48 V49 E53 D54 K55 I59 | A47-K51 WeakPolarHBondContact O-CG 3.23Å; A47-K51 PolarHBondContact O-N 3.49Å; I48-K51 PolarHBondContact O-N 2.89Å; I48-K51 VanDerWaalsContact O-N 3.17Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.07Å; K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.22Å; K51-D54 PolarHBondContact O-N 3.42Å; K51-K55 WeakPolarHBondContact O-CB 3.36Å; K51-K55 PolarHBondContact O-N 2.76Å; K51-I59 HydrophobicContact CB-CD1 4.31Å; K51-I59 HydrophobicContact CB-CG1 3.97Å; K51-I59 HydrophobicContact CD-CD1 4.04Å |
| 52 | Y | 92.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 69.7 Ų | 69.7 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.9 | -27.2 | -177.5 | -169.1 | -91.6 | 0 | 0 | 0 | 112.7 | M1 M6 K9 I48 V49 D54 K56 E57 I59 V60 | M1-Y52 HydrophobicContact CB-CD1 3.53Å; M1-Y52 HydrophobicContact CB-CE1 3.78Å; M1-Y52 HydrophobicContact CB-CG 4.21Å; M1-Y52 HydrophobicContact CE-CE1 3.97Å; M1-Y52 HydrophobicContact CE-CE2 4.18Å; M1-Y52 HydrophobicContact CG-CD1 3.88Å; M1-Y52 HydrophobicContact CG-CE1 4.14Å; M1-Y52 HydrophobicContact CG-CG 4.1Å; M6-Y52 HydrophobicContact CE-CD2 3.61Å; M6-Y52 HydrophobicContact CE-CE2 4.29Å; M6-Y52 HydrophobicContact CE-CG 3.97Å; K9-Y52 PolarHBondContact NZ-OH 2.86Å; I48-Y52 PolarHBondContact O-N 2.85Å; V49-Y52 WeakPolarHBondContact O-CB 3.43Å; V49-Y52 PolarHBondContact O-N 3.37Å; V49-Y52 VanDerWaalsContact O-N 3.07Å; Y52-D54 VanDerWaalsContact C-N 3.28Å; Y52-D54 PolarHBondContact O-N 2.94Å; Y52-K56 WeakPolarHBondContact CD2-O 3.38Å; Y52-K56 VanDerWaalsContact CE2-C 3.43Å; Y52-K56 WeakPolarHBondContact CE2-O 3.47Å; Y52-K56 WeakPolarHBondContact O-CA 3.48Å; Y52-K56 PolarHBondContact O-N 3.37Å; Y52-E57 PolarHBondContact OH-OE1 3.17Å; Y52-E57 VanDerWaalsContact OH-OE1 3.1Å; Y52-I59 HydrophobicContact CD2-CG2 3.76Å; Y52-I59 HydrophobicContact CG-CG2 4.38Å; Y52-V60 HydrophobicContact CD2-CG2 3.81Å; Y52-V60 HydrophobicContact CE2-CG2 3.56Å |
| 53 | E | 87.1 | Confident | 90.4 | Very high | 152 Ų | 152 | 67.8 Ų | 67.8 | 71% | 0.71 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.6 | -42.8 | 178.3 | -67.7 | -168.6 | 161.2 | 0 | 0 | 112 | K51 K56 | K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.22Å; E53-K56 WeakPolarHBondContact O-CE 3.31Å; E53-K56 PolarHBondContact O-NZ 2.78Å |
| 54 | D | 88.5 | Confident | 90.3 | Very high | 145 Ų | 145 | 67.5 Ų | 67.5 | 78% | 0.775 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -88.5 | -51.6 | -180 | -173.9 | 34.4 | 0 | 0 | 0 | 111.9 | K51 Y52 | K51-D54 PolarHBondContact O-N 3.42Å; Y52-D54 VanDerWaalsContact C-N 3.28Å; Y52-D54 PolarHBondContact O-N 2.94Å |
| 55 | K | 87.8 | Confident | 89.8 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -83.7 | -13.8 | -172.5 | -70.4 | -169.8 | 169.4 | -157.2 | 0 | 115.5 | K51 E57 K58 I59 E62 | K51-K55 WeakPolarHBondContact O-CB 3.36Å; K51-K55 PolarHBondContact O-N 2.76Å; K55-E57 PolarHBondContact O-N 2.97Å; K55-K58 VanDerWaalsContact O-CB 3.25Å; K55-K58 WeakPolarHBondContact O-CB 3.46Å; K55-K58 PolarHBondContact O-N 2.85Å; K55-K58 VanDerWaalsContact O-N 3.09Å; K55-I59 HydrophobicContact CB-CB 3.83Å; K55-I59 HydrophobicContact CB-CG2 4.07Å; K55-I59 HydrophobicContact CD-CB 4.02Å; K55-I59 HydrophobicContact CD-CD1 4.23Å; K55-E62 VanDerWaalsContact NZ-CD 3.29Å; K55-E62 IonicContact NZ-OE1 2.67Å; K55-E62 PolarHBondContact NZ-OE1 3.42Å; K55-E62 IonicContact NZ-OE2 3.5Å; K55-E62 PolarHBondContact NZ-OE2 3.43Å |
| 56 | K | 92.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | -132.3 | -177.3 | -53.9 | -60.4 | -174.3 | -153.3 | 0 | 112.3 | Y52 E53 K58 I59 | Y52-K56 WeakPolarHBondContact CD2-O 3.38Å; Y52-K56 VanDerWaalsContact CE2-C 3.43Å; Y52-K56 WeakPolarHBondContact CE2-O 3.47Å; Y52-K56 WeakPolarHBondContact O-CA 3.48Å; Y52-K56 PolarHBondContact O-N 3.37Å; E53-K56 WeakPolarHBondContact O-CE 3.31Å; E53-K56 PolarHBondContact O-NZ 2.78Å; K56-K58 PolarHBondContact O-N 2.61Å; K56-I59 VanDerWaalsContact O-CG2 3.22Å; K56-I59 WeakPolarHBondContact O-CG2 3.44Å; K56-I59 PolarHBondContact O-N 3.3Å |
| 57 | E | 93.4 | Very high | 89.2 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.3 | -29.6 | -179.7 | -66.3 | -56.5 | 149.9 | 0 | 0 | 113.8 | K9 Y52 K55 I59 V60 D61 | K9-E57 VanDerWaalsContact CE-OE2 3.24Å; K9-E57 WeakPolarHBondContact CE-OE2 3.26Å; K9-E57 IonicContact NZ-OE1 2.85Å; K9-E57 PolarHBondContact NZ-OE1 2.87Å; K9-E57 IonicContact NZ-OE2 2.74Å; K9-E57 PolarHBondContact NZ-OE2 3.43Å; Y52-E57 PolarHBondContact OH-OE1 3.17Å; Y52-E57 VanDerWaalsContact OH-OE1 3.1Å; K55-E57 PolarHBondContact O-N 2.97Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 2.8Å; E57-V60 WeakPolarHBondContact O-CA 3.48Å; E57-V60 WeakPolarHBondContact O-CB 3.34Å; E57-V60 PolarHBondContact O-N 3.13Å; E57-D61 PolarHBondContact O-N 3.17Å |
| 58 | K | 88.3 | Confident | 89.1 | Confident | 138 Ų | 138 | 68.8 Ų | 68.8 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.3 | -38.2 | -175.7 | -170.6 | 177.7 | 177.7 | 176.6 | 0 | 112.7 | K55 K56 V60 D61 E62 | K55-K58 VanDerWaalsContact O-CB 3.25Å; K55-K58 WeakPolarHBondContact O-CB 3.46Å; K55-K58 PolarHBondContact O-N 2.85Å; K55-K58 VanDerWaalsContact O-N 3.09Å; K56-K58 PolarHBondContact O-N 2.61Å; K58-V60 VanDerWaalsContact C-N 3.3Å; K58-D61 PolarHBondContact O-N 2.88Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.35Å |
| 59 | I | 89.7 | Confident | 88.4 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.8 | -31.2 | 175.8 | -173 | 62.6 | 0 | 0 | 0 | 111.6 | I48 K51 Y52 K55 K56 E57 E62 I63 | I48-I59 HydrophobicContact CG2-CG1 4.02Å; K51-I59 HydrophobicContact CB-CD1 4.31Å; K51-I59 HydrophobicContact CB-CG1 3.97Å; K51-I59 HydrophobicContact CD-CD1 4.04Å; Y52-I59 HydrophobicContact CD2-CG2 3.76Å; Y52-I59 HydrophobicContact CG-CG2 4.38Å; K55-I59 HydrophobicContact CB-CB 3.83Å; K55-I59 HydrophobicContact CB-CG2 4.07Å; K55-I59 HydrophobicContact CD-CB 4.02Å; K55-I59 HydrophobicContact CD-CD1 4.23Å; K56-I59 VanDerWaalsContact O-CG2 3.22Å; K56-I59 WeakPolarHBondContact O-CG2 3.44Å; K56-I59 PolarHBondContact O-N 3.3Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 2.8Å; I59-E62 HydrophobicContact CD1-CB 4.47Å; I59-E62 WeakPolarHBondContact CD1-OE2 3.42Å; I59-I63 HydrophobicContact CD1-CG1 4.4Å; I59-I63 HydrophobicContact CG1-CG1 4.46Å; I59-I63 VanDerWaalsContact O-CG1 3.22Å; I59-I63 WeakPolarHBondContact O-CG1 3.5Å; I59-I63 PolarHBondContact O-N 3.49Å |
| 60 | V | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | M6 K9 L10 R13 Y52 E57 K58 E62 I63 V64 | M6-V60 HydrophobicContact CE-CG2 4.13Å; M6-V60 HydrophobicContact SD-CG2 4.07Å; K9-V60 HydrophobicContact CD-CG1 4.32Å; K9-V60 HydrophobicContact CD-CG2 4.21Å; K9-V60 HydrophobicContact CG-CG1 4.43Å; L10-V60 HydrophobicContact CD2-CG1 4.03Å; R13-V60 HydrophobicContact CG-CG1 4.41Å; Y52-V60 HydrophobicContact CD2-CG2 3.81Å; Y52-V60 HydrophobicContact CE2-CG2 3.56Å; E57-V60 WeakPolarHBondContact O-CA 3.48Å; E57-V60 WeakPolarHBondContact O-CB 3.34Å; E57-V60 PolarHBondContact O-N 3.13Å; K58-V60 VanDerWaalsContact C-N 3.3Å; V60-E62 PolarHBondContact O-N 2.73Å; V60-I63 PolarHBondContact O-N 2.91Å; V60-V64 HydrophobicContact CG1-CG2 4.11Å; V60-V64 WeakPolarHBondContact O-CB 3.42Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.92Å |
| 61 | D | 88.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.3 | -61.5 | -29.2 | 0 | 0 | 0 | 112 | R13 E57 K58 I63 V64 Y65 | R13-D61 IonicContact CZ-OD1 2.92Å; R13-D61 VanDerWaalsContact CZ-OD1 3.25Å; R13-D61 IonicContact NH1-OD1 2.94Å; R13-D61 PolarHBondContact NH1-OD1 2.87Å; R13-D61 IonicContact NH2-OD1 3.34Å; R13-D61 PolarHBondContact NH2-OD1 2.74Å; E57-D61 PolarHBondContact O-N 3.17Å; K58-D61 PolarHBondContact O-N 2.88Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 2.79Å; D61-V64 PolarHBondContact O-N 2.74Å; D61-Y65 VanDerWaalsContact O-CB 3.22Å; D61-Y65 WeakPolarHBondContact O-CB 3.34Å; D61-Y65 PolarHBondContact O-N 3.14Å |
| 62 | E | 85.2 | Confident | 87 | Confident | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 174.3 | -76 | 171.2 | -160.3 | 0 | 0 | 111.5 | K55 K58 I59 V60 Y66 | K55-E62 VanDerWaalsContact NZ-CD 3.29Å; K55-E62 IonicContact NZ-OE1 2.67Å; K55-E62 PolarHBondContact NZ-OE1 3.42Å; K55-E62 IonicContact NZ-OE2 3.5Å; K55-E62 PolarHBondContact NZ-OE2 3.43Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.35Å; I59-E62 HydrophobicContact CD1-CB 4.47Å; I59-E62 WeakPolarHBondContact CD1-OE2 3.42Å; V60-E62 PolarHBondContact O-N 2.73Å; E62-Y66 WeakPolarHBondContact O-CB 3.28Å; E62-Y66 PolarHBondContact O-N 3.27Å |
| 63 | I | 89.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -43.1 | -179.6 | -65.6 | -65.8 | 0 | 0 | 0 | 111.7 | L10 I43 I48 I59 V60 D61 Y65 Y66 V67 | L10-I63 HydrophobicContact CD1-CG2 4.26Å; L10-I63 HydrophobicContact CD2-CB 4.39Å; L10-I63 HydrophobicContact CD2-CG2 3.89Å; I43-I63 HydrophobicContact CD1-CG2 4.08Å; I48-I63 HydrophobicContact CD1-CB 4.49Å; I48-I63 HydrophobicContact CD1-CD1 4.01Å; I48-I63 HydrophobicContact CD1-CG1 3.87Å; I48-I63 HydrophobicContact CD1-CG2 3.96Å; I48-I63 HydrophobicContact CG1-CD1 4.08Å; I48-I63 HydrophobicContact CG1-CG1 4.03Å; I48-I63 HydrophobicContact CG2-CG1 4.2Å; I59-I63 HydrophobicContact CD1-CG1 4.4Å; I59-I63 HydrophobicContact CG1-CG1 4.46Å; I59-I63 VanDerWaalsContact O-CG1 3.22Å; I59-I63 WeakPolarHBondContact O-CG1 3.5Å; I59-I63 PolarHBondContact O-N 3.49Å; V60-I63 PolarHBondContact O-N 2.91Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 2.79Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y66 PolarHBondContact O-N 2.8Å; I63-V67 HydrophobicContact CG2-CG2 4.08Å; I63-V67 WeakPolarHBondContact O-CG2 3.27Å; I63-V67 PolarHBondContact O-N 3.27Å |
| 64 | V | 90.9 | Very high | 85.4 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 177.7 | 169 | 0 | 0 | 0 | 0 | 109.7 | L10 R13 L14 V60 D61 Y66 V67 D68 | L10-V64 HydrophobicContact CD2-CG2 3.94Å; R13-V64 HydrophobicContact CB-CG2 3.6Å; R13-V64 HydrophobicContact CG-CG2 4.3Å; L14-V64 HydrophobicContact CD2-CB 4.44Å; L14-V64 HydrophobicContact CD2-CG1 3.95Å; V60-V64 HydrophobicContact CG1-CG2 4.11Å; V60-V64 WeakPolarHBondContact O-CB 3.42Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.92Å; D61-V64 PolarHBondContact O-N 2.74Å; V64-Y66 VanDerWaalsContact C-N 3.35Å; V64-Y66 PolarHBondContact O-N 3.27Å; V64-V67 PolarHBondContact O-N 2.73Å; V64-V67 VanDerWaalsContact O-N 3.16Å; V64-D68 WeakPolarHBondContact O-CB 3.17Å; V64-D68 PolarHBondContact O-N 2.93Å |
| 65 | Y | 81.4 | Confident | 84.5 | Confident | 114 Ų | 114 | 53 Ų | 53 | 45% | 0.447 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 174.5 | 177.1 | -89.9 | 0 | 0 | 0 | 112.1 | D61 I63 V67 D68 E69 K125 | D61-Y65 VanDerWaalsContact O-CB 3.22Å; D61-Y65 WeakPolarHBondContact O-CB 3.34Å; D61-Y65 PolarHBondContact O-N 3.14Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-V67 VanDerWaalsContact C-N 3.31Å; Y65-V67 PolarHBondContact O-N 2.88Å; Y65-D68 PolarHBondContact O-N 3.07Å; Y65-E69 HydrophobicContact CD1-CG 4.4Å; Y65-E69 HydrophobicContact CE1-CG 4.14Å; Y65-E69 VanDerWaalsContact O-CG 3.31Å; Y65-E69 WeakPolarHBondContact O-CG 3.5Å; Y65-E69 PolarHBondContact O-N 2.95Å; Y65-K125 HydrophobicContact CE2-CD 3.95Å; Y65-K125 VanDerWaalsContact CE2-NZ 3.26Å; Y65-K125 WeakPolarHBondContact OH-CB 3.36Å; Y65-K125 WeakPolarHBondContact OH-CD 3.38Å; Y65-K125 VanDerWaalsContact OH-CE 3.26Å; Y65-K125 WeakPolarHBondContact OH-CE 3.41Å; Y65-K125 WeakPolarHBondContact OH-CG 3.42Å |
| 66 | Y | 83.6 | Confident | 83.2 | Confident | 138 Ų | 138 | 53.9 Ų | 53.9 | 54% | 0.541 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 178.1 | 176.8 | -97.5 | 0 | 0 | 0 | 112.3 | I41 E62 I63 V64 A70 | I41-Y66 HydrophobicContact CD1-CD1 3.95Å; I41-Y66 HydrophobicContact CD1-CE1 3.79Å; E62-Y66 WeakPolarHBondContact O-CB 3.28Å; E62-Y66 PolarHBondContact O-N 3.27Å; I63-Y66 PolarHBondContact O-N 2.8Å; V64-Y66 VanDerWaalsContact C-N 3.35Å; V64-Y66 PolarHBondContact O-N 3.27Å; Y66-A70 VanDerWaalsContact O-CB 3.25Å; Y66-A70 WeakPolarHBondContact O-CB 3.48Å; Y66-A70 PolarHBondContact O-N 3.45Å |
| 67 | V | 88 | Confident | 81.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111 | L14 L17 I32 I41 I63 V64 Y65 E69 A70 I71 | L14-V67 HydrophobicContact CD1-CB 4.08Å; L14-V67 HydrophobicContact CD1-CG1 3.69Å; L14-V67 HydrophobicContact CD1-CG2 4.18Å; L14-V67 HydrophobicContact CD2-CB 3.88Å; L14-V67 HydrophobicContact CD2-CG1 3.79Å; L14-V67 HydrophobicContact CG-CG1 4.39Å; L17-V67 HydrophobicContact CD1-CG1 4.37Å; I32-V67 HydrophobicContact CB-CG1 4.16Å; I32-V67 HydrophobicContact CD1-CG1 4.43Å; I32-V67 HydrophobicContact CD1-CG2 4.39Å; I32-V67 HydrophobicContact CG1-CG1 4.18Å; I32-V67 HydrophobicContact CG2-CG1 3.95Å; I41-V67 HydrophobicContact CD1-CB 3.96Å; I41-V67 HydrophobicContact CD1-CG1 4.03Å; I41-V67 HydrophobicContact CD1-CG2 3.61Å; I41-V67 HydrophobicContact CG1-CG1 4.49Å; I63-V67 HydrophobicContact CG2-CG2 4.08Å; I63-V67 WeakPolarHBondContact O-CG2 3.27Å; I63-V67 PolarHBondContact O-N 3.27Å; V64-V67 PolarHBondContact O-N 2.73Å; V64-V67 VanDerWaalsContact O-N 3.16Å; Y65-V67 VanDerWaalsContact C-N 3.31Å; Y65-V67 PolarHBondContact O-N 2.88Å; V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 2.82Å; V67-A70 PolarHBondContact O-N 3.45Å; V67-I71 HydrophobicContact CG1-CG1 3.92Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.32Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.22Å; V67-I71 PolarHBondContact O-N 3.39Å |
| 68 | D | 85.9 | Confident | 79.3 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.2 | -51.6 | 176.6 | -81.6 | -34.1 | 0 | 0 | 0 | 111.1 | H16 L17 V64 Y65 I71 A72 | H16-D68 IonicContact CD2-OD1 3.85Å; H16-D68 IonicContact CE1-OD1 2.9Å; H16-D68 PolarHBondContact CE1-OD1 3.32Å; H16-D68 IonicContact CE1-OD2 3.94Å; H16-D68 IonicContact NE2-OD1 3.44Å; H16-D68 PolarHBondContact NE2-OD1 2.92Å; H16-D68 IonicContact NE2-OD2 3.09Å; L17-D68 VanDerWaalsContact CD1-OD1 3.32Å; L17-D68 WeakPolarHBondContact CD1-OD1 3.36Å; L17-D68 WeakPolarHBondContact CD2-OD1 3.25Å; L17-D68 WeakPolarHBondContact CG-OD1 3.45Å; V64-D68 WeakPolarHBondContact O-CB 3.17Å; V64-D68 PolarHBondContact O-N 2.93Å; Y65-D68 PolarHBondContact O-N 3.07Å; D68-I71 PolarHBondContact O-N 3.17Å; D68-A72 VanDerWaalsContact O-CB 3.27Å; D68-A72 WeakPolarHBondContact O-CB 3.34Å; D68-A72 PolarHBondContact O-N 2.92Å |
| 69 | E | 77.7 | Confident | 77.9 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 179.6 | -66.1 | -60.3 | 146.4 | 0 | 0 | 110.6 | Y65 V67 I71 A72 Q73 K125 | Y65-E69 HydrophobicContact CD1-CG 4.4Å; Y65-E69 HydrophobicContact CE1-CG 4.14Å; Y65-E69 VanDerWaalsContact O-CG 3.31Å; Y65-E69 WeakPolarHBondContact O-CG 3.5Å; Y65-E69 PolarHBondContact O-N 2.95Å; V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 2.82Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.38Å; E69-A72 PolarHBondContact O-N 3.24Å; E69-Q73 VanDerWaalsContact O-CG 3.22Å; E69-Q73 WeakPolarHBondContact O-CG 3.3Å; E69-Q73 PolarHBondContact O-N 2.95Å; E69-K125 HydrophobicContact CG-CB 4.21Å; E69-K125 HydrophobicContact CG-CD 4.02Å; E69-K125 WeakPolarHBondContact OE1-CD 3.46Å; E69-K125 IonicContact OE1-NZ 2.82Å; E69-K125 PolarHBondContact OE1-NZ 3.28Å; E69-K125 WeakPolarHBondContact OE2-CD 3.31Å |
| 70 | A | 78.6 | Confident | 76.1 | Confident | 17 Ų | 17 | 55 Ų | 55 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I41 Y66 V67 Q73 M74 | I41-A70 HydrophobicContact CD1-CB 4.09Å; I41-A70 HydrophobicContact CG2-CB 3.74Å; Y66-A70 VanDerWaalsContact O-CB 3.25Å; Y66-A70 WeakPolarHBondContact O-CB 3.48Å; Y66-A70 PolarHBondContact O-N 3.45Å; V67-A70 PolarHBondContact O-N 3.45Å; A70-Q73 PolarHBondContact O-N 2.97Å; A70-M74 VanDerWaalsContact O-CG 3.22Å; A70-M74 WeakPolarHBondContact O-CG 3.43Å; A70-M74 PolarHBondContact O-N 2.94Å |
| 71 | I | 84.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 178.1 | -70.4 | -62.9 | 0 | 0 | 0 | 111.5 | L17 V19 I32 R34 V67 D68 E69 Q73 M74 A75 | L17-I71 HydrophobicContact CD1-CB 4.13Å; L17-I71 HydrophobicContact CD1-CG1 4.21Å; L17-I71 HydrophobicContact CD1-CG2 4.09Å; L17-I71 HydrophobicContact CD2-CG2 4.38Å; V19-I71 HydrophobicContact CG1-CB 4.4Å; V19-I71 HydrophobicContact CG1-CD1 3.83Å; V19-I71 HydrophobicContact CG1-CG1 4.01Å; V19-I71 HydrophobicContact CG1-CG2 3.52Å; I32-I71 HydrophobicContact CG2-CD1 4.05Å; I32-I71 HydrophobicContact CG2-CG1 4.19Å; R34-I71 WeakPolarHBondContact CD-O 3.38Å; R34-I71 HydrophobicContact CG-CD1 4.25Å; R34-I71 HydrophobicContact CG-CG2 3.93Å; R34-I71 PolarHBondContact NH1-O 2.78Å; V67-I71 HydrophobicContact CG1-CG1 3.92Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.32Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.22Å; V67-I71 PolarHBondContact O-N 3.39Å; D68-I71 PolarHBondContact O-N 3.17Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.38Å; I71-Q73 VanDerWaalsContact C-N 3.28Å; I71-Q73 PolarHBondContact O-N 2.96Å; I71-M74 PolarHBondContact O-N 2.77Å; I71-A75 PolarHBondContact O-N 3.33Å |
| 72 | A | 80.1 | Confident | 73.2 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D68 E69 M74 A75 | D68-A72 VanDerWaalsContact O-CB 3.27Å; D68-A72 WeakPolarHBondContact O-CB 3.34Å; D68-A72 PolarHBondContact O-N 2.92Å; E69-A72 PolarHBondContact O-N 3.24Å; A72-M74 VanDerWaalsContact C-N 3.31Å; A72-A75 VanDerWaalsContact O-CB 3.3Å; A72-A75 WeakPolarHBondContact O-CB 3.47Å; A72-A75 PolarHBondContact O-N 3.17Å |
| 73 | Q | 69.8 | Low | 72.5 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.9 | -23 | 175.8 | -61.4 | -35.5 | -37.2 | 0 | 0 | 114.2 | E69 A70 I71 A75 L123 | E69-Q73 VanDerWaalsContact O-CG 3.22Å; E69-Q73 WeakPolarHBondContact O-CG 3.3Å; E69-Q73 PolarHBondContact O-N 2.95Å; A70-Q73 PolarHBondContact O-N 2.97Å; I71-Q73 VanDerWaalsContact C-N 3.28Å; I71-Q73 PolarHBondContact O-N 2.96Å; Q73-A75 VanDerWaalsContact C-N 3.35Å; Q73-L123 HydrophobicContact CB-CD1 3.92Å; Q73-L123 HydrophobicContact CG-CB 4.07Å; Q73-L123 HydrophobicContact CG-CD1 3.53Å; Q73-L123 HydrophobicContact CG-CG 4.34Å; Q73-L123 PolarHBondContact NE2-O 3.49Å; Q73-L123 VanDerWaalsContact OE1-CB 3.25Å; Q73-L123 VanDerWaalsContact OE1-CD1 3.3Å |
| 74 | M | 76.8 | Confident | 71.8 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -84.4 | -11.8 | 175.9 | -74.7 | 175.3 | -175.8 | 0 | 0 | 112.9 | R34 N37 K39 G40 I41 A70 I71 A72 D76 | R34-M74 WeakPolarHBondContact CD-O 3.45Å; R34-M74 HydrophobicContact CG-CB 4.47Å; N37-M74 PolarHBondContact ND2-O 2.82Å; K39-M74 VanDerWaalsContact C-SD 3.58Å; K39-M74 HydrophobicContact CB-CB 3.88Å; K39-M74 HydrophobicContact CB-CG 4.04Å; K39-M74 HydrophobicContact CB-SD 4.04Å; G40-M74 VanDerWaalsContact C-SD 3.57Å; G40-M74 WeakPolarHBondContact CA-SD 3.32Å; G40-M74 PolarHBondContact N-SD 3.21Å; I41-M74 HydrophobicContact CG2-CE 3.49Å; I41-M74 VanDerWaalsContact CG2-CE 3.49Å; I41-M74 HydrophobicContact CG2-SD 4.35Å; A70-M74 VanDerWaalsContact O-CG 3.22Å; A70-M74 WeakPolarHBondContact O-CG 3.43Å; A70-M74 PolarHBondContact O-N 2.94Å; I71-M74 PolarHBondContact O-N 2.77Å; A72-M74 VanDerWaalsContact C-N 3.31Å; M74-D76 PolarHBondContact O-N 3.19Å |
| 75 | A | 69 | Low | 71.4 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -56.3 | 130.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | R34 I71 A72 Q73 K77 | R34-A75 VanDerWaalsContact CZ-CA 3.42Å; R34-A75 VanDerWaalsContact CZ-CB 3.41Å; I71-A75 PolarHBondContact O-N 3.33Å; A72-A75 VanDerWaalsContact O-CB 3.3Å; A72-A75 WeakPolarHBondContact O-CB 3.47Å; A72-A75 PolarHBondContact O-N 3.17Å; Q73-A75 VanDerWaalsContact C-N 3.35Å; A75-K77 PolarHBondContact O-N 3.2Å |
| 76 | D | 60 | Low | 71.8 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | trans | -67.1 | 70.8 | 171.8 | -67.4 | -51 | 0 | 0 | 0 | 108.4 | N37 K39 M74 T78 | N37-D76 PolarHBondContact ND2-OD2 3.21Å; K39-D76 IonicContact NZ-OD1 3.05Å; K39-D76 PolarHBondContact NZ-OD1 3.14Å; K39-D76 IonicContact NZ-OD2 2.63Å; M74-D76 PolarHBondContact O-N 3.19Å; D76-T78 PolarHBondContact O-N 2.91Å | ||
| 77 | K | 52.3 | Low | 72.3 | Confident | 152 Ų | 152 | 51.8 Ų | 51.8 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | trans | -60.3 | 103.9 | 147.5 | -81.6 | -173 | 178.5 | 178.6 | 0 | 103.1 | A75 L79 | A75-K77 PolarHBondContact O-N 3.2Å; K77-L79 PolarHBondContact O-N 3.32Å | ||
| 78 | T | 53 | Low | 72.8 | Confident | 81 Ų | 81 | 52 Ų | 52 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | -43.6 | 117.7 | 171.1 | 11.1 | 0 | 0 | 0 | 0 | 106.8 | D76 E80 S81 | D76-T78 PolarHBondContact O-N 2.91Å; T78-E80 HydrophobicContact CG2-CB 4.48Å; T78-E80 HydrophobicContact CG2-CG 3.94Å; T78-E80 WeakPolarHBondContact CG2-OE2 3.35Å; T78-E80 PolarHBondContact O-N 3.4Å; T78-S81 PolarHBondContact O-N 2.8Å; T78-S81 PolarHBondContact O-OG 2.89Å | ||
| 79 | L | 57.2 | Low | 73.3 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -54.4 | -18.1 | 174.7 | -74.9 | 117.4 | 0 | 0 | 0 | 110.7 | K77 S81 I82 V121 M134 D137 L138 | K77-L79 PolarHBondContact O-N 3.32Å; L79-S81 PolarHBondContact O-N 3.2Å; L79-I82 VanDerWaalsContact CA-CD1 3.49Å; L79-I82 HydrophobicContact CB-CD1 3.65Å; L79-I82 HydrophobicContact CD2-CD1 3.39Å; L79-I82 HydrophobicContact CG-CD1 3.64Å; L79-I82 VanDerWaalsContact O-CB 3.27Å; L79-I82 WeakPolarHBondContact O-CB 3.34Å; L79-I82 WeakPolarHBondContact O-CG1 3.47Å; L79-I82 PolarHBondContact O-N 3.19Å; L79-V121 HydrophobicContact CD2-CG2 4.17Å; L79-M134 HydrophobicContact CD2-CB 4.46Å; L79-M134 HydrophobicContact CD2-CE 3.43Å; L79-M134 VanDerWaalsContact CD2-CE 3.43Å; L79-D137 HydrophobicContact CB-CB 3.72Å; L79-D137 HydrophobicContact CD1-CB 3.71Å; L79-D137 HydrophobicContact CG-CB 4.29Å; L79-L138 HydrophobicContact CB-CD2 3.99Å; L79-L138 HydrophobicContact CB-CG 4.2Å; L79-L138 HydrophobicContact CD2-CD1 4.42Å; L79-L138 HydrophobicContact CD2-CD2 3.82Å; L79-L138 HydrophobicContact CD2-CG 3.9Å |
| 80 | E | 52 | Low | 74.3 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -52.4 | -21.8 | 169 | -47.7 | -171.2 | 122.9 | 0 | 0 | 115 | T78 D137 K139 | T78-E80 HydrophobicContact CG2-CB 4.48Å; T78-E80 HydrophobicContact CG2-CG 3.94Å; T78-E80 WeakPolarHBondContact CG2-OE2 3.35Å; T78-E80 PolarHBondContact O-N 3.4Å; E80-D137 PolarHBondContact N-O 2.84Å; E80-K139 WeakPolarHBondContact OE1-CE 3.39Å; E80-K139 IonicContact OE1-NZ 3.27Å; E80-K139 PolarHBondContact OE1-NZ 3.16Å |
| 81 | S | 56.7 | Low | 75.2 | Confident | 82 Ų | 82 | 48 Ų | 48 | 57% | 0.573 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -94.9 | -2.2 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | T78 L79 S83 | T78-S81 PolarHBondContact O-N 2.8Å; T78-S81 PolarHBondContact O-OG 2.89Å; L79-S81 PolarHBondContact O-N 3.2Å; S81-S83 PolarHBondContact O-N 2.91Å |
| 82 | I | 64.1 | Low | 75.8 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | trans | -71.6 | 122.8 | -176.8 | -69.3 | 164 | 0 | 0 | 0 | 109.2 | L79 Q86 I87 V121 L138 | L79-I82 VanDerWaalsContact CA-CD1 3.49Å; L79-I82 HydrophobicContact CB-CD1 3.65Å; L79-I82 HydrophobicContact CD2-CD1 3.39Å; L79-I82 HydrophobicContact CG-CD1 3.64Å; L79-I82 VanDerWaalsContact O-CB 3.27Å; L79-I82 WeakPolarHBondContact O-CB 3.34Å; L79-I82 WeakPolarHBondContact O-CG1 3.47Å; L79-I82 PolarHBondContact O-N 3.19Å; I82-Q86 HydrophobicContact CG2-CB 3.89Å; I82-I87 HydrophobicContact CG2-CD1 4.15Å; I82-V121 HydrophobicContact CD1-CB 4.3Å; I82-V121 HydrophobicContact CD1-CG1 3.46Å; I82-V121 VanDerWaalsContact CD1-CG1 3.46Å; I82-V121 HydrophobicContact CD1-CG2 3.91Å; I82-V121 HydrophobicContact CG1-CG1 3.97Å; I82-V121 HydrophobicContact CG2-CG1 3.95Å; I82-L138 HydrophobicContact CB-CD2 4.09Å; I82-L138 HydrophobicContact CD1-CD2 3.63Å; I82-L138 HydrophobicContact CG1-CD2 4.49Å; I82-L138 HydrophobicContact CG2-CD2 4.19Å | ||
| 83 | S | 70.7 | Confident | 76.6 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | trans | -69.7 | 143.8 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | S81 S85 Q86 | S81-S83 PolarHBondContact O-N 2.91Å; S83-S85 WeakPolarHBondContact CB-OG 3.33Å; S83-S85 PolarHBondContact O-N 3.25Å; S83-S85 PolarHBondContact OG-OG 2.97Å; S83-S85 VanDerWaalsContact OG-OG 3.13Å; S83-Q86 WeakPolarHBondContact O-CB 3.17Å; S83-Q86 PolarHBondContact O-N 3.26Å | ||
| 84 | S | 75.6 | Confident | 77.8 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -54.4 | -21.7 | 172.4 | 56.2 | 0 | 0 | 0 | 0 | 113 | Q86 I87 M148 N152 | S84-Q86 PolarHBondContact O-N 3.2Å; S84-I87 PolarHBondContact O-N 3.33Å; S84-M148 VanDerWaalsContact CB-SD 3.53Å; S84-N152 PolarHBondContact O-ND2 2.88Å |
| 85 | S | 81.1 | Confident | 78.7 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -69.3 | -14.9 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | S83 N152 | S83-S85 WeakPolarHBondContact CB-OG 3.33Å; S83-S85 PolarHBondContact O-N 3.25Å; S83-S85 PolarHBondContact OG-OG 2.97Å; S83-S85 VanDerWaalsContact OG-OG 3.13Å; S85-N152 WeakPolarHBondContact CA-ND2 3.38Å; S85-N152 PolarHBondContact O-ND2 2.98Å |
| 86 | Q | 90.5 | Very high | 79.9 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -91.9 | -7 | 179.7 | -63.7 | 176.9 | -95.9 | 0 | 0 | 112.4 | I82 S83 S84 M88 D122 | I82-Q86 HydrophobicContact CG2-CB 3.89Å; S83-Q86 WeakPolarHBondContact O-CB 3.17Å; S83-Q86 PolarHBondContact O-N 3.26Å; S84-Q86 PolarHBondContact O-N 3.2Å; Q86-M88 PolarHBondContact O-N 2.88Å; Q86-D122 HydrophobicContact CB-CB 4.22Å; Q86-D122 PolarHBondContact NE2-O 2.88Å; Q86-D122 VanDerWaalsContact O-CB 3.25Å; Q86-D122 WeakPolarHBondContact O-CB 3.43Å; Q86-D122 PolarHBondContact O-N 3.39Å |
| 87 | I | 95 | Very high | 81.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.2 | 177.1 | -53.9 | -58.1 | 0 | 0 | 0 | 108.4 | I82 S84 A120 V121 I130 L138 L140 I145 M148 S149 N152 | I82-I87 HydrophobicContact CG2-CD1 4.15Å; S84-I87 PolarHBondContact O-N 3.33Å; I87-A120 CarbonylContact C-O 3.56Å; I87-A120 WeakPolarHBondContact CA-O 3.24Å; I87-V121 HydrophobicContact CD1-CG2 4Å; I87-I130 HydrophobicContact CD1-CD1 3.98Å; I87-I130 HydrophobicContact CG2-CD1 4.19Å; I87-L138 HydrophobicContact CD1-CD2 4.36Å; I87-L140 HydrophobicContact CD1-CD1 4.48Å; I87-L140 HydrophobicContact CG1-CD1 4.32Å; I87-I145 HydrophobicContact CG2-CB 4.44Å; I87-I145 HydrophobicContact CG2-CG2 3.92Å; I87-M148 HydrophobicContact CB-CB 4.18Å; I87-M148 HydrophobicContact CG1-SD 4.49Å; I87-M148 HydrophobicContact CG2-CB 4.39Å; I87-S149 WeakPolarHBondContact O-CA 3.33Å; I87-N152 PolarHBondContact O-ND2 3.18Å |
| 88 | M | 97.1 | Very high | 83.8 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.6 | -174.9 | -67.3 | -59.7 | -69.8 | 0 | 0 | 111.3 | Q86 A120 D122 N152 L156 Y179 | Q86-M88 PolarHBondContact O-N 2.88Å; M88-A120 PolarHBondContact N-O 2.61Å; M88-A120 PolarHBondContact O-N 2.98Å; M88-D122 HydrophobicContact CG-CB 4.02Å; M88-N152 HydrophobicContact SD-CB 3.54Å; M88-N152 VanDerWaalsContact SD-CB 3.54Å; M88-L156 HydrophobicContact CE-CD1 3.69Å; M88-L156 HydrophobicContact CE-CD2 4.03Å; M88-L156 HydrophobicContact CE-CG 4.08Å; M88-Y179 HydrophobicContact CB-CD1 3.88Å; M88-Y179 HydrophobicContact CB-CE1 3.34Å; M88-Y179 HydrophobicContact CE-CD1 4.01Å; M88-Y179 HydrophobicContact CE-CD2 3.81Å; M88-Y179 HydrophobicContact CE-CE1 4.37Å; M88-Y179 HydrophobicContact CE-CE2 4.18Å; M88-Y179 HydrophobicContact CE-CG 3.71Å; M88-Y179 HydrophobicContact CG-CD1 4.4Å; M88-Y179 HydrophobicContact CG-CE1 3.86Å; M88-Y179 HydrophobicContact CG-CE2 4.11Å |
| 89 | P | 97.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 145.6 | 171.1 | 31.8 | -26.3 | 0 | 0 | 0 | 109.3 | V117 Y118 S149 V153 S182 L185 | P89-V117 HydrophobicContact CB-CG1 3.86Å; P89-Y118 CarbonylContact C-O 3.51Å; P89-Y118 WeakPolarHBondContact CA-O 3.38Å; P89-S149 WeakPolarHBondContact CD-O 3.43Å; P89-V153 HydrophobicContact CG-CB 3.73Å; P89-V153 HydrophobicContact CG-CG1 3.98Å; P89-V153 HydrophobicContact CG-CG2 4.16Å; P89-S182 VanDerWaalsContact O-CB 3.23Å; P89-S182 WeakPolarHBondContact O-CB 3.03Å; P89-S182 PolarHBondContact O-OG 3.4Å; P89-L185 HydrophobicContact CB-CD1 3.52Å; P89-L185 HydrophobicContact CG-CD1 3.78Å |
| 90 | V | 97.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.6 | 179.6 | -180 | 0 | 0 | 0 | 0 | 108.8 | Y118 A120 Y127 L129 Y179 | V90-Y118 PolarHBondContact N-O 2.88Å; V90-Y118 PolarHBondContact O-N 2.97Å; V90-A120 HydrophobicContact CG2-CB 3.72Å; V90-Y127 HydrophobicContact CG1-CE2 4.32Å; V90-Y127 HydrophobicContact CG2-CD2 4.31Å; V90-Y127 HydrophobicContact CG2-CE2 4.02Å; V90-L129 HydrophobicContact CB-CD2 4.37Å; V90-L129 HydrophobicContact CG2-CD2 4.44Å; V90-Y179 HydrophobicContact CG2-CD1 4.36Å; V90-Y179 HydrophobicContact CG2-CE1 4.07Å |
| 91 | I | 98 | Very high | 89.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.3 | 175.8 | -53.5 | -58.6 | 0 | 0 | 0 | 110 | T115 V117 A181 I184 L185 V205 I240 | I91-T115 HydrophobicContact CG2-CG2 3.74Å; I91-V117 HydrophobicContact CD1-CG2 3.88Å; I91-A181 HydrophobicContact CB-CB 4.33Å; I91-A181 HydrophobicContact CG1-CB 4.44Å; I91-I184 HydrophobicContact CD1-CG2 3.7Å; I91-I184 HydrophobicContact CG1-CG2 3.78Å; I91-L185 HydrophobicContact CD1-CD1 3.99Å; I91-L185 HydrophobicContact CD1-CD2 4.1Å; I91-L185 HydrophobicContact CD1-CG 3.96Å; I91-V205 HydrophobicContact CG2-CG2 4.37Å; I91-I240 HydrophobicContact CB-CD1 4.02Å; I91-I240 HydrophobicContact CG2-CD1 4Å; I91-I240 HydrophobicContact CG2-CG2 3.84Å; I91-I240 WeakPolarHBondContact O-CD1 3.39Å |
| 92 | R | 97.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 158.4 | 173.4 | -67.1 | -60.9 | -166.1 | -135.8 | 7.2 | 110.8 | F96 T115 A116 Y118 Y127 V238 | R92-F96 HydrophobicContact CB-CB 3.88Å; R92-F96 HydrophobicContact CB-CD1 4.49Å; R92-F96 HydrophobicContact CB-CG 4.08Å; R92-F96 HydrophobicContact CG-CB 4.41Å; R92-F96 HydrophobicContact CG-CD1 4.21Å; R92-F96 HydrophobicContact CG-CD2 4.31Å; R92-F96 HydrophobicContact CG-CG 4.05Å; R92-T115 CarbonylContact O-C 3.58Å; R92-T115 VanDerWaalsContact O-CA 3.28Å; R92-T115 WeakPolarHBondContact O-CA 3.31Å; R92-A116 PolarHBondContact N-O 3Å; R92-A116 PolarHBondContact O-N 2.86Å; R92-Y118 HydrophobicContact CB-CD2 3.61Å; R92-Y118 HydrophobicContact CB-CE2 3.71Å; R92-Y118 HydrophobicContact CG-CD2 3.59Å; R92-Y118 HydrophobicContact CG-CE2 4.07Å; R92-Y118 HydrophobicContact CG-CG 4.14Å; R92-Y127 PolarHBondContact NH1-OH 2.87Å; R92-Y127 PolarHBondContact NH2-OH 3.08Å; R92-V238 VanDerWaalsContact NH1-CG1 3.28Å |
| 93 | A | 96.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 148.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S95 F96 E114 I240 | A93-S95 PolarHBondContact O-N 2.71Å; A93-S95 VanDerWaalsContact O-N 3.13Å; A93-F96 VanDerWaalsContact O-CB 3.27Å; A93-F96 WeakPolarHBondContact O-CB 3.38Å; A93-F96 PolarHBondContact O-N 3.42Å; A93-E114 WeakPolarHBondContact CA-O 3.11Å; A93-I240 VanDerWaalsContact CB-O 3.28Å; A93-I240 WeakPolarHBondContact CB-O 3.23Å |
| 94 | T | 95.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 61 Ų | 61 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19 | 173.1 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | F96 A113 E114 | T94-F96 VanDerWaalsContact C-N 3.32Å; T94-A113 WeakPolarHBondContact CG2-O 3.34Å; T94-A113 PolarHBondContact OG1-O 3.1Å; T94-E114 PolarHBondContact N-O 3.2Å |
| 95 | S | 94.7 | Very high | 94.3 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 76% | 0.755 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -1.8 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | A93 | A93-S95 PolarHBondContact O-N 2.71Å; A93-S95 VanDerWaalsContact O-N 3.13Å |
| 96 | F | 95.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -66.2 | 147.8 | 177.6 | -171 | -96.3 | 0 | 0 | 0 | 111.1 | R92 A93 T94 K98 F106 Y118 L129 | R92-F96 HydrophobicContact CB-CB 3.88Å; R92-F96 HydrophobicContact CB-CD1 4.49Å; R92-F96 HydrophobicContact CB-CG 4.08Å; R92-F96 HydrophobicContact CG-CB 4.41Å; R92-F96 HydrophobicContact CG-CD1 4.21Å; R92-F96 HydrophobicContact CG-CD2 4.31Å; R92-F96 HydrophobicContact CG-CG 4.05Å; A93-F96 VanDerWaalsContact O-CB 3.27Å; A93-F96 WeakPolarHBondContact O-CB 3.38Å; A93-F96 PolarHBondContact O-N 3.42Å; T94-F96 VanDerWaalsContact C-N 3.32Å; F96-K98 PolarHBondContact O-N 3.06Å; F96-F106 HydrophobicContact CE1-CD2 4.49Å; F96-F106 HydrophobicContact CE1-CE2 4.2Å; F96-Y118 HydrophobicContact CB-CE2 4.35Å; F96-Y118 HydrophobicContact CD1-CD1 4.31Å; F96-Y118 AromaticContact CD1-CE1 3.7Å; F96-Y118 HydrophobicContact CD1-CE1 3.7Å; F96-Y118 HydrophobicContact CD1-CE2 4.01Å; F96-Y118 AromaticContact CD1-CZ 3.55Å; F96-Y118 HydrophobicContact CE1-CD1 4.38Å; F96-Y118 HydrophobicContact CE1-CE1 4.07Å; F96-Y118 PolarHBondContact O-OH 3.39Å; F96-L129 HydrophobicContact CE1-CD1 3.56Å; F96-L129 HydrophobicContact CZ-CD1 3.7Å |
| 97 | D | 96.1 | Very high | 95.5 | Very high | 113 Ų | 113 | 55.1 Ų | 55.1 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | trans | -57.7 | 125.8 | -179.2 | -71.1 | -36 | 0 | 0 | 0 | 110.8 | K99 F106 Y118 | D97-K99 PolarHBondContact O-N 3.34Å; D97-F106 VanDerWaalsContact O-CD2 3.26Å; D97-F106 WeakPolarHBondContact O-CD2 3.22Å; D97-Y118 PolarHBondContact O-OH 3.13Å | ||
| 98 | K | 96.8 | Very high | 95.6 | Very high | 104 Ų | 104 | 58 Ų | 58 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -80.1 | -3.6 | 178.4 | -63.4 | -177 | 173.1 | -165.2 | 0 | 113.6 | F96 F106 Y108 | F96-K98 PolarHBondContact O-N 3.06Å; K98-F106 PolarHBondContact O-N 2.82Å; K98-Y108 HydrophobicContact CB-CE1 4.14Å; K98-Y108 HydrophobicContact CD-CE1 4.13Å; K98-Y108 WeakPolarHBondContact CD-OH 3.27Å; K98-Y108 VanDerWaalsContact CE-OH 3.32Å; K98-Y108 WeakPolarHBondContact CE-OH 3.44Å; K98-Y108 HydrophobicContact CG-CE1 4.02Å; K98-Y108 PolarHBondContact NZ-OH 3.45Å; K98-Y108 VanDerWaalsContact NZ-OH 3.08Å |
| 99 | K | 96.9 | Very high | 95.7 | Very high | 118 Ų | 118 | 60.2 Ų | 60.2 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -140.4 | 152.5 | -176.5 | -58.7 | -174 | 171.8 | -167.5 | 0 | 109.7 | D97 V104 F106 | D97-K99 PolarHBondContact O-N 3.34Å; K99-V104 CarbonylContact C-O 3.44Å; K99-V104 WeakPolarHBondContact CA-O 3.39Å; K99-F106 WeakPolarHBondContact O-CE2 3.34Å |
| 100 | T | 91.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | trans | -62.6 | 166.9 | 167.4 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | Q102 G103 V104 F106 D131 | T100-Q102 PolarHBondContact O-N 3.35Å; T100-Q102 VanDerWaalsContact O-N 3.12Å; T100-Q102 PolarHBondContact OG1-N 2.92Å; T100-G103 PolarHBondContact O-N 2.87Å; T100-G103 PolarHBondContact OG1-N 2.99Å; T100-V104 HydrophobicContact CG2-CB 4.22Å; T100-V104 PolarHBondContact N-O 3.28Å; T100-V104 WeakPolarHBondContact OG1-CB 3.49Å; T100-V104 PolarHBondContact OG1-N 2.89Å; T100-V104 VanDerWaalsContact OG1-N 3.12Å; T100-V104 PolarHBondContact OG1-O 3.27Å; T100-F106 HydrophobicContact CG2-CD1 4.32Å; T100-F106 HydrophobicContact CG2-CE1 3.62Å; T100-F106 HydrophobicContact CG2-CE2 4.39Å; T100-F106 HydrophobicContact CG2-CZ 3.68Å; T100-D131 HydrophobicContact CG2-CB 3.81Å | ||
| 101 | K | 88.9 | Confident | 95.6 | Very high | 206 Ų | 206 | 71 Ų | 71 | 90% | 0.896 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.9 | 174 | -65.8 | -175.4 | 178.9 | 179.4 | 0 | 113 | G103 | K101-G103 VanDerWaalsContact C-N 3.31Š|
| 102 | Q | 89.7 | Confident | 95.5 | Very high | 162 Ų | 162 | 72 Ų | 72 | 76% | 0.757 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -0.7 | 175.9 | -64.4 | 77.8 | 8.7 | 0 | 0 | 112.7 | T100 | T100-Q102 PolarHBondContact O-N 3.35Å; T100-Q102 VanDerWaalsContact O-N 3.12Å; T100-Q102 PolarHBondContact OG1-N 2.92Å |
| 103 | G | 93.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 74.6 Ų | 74.6 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 86.7 | 8.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | T100 K101 | T100-G103 PolarHBondContact O-N 2.87Å; T100-G103 PolarHBondContact OG1-N 2.99Å; K101-G103 VanDerWaalsContact C-N 3.31Å |
| 104 | V | 94.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 76.7 Ų | 76.7 | 26% | 0.255 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 126.1 | 176.6 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | K99 T100 D131 E132 | K99-V104 CarbonylContact C-O 3.44Å; K99-V104 WeakPolarHBondContact CA-O 3.39Å; T100-V104 HydrophobicContact CG2-CB 4.22Å; T100-V104 PolarHBondContact N-O 3.28Å; T100-V104 WeakPolarHBondContact OG1-CB 3.49Å; T100-V104 PolarHBondContact OG1-N 2.89Å; T100-V104 VanDerWaalsContact OG1-N 3.12Å; T100-V104 PolarHBondContact OG1-O 3.27Å; V104-D131 HydrophobicContact CB-CB 4.4Å; V104-D131 HydrophobicContact CG1-CB 3.9Å; V104-E132 HydrophobicContact CG1-CB 4.2Å |
| 105 | P | 97.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 73.3 Ų | 73.3 | 21% | 0.214 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 140.7 | 177.9 | -21.2 | 33.4 | 0 | 0 | 0 | 113.3 | D131 E132 | P105-D131 CarbonylContact O-C 3.49Å; P105-D131 VanDerWaalsContact O-CA 3.23Å; P105-D131 WeakPolarHBondContact O-CA 3.11Å; P105-D131 VanDerWaalsContact O-CB 3.3Å; P105-D131 WeakPolarHBondContact O-CB 3.25Å; P105-E132 HydrophobicContact CB-CG 4.07Å; P105-E132 WeakPolarHBondContact CB-OE1 3.13Å; P105-E132 WeakPolarHBondContact CD-OE2 3.32Å; P105-E132 HydrophobicContact CG-CG 4.44Å; P105-E132 WeakPolarHBondContact CG-OE2 3.42Å; P105-E132 PolarHBondContact O-N 3.24Å |
| 106 | F | 97.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 149.1 | 167.8 | -72.4 | -61.9 | 0 | 0 | 0 | 110.6 | F96 D97 K98 K99 T100 Y108 Y118 L129 D131 | F96-F106 HydrophobicContact CE1-CD2 4.49Å; F96-F106 HydrophobicContact CE1-CE2 4.2Å; D97-F106 VanDerWaalsContact O-CD2 3.26Å; D97-F106 WeakPolarHBondContact O-CD2 3.22Å; K98-F106 PolarHBondContact O-N 2.82Å; K99-F106 WeakPolarHBondContact O-CE2 3.34Å; T100-F106 HydrophobicContact CG2-CD1 4.32Å; T100-F106 HydrophobicContact CG2-CE1 3.62Å; T100-F106 HydrophobicContact CG2-CE2 4.39Å; T100-F106 HydrophobicContact CG2-CZ 3.68Å; F106-Y108 PolarHBondContact O-N 2.87Å; F106-Y118 HydrophobicContact CB-CD1 3.85Å; F106-Y118 HydrophobicContact CB-CE1 3.72Å; F106-Y118 HydrophobicContact CD2-CD1 4.44Å; F106-Y118 AromaticContact CD2-CE1 3.98Å; F106-Y118 HydrophobicContact CD2-CE1 3.98Å; F106-Y118 HydrophobicContact CG-CD1 4.19Å; F106-Y118 HydrophobicContact CG-CE1 4.08Å; F106-L129 HydrophobicContact CD1-CB 3.87Å; F106-L129 HydrophobicContact CE1-CB 3.63Å; F106-L129 HydrophobicContact CE1-CD1 4.3Å; F106-L129 HydrophobicContact CZ-CB 4.39Å; F106-L129 HydrophobicContact CZ-CD1 4.32Å; F106-D131 HydrophobicContact CD1-CB 3.92Å; F106-D131 HydrophobicContact CE1-CB 4.26Å |
| 107 | I | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 118.3 | 165.9 | -47.7 | -53.6 | 0 | 0 | 0 | 107.4 | Y119 I130 E132 L135 E142 | I107-Y119 HydrophobicContact CB-CD2 4.11Å; I107-Y119 HydrophobicContact CG2-CD2 3.69Å; I107-Y119 HydrophobicContact CG2-CE2 4.08Å; I107-Y119 WeakPolarHBondContact O-CD2 3.28Å; I107-Y119 PolarHBondContact O-N 3.48Å; I107-I130 HydrophobicContact CG1-CG2 3.99Å; I107-I130 PolarHBondContact N-O 2.83Å; I107-E132 HydrophobicContact CD1-CB 4.45Å; I107-E132 HydrophobicContact CD1-CG 3.68Å; I107-L135 HydrophobicContact CD1-CD1 3.95Å; I107-L135 HydrophobicContact CD1-CD2 4.42Å; I107-L135 HydrophobicContact CD1-CG 4.32Å; I107-L135 HydrophobicContact CG1-CD2 4.11Å; I107-L135 HydrophobicContact CG1-CG 4.44Å; I107-E142 HydrophobicContact CD1-CG 4.04Å; I107-E142 HydrophobicContact CG2-CB 4.23Å; I107-E142 HydrophobicContact CG2-CG 4.03Å |
| 108 | Y | 98.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 156.5 | 179 | 80.2 | -87.7 | 0 | 0 | 0 | 111.1 | K98 F106 A116 V117 Y118 | K98-Y108 HydrophobicContact CB-CE1 4.14Å; K98-Y108 HydrophobicContact CD-CE1 4.13Å; K98-Y108 WeakPolarHBondContact CD-OH 3.27Å; K98-Y108 VanDerWaalsContact CE-OH 3.32Å; K98-Y108 WeakPolarHBondContact CE-OH 3.44Å; K98-Y108 HydrophobicContact CG-CE1 4.02Å; K98-Y108 PolarHBondContact NZ-OH 3.45Å; K98-Y108 VanDerWaalsContact NZ-OH 3.08Å; F106-Y108 PolarHBondContact O-N 2.87Å; Y108-A116 HydrophobicContact CD2-CB 4.32Å; Y108-V117 CarbonylContact C-O 3.45Å; Y108-V117 WeakPolarHBondContact CA-O 3.38Å; Y108-V117 VanDerWaalsContact CB-O 3.31Å; Y108-V117 WeakPolarHBondContact CB-O 3.37Å; Y108-Y118 HydrophobicContact CD1-CE1 4.33Å; Y108-Y118 HydrophobicContact CG-CE1 4.2Å; Y108-Y118 HydrophobicContact CG-CE2 4.41Å |
| 109 | D | 97.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.3 | 171.8 | -69.9 | -23.1 | 0 | 0 | 0 | 110.5 | V117 Y119 R146 | D109-V117 PolarHBondContact N-O 3.33Å; D109-V117 PolarHBondContact O-N 2.95Å; D109-Y119 PolarHBondContact OD2-OH 2.91Å; D109-R146 VanDerWaalsContact CG-NE 3.3Å; D109-R146 IonicContact OD1-CZ 2.7Å; D109-R146 IonicContact OD1-NE 2.76Å; D109-R146 PolarHBondContact OD1-NE 3.22Å; D109-R146 IonicContact OD1-NH2 3.36Å; D109-R146 PolarHBondContact OD1-NH2 3.2Å; D109-R146 VanDerWaalsContact OD2-CD 3.24Å; D109-R146 WeakPolarHBondContact OD2-CD 3.28Å; D109-R146 IonicContact OD2-CZ 2.57Å; D109-R146 IonicContact OD2-NE 3.54Å; D109-R146 PolarHBondContact OD2-NE 3.42Å |
| 110 | E | 97.1 | Very high | 95.8 | Very high | 170 Ų | 170 | 50.1 Ų | 50.1 | 79% | 0.794 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 144.8 | 167.5 | -63.9 | -176.1 | 173.3 | 0 | 0 | 110 | ||
| 111 | H | 97.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | trans | -132.3 | -52.9 | -176.7 | 174.7 | -121.9 | 0 | 0 | 0 | 112.6 | T115 V117 L185 | H111-T115 WeakPolarHBondContact CB-O 3.22Å; H111-T115 PolarHBondContact N-O 3Å; H111-T115 PolarHBondContact ND1-OG1 2.86Å; H111-V117 HydrophobicContact CB-CG2 3.82Å; H111-L185 WeakPolarHBondContact NE2-CD2 3.42Å | ||
| 112 | T | 96.5 | Very high | 96.1 | Very high | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -140.8 | -179.7 | 169.8 | 69.5 | 0 | 0 | 0 | 0 | 109.3 | E114 T115 F245 L252 | T112-E114 PolarHBondContact O-N 3.09Å; T112-E114 PolarHBondContact OG1-N 3.03Å; T112-T115 PolarHBondContact N-O 3.13Å; T112-T115 PolarHBondContact OG1-N 3.26Å; T112-T115 PolarHBondContact OG1-OG1 2.74Å; T112-F245 HydrophobicContact CG2-CD1 4.14Å; T112-F245 HydrophobicContact CG2-CE1 3.84Å; T112-F245 WeakPolarHBondContact OG1-CE1 3.35Å; T112-L252 HydrophobicContact CG2-CB 3.88Å; T112-L252 HydrophobicContact CG2-CD1 4.46Å |
| 113 | A | 94.7 | Very high | 95.9 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 61% | 0.612 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -61.5 | -23.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | T94 P254 | T94-A113 WeakPolarHBondContact CG2-O 3.34Å; T94-A113 PolarHBondContact OG1-O 3.1Å; A113-P254 HydrophobicContact CB-CG 4.11Å |
| 114 | E | 96.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.8 | -21.4 | -174.2 | -66.4 | -65.5 | 132.7 | 0 | 0 | 113.1 | A93 T94 T112 T241 L243 F245 P254 | A93-E114 WeakPolarHBondContact CA-O 3.11Å; T94-E114 PolarHBondContact N-O 3.2Å; T112-E114 PolarHBondContact O-N 3.09Å; T112-E114 PolarHBondContact OG1-N 3.03Å; E114-T241 HydrophobicContact CB-CG2 4.3Å; E114-T241 PolarHBondContact OE2-OG1 3.4Å; E114-L243 HydrophobicContact CG-CB 4.5Å; E114-L243 HydrophobicContact CG-CD1 3.92Å; E114-F245 HydrophobicContact CB-CE1 4.06Å; E114-F245 HydrophobicContact CB-CZ 3.85Å; E114-F245 HydrophobicContact CG-CE1 4.41Å; E114-F245 HydrophobicContact CG-CZ 4.48Å; E114-P254 HydrophobicContact CG-CB 4.13Å; E114-P254 HydrophobicContact CG-CG 4.16Å |
| 115 | T | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.6 | -173.1 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | I91 R92 H111 T112 V205 I240 T241 F245 | I91-T115 HydrophobicContact CG2-CG2 3.74Å; R92-T115 CarbonylContact O-C 3.58Å; R92-T115 VanDerWaalsContact O-CA 3.28Å; R92-T115 WeakPolarHBondContact O-CA 3.31Å; H111-T115 WeakPolarHBondContact CB-O 3.22Å; H111-T115 PolarHBondContact N-O 3Å; H111-T115 PolarHBondContact ND1-OG1 2.86Å; T112-T115 PolarHBondContact N-O 3.13Å; T112-T115 PolarHBondContact OG1-N 3.26Å; T112-T115 PolarHBondContact OG1-OG1 2.74Å; T115-V205 HydrophobicContact CG2-CG2 4.1Å; T115-I240 HydrophobicContact CG2-CG2 3.63Å; T115-T241 HydrophobicContact CG2-CG2 4.31Å; T115-F245 HydrophobicContact CG2-CZ 3.96Å |
| 116 | A | 98 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R92 Y108 Y118 | R92-A116 PolarHBondContact N-O 3Å; R92-A116 PolarHBondContact O-N 2.86Å; Y108-A116 HydrophobicContact CD2-CB 4.32Å; A116-Y118 HydrophobicContact CB-CD2 4.37Å; A116-Y118 HydrophobicContact CB-CE2 3.9Å |
| 117 | V | 98.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.2 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | P89 I91 Y108 D109 H111 Y119 L185 | P89-V117 HydrophobicContact CB-CG1 3.86Å; I91-V117 HydrophobicContact CD1-CG2 3.88Å; Y108-V117 CarbonylContact C-O 3.45Å; Y108-V117 WeakPolarHBondContact CA-O 3.38Å; Y108-V117 VanDerWaalsContact CB-O 3.31Å; Y108-V117 WeakPolarHBondContact CB-O 3.37Å; D109-V117 PolarHBondContact N-O 3.33Å; D109-V117 PolarHBondContact O-N 2.95Å; H111-V117 HydrophobicContact CB-CG2 3.82Å; V117-Y119 HydrophobicContact CG1-CD1 4.49Å; V117-Y119 HydrophobicContact CG1-CE1 3.77Å; V117-L185 HydrophobicContact CG1-CD1 3.92Å; V117-L185 HydrophobicContact CG2-CD1 3.84Å; V117-L185 HydrophobicContact CG2-CD2 3.65Å; V117-L185 HydrophobicContact CG2-CG 4.34Å |
| 118 | Y | 98.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 159.2 | 168.5 | -73.4 | -106.7 | 0 | 0 | 0 | 109.1 | P89 V90 R92 F96 D97 F106 Y108 A116 L129 | P89-Y118 CarbonylContact C-O 3.51Å; P89-Y118 WeakPolarHBondContact CA-O 3.38Å; V90-Y118 PolarHBondContact N-O 2.88Å; V90-Y118 PolarHBondContact O-N 2.97Å; R92-Y118 HydrophobicContact CB-CD2 3.61Å; R92-Y118 HydrophobicContact CB-CE2 3.71Å; R92-Y118 HydrophobicContact CG-CD2 3.59Å; R92-Y118 HydrophobicContact CG-CE2 4.07Å; R92-Y118 HydrophobicContact CG-CG 4.14Å; F96-Y118 HydrophobicContact CB-CE2 4.35Å; F96-Y118 HydrophobicContact CD1-CD1 4.31Å; F96-Y118 AromaticContact CD1-CE1 3.7Å; F96-Y118 HydrophobicContact CD1-CE1 3.7Å; F96-Y118 HydrophobicContact CD1-CE2 4.01Å; F96-Y118 AromaticContact CD1-CZ 3.55Å; F96-Y118 HydrophobicContact CE1-CD1 4.38Å; F96-Y118 HydrophobicContact CE1-CE1 4.07Å; F96-Y118 PolarHBondContact O-OH 3.39Å; D97-Y118 PolarHBondContact O-OH 3.13Å; F106-Y118 HydrophobicContact CB-CD1 3.85Å; F106-Y118 HydrophobicContact CB-CE1 3.72Å; F106-Y118 HydrophobicContact CD2-CD1 4.44Å; F106-Y118 AromaticContact CD2-CE1 3.98Å; F106-Y118 HydrophobicContact CD2-CE1 3.98Å; F106-Y118 HydrophobicContact CG-CD1 4.19Å; F106-Y118 HydrophobicContact CG-CE1 4.08Å; Y108-Y118 HydrophobicContact CD1-CE1 4.33Å; Y108-Y118 HydrophobicContact CG-CE1 4.2Å; Y108-Y118 HydrophobicContact CG-CE2 4.41Å; A116-Y118 HydrophobicContact CB-CD2 4.37Å; A116-Y118 HydrophobicContact CB-CE2 3.9Å; Y118-L129 HydrophobicContact CD1-CD1 4.31Å |
| 119 | Y | 97.7 | Very high | 93 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148 | 176 | -55 | -74.3 | 0 | 0 | 0 | 110.8 | I107 D109 V117 L129 I130 I145 R146 S149 | I107-Y119 HydrophobicContact CB-CD2 4.11Å; I107-Y119 HydrophobicContact CG2-CD2 3.69Å; I107-Y119 HydrophobicContact CG2-CE2 4.08Å; I107-Y119 WeakPolarHBondContact O-CD2 3.28Å; I107-Y119 PolarHBondContact O-N 3.48Å; D109-Y119 PolarHBondContact OD2-OH 2.91Å; V117-Y119 HydrophobicContact CG1-CD1 4.49Å; V117-Y119 HydrophobicContact CG1-CE1 3.77Å; Y119-L129 CarbonylContact O-C 3.5Å; Y119-L129 VanDerWaalsContact O-CA 3.31Å; Y119-L129 WeakPolarHBondContact O-CA 3.33Å; Y119-I130 PolarHBondContact O-N 3.2Å; Y119-I145 VanDerWaalsContact CB-CG2 3.43Å; Y119-I145 HydrophobicContact CD1-CG2 3.75Å; Y119-I145 HydrophobicContact CD2-CG2 3.85Å; Y119-I145 HydrophobicContact CG-CG2 3.35Å; Y119-R146 HydrophobicContact CE1-CG 4.44Å; Y119-R146 HydrophobicContact CE2-CG 4.15Å; Y119-S149 VanDerWaalsContact CD1-OG 3.31Å; Y119-S149 WeakPolarHBondContact CD1-OG 3.45Å; Y119-S149 WeakPolarHBondContact CE1-OG 3.39Å |
| 120 | A | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I87 M88 V90 Y127 R128 L129 | I87-A120 CarbonylContact C-O 3.56Å; I87-A120 WeakPolarHBondContact CA-O 3.24Å; M88-A120 PolarHBondContact N-O 2.61Å; M88-A120 PolarHBondContact O-N 2.98Å; V90-A120 HydrophobicContact CG2-CB 3.72Å; A120-Y127 HydrophobicContact CB-CD2 3.48Å; A120-Y127 VanDerWaalsContact CB-CD2 3.48Å; A120-Y127 HydrophobicContact CB-CE2 4.31Å; A120-Y127 HydrophobicContact CB-CG 3.91Å; A120-R128 CarbonylContact C-O 3.58Å; A120-R128 WeakPolarHBondContact CA-O 3.46Å; A120-L129 HydrophobicContact CB-CD2 4.13Å |
| 121 | V | 93.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.6 | 160.1 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | L79 I82 I87 L123 Y127 R128 I130 M134 L138 | L79-V121 HydrophobicContact CD2-CG2 4.17Å; I82-V121 HydrophobicContact CD1-CB 4.3Å; I82-V121 HydrophobicContact CD1-CG1 3.46Å; I82-V121 VanDerWaalsContact CD1-CG1 3.46Å; I82-V121 HydrophobicContact CD1-CG2 3.91Å; I82-V121 HydrophobicContact CG1-CG1 3.97Å; I82-V121 HydrophobicContact CG2-CG1 3.95Å; I87-V121 HydrophobicContact CD1-CG2 4Å; V121-L123 HydrophobicContact CG1-CD2 3.63Å; V121-L123 HydrophobicContact CG1-CG 4.25Å; V121-Y127 CarbonylContact O-C 3.56Å; V121-Y127 WeakPolarHBondContact O-CA 3.23Å; V121-Y127 WeakPolarHBondContact O-CB 3.29Å; V121-R128 PolarHBondContact N-O 3.29Å; V121-R128 PolarHBondContact O-N 3.43Å; V121-I130 HydrophobicContact CG2-CD1 4.18Å; V121-I130 HydrophobicContact CG2-CG1 4.03Å; V121-M134 HydrophobicContact CG2-CE 3.9Å; V121-L138 HydrophobicContact CG2-CD1 4.4Å; V121-L138 HydrophobicContact CG2-CD2 4.25Å |
| 122 | D | 91.7 | Very high | 92.5 | Very high | 35 Ų | 35 | 36 Ų | 36 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.2 | 170 | -166.9 | -36.5 | 0 | 0 | 0 | 110.6 | Q86 M88 G124 Y179 | Q86-D122 HydrophobicContact CB-CB 4.22Å; Q86-D122 PolarHBondContact NE2-O 2.88Å; Q86-D122 VanDerWaalsContact O-CB 3.25Å; Q86-D122 WeakPolarHBondContact O-CB 3.43Å; Q86-D122 PolarHBondContact O-N 3.39Å; M88-D122 HydrophobicContact CG-CB 4.02Å; D122-G124 WeakPolarHBondContact OD1-CA 3.44Å; D122-G124 PolarHBondContact OD1-N 3.48Å; D122-Y179 VanDerWaalsContact CB-OH 3.27Å; D122-Y179 WeakPolarHBondContact CB-OH 3.39Å; D122-Y179 WeakPolarHBondContact OD2-CE2 3.32Å; D122-Y179 VanDerWaalsContact OD2-CZ 3.29Å; D122-Y179 PolarHBondContact OD2-OH 2.81Å |
| 123 | L | 85.9 | Confident | 92.2 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | trans | -119.3 | 21.3 | -177.8 | -54.6 | 167.4 | 0 | 0 | 0 | 111.8 | Q73 V121 K125 S126 R128 | Q73-L123 HydrophobicContact CB-CD1 3.92Å; Q73-L123 HydrophobicContact CG-CB 4.07Å; Q73-L123 HydrophobicContact CG-CD1 3.53Å; Q73-L123 HydrophobicContact CG-CG 4.34Å; Q73-L123 PolarHBondContact NE2-O 3.49Å; Q73-L123 VanDerWaalsContact OE1-CB 3.25Å; Q73-L123 VanDerWaalsContact OE1-CD1 3.3Å; V121-L123 HydrophobicContact CG1-CD2 3.63Å; V121-L123 HydrophobicContact CG1-CG 4.25Å; L123-K125 PolarHBondContact O-N 3.02Å; L123-S126 CarbonylContact C-O 3.51Å; L123-S126 WeakPolarHBondContact CA-O 3.41Å; L123-S126 WeakPolarHBondContact CB-O 3.46Å; L123-S126 PolarHBondContact N-O 3.08Å; L123-R128 HydrophobicContact CD1-CB 4.06Å | ||
| 124 | G | 83.4 | Confident | 92 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 66% | 0.66 | 18% | 0.184 | S | C | * | . | S | Bend | trans | 89.4 | -77.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D122 | D122-G124 WeakPolarHBondContact OD1-CA 3.44Å; D122-G124 PolarHBondContact OD1-N 3.48Å |
| 125 | K | 77 | Confident | 91.7 | Very high | 119 Ų | 119 | 32.9 Ų | 32.9 | 52% | 0.517 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -96.1 | -5.2 | -176.2 | -68.3 | 163.1 | 160.5 | -172 | 0 | 113.8 | Y65 E69 L123 | Y65-K125 HydrophobicContact CE2-CD 3.95Å; Y65-K125 VanDerWaalsContact CE2-NZ 3.26Å; Y65-K125 WeakPolarHBondContact OH-CB 3.36Å; Y65-K125 WeakPolarHBondContact OH-CD 3.38Å; Y65-K125 VanDerWaalsContact OH-CE 3.26Å; Y65-K125 WeakPolarHBondContact OH-CE 3.41Å; Y65-K125 WeakPolarHBondContact OH-CG 3.42Å; E69-K125 HydrophobicContact CG-CB 4.21Å; E69-K125 HydrophobicContact CG-CD 4.02Å; E69-K125 WeakPolarHBondContact OE1-CD 3.46Å; E69-K125 IonicContact OE1-NZ 2.82Å; E69-K125 PolarHBondContact OE1-NZ 3.28Å; E69-K125 WeakPolarHBondContact OE2-CD 3.31Å; L123-K125 PolarHBondContact O-N 3.02Å |
| 126 | S | 82.3 | Confident | 91 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | trans | -150.1 | 174 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 108.2 | L123 | L123-S126 CarbonylContact C-O 3.51Å; L123-S126 WeakPolarHBondContact CA-O 3.41Å; L123-S126 WeakPolarHBondContact CB-O 3.46Å; L123-S126 PolarHBondContact N-O 3.08Å | ||
| 127 | Y | 89.4 | Confident | 90.2 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161 | 169 | 60.3 | -93.1 | 0 | 0 | 0 | 109.8 | V90 R92 A120 V121 L129 Q208 | V90-Y127 HydrophobicContact CG1-CE2 4.32Å; V90-Y127 HydrophobicContact CG2-CD2 4.31Å; V90-Y127 HydrophobicContact CG2-CE2 4.02Å; R92-Y127 PolarHBondContact NH1-OH 2.87Å; R92-Y127 PolarHBondContact NH2-OH 3.08Å; A120-Y127 HydrophobicContact CB-CD2 3.48Å; A120-Y127 VanDerWaalsContact CB-CD2 3.48Å; A120-Y127 HydrophobicContact CB-CE2 4.31Å; A120-Y127 HydrophobicContact CB-CG 3.91Å; V121-Y127 CarbonylContact O-C 3.56Å; V121-Y127 WeakPolarHBondContact O-CA 3.23Å; V121-Y127 WeakPolarHBondContact O-CB 3.29Å; Y127-L129 HydrophobicContact CD2-CD2 4.1Å; Y127-L129 HydrophobicContact CE2-CD2 3.72Å; Y127-L129 HydrophobicContact CE2-CG 4.21Å; Y127-Q208 VanDerWaalsContact OH-CD 3.27Å; Y127-Q208 PolarHBondContact OH-NE2 3.25Å; Y127-Q208 PolarHBondContact OH-OE1 2.83Å |
| 128 | R | 90 | Very high | 89.6 | Confident | 102 Ų | 102 | 44.8 Ų | 44.8 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.8 | 171.6 | -179.3 | 176 | 173.9 | -163.2 | -8.1 | 108.9 | A120 V121 L123 D131 M134 | A120-R128 CarbonylContact C-O 3.58Å; A120-R128 WeakPolarHBondContact CA-O 3.46Å; V121-R128 PolarHBondContact N-O 3.29Å; V121-R128 PolarHBondContact O-N 3.43Å; L123-R128 HydrophobicContact CD1-CB 4.06Å; R128-D131 IonicContact NH2-OD2 3.71Å; R128-M134 HydrophobicContact CG-CE 3.97Å; R128-M134 HydrophobicContact CG-SD 4.12Å; R128-M134 PolarHBondContact NE-SD 3.32Å |
| 129 | L | 94.6 | Very high | 89 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.6 | 171.5 | -65.6 | -177.2 | 0 | 0 | 0 | 110 | V90 F96 F106 Y118 Y119 A120 Y127 M134 | V90-L129 HydrophobicContact CB-CD2 4.37Å; V90-L129 HydrophobicContact CG2-CD2 4.44Å; F96-L129 HydrophobicContact CE1-CD1 3.56Å; F96-L129 HydrophobicContact CZ-CD1 3.7Å; F106-L129 HydrophobicContact CD1-CB 3.87Å; F106-L129 HydrophobicContact CE1-CB 3.63Å; F106-L129 HydrophobicContact CE1-CD1 4.3Å; F106-L129 HydrophobicContact CZ-CB 4.39Å; F106-L129 HydrophobicContact CZ-CD1 4.32Å; Y118-L129 HydrophobicContact CD1-CD1 4.31Å; Y119-L129 CarbonylContact O-C 3.5Å; Y119-L129 VanDerWaalsContact O-CA 3.31Å; Y119-L129 WeakPolarHBondContact O-CA 3.33Å; A120-L129 HydrophobicContact CB-CD2 4.13Å; Y127-L129 HydrophobicContact CD2-CD2 4.1Å; Y127-L129 HydrophobicContact CE2-CD2 3.72Å; Y127-L129 HydrophobicContact CE2-CG 4.21Å; L129-M134 VanDerWaalsContact O-SD 3.35Å |
| 130 | I | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -80.9 | 120.1 | -178.6 | -57.5 | 175.9 | 0 | 0 | 0 | 108.6 | I87 I107 Y119 V121 M134 L135 L138 I145 | I87-I130 HydrophobicContact CD1-CD1 3.98Å; I87-I130 HydrophobicContact CG2-CD1 4.19Å; I107-I130 HydrophobicContact CG1-CG2 3.99Å; I107-I130 PolarHBondContact N-O 2.83Å; Y119-I130 PolarHBondContact O-N 3.2Å; V121-I130 HydrophobicContact CG2-CD1 4.18Å; V121-I130 HydrophobicContact CG2-CG1 4.03Å; I130-M134 HydrophobicContact CG1-CE 4.23Å; I130-M134 HydrophobicContact CG2-CB 4.11Å; I130-L135 HydrophobicContact CG2-CD2 4.3Å; I130-L138 HydrophobicContact CD1-CD1 4.1Å; I130-L138 HydrophobicContact CG1-CD1 4.41Å; I130-L138 HydrophobicContact CG2-CD1 4.1Å; I130-I145 HydrophobicContact CD1-CD1 4.19Å; I130-I145 HydrophobicContact CD1-CG1 4.36Å; I130-I145 HydrophobicContact CD1-CG2 4.05Å; I130-I145 HydrophobicContact CG2-CD1 4.03Å | ||
| 131 | D | 94.7 | Very high | 88.2 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 164.9 | 170 | 64.2 | 58.9 | 0 | 0 | 0 | 110.6 | T100 V104 P105 F106 R128 S133 M134 | T100-D131 HydrophobicContact CG2-CB 3.81Å; V104-D131 HydrophobicContact CB-CB 4.4Å; V104-D131 HydrophobicContact CG1-CB 3.9Å; P105-D131 CarbonylContact O-C 3.49Å; P105-D131 VanDerWaalsContact O-CA 3.23Å; P105-D131 WeakPolarHBondContact O-CA 3.11Å; P105-D131 VanDerWaalsContact O-CB 3.3Å; P105-D131 WeakPolarHBondContact O-CB 3.25Å; F106-D131 HydrophobicContact CD1-CB 3.92Å; F106-D131 HydrophobicContact CE1-CB 4.26Å; R128-D131 IonicContact NH2-OD2 3.71Å; D131-S133 PolarHBondContact O-N 3.06Å; D131-S133 VanDerWaalsContact O-N 3.12Å; D131-S133 WeakPolarHBondContact OD1-CB 3.3Å; D131-S133 PolarHBondContact OD1-N 3.03Å; D131-S133 VanDerWaalsContact OD1-N 3.07Å; D131-S133 PolarHBondContact OD1-OG 3.45Å; D131-M134 WeakPolarHBondContact O-CB 3.26Å; D131-M134 PolarHBondContact O-N 3.18Å; D131-M134 PolarHBondContact OD1-N 3.01Å |
| 132 | E | 93.3 | Very high | 88.3 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.7 | -177.2 | -75.1 | 178.1 | -179.7 | 0 | 0 | 112.9 | V104 P105 I107 M134 L135 | V104-E132 HydrophobicContact CG1-CB 4.2Å; P105-E132 HydrophobicContact CB-CG 4.07Å; P105-E132 WeakPolarHBondContact CB-OE1 3.13Å; P105-E132 WeakPolarHBondContact CD-OE2 3.32Å; P105-E132 HydrophobicContact CG-CG 4.44Å; P105-E132 WeakPolarHBondContact CG-OE2 3.42Å; P105-E132 PolarHBondContact O-N 3.24Å; I107-E132 HydrophobicContact CD1-CB 4.45Å; I107-E132 HydrophobicContact CD1-CG 3.68Å; E132-M134 PolarHBondContact O-N 3.02Å; E132-L135 WeakPolarHBondContact O-CB 3.21Å; E132-L135 PolarHBondContact O-N 3.03Å |
| 133 | S | 90.1 | Very high | 88.3 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.5 | -23.1 | 179.6 | 75 | 0 | 0 | 0 | 0 | 113 | D131 | D131-S133 PolarHBondContact O-N 3.06Å; D131-S133 VanDerWaalsContact O-N 3.12Å; D131-S133 WeakPolarHBondContact OD1-CB 3.3Å; D131-S133 PolarHBondContact OD1-N 3.03Å; D131-S133 VanDerWaalsContact OD1-N 3.07Å; D131-S133 PolarHBondContact OD1-OG 3.45Å |
| 134 | M | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80.1 | -15.8 | 178.9 | -64.8 | 170.8 | 63.5 | 0 | 0 | 113.2 | L79 V121 R128 L129 I130 D131 E132 E136 D137 L138 | L79-M134 HydrophobicContact CD2-CB 4.46Å; L79-M134 HydrophobicContact CD2-CE 3.43Å; L79-M134 VanDerWaalsContact CD2-CE 3.43Å; V121-M134 HydrophobicContact CG2-CE 3.9Å; R128-M134 HydrophobicContact CG-CE 3.97Å; R128-M134 HydrophobicContact CG-SD 4.12Å; R128-M134 PolarHBondContact NE-SD 3.32Å; L129-M134 VanDerWaalsContact O-SD 3.35Å; I130-M134 HydrophobicContact CG1-CE 4.23Å; I130-M134 HydrophobicContact CG2-CB 4.11Å; D131-M134 WeakPolarHBondContact O-CB 3.26Å; D131-M134 PolarHBondContact O-N 3.18Å; D131-M134 PolarHBondContact OD1-N 3.01Å; E132-M134 PolarHBondContact O-N 3.02Å; M134-E136 VanDerWaalsContact C-N 3.33Å; M134-E136 PolarHBondContact O-N 3.26Å; M134-D137 PolarHBondContact O-N 3.02Å; M134-L138 HydrophobicContact CB-CD1 4.28Å; M134-L138 VanDerWaalsContact O-CB 3.28Å; M134-L138 WeakPolarHBondContact O-CB 3.47Å; M134-L138 VanDerWaalsContact O-CG 3.23Å; M134-L138 WeakPolarHBondContact O-CG 3.49Å; M134-L138 PolarHBondContact O-N 3.1Å |
| 135 | L | 88.5 | Confident | 88.9 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | -178.5 | -65.2 | -176 | 0 | 0 | 0 | 112.1 | I107 I130 E132 L138 K139 L140 E142 I145 | I107-L135 HydrophobicContact CD1-CD1 3.95Å; I107-L135 HydrophobicContact CD1-CD2 4.42Å; I107-L135 HydrophobicContact CD1-CG 4.32Å; I107-L135 HydrophobicContact CG1-CD2 4.11Å; I107-L135 HydrophobicContact CG1-CG 4.44Å; I130-L135 HydrophobicContact CG2-CD2 4.3Å; E132-L135 WeakPolarHBondContact O-CB 3.21Å; E132-L135 PolarHBondContact O-N 3.03Å; L135-L138 PolarHBondContact O-N 2.93Å; L135-K139 PolarHBondContact O-N 3.44Å; L135-L140 PolarHBondContact O-N 2.93Å; L135-E142 HydrophobicContact CD1-CG 3.85Å; L135-I145 HydrophobicContact CD2-CD1 3.17Å |
| 136 | E | 84 | Confident | 89.7 | Confident | 165 Ų | 165 | 57.9 Ų | 57.9 | 77% | 0.771 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 178.1 | -66.8 | -173 | 174.8 | 0 | 0 | 111 | M134 L138 K139 | M134-E136 VanDerWaalsContact C-N 3.33Å; M134-E136 PolarHBondContact O-N 3.26Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 2.82Å; E136-K139 WeakPolarHBondContact O-CG 3.27Å; E136-K139 PolarHBondContact O-N 3.46Å |
| 137 | D | 82.1 | Confident | 90 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | -180 | -59.9 | -29.4 | 0 | 0 | 0 | 112.2 | L79 E80 M134 K139 | L79-D137 HydrophobicContact CB-CB 3.72Å; L79-D137 HydrophobicContact CD1-CB 3.71Å; L79-D137 HydrophobicContact CG-CB 4.29Å; E80-D137 PolarHBondContact N-O 2.84Å; M134-D137 PolarHBondContact O-N 3.02Å; D137-K139 VanDerWaalsContact C-N 3.3Å |
| 138 | L | 84.6 | Confident | 90.1 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.9 | -20.9 | 175.9 | -74.6 | 169.5 | 0 | 0 | 0 | 112.7 | L79 I82 I87 V121 I130 M134 L135 E136 L140 I145 | L79-L138 HydrophobicContact CB-CD2 3.99Å; L79-L138 HydrophobicContact CB-CG 4.2Å; L79-L138 HydrophobicContact CD2-CD1 4.42Å; L79-L138 HydrophobicContact CD2-CD2 3.82Å; L79-L138 HydrophobicContact CD2-CG 3.9Å; I82-L138 HydrophobicContact CB-CD2 4.09Å; I82-L138 HydrophobicContact CD1-CD2 3.63Å; I82-L138 HydrophobicContact CG1-CD2 4.49Å; I82-L138 HydrophobicContact CG2-CD2 4.19Å; I87-L138 HydrophobicContact CD1-CD2 4.36Å; V121-L138 HydrophobicContact CG2-CD1 4.4Å; V121-L138 HydrophobicContact CG2-CD2 4.25Å; I130-L138 HydrophobicContact CD1-CD1 4.1Å; I130-L138 HydrophobicContact CG1-CD1 4.41Å; I130-L138 HydrophobicContact CG2-CD1 4.1Å; M134-L138 HydrophobicContact CB-CD1 4.28Å; M134-L138 VanDerWaalsContact O-CB 3.28Å; M134-L138 WeakPolarHBondContact O-CB 3.47Å; M134-L138 VanDerWaalsContact O-CG 3.23Å; M134-L138 WeakPolarHBondContact O-CG 3.49Å; M134-L138 PolarHBondContact O-N 3.1Å; L135-L138 PolarHBondContact O-N 2.93Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 2.82Å; L138-L140 HydrophobicContact CB-CB 4.23Å; L138-L140 HydrophobicContact CB-CD1 4.27Å; L138-L140 HydrophobicContact CB-CG 4.19Å; L138-L140 PolarHBondContact O-N 3.15Å; L138-I145 HydrophobicContact CD1-CD1 4.49Å |
| 139 | K | 86.2 | Confident | 90.4 | Very high | 143 Ų | 143 | 56.1 Ų | 56.1 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 38.2 | -171.2 | -58.1 | 174 | -173.5 | 164.6 | 0 | 111.8 | E80 L135 E136 D137 | E80-K139 WeakPolarHBondContact OE1-CE 3.39Å; E80-K139 IonicContact OE1-NZ 3.27Å; E80-K139 PolarHBondContact OE1-NZ 3.16Å; L135-K139 PolarHBondContact O-N 3.44Å; E136-K139 WeakPolarHBondContact O-CG 3.27Å; E136-K139 PolarHBondContact O-N 3.46Å; D137-K139 VanDerWaalsContact C-N 3.3Å |
| 140 | L | 87.2 | Confident | 90.3 | Very high | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | trans | -122.2 | 141.7 | 179.1 | -65.7 | 177 | 0 | 0 | 0 | 110.2 | I87 L135 L138 Q144 I145 M148 | I87-L140 HydrophobicContact CD1-CD1 4.48Å; I87-L140 HydrophobicContact CG1-CD1 4.32Å; L135-L140 PolarHBondContact O-N 2.93Å; L138-L140 HydrophobicContact CB-CB 4.23Å; L138-L140 HydrophobicContact CB-CD1 4.27Å; L138-L140 HydrophobicContact CB-CG 4.19Å; L138-L140 PolarHBondContact O-N 3.15Å; L140-Q144 HydrophobicContact CB-CB 4.44Å; L140-Q144 HydrophobicContact CD2-CB 4.15Å; L140-I145 HydrophobicContact CB-CD1 4.38Å; L140-I145 HydrophobicContact CB-CG1 4.12Å; L140-I145 HydrophobicContact CD1-CG1 4.15Å; L140-M148 HydrophobicContact CD1-CE 4.5Å; L140-M148 HydrophobicContact CD1-SD 3.85Å; L140-M148 HydrophobicContact CD2-CE 3.65Å; L140-M148 HydrophobicContact CD2-SD 4.1Å | ||
| 141 | T | 89.7 | Confident | 90.1 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | trans | -76.3 | 157.6 | 164.8 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | Q143 Q144 I145 | T141-Q143 PolarHBondContact O-N 3.45Å; T141-Q144 WeakPolarHBondContact O-CB 3.39Å; T141-Q144 PolarHBondContact O-N 3.06Å; T141-Q144 VanDerWaalsContact O-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-CG 3.29Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.32Å; T141-Q144 PolarHBondContact OG1-N 3.22Å; T141-Q144 PolarHBondContact OG1-OE1 2.92Å; T141-I145 PolarHBondContact O-N 3.44Å; T141-I145 VanDerWaalsContact O-N 3.11Å | ||
| 142 | E | 94.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.5 | -38.5 | 173.1 | -60.1 | -179.1 | -160.7 | 0 | 0 | 112.4 | I107 L135 Q144 I145 R146 | I107-E142 HydrophobicContact CD1-CG 4.04Å; I107-E142 HydrophobicContact CG2-CB 4.23Å; I107-E142 HydrophobicContact CG2-CG 4.03Å; L135-E142 HydrophobicContact CD1-CG 3.85Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.77Å; E142-I145 WeakPolarHBondContact O-CB 3.48Å; E142-I145 PolarHBondContact O-N 3.1Å; E142-I145 VanDerWaalsContact O-N 3.15Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 3.07Å; E142-R146 IonicContact OE2-CZ 3.57Å; E142-R146 IonicContact OE2-NH1 2.67Å; E142-R146 PolarHBondContact OE2-NH1 2.94Å; E142-R146 VanDerWaalsContact OE2-NH1 3.09Å; E142-R146 IonicContact OE2-NH2 3.96Å; E142-R146 PolarHBondContact OE2-NH2 3.33Å |
| 143 | Q | 90.7 | Very high | 90.3 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.5 | -176.9 | 60.8 | 23 | 0 | 0 | 111.7 | T141 I145 R146 E147 | T141-Q143 PolarHBondContact O-N 3.45Å; Q143-I145 VanDerWaalsContact C-N 3.33Å; Q143-I145 PolarHBondContact O-N 3.5Å; Q143-R146 WeakPolarHBondContact O-CB 3.48Å; Q143-R146 PolarHBondContact O-N 2.93Å; Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.22Å; Q143-E147 PolarHBondContact O-N 3.5Å |
| 144 | Q | 87.1 | Confident | 90.4 | Very high | 74 Ų | 74 | 62.8 Ų | 62.8 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.6 | -73.8 | 167 | -57 | 0 | 0 | 111.6 | L140 T141 E142 E147 M148 | L140-Q144 HydrophobicContact CB-CB 4.44Å; L140-Q144 HydrophobicContact CD2-CB 4.15Å; T141-Q144 WeakPolarHBondContact O-CB 3.39Å; T141-Q144 PolarHBondContact O-N 3.06Å; T141-Q144 VanDerWaalsContact O-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-CG 3.29Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.32Å; T141-Q144 PolarHBondContact OG1-N 3.22Å; T141-Q144 PolarHBondContact OG1-OE1 2.92Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.77Å; Q144-E147 PolarHBondContact O-N 3.48Å; Q144-M148 HydrophobicContact CB-CE 4.25Å; Q144-M148 VanDerWaalsContact O-CB 3.28Å; Q144-M148 WeakPolarHBondContact O-CB 3.28Å; Q144-M148 WeakPolarHBondContact O-CG 3.43Å; Q144-M148 PolarHBondContact O-N 2.73Å |
| 145 | I | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -73.5 | 163.6 | 0 | 0 | 0 | 111.1 | I87 Y119 I130 L135 L138 L140 T141 E142 Q143 E147 M148 S149 | I87-I145 HydrophobicContact CG2-CB 4.44Å; I87-I145 HydrophobicContact CG2-CG2 3.92Å; Y119-I145 VanDerWaalsContact CB-CG2 3.43Å; Y119-I145 HydrophobicContact CD1-CG2 3.75Å; Y119-I145 HydrophobicContact CD2-CG2 3.85Å; Y119-I145 HydrophobicContact CG-CG2 3.35Å; I130-I145 HydrophobicContact CD1-CD1 4.19Å; I130-I145 HydrophobicContact CD1-CG1 4.36Å; I130-I145 HydrophobicContact CD1-CG2 4.05Å; I130-I145 HydrophobicContact CG2-CD1 4.03Å; L135-I145 HydrophobicContact CD2-CD1 3.17Å; L138-I145 HydrophobicContact CD1-CD1 4.49Å; L140-I145 HydrophobicContact CB-CD1 4.38Å; L140-I145 HydrophobicContact CB-CG1 4.12Å; L140-I145 HydrophobicContact CD1-CG1 4.15Å; T141-I145 PolarHBondContact O-N 3.44Å; T141-I145 VanDerWaalsContact O-N 3.11Å; E142-I145 WeakPolarHBondContact O-CB 3.48Å; E142-I145 PolarHBondContact O-N 3.1Å; E142-I145 VanDerWaalsContact O-N 3.15Å; Q143-I145 VanDerWaalsContact C-N 3.33Å; Q143-I145 PolarHBondContact O-N 3.5Å; I145-E147 PolarHBondContact O-N 3.42Å; I145-M148 PolarHBondContact O-N 2.97Å; I145-S149 VanDerWaalsContact O-CB 3.23Å; I145-S149 WeakPolarHBondContact O-CB 3.39Å; I145-S149 PolarHBondContact O-N 2.82Å; I145-S149 PolarHBondContact O-OG 3.49Å; I145-S149 VanDerWaalsContact O-OG 3.1Å |
| 146 | R | 94.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.1 | -51.9 | 176.7 | -67.9 | 174.6 | 177.2 | 100 | 10.7 | 111.1 | D109 Y119 E142 Q143 S149 L150 | D109-R146 VanDerWaalsContact CG-NE 3.3Å; D109-R146 IonicContact OD1-CZ 2.7Å; D109-R146 IonicContact OD1-NE 2.76Å; D109-R146 PolarHBondContact OD1-NE 3.22Å; D109-R146 IonicContact OD1-NH2 3.36Å; D109-R146 PolarHBondContact OD1-NH2 3.2Å; D109-R146 VanDerWaalsContact OD2-CD 3.24Å; D109-R146 WeakPolarHBondContact OD2-CD 3.28Å; D109-R146 IonicContact OD2-CZ 2.57Å; D109-R146 IonicContact OD2-NE 3.54Å; D109-R146 PolarHBondContact OD2-NE 3.42Å; Y119-R146 HydrophobicContact CE1-CG 4.44Å; Y119-R146 HydrophobicContact CE2-CG 4.15Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 3.07Å; E142-R146 IonicContact OE2-CZ 3.57Å; E142-R146 IonicContact OE2-NH1 2.67Å; E142-R146 PolarHBondContact OE2-NH1 2.94Å; E142-R146 VanDerWaalsContact OE2-NH1 3.09Å; E142-R146 IonicContact OE2-NH2 3.96Å; E142-R146 PolarHBondContact OE2-NH2 3.33Å; Q143-R146 WeakPolarHBondContact O-CB 3.48Å; Q143-R146 PolarHBondContact O-N 2.93Å; R146-S149 PolarHBondContact O-OG 2.87Å; R146-L150 WeakPolarHBondContact O-CG 3.4Å; R146-L150 PolarHBondContact O-N 2.96Å; R146-L150 VanDerWaalsContact O-N 3.14Å |
| 147 | E | 88 | Confident | 91.3 | Very high | 112 Ų | 112 | 64.6 Ų | 64.6 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | -178.4 | -71.1 | 172.8 | -171.6 | 0 | 0 | 112.8 | Q143 Q144 I145 L150 F151 | Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.22Å; Q143-E147 PolarHBondContact O-N 3.5Å; Q144-E147 PolarHBondContact O-N 3.48Å; I145-E147 PolarHBondContact O-N 3.42Å; E147-L150 PolarHBondContact O-N 2.57Å; E147-F151 WeakPolarHBondContact O-CB 3.22Å; E147-F151 PolarHBondContact O-N 2.94Å |
| 148 | M | 91.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 22% | 0.222 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 179 | -71.6 | 175.3 | -175.9 | 0 | 0 | 111.3 | S84 I87 L140 Q144 I145 F151 N152 | S84-M148 VanDerWaalsContact CB-SD 3.53Å; I87-M148 HydrophobicContact CB-CB 4.18Å; I87-M148 HydrophobicContact CG1-SD 4.49Å; I87-M148 HydrophobicContact CG2-CB 4.39Å; L140-M148 HydrophobicContact CD1-CE 4.5Å; L140-M148 HydrophobicContact CD1-SD 3.85Å; L140-M148 HydrophobicContact CD2-CE 3.65Å; L140-M148 HydrophobicContact CD2-SD 4.1Å; Q144-M148 HydrophobicContact CB-CE 4.25Å; Q144-M148 VanDerWaalsContact O-CB 3.28Å; Q144-M148 WeakPolarHBondContact O-CB 3.28Å; Q144-M148 WeakPolarHBondContact O-CG 3.43Å; Q144-M148 PolarHBondContact O-N 2.73Å; I145-M148 PolarHBondContact O-N 2.97Å; M148-F151 PolarHBondContact O-N 3.08Å; M148-N152 WeakPolarHBondContact O-CB 3.26Å; M148-N152 PolarHBondContact O-N 3.4Å; M148-N152 PolarHBondContact O-ND2 3.05Å; M148-N152 VanDerWaalsContact O-ND2 3.17Å |
| 149 | S | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 179.7 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | I87 P89 Y119 I145 R146 F151 N152 V153 | I87-S149 WeakPolarHBondContact O-CA 3.33Å; P89-S149 WeakPolarHBondContact CD-O 3.43Å; Y119-S149 VanDerWaalsContact CD1-OG 3.31Å; Y119-S149 WeakPolarHBondContact CD1-OG 3.45Å; Y119-S149 WeakPolarHBondContact CE1-OG 3.39Å; I145-S149 VanDerWaalsContact O-CB 3.23Å; I145-S149 WeakPolarHBondContact O-CB 3.39Å; I145-S149 PolarHBondContact O-N 2.82Å; I145-S149 PolarHBondContact O-OG 3.49Å; I145-S149 VanDerWaalsContact O-OG 3.1Å; R146-S149 PolarHBondContact O-OG 2.87Å; S149-F151 VanDerWaalsContact C-N 3.31Å; S149-F151 PolarHBondContact O-N 2.91Å; S149-N152 PolarHBondContact O-N 3.42Å; S149-V153 PolarHBondContact O-N 3.15Å |
| 150 | L | 93.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -35 | 176.5 | -71.2 | 177 | 0 | 0 | 0 | 112 | R146 E147 V153 R154 L185 | R146-L150 WeakPolarHBondContact O-CG 3.4Å; R146-L150 PolarHBondContact O-N 2.96Å; R146-L150 VanDerWaalsContact O-N 3.14Å; E147-L150 PolarHBondContact O-N 2.57Å; L150-V153 WeakPolarHBondContact O-CG1 3.23Å; L150-R154 WeakPolarHBondContact O-CD 3.32Å; L150-R154 VanDerWaalsContact O-CG 3.25Å; L150-R154 WeakPolarHBondContact O-CG 3.24Å; L150-R154 PolarHBondContact O-N 2.63Å; L150-L185 HydrophobicContact CD2-CB 4Å; L150-L185 HydrophobicContact CD2-CD1 4.23Å |
| 151 | F | 90.6 | Very high | 93.2 | Very high | 122 Ų | 122 | 65.4 Ų | 65.4 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 174.4 | -177.9 | -124.8 | 0 | 0 | 0 | 112 | E147 M148 S149 R154 K155 | E147-F151 WeakPolarHBondContact O-CB 3.22Å; E147-F151 PolarHBondContact O-N 2.94Å; M148-F151 PolarHBondContact O-N 3.08Å; S149-F151 VanDerWaalsContact C-N 3.31Å; S149-F151 PolarHBondContact O-N 2.91Å; F151-R154 PolarHBondContact O-N 2.82Å; F151-K155 HydrophobicContact CE1-CD 4.45Å; F151-K155 WeakPolarHBondContact O-CG 3.36Å; F151-K155 PolarHBondContact O-N 3.37Å |
| 152 | N | 95.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.8 | -40.2 | -177.8 | -67.2 | -28.1 | 0 | 0 | 0 | 112.6 | S84 S85 I87 M88 M148 S149 R154 K155 | S84-N152 PolarHBondContact O-ND2 2.88Å; S85-N152 WeakPolarHBondContact CA-ND2 3.38Å; S85-N152 PolarHBondContact O-ND2 2.98Å; I87-N152 PolarHBondContact O-ND2 3.18Å; M88-N152 HydrophobicContact SD-CB 3.54Å; M88-N152 VanDerWaalsContact SD-CB 3.54Å; M148-N152 WeakPolarHBondContact O-CB 3.26Å; M148-N152 PolarHBondContact O-N 3.4Å; M148-N152 PolarHBondContact O-ND2 3.05Å; M148-N152 VanDerWaalsContact O-ND2 3.17Å; S149-N152 PolarHBondContact O-N 3.42Å; N152-R154 PolarHBondContact O-N 2.62Å; N152-K155 WeakPolarHBondContact O-CB 3.5Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 PolarHBondContact OD1-NZ 3.34Å |
| 153 | V | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -31.7 | 176.2 | 76.4 | 0 | 0 | 0 | 0 | 112.3 | P89 S149 L150 K155 L156 S182 L185 | P89-V153 HydrophobicContact CG-CB 3.73Å; P89-V153 HydrophobicContact CG-CG1 3.98Å; P89-V153 HydrophobicContact CG-CG2 4.16Å; S149-V153 PolarHBondContact O-N 3.15Å; L150-V153 WeakPolarHBondContact O-CG1 3.23Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 2.71Å; V153-L156 HydrophobicContact CG2-CD1 4.06Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.25Å; V153-S182 WeakPolarHBondContact CG2-O 3.44Å; V153-L185 HydrophobicContact CG1-CB 4.36Å |
| 154 | R | 93.7 | Very high | 94 | Very high | 131 Ų | 131 | 67.9 Ų | 67.9 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.9 | -22.2 | 175.1 | -72.3 | 172.7 | -174.1 | 176.4 | 3.3 | 113.9 | L150 F151 N152 | L150-R154 WeakPolarHBondContact O-CD 3.32Å; L150-R154 VanDerWaalsContact O-CG 3.25Å; L150-R154 WeakPolarHBondContact O-CG 3.24Å; L150-R154 PolarHBondContact O-N 2.63Å; F151-R154 PolarHBondContact O-N 2.82Å; N152-R154 PolarHBondContact O-N 2.62Å |
| 155 | K | 92.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -84.1 | -15 | 177.6 | -65.9 | 171.7 | -174.1 | 163.5 | 0 | 113.3 | F151 N152 V153 | F151-K155 HydrophobicContact CE1-CD 4.45Å; F151-K155 WeakPolarHBondContact O-CG 3.36Å; F151-K155 PolarHBondContact O-N 3.37Å; N152-K155 WeakPolarHBondContact O-CB 3.5Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 PolarHBondContact OD1-NZ 3.34Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 2.71Å |
| 156 | L | 94.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -62.8 | 147.7 | 179.6 | -63 | -178.3 | 0 | 0 | 0 | 110.5 | M88 V153 N158 R183 | M88-L156 HydrophobicContact CE-CD1 3.69Å; M88-L156 HydrophobicContact CE-CD2 4.03Å; M88-L156 HydrophobicContact CE-CG 4.08Å; V153-L156 HydrophobicContact CG2-CD1 4.06Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.25Å; L156-N158 PolarHBondContact O-N 3.06Å; L156-R183 HydrophobicContact CD1-CG 4.49Å |
| 157 | S | 93.6 | Very high | 94.5 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 37% | 0.374 | S | S | . | . | trans | -64.5 | 129.5 | 171.1 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | S159 R183 | S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 3.31Å; S157-S159 PolarHBondContact OG-OG 3.2Å; S157-R183 PolarHBondContact O-NE 2.82Å; S157-R183 PolarHBondContact O-NH2 3.23Å | ||
| 158 | N | 93.6 | Very high | 95 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | trans | -100.8 | 47.6 | 178.1 | -57 | -52.9 | 0 | 0 | 0 | 110.6 | L156 Y160 R183 N186 F189 | L156-N158 PolarHBondContact O-N 3.06Å; N158-Y160 VanDerWaalsContact O-CD1 3.27Å; N158-Y160 WeakPolarHBondContact O-CD1 3.35Å; N158-R183 WeakPolarHBondContact OD1-CD 3.19Å; N158-N186 PolarHBondContact ND2-ND2 3Å; N158-F189 HydrophobicContact CB-CD1 4.23Å; N158-F189 HydrophobicContact CB-CD2 3.65Å; N158-F189 HydrophobicContact CB-CE1 4.08Å; N158-F189 HydrophobicContact CB-CE2 3.48Å; N158-F189 VanDerWaalsContact CB-CE2 3.48Å; N158-F189 HydrophobicContact CB-CG 4.03Å; N158-F189 HydrophobicContact CB-CZ 3.71Å | ||
| 159 | S | 93.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | trans | -69.7 | 133.6 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | S157 | S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 3.31Å; S157-S159 PolarHBondContact OG-OG 3.2Å | ||
| 160 | Y | 96.8 | Very high | 95.4 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | trans | -136.3 | 157.6 | 176.5 | 52 | -99 | 0 | 0 | 0 | 111.8 | N158 Y171 F172 F189 I193 | N158-Y160 VanDerWaalsContact O-CD1 3.27Å; N158-Y160 WeakPolarHBondContact O-CD1 3.35Å; Y160-Y171 AromaticContact CD2-CD1 3.6Å; Y160-Y171 HydrophobicContact CD2-CD1 3.6Å; Y160-Y171 HydrophobicContact CD2-CE1 4.49Å; Y160-Y171 HydrophobicContact CD2-CG 4.33Å; Y160-Y171 AromaticContact CE2-CD1 3.49Å; Y160-Y171 HydrophobicContact CE2-CD1 3.49Å; Y160-Y171 VanDerWaalsContact CE2-CD1 3.49Å; Y160-Y171 AromaticContact CE2-CE1 3.96Å; Y160-Y171 HydrophobicContact CE2-CE1 3.96Å; Y160-Y171 HydrophobicContact CE2-CG 4.48Å; Y160-Y171 HydrophobicContact CG-CD1 4.41Å; Y160-F172 CarbonylContact C-O 3.57Å; Y160-F172 WeakPolarHBondContact CA-O 3.46Å; Y160-F172 WeakPolarHBondContact CB-O 3.42Å; Y160-F189 HydrophobicContact CD1-CE2 4.25Å; Y160-F189 HydrophobicContact CD1-CZ 4.06Å; Y160-F189 HydrophobicContact CE1-CE2 4.09Å; Y160-F189 HydrophobicContact CE1-CZ 4.32Å; Y160-I193 HydrophobicContact CE1-CD1 4.42Å | ||
| 161 | T | 96.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 153.3 | 163 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | Y171 F172 | T161-Y171 CarbonylContact O-C 3.55Å; T161-Y171 VanDerWaalsContact O-CA 3.3Å; T161-Y171 WeakPolarHBondContact O-CA 3.34Å; T161-F172 PolarHBondContact N-O 2.83Å; T161-F172 PolarHBondContact O-N 3.04Å |
| 162 | T | 97.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | -176.3 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | I169 F170 Y171 | T162-I169 HydrophobicContact CG2-CG2 3.47Å; T162-I169 VanDerWaalsContact CG2-CG2 3.47Å; T162-F170 CarbonylContact C-O 3.57Å; T162-F170 VanDerWaalsContact CA-O 3.31Å; T162-F170 WeakPolarHBondContact CA-O 3.4Å; T162-Y171 HydrophobicContact CG2-CD1 3.98Å; T162-Y171 HydrophobicContact CG2-CE1 3.84Å; T162-Y171 WeakPolarHBondContact OG1-CD1 3.4Å |
| 163 | D | 96.9 | Very high | 96 | Very high | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.4 | 171.9 | -74.9 | -25.6 | 0 | 0 | 0 | 111.2 | I169 F170 F172 | D163-I169 CarbonylContact O-C 3.54Å; D163-I169 WeakPolarHBondContact O-CA 3.3Å; D163-F170 PolarHBondContact N-O 2.92Å; D163-F170 PolarHBondContact O-N 2.84Å; D163-F172 HydrophobicContact CB-CE2 4.19Å |
| 164 | E | 97.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 63.8 Ų | 63.8 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.6 | 169.7 | -170.1 | -175.8 | 151.7 | 0 | 0 | 110.3 | G167 N168 | E164-G167 WeakPolarHBondContact OE1-CA 3.39Å; E164-N168 CarbonylContact C-O 3.54Å; E164-N168 WeakPolarHBondContact CA-O 3.39Å |
| 165 | V | 95.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 60 Ų | 60 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 113 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | G167 N168 F170 V224 | V165-G167 PolarHBondContact O-N 3.3Å; V165-N168 PolarHBondContact N-O 3.38Å; V165-N168 PolarHBondContact O-N 3.27Å; V165-N168 PolarHBondContact O-ND2 3.06Å; V165-N168 VanDerWaalsContact O-ND2 3.14Å; V165-F170 HydrophobicContact CB-CD2 4.23Å; V165-F170 HydrophobicContact CB-CE2 3.91Å; V165-F170 HydrophobicContact CG2-CD2 4.17Å; V165-F170 HydrophobicContact CG2-CE2 4.3Å; V165-V224 HydrophobicContact CB-CG1 4.39Å; V165-V224 HydrophobicContact CG1-CG1 4.14Å; V165-V224 HydrophobicContact CG1-CG2 4.04Å |
| 166 | K | 94.1 | Very high | 95.6 | Very high | 163 Ų | 163 | 60 Ų | 60 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.2 | 178.8 | -58 | -65.9 | -175.6 | -175.6 | 0 | 112.4 | N168 N218 T220 | K166-N168 PolarHBondContact O-ND2 2.94Å; K166-N218 PolarHBondContact O-ND2 3.15Å; K166-T220 HydrophobicContact CB-CG2 4.18Å; K166-T220 HydrophobicContact CG-CG2 4.21Å |
| 167 | G | 96.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 16.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E164 V165 R217 | E164-G167 WeakPolarHBondContact OE1-CA 3.39Å; V165-G167 PolarHBondContact O-N 3.3Å; G167-R217 WeakPolarHBondContact O-CD 3.25Å |
| 168 | N | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.9 | 171 | -50.2 | -88.2 | 0 | 0 | 0 | 108.2 | E164 V165 K166 F170 R217 N218 G221 | E164-N168 CarbonylContact C-O 3.54Å; E164-N168 WeakPolarHBondContact CA-O 3.39Å; V165-N168 PolarHBondContact N-O 3.38Å; V165-N168 PolarHBondContact O-N 3.27Å; V165-N168 PolarHBondContact O-ND2 3.06Å; V165-N168 VanDerWaalsContact O-ND2 3.14Å; K166-N168 PolarHBondContact O-ND2 2.94Å; N168-F170 HydrophobicContact CB-CE2 3.8Å; N168-F170 HydrophobicContact CB-CZ 4.25Å; N168-R217 PolarHBondContact OD1-N 3.33Å; N168-N218 PolarHBondContact ND2-ND2 3.12Å; N168-N218 PolarHBondContact ND2-OD1 3.21Å; N168-N218 VanDerWaalsContact ND2-OD1 3.12Å; N168-N218 PolarHBondContact OD1-N 3.41Å; N168-N218 PolarHBondContact OD1-ND2 3.15Å; N168-N218 PolarHBondContact OD1-O 3.05Å; N168-G221 VanDerWaalsContact CG-CA 3.44Å; N168-G221 VanDerWaalsContact ND2-CA 3.35Å; N168-G221 WeakPolarHBondContact ND2-CA 3.45Å; N168-G221 PolarHBondContact ND2-N 2.9Å |
| 169 | I | 98.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.6 | -177.6 | -54.7 | -170.8 | 0 | 0 | 0 | 109.5 | T162 D163 Y171 A214 D215 | T162-I169 HydrophobicContact CG2-CG2 3.47Å; T162-I169 VanDerWaalsContact CG2-CG2 3.47Å; D163-I169 CarbonylContact O-C 3.54Å; D163-I169 WeakPolarHBondContact O-CA 3.3Å; I169-Y171 HydrophobicContact CG2-CE1 3.94Å; I169-Y171 HydrophobicContact CG2-CE2 3.91Å; I169-A214 CarbonylContact O-C 3.52Å; I169-A214 VanDerWaalsContact O-CA 3.23Å; I169-A214 WeakPolarHBondContact O-CA 3.48Å; I169-D215 HydrophobicContact CB-CB 4.18Å; I169-D215 PolarHBondContact N-O 3.33Å; I169-D215 PolarHBondContact O-N 2.84Å |
| 170 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.2 | 177.8 | -62.9 | -95.6 | 0 | 0 | 0 | 109.3 | T162 D163 V165 N168 F172 I212 I213 A214 I216 V224 M225 L228 | T162-F170 CarbonylContact C-O 3.57Å; T162-F170 VanDerWaalsContact CA-O 3.31Å; T162-F170 WeakPolarHBondContact CA-O 3.4Å; D163-F170 PolarHBondContact N-O 2.92Å; D163-F170 PolarHBondContact O-N 2.84Å; V165-F170 HydrophobicContact CB-CD2 4.23Å; V165-F170 HydrophobicContact CB-CE2 3.91Å; V165-F170 HydrophobicContact CG2-CD2 4.17Å; V165-F170 HydrophobicContact CG2-CE2 4.3Å; N168-F170 HydrophobicContact CB-CE2 3.8Å; N168-F170 HydrophobicContact CB-CZ 4.25Å; F170-F172 HydrophobicContact CB-CD2 4.45Å; F170-F172 HydrophobicContact CB-CE2 3.63Å; F170-F172 HydrophobicContact CB-CZ 3.83Å; F170-I212 HydrophobicContact CD1-CG2 4.43Å; F170-I213 CarbonylContact C-O 3.52Å; F170-I213 WeakPolarHBondContact CA-O 3.09Å; F170-A214 HydrophobicContact CD1-CB 3.51Å; F170-A214 HydrophobicContact CE1-CB 3.61Å; F170-A214 HydrophobicContact CG-CB 4.29Å; F170-A214 HydrophobicContact CZ-CB 4.46Å; F170-I216 HydrophobicContact CE1-CD1 4.19Å; F170-I216 HydrophobicContact CZ-CD1 4.09Å; F170-V224 HydrophobicContact CE1-CG1 4.06Å; F170-V224 HydrophobicContact CE2-CG1 3.89Å; F170-V224 HydrophobicContact CZ-CB 3.91Å; F170-V224 HydrophobicContact CZ-CG1 3.48Å; F170-V224 VanDerWaalsContact CZ-CG1 3.48Å; F170-M225 HydrophobicContact CD1-SD 4.29Å; F170-M225 HydrophobicContact CE1-CB 4.13Å; F170-M225 HydrophobicContact CE1-SD 4.03Å; F170-L228 HydrophobicContact CD1-CD1 3.99Å; F170-L228 HydrophobicContact CE1-CD1 4.06Å |
| 171 | Y | 98 | Very high | 95.5 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 7% | 0.071 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.7 | 174.8 | -50.3 | -83.5 | 0 | 0 | 0 | 108.5 | Y160 T161 T162 I169 I193 I212 I213 | Y160-Y171 AromaticContact CD2-CD1 3.6Å; Y160-Y171 HydrophobicContact CD2-CD1 3.6Å; Y160-Y171 HydrophobicContact CD2-CE1 4.49Å; Y160-Y171 HydrophobicContact CD2-CG 4.33Å; Y160-Y171 AromaticContact CE2-CD1 3.49Å; Y160-Y171 HydrophobicContact CE2-CD1 3.49Å; Y160-Y171 VanDerWaalsContact CE2-CD1 3.49Å; Y160-Y171 AromaticContact CE2-CE1 3.96Å; Y160-Y171 HydrophobicContact CE2-CE1 3.96Å; Y160-Y171 HydrophobicContact CE2-CG 4.48Å; Y160-Y171 HydrophobicContact CG-CD1 4.41Å; T161-Y171 CarbonylContact O-C 3.55Å; T161-Y171 VanDerWaalsContact O-CA 3.3Å; T161-Y171 WeakPolarHBondContact O-CA 3.34Å; T162-Y171 HydrophobicContact CG2-CD1 3.98Å; T162-Y171 HydrophobicContact CG2-CE1 3.84Å; T162-Y171 WeakPolarHBondContact OG1-CD1 3.4Å; I169-Y171 HydrophobicContact CG2-CE1 3.94Å; I169-Y171 HydrophobicContact CG2-CE2 3.91Å; Y171-I193 HydrophobicContact CD2-CG2 4.08Å; Y171-I193 HydrophobicContact CE2-CG2 3.87Å; Y171-I212 WeakPolarHBondContact O-CA 3.07Å; Y171-I213 HydrophobicContact CD2-CB 4.25Å; Y171-I213 HydrophobicContact CD2-CG2 4.28Å; Y171-I213 PolarHBondContact N-O 2.87Å; Y171-I213 PolarHBondContact O-N 3.39Å |
| 172 | F | 97.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.3 | -179.5 | -60.4 | -87.8 | 0 | 0 | 0 | 110.3 | Y160 T161 D163 F170 I212 L228 F232 | Y160-F172 CarbonylContact C-O 3.57Å; Y160-F172 WeakPolarHBondContact CA-O 3.46Å; Y160-F172 WeakPolarHBondContact CB-O 3.42Å; T161-F172 PolarHBondContact N-O 2.83Å; T161-F172 PolarHBondContact O-N 3.04Å; D163-F172 HydrophobicContact CB-CE2 4.19Å; F170-F172 HydrophobicContact CB-CD2 4.45Å; F170-F172 HydrophobicContact CB-CE2 3.63Å; F170-F172 HydrophobicContact CB-CZ 3.83Å; F172-I212 HydrophobicContact CD1-CD1 4.45Å; F172-I212 HydrophobicContact CD1-CG1 4.01Å; F172-I212 HydrophobicContact CD1-CG2 4.16Å; F172-I212 HydrophobicContact CE1-CD1 4.17Å; F172-I212 HydrophobicContact CE1-CG1 4.16Å; F172-I212 HydrophobicContact CE1-CG2 3.91Å; F172-L228 HydrophobicContact CE1-CD1 4.43Å; F172-L228 HydrophobicContact CZ-CD1 4.07Å; F172-F232 HydrophobicContact CD1-CE2 4.46Å; F172-F232 HydrophobicContact CE1-CE2 4.08Å |
| 173 | I | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.3 | 172 | -57.6 | 70.4 | 0 | 0 | 0 | 106.9 | D180 F189 L211 I213 | I173-D180 HydrophobicContact CG2-CB 4.38Å; I173-D180 WeakPolarHBondContact CG2-OD1 3.49Å; I173-F189 HydrophobicContact CD1-CE1 4.43Å; I173-F189 HydrophobicContact CD1-CZ 4.36Å; I173-F189 HydrophobicContact CG1-CE1 4.42Å; I173-F189 HydrophobicContact CG1-CZ 4.38Å; I173-L211 HydrophobicContact CB-CB 4.11Å; I173-L211 HydrophobicContact CD1-CD2 4.18Å; I173-L211 HydrophobicContact CD1-CG 4.18Å; I173-L211 HydrophobicContact CG1-CD2 4.28Å; I173-L211 PolarHBondContact N-O 3.34Å; I173-L211 PolarHBondContact O-N 2.75Å; I173-I213 HydrophobicContact CD1-CD1 3.97Å; I173-I213 HydrophobicContact CD1-CG1 4.32Å |
| 174 | N | 92.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 37 Ų | 37 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | trans | -150.4 | 52.7 | -176.5 | 64.7 | -23.7 | 0 | 0 | 0 | 110.3 | N176 | N174-N176 PolarHBondContact O-N 2.85Å; N174-N176 VanDerWaalsContact O-N 3.15Å; N174-N176 PolarHBondContact O-ND2 3.31Å | ||
| 175 | S | 91.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 31.2 Ų | 31.2 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | trans | -61.4 | -19.4 | 178.6 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | D177 D180 | S175-D177 PolarHBondContact O-N 3.12Å; S175-D180 WeakPolarHBondContact CA-OD1 3.1Å; S175-D180 WeakPolarHBondContact CB-OD1 3.47Å; S175-D180 VanDerWaalsContact N-CG 3.26Å; S175-D180 PolarHBondContact N-OD1 2.81Å; S175-D180 PolarHBondContact N-OD2 3.45Å; S175-D180 VanDerWaalsContact N-OD2 3.16Å; S175-D180 PolarHBondContact OG-OD1 2.98Å; S175-D180 VanDerWaalsContact OG-OD1 3.1Å | ||
| 176 | N | 87.8 | Confident | 95.7 | Very high | 117 Ų | 117 | 29 Ų | 29 | 63% | 0.626 | 16% | 0.157 | S | C | * | . | trans | 58.2 | 36.6 | -174.7 | -56.3 | -75.3 | 0 | 0 | 0 | 111.9 | N174 G178 D180 | N174-N176 PolarHBondContact O-N 2.85Å; N174-N176 VanDerWaalsContact O-N 3.15Å; N174-N176 PolarHBondContact O-ND2 3.31Å; N176-G178 VanDerWaalsContact C-N 3.34Å; N176-D180 WeakPolarHBondContact CA-OD2 3.22Å; N176-D180 PolarHBondContact N-OD2 2.95Å | ||
| 177 | D | 90.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 23.8 Ų | 23.8 | 31% | 0.31 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -91.9 | 2.1 | 175.5 | 65.7 | 6.7 | 0 | 0 | 0 | 112.9 | S175 Y179 D180 R183 | S175-D177 PolarHBondContact O-N 3.12Å; D177-Y179 VanDerWaalsContact C-N 3.29Å; D177-Y179 WeakPolarHBondContact O-CD2 3.43Å; D177-Y179 VanDerWaalsContact O-CE2 3.28Å; D177-Y179 WeakPolarHBondContact O-CE2 3.42Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.15Å; D177-Y179 PolarHBondContact OD1-N 2.98Å; D177-D180 PolarHBondContact OD1-N 2.67Å; D177-R183 IonicContact OD1-NH1 3.83Å; D177-R183 PolarHBondContact OD1-NH1 3.05Å; D177-R183 IonicContact OD2-CZ 2.77Å; D177-R183 VanDerWaalsContact OD2-CZ 3.27Å; D177-R183 IonicContact OD2-NH1 2.87Å; D177-R183 PolarHBondContact OD2-NH1 3.42Å; D177-R183 IonicContact OD2-NH2 3.25Å; D177-R183 PolarHBondContact OD2-NH2 3.05Å |
| 178 | G | 90.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 84.3 | -2.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N176 Q208 D209 | N176-G178 VanDerWaalsContact C-N 3.34Å; G178-Q208 VanDerWaalsContact O-CG 3.26Å; G178-Q208 WeakPolarHBondContact O-CG 3.36Å; G178-Q208 PolarHBondContact O-NE2 2.95Å; G178-D209 VanDerWaalsContact CA-OD1 3.29Å; G178-D209 WeakPolarHBondContact CA-OD1 3.27Å; G178-D209 PolarHBondContact N-OD1 2.85Å |
| 179 | Y | 95.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | trans | -132.3 | 16.7 | -173.2 | -51 | -71.1 | 0 | 0 | 0 | 113.1 | M88 V90 D122 D177 A181 S182 R183 | M88-Y179 HydrophobicContact CB-CD1 3.88Å; M88-Y179 HydrophobicContact CB-CE1 3.34Å; M88-Y179 HydrophobicContact CE-CD1 4.01Å; M88-Y179 HydrophobicContact CE-CD2 3.81Å; M88-Y179 HydrophobicContact CE-CE1 4.37Å; M88-Y179 HydrophobicContact CE-CE2 4.18Å; M88-Y179 HydrophobicContact CE-CG 3.71Å; M88-Y179 HydrophobicContact CG-CD1 4.4Å; M88-Y179 HydrophobicContact CG-CE1 3.86Å; M88-Y179 HydrophobicContact CG-CE2 4.11Å; V90-Y179 HydrophobicContact CG2-CD1 4.36Å; V90-Y179 HydrophobicContact CG2-CE1 4.07Å; D122-Y179 VanDerWaalsContact CB-OH 3.27Å; D122-Y179 WeakPolarHBondContact CB-OH 3.39Å; D122-Y179 WeakPolarHBondContact OD2-CE2 3.32Å; D122-Y179 VanDerWaalsContact OD2-CZ 3.29Å; D122-Y179 PolarHBondContact OD2-OH 2.81Å; D177-Y179 VanDerWaalsContact C-N 3.29Å; D177-Y179 WeakPolarHBondContact O-CD2 3.43Å; D177-Y179 VanDerWaalsContact O-CE2 3.28Å; D177-Y179 WeakPolarHBondContact O-CE2 3.42Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.15Å; D177-Y179 PolarHBondContact OD1-N 2.98Å; Y179-A181 PolarHBondContact O-N 3.49Å; Y179-S182 WeakPolarHBondContact O-CB 3.15Å; Y179-S182 PolarHBondContact O-N 3.16Å; Y179-R183 VanDerWaalsContact C-NH1 3.28Å; Y179-R183 PolarHBondContact O-N 2.84Å; Y179-R183 PolarHBondContact O-NH1 3.01Å; Y179-R183 VanDerWaalsContact O-NH1 3.12Å | ||
| 180 | D | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -48.4 | 176.7 | -68 | -60.1 | 0 | 0 | 0 | 111 | I173 S175 N176 D177 S182 R183 D209 L211 | I173-D180 HydrophobicContact CG2-CB 4.38Å; I173-D180 WeakPolarHBondContact CG2-OD1 3.49Å; S175-D180 WeakPolarHBondContact CA-OD1 3.1Å; S175-D180 WeakPolarHBondContact CB-OD1 3.47Å; S175-D180 VanDerWaalsContact N-CG 3.26Å; S175-D180 PolarHBondContact N-OD1 2.81Å; S175-D180 PolarHBondContact N-OD2 3.45Å; S175-D180 VanDerWaalsContact N-OD2 3.16Å; S175-D180 PolarHBondContact OG-OD1 2.98Å; S175-D180 VanDerWaalsContact OG-OD1 3.1Å; N176-D180 WeakPolarHBondContact CA-OD2 3.22Å; N176-D180 PolarHBondContact N-OD2 2.95Å; D177-D180 PolarHBondContact OD1-N 2.67Å; D180-S182 VanDerWaalsContact C-N 3.25Å; D180-S182 PolarHBondContact O-N 2.88Å; D180-R183 WeakPolarHBondContact O-CB 3.47Å; D180-R183 PolarHBondContact O-N 3.4Å; D180-R183 IonicContact OD1-CZ 2.82Å; D180-R183 IonicContact OD1-NH1 2.73Å; D180-D209 VanDerWaalsContact CB-C 3.41Å; D180-L211 VanDerWaalsContact O-CB 3.3Å; D180-L211 WeakPolarHBondContact O-CB 3.19Å |
| 181 | A | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61.2 | -34.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I91 Y179 R183 I184 V205 Q208 I240 | I91-A181 HydrophobicContact CB-CB 4.33Å; I91-A181 HydrophobicContact CG1-CB 4.44Å; Y179-A181 PolarHBondContact O-N 3.49Å; A181-R183 PolarHBondContact O-N 3.31Å; A181-I184 VanDerWaalsContact O-CB 3.31Å; A181-I184 WeakPolarHBondContact O-CB 3.33Å; A181-I184 WeakPolarHBondContact O-CG2 3.44Å; A181-I184 PolarHBondContact O-N 2.92Å; A181-I184 VanDerWaalsContact O-N 3.08Å; A181-V205 HydrophobicContact CB-CB 4.01Å; A181-V205 HydrophobicContact CB-CG1 3.85Å; A181-Q208 VanDerWaalsContact CB-O 3.24Å; A181-Q208 WeakPolarHBondContact CB-O 3.26Å; A181-Q208 PolarHBondContact N-O 2.92Å; A181-I240 HydrophobicContact CB-CD1 3.8Å |
| 182 | S | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -65.3 | -22.2 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | P89 V153 Y179 D180 I184 L185 | P89-S182 VanDerWaalsContact O-CB 3.23Å; P89-S182 WeakPolarHBondContact O-CB 3.03Å; P89-S182 PolarHBondContact O-OG 3.4Å; V153-S182 WeakPolarHBondContact CG2-O 3.44Å; Y179-S182 WeakPolarHBondContact O-CB 3.15Å; Y179-S182 PolarHBondContact O-N 3.16Å; D180-S182 VanDerWaalsContact C-N 3.25Å; D180-S182 PolarHBondContact O-N 2.88Å; S182-I184 PolarHBondContact O-N 3.3Å; S182-I184 VanDerWaalsContact O-N 3.08Å; S182-L185 WeakPolarHBondContact O-CB 3.2Å; S182-L185 WeakPolarHBondContact O-CG 3.31Å; S182-L185 PolarHBondContact O-N 2.93Å |
| 183 | R | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.7 | -11.6 | 172.6 | -68.7 | 167.5 | 174.6 | 79.9 | -11.3 | 113.1 | L156 S157 N158 D177 Y179 D180 A181 L185 N186 L211 | L156-R183 HydrophobicContact CD1-CG 4.49Å; S157-R183 PolarHBondContact O-NE 2.82Å; S157-R183 PolarHBondContact O-NH2 3.23Å; N158-R183 WeakPolarHBondContact OD1-CD 3.19Å; D177-R183 IonicContact OD1-NH1 3.83Å; D177-R183 PolarHBondContact OD1-NH1 3.05Å; D177-R183 IonicContact OD2-CZ 2.77Å; D177-R183 VanDerWaalsContact OD2-CZ 3.27Å; D177-R183 IonicContact OD2-NH1 2.87Å; D177-R183 PolarHBondContact OD2-NH1 3.42Å; D177-R183 IonicContact OD2-NH2 3.25Å; D177-R183 PolarHBondContact OD2-NH2 3.05Å; Y179-R183 VanDerWaalsContact C-NH1 3.28Å; Y179-R183 PolarHBondContact O-N 2.84Å; Y179-R183 PolarHBondContact O-NH1 3.01Å; Y179-R183 VanDerWaalsContact O-NH1 3.12Å; D180-R183 WeakPolarHBondContact O-CB 3.47Å; D180-R183 PolarHBondContact O-N 3.4Å; D180-R183 IonicContact OD1-CZ 2.82Å; D180-R183 IonicContact OD1-NH1 2.73Å; A181-R183 PolarHBondContact O-N 3.31Å; R183-L185 PolarHBondContact O-N 3.49Å; R183-N186 VanDerWaalsContact O-CB 3.3Å; R183-N186 WeakPolarHBondContact O-CB 3.1Å; R183-N186 PolarHBondContact O-N 3.36Å; R183-L211 HydrophobicContact CB-CD2 3.69Å |
| 184 | I | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.5 | -25.1 | 167.4 | -160.3 | 169.7 | 0 | 0 | 0 | 112.6 | I91 A181 S182 N186 L190 V203 V205 L211 F245 L252 | I91-I184 HydrophobicContact CD1-CG2 3.7Å; I91-I184 HydrophobicContact CG1-CG2 3.78Å; A181-I184 VanDerWaalsContact O-CB 3.31Å; A181-I184 WeakPolarHBondContact O-CB 3.33Å; A181-I184 WeakPolarHBondContact O-CG2 3.44Å; A181-I184 PolarHBondContact O-N 2.92Å; A181-I184 VanDerWaalsContact O-N 3.08Å; S182-I184 PolarHBondContact O-N 3.3Å; S182-I184 VanDerWaalsContact O-N 3.08Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-L190 HydrophobicContact CG1-CD1 4.36Å; I184-L190 VanDerWaalsContact O-CD1 3.22Å; I184-L190 WeakPolarHBondContact O-CD1 3.44Å; I184-V203 HydrophobicContact CD1-CG1 3.98Å; I184-V203 HydrophobicContact CG1-CG1 4.05Å; I184-V205 HydrophobicContact CB-CG1 4.08Å; I184-V205 HydrophobicContact CD1-CG1 3.88Å; I184-V205 HydrophobicContact CD1-CG2 4.07Å; I184-V205 HydrophobicContact CG1-CG1 4.49Å; I184-V205 HydrophobicContact CG2-CG1 4.42Å; I184-L211 HydrophobicContact CB-CD1 4.35Å; I184-F245 HydrophobicContact CD1-CD2 4.34Å; I184-L252 HydrophobicContact CD1-CD1 3.82Å; I184-L252 HydrophobicContact CD1-CD2 4.14Å; I184-L252 HydrophobicContact CG1-CD1 3.75Å; I184-L252 HydrophobicContact CG1-CD2 4.35Å |
| 185 | L | 97.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -82.4 | -7.4 | 176.5 | -55.5 | 174.3 | 0 | 0 | 0 | 113 | P89 I91 H111 V117 L150 V153 S182 R183 T187 | P89-L185 HydrophobicContact CB-CD1 3.52Å; P89-L185 HydrophobicContact CG-CD1 3.78Å; I91-L185 HydrophobicContact CD1-CD1 3.99Å; I91-L185 HydrophobicContact CD1-CD2 4.1Å; I91-L185 HydrophobicContact CD1-CG 3.96Å; H111-L185 WeakPolarHBondContact NE2-CD2 3.42Å; V117-L185 HydrophobicContact CG1-CD1 3.92Å; V117-L185 HydrophobicContact CG2-CD1 3.84Å; V117-L185 HydrophobicContact CG2-CD2 3.65Å; V117-L185 HydrophobicContact CG2-CG 4.34Å; L150-L185 HydrophobicContact CD2-CB 4Å; L150-L185 HydrophobicContact CD2-CD1 4.23Å; V153-L185 HydrophobicContact CG1-CB 4.36Å; S182-L185 WeakPolarHBondContact O-CB 3.2Å; S182-L185 WeakPolarHBondContact O-CG 3.31Å; S182-L185 PolarHBondContact O-N 2.93Å; R183-L185 PolarHBondContact O-N 3.49Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.44Å |
| 186 | N | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -84 | 74.5 | 176.8 | -169.2 | -7.7 | 0 | 0 | 0 | 110.2 | N158 R183 I184 A188 F189 L190 | N158-N186 PolarHBondContact ND2-ND2 3Å; R183-N186 VanDerWaalsContact O-CB 3.3Å; R183-N186 WeakPolarHBondContact O-CB 3.1Å; R183-N186 PolarHBondContact O-N 3.36Å; I184-N186 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 2.92Å; N186-A188 VanDerWaalsContact O-N 3.15Å; N186-F189 HydrophobicContact CB-CB 4.03Å; N186-F189 VanDerWaalsContact CG-CB 3.47Å; N186-F189 WeakPolarHBondContact O-CB 3.35Å; N186-F189 PolarHBondContact O-N 2.92Å; N186-F189 PolarHBondContact OD1-N 3.49Å; N186-L190 PolarHBondContact O-N 3.12Å | ||
| 187 | T | 95.5 | Very high | 96.5 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.1 | -32.7 | -179.1 | -43.5 | 0 | 0 | 0 | 0 | 113 | L185 N191 Y247 | L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.44Å; T187-N191 VanDerWaalsContact O-CB 3.23Å; T187-N191 WeakPolarHBondContact O-CB 3.12Å; T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 PolarHBondContact O-ND2 3.49Å; T187-Y247 WeakPolarHBondContact CG2-OH 3.33Å; T187-Y247 PolarHBondContact O-OH 3.37Å |
| 188 | A | 94.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 53% | 0.529 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N186 N191 E192 | N186-A188 PolarHBondContact O-N 2.92Å; N186-A188 VanDerWaalsContact O-N 3.15Å; A188-N191 PolarHBondContact O-N 3.12Å; A188-E192 PolarHBondContact O-N 2.9Å |
| 189 | F | 97 | Very high | 97.1 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.2 | 170 | -119.5 | 0 | 0 | 0 | 112.2 | N158 Y160 I173 N186 N191 E192 I193 L211 I213 | N158-F189 HydrophobicContact CB-CD1 4.23Å; N158-F189 HydrophobicContact CB-CD2 3.65Å; N158-F189 HydrophobicContact CB-CE1 4.08Å; N158-F189 HydrophobicContact CB-CE2 3.48Å; N158-F189 VanDerWaalsContact CB-CE2 3.48Å; N158-F189 HydrophobicContact CB-CG 4.03Å; N158-F189 HydrophobicContact CB-CZ 3.71Å; Y160-F189 HydrophobicContact CD1-CE2 4.25Å; Y160-F189 HydrophobicContact CD1-CZ 4.06Å; Y160-F189 HydrophobicContact CE1-CE2 4.09Å; Y160-F189 HydrophobicContact CE1-CZ 4.32Å; I173-F189 HydrophobicContact CD1-CE1 4.43Å; I173-F189 HydrophobicContact CD1-CZ 4.36Å; I173-F189 HydrophobicContact CG1-CE1 4.42Å; I173-F189 HydrophobicContact CG1-CZ 4.38Å; N186-F189 HydrophobicContact CB-CB 4.03Å; N186-F189 VanDerWaalsContact CG-CB 3.47Å; N186-F189 WeakPolarHBondContact O-CB 3.35Å; N186-F189 PolarHBondContact O-N 2.92Å; N186-F189 PolarHBondContact OD1-N 3.49Å; F189-N191 PolarHBondContact O-N 2.79Å; F189-E192 WeakPolarHBondContact O-CB 3.24Å; F189-E192 PolarHBondContact O-N 2.94Å; F189-I193 HydrophobicContact CD2-CD1 4.19Å; F189-I193 HydrophobicContact CE1-CD1 3.97Å; F189-I193 HydrophobicContact CE2-CD1 3.44Å; F189-I193 VanDerWaalsContact CE2-CD1 3.44Å; F189-I193 HydrophobicContact CE2-CG1 4.13Å; F189-I193 HydrophobicContact CZ-CD1 3.31Å; F189-I193 HydrophobicContact CZ-CG1 4.43Å; F189-I193 PolarHBondContact O-N 2.96Å; F189-L211 HydrophobicContact CE1-CD2 4.41Å; F189-I213 HydrophobicContact CE1-CD1 3.74Å; F189-I213 HydrophobicContact CZ-CD1 4.11Å |
| 190 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.6 | -65.2 | -175.8 | 0 | 0 | 0 | 112.2 | I184 N186 E192 I193 E194 M201 V203 I213 Y247 | I184-L190 HydrophobicContact CG1-CD1 4.36Å; I184-L190 VanDerWaalsContact O-CD1 3.22Å; I184-L190 WeakPolarHBondContact O-CD1 3.44Å; N186-L190 PolarHBondContact O-N 3.12Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 2.89Å; L190-I193 PolarHBondContact O-N 2.85Å; L190-E194 WeakPolarHBondContact O-CB 3.41Å; L190-E194 PolarHBondContact O-N 2.81Å; L190-M201 HydrophobicContact CB-CE 4.39Å; L190-V203 HydrophobicContact CD2-CG2 4.48Å; L190-I213 HydrophobicContact CD2-CD1 3.49Å; L190-I213 VanDerWaalsContact CD2-CD1 3.49Å; L190-I213 HydrophobicContact CD2-CG1 4.14Å; L190-Y247 HydrophobicContact CB-CD2 4.35Å; L190-Y247 HydrophobicContact CB-CE1 4.03Å; L190-Y247 HydrophobicContact CB-CE2 3.63Å; L190-Y247 VanDerWaalsContact CB-CZ 3.4Å; L190-Y247 WeakPolarHBondContact CB-OH 3.31Å; L190-Y247 HydrophobicContact CD1-CD2 3.81Å; L190-Y247 HydrophobicContact CD1-CE2 3.37Å; L190-Y247 HydrophobicContact CG-CE2 4.16Å |
| 191 | N | 97.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.3 | -73.6 | -12.4 | 0 | 0 | 0 | 112.5 | T187 A188 F189 I193 E194 A195 Y247 | T187-N191 VanDerWaalsContact O-CB 3.23Å; T187-N191 WeakPolarHBondContact O-CB 3.12Å; T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 PolarHBondContact O-ND2 3.49Å; A188-N191 PolarHBondContact O-N 3.12Å; F189-N191 PolarHBondContact O-N 2.79Å; N191-I193 VanDerWaalsContact C-N 3.35Å; N191-E194 PolarHBondContact O-N 2.85Å; N191-A195 WeakPolarHBondContact O-CB 3.33Å; N191-A195 PolarHBondContact O-N 2.75Å; N191-Y247 WeakPolarHBondContact OD1-CE1 3.25Å; N191-Y247 PolarHBondContact OD1-OH 3.22Å |
| 192 | E | 97 | Very high | 97.3 | Very high | 123 Ų | 123 | 41.7 Ų | 41.7 | 58% | 0.575 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.4 | -40.8 | 175.2 | -175.2 | -176.3 | 168.8 | 0 | 0 | 111.6 | A188 F189 L190 Q196 | A188-E192 PolarHBondContact O-N 2.9Å; F189-E192 WeakPolarHBondContact O-CB 3.24Å; F189-E192 PolarHBondContact O-N 2.94Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 2.89Å; E192-Q196 WeakPolarHBondContact O-CG 3.31Å; E192-Q196 PolarHBondContact O-NE2 3.48Å |
| 193 | I | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73 | -41.2 | 174.6 | -62.8 | 175.3 | 0 | 0 | 0 | 111 | Y160 Y171 F189 L190 N191 A195 Q196 C197 M201 I213 | Y160-I193 HydrophobicContact CE1-CD1 4.42Å; Y171-I193 HydrophobicContact CD2-CG2 4.08Å; Y171-I193 HydrophobicContact CE2-CG2 3.87Å; F189-I193 HydrophobicContact CD2-CD1 4.19Å; F189-I193 HydrophobicContact CE1-CD1 3.97Å; F189-I193 HydrophobicContact CE2-CD1 3.44Å; F189-I193 VanDerWaalsContact CE2-CD1 3.44Å; F189-I193 HydrophobicContact CE2-CG1 4.13Å; F189-I193 HydrophobicContact CZ-CD1 3.31Å; F189-I193 HydrophobicContact CZ-CG1 4.43Å; F189-I193 PolarHBondContact O-N 2.96Å; L190-I193 PolarHBondContact O-N 2.85Å; N191-I193 VanDerWaalsContact C-N 3.35Å; I193-A195 PolarHBondContact O-N 3.44Å; I193-Q196 PolarHBondContact O-N 2.83Å; I193-C197 PolarHBondContact O-N 2.97Å; I193-C197 PolarHBondContact O-SG 3.45Å; I193-M201 HydrophobicContact CB-SD 4.13Å; I193-M201 HydrophobicContact CG2-SD 3.79Å; I193-I213 HydrophobicContact CD1-CD1 3.47Å; I193-I213 VanDerWaalsContact CD1-CD1 3.47Å; I193-I213 HydrophobicContact CG2-CG2 3.8Å |
| 194 | E | 98.1 | Very high | 97.4 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -40.8 | 177.6 | -167.3 | -167.8 | 177.9 | 0 | 0 | 110.9 | L190 N191 Q196 C197 M201 Y247 K248 Q249 | L190-E194 WeakPolarHBondContact O-CB 3.41Å; L190-E194 PolarHBondContact O-N 2.81Å; N191-E194 PolarHBondContact O-N 2.85Å; E194-Q196 PolarHBondContact O-N 3.38Å; E194-C197 WeakPolarHBondContact O-CB 3.2Å; E194-C197 PolarHBondContact O-N 2.78Å; E194-M201 HydrophobicContact CB-CE 3.77Å; E194-M201 HydrophobicContact CB-SD 3.97Å; E194-M201 HydrophobicContact CG-CB 4.47Å; E194-M201 HydrophobicContact CG-CE 4.26Å; E194-Y247 HydrophobicContact CB-CD1 4.32Å; E194-Y247 HydrophobicContact CB-CE1 4.25Å; E194-Y247 HydrophobicContact CG-CD1 4.27Å; E194-Y247 WeakPolarHBondContact OE2-CE1 3.42Å; E194-K248 WeakPolarHBondContact OE1-CD 3.32Å; E194-K248 WeakPolarHBondContact OE1-CE 3.21Å; E194-K248 IonicContact OE1-NZ 3.2Å; E194-K248 PolarHBondContact OE1-NZ 3.45Å; E194-Q249 PolarHBondContact OE2-N 2.74Å |
| 195 | A | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 41.5 Ų | 41.5 | 74% | 0.736 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N191 I193 | N191-A195 WeakPolarHBondContact O-CB 3.33Å; N191-A195 PolarHBondContact O-N 2.75Å; I193-A195 PolarHBondContact O-N 3.44Å |
| 196 | Q | 96.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -12.9 | 179.6 | -62.6 | 172.4 | 48.6 | 0 | 0 | 112.8 | E192 I193 E194 | E192-Q196 WeakPolarHBondContact O-CG 3.31Å; E192-Q196 PolarHBondContact O-NE2 3.48Å; I193-Q196 PolarHBondContact O-N 2.83Å; E194-Q196 PolarHBondContact O-N 3.38Å |
| 197 | C | 97.7 | Very high | 97.2 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 17% | 0.169 | 24% | 0.237 | C | C | . | . | trans | -70.7 | 137.7 | -178.2 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | I193 E194 D215 | I193-C197 PolarHBondContact O-N 2.97Å; I193-C197 PolarHBondContact O-SG 3.45Å; E194-C197 WeakPolarHBondContact O-CB 3.2Å; E194-C197 PolarHBondContact O-N 2.78Å; C197-D215 WeakPolarHBondContact CA-OD2 3.44Å; C197-D215 HydrophobicContact CB-CB 4.24Å | ||
| 198 | Q | 97.3 | Very high | 97 | Very high | 154 Ų | 154 | 39.6 Ų | 39.6 | 72% | 0.72 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -93.5 | -24.3 | 174.2 | -63.8 | -178 | -7.5 | 0 | 0 | 112.3 | D215 R217 | Q198-D215 PolarHBondContact N-OD1 3.47Å; Q198-D215 PolarHBondContact N-OD2 3.42Å; Q198-R217 HydrophobicContact CB-CG 4.42Å |
| 199 | G | 96.9 | Very high | 97 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -112.7 | -152.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D215 I216 | G199-D215 VanDerWaalsContact CA-OD1 3.3Å; G199-D215 WeakPolarHBondContact CA-OD1 3.42Å; G199-D215 PolarHBondContact N-OD1 3.25Å; G199-I216 WeakPolarHBondContact CA-O 3.36Å |
| 200 | E | 96.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.2 | 177.7 | -172.6 | 172 | 156.2 | 0 | 0 | 110.2 | L202 I216 Y222 | E200-L202 HydrophobicContact CG-CD2 4.37Å; E200-I216 PolarHBondContact N-O 2.98Å; E200-I216 WeakPolarHBondContact O-CB 3.34Å; E200-I216 PolarHBondContact O-N 3.43Å; E200-Y222 VanDerWaalsContact CD-OH 3.25Å; E200-Y222 PolarHBondContact OE2-OH 2.53Å |
| 201 | M | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.5 | 176.5 | -166.3 | 173.1 | 74.7 | 0 | 0 | 110.3 | L190 I193 E194 V203 I213 A214 Y247 | L190-M201 HydrophobicContact CB-CE 4.39Å; I193-M201 HydrophobicContact CB-SD 4.13Å; I193-M201 HydrophobicContact CG2-SD 3.79Å; E194-M201 HydrophobicContact CB-CE 3.77Å; E194-M201 HydrophobicContact CB-SD 3.97Å; E194-M201 HydrophobicContact CG-CB 4.47Å; E194-M201 HydrophobicContact CG-CE 4.26Å; M201-V203 HydrophobicContact CE-CG2 4.21Å; M201-I213 HydrophobicContact CG-CG2 3.74Å; M201-I213 HydrophobicContact SD-CG2 3.55Å; M201-I213 VanDerWaalsContact SD-CG2 3.55Å; M201-A214 CarbonylContact C-O 3.46Å; M201-A214 VanDerWaalsContact CA-O 3.29Å; M201-A214 WeakPolarHBondContact CA-O 3.43Å; M201-Y247 HydrophobicContact CE-CD1 3.02Å; M201-Y247 HydrophobicContact CE-CD2 4.19Å; M201-Y247 HydrophobicContact CE-CE1 3.64Å; M201-Y247 HydrophobicContact CE-CG 3.3Å; M201-Y247 PolarHBondContact O-N 2.94Å |
| 202 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.8 | 168.7 | -58.9 | -172.8 | 0 | 0 | 0 | 110.7 | E200 I213 A214 I216 Y222 M225 F245 I255 I257 | E200-L202 HydrophobicContact CG-CD2 4.37Å; L202-I213 CarbonylContact O-C 3.55Å; L202-I213 WeakPolarHBondContact O-CA 3.28Å; L202-A214 HydrophobicContact CB-CB 4.48Å; L202-A214 PolarHBondContact N-O 3.44Å; L202-A214 PolarHBondContact O-N 3.03Å; L202-I216 HydrophobicContact CB-CG1 4.26Å; L202-I216 HydrophobicContact CD1-CD1 4.29Å; L202-I216 HydrophobicContact CD1-CG1 3.59Å; L202-I216 HydrophobicContact CG-CG1 3.63Å; L202-Y222 HydrophobicContact CD1-CD1 3.88Å; L202-Y222 HydrophobicContact CD1-CE1 3.94Å; L202-Y222 HydrophobicContact CD2-CE1 4.41Å; L202-M225 HydrophobicContact CB-CE 4.16Å; L202-M225 HydrophobicContact CB-CG 4.36Å; L202-M225 HydrophobicContact CD1-CB 4.25Å; L202-M225 HydrophobicContact CD1-CG 3.92Å; L202-F245 CarbonylContact C-O 3.57Å; L202-F245 VanDerWaalsContact CA-O 3.28Å; L202-F245 WeakPolarHBondContact CA-O 3.25Å; L202-I255 HydrophobicContact CD1-CD1 3.52Å; L202-I255 HydrophobicContact CD2-CD1 3.38Å; L202-I255 HydrophobicContact CD2-CG1 4.4Å; L202-I255 HydrophobicContact CG-CD1 4.04Å; L202-I257 HydrophobicContact CD1-CD1 4.3Å |
| 203 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.5 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | I184 L190 M201 L211 I212 I213 S244 F245 Y247 L252 | I184-V203 HydrophobicContact CD1-CG1 3.98Å; I184-V203 HydrophobicContact CG1-CG1 4.05Å; L190-V203 HydrophobicContact CD2-CG2 4.48Å; M201-V203 HydrophobicContact CE-CG2 4.21Å; V203-L211 HydrophobicContact CG1-CD1 3.38Å; V203-I212 CarbonylContact C-O 3.39Å; V203-I212 VanDerWaalsContact CA-O 3.27Å; V203-I212 WeakPolarHBondContact CA-O 3.36Å; V203-I213 HydrophobicContact CG1-CG1 4.45Å; V203-I213 HydrophobicContact CG2-CG1 4.44Å; V203-I213 HydrophobicContact CG2-CG2 4.42Å; V203-S244 CarbonylContact O-C 3.46Å; V203-S244 WeakPolarHBondContact O-CA 3.47Å; V203-F245 PolarHBondContact N-O 3.45Å; V203-F245 PolarHBondContact O-N 3.02Å; V203-Y247 HydrophobicContact CG2-CD2 4.49Å; V203-Y247 HydrophobicContact CG2-CG 4.43Å; V203-L252 HydrophobicContact CB-CD2 4.3Å |
| 204 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | P206 L211 I212 M225 T229 | A204-P206 VanDerWaalsContact C-CD 3.48Å; A204-P206 WeakPolarHBondContact O-CD 3.31Å; A204-L211 WeakPolarHBondContact O-CA 3.05Å; A204-I212 HydrophobicContact CB-CB 4.37Å; A204-I212 PolarHBondContact N-O 3.04Å; A204-I212 PolarHBondContact O-N 3.4Å; A204-M225 HydrophobicContact CB-CE 3.43Å; A204-M225 VanDerWaalsContact CB-CE 3.43Å; A204-T229 HydrophobicContact CB-CG2 3.79Å; A204-T229 WeakPolarHBondContact CB-OG1 3.4Å |
| 205 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -125.7 | 72.6 | 175.4 | -74.2 | 0 | 0 | 0 | 0 | 108.9 | I91 T115 A181 I184 H207 L211 I240 T241 F245 | I91-V205 HydrophobicContact CG2-CG2 4.37Å; T115-V205 HydrophobicContact CG2-CG2 4.1Å; A181-V205 HydrophobicContact CB-CB 4.01Å; A181-V205 HydrophobicContact CB-CG1 3.85Å; I184-V205 HydrophobicContact CB-CG1 4.08Å; I184-V205 HydrophobicContact CD1-CG1 3.88Å; I184-V205 HydrophobicContact CD1-CG2 4.07Å; I184-V205 HydrophobicContact CG1-CG1 4.49Å; I184-V205 HydrophobicContact CG2-CG1 4.42Å; V205-H207 VanDerWaalsContact C-N 3.31Å; V205-H207 PolarHBondContact O-N 3.28Å; V205-L211 HydrophobicContact CG1-CD1 3.83Å; V205-I240 HydrophobicContact CG2-CG2 4.24Å; V205-I240 WeakPolarHBondContact O-CB 3.39Å; V205-T241 HydrophobicContact CG2-CG2 4.4Å; V205-F245 HydrophobicContact CG2-CE2 3.92Å | ||
| 206 | P | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -63.7 | -36.3 | -174.5 | 23.2 | -32.4 | 0 | 0 | 0 | 113.3 | A204 V210 I212 T229 F232 F233 I240 T241 | A204-P206 VanDerWaalsContact C-CD 3.48Å; A204-P206 WeakPolarHBondContact O-CD 3.31Å; P206-V210 HydrophobicContact CG-CB 3.99Å; P206-V210 HydrophobicContact CG-CG1 3.57Å; P206-I212 HydrophobicContact CG-CD1 4.32Å; P206-T229 HydrophobicContact CB-CG2 4.24Å; P206-T229 WeakPolarHBondContact CB-O 3.4Å; P206-F232 HydrophobicContact CB-CB 3.65Å; P206-F232 HydrophobicContact CG-CB 3.43Å; P206-F232 VanDerWaalsContact CG-CB 3.43Å; P206-F232 HydrophobicContact CG-CG 4.29Å; P206-F233 HydrophobicContact CB-CB 4.01Å; P206-F233 WeakPolarHBondContact O-CD2 3.3Å; P206-I240 PolarHBondContact O-N 3.21Å; P206-T241 WeakPolarHBondContact CA-O 3.39Å |
| 207 | H | 94.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -153.4 | 174 | 173.8 | 65.5 | 87.7 | 0 | 0 | 0 | 109.9 | V205 D209 V210 F232 V238 | V205-H207 VanDerWaalsContact C-N 3.31Å; V205-H207 PolarHBondContact O-N 3.28Å; H207-D209 VanDerWaalsContact C-N 3.32Å; H207-D209 PolarHBondContact ND1-N 3.02Å; H207-D209 PolarHBondContact O-N 2.9Å; H207-V210 WeakPolarHBondContact CE1-CG2 3.14Å; H207-V210 WeakPolarHBondContact NE2-CG2 3.37Å; H207-V210 PolarHBondContact O-N 2.88Å; H207-F232 PolarHBondContact CD2-O 3.44Å; H207-F232 VanDerWaalsContact CD2-O 3.27Å; H207-F232 AromaticContact NE2-CD1 3.98Å; H207-V238 WeakPolarHBondContact CA-O 3.43Å; H207-V238 VanDerWaalsContact CB-O 3.25Å; H207-V238 WeakPolarHBondContact CB-O 3.37Å |
| 208 | Q | 92.8 | Very high | 97 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.4 | -170.7 | -170.3 | -175.5 | -39.4 | 0 | 0 | 115.7 | Y127 G178 A181 V238 | Y127-Q208 VanDerWaalsContact OH-CD 3.27Å; Y127-Q208 PolarHBondContact OH-NE2 3.25Å; Y127-Q208 PolarHBondContact OH-OE1 2.83Å; G178-Q208 VanDerWaalsContact O-CG 3.26Å; G178-Q208 WeakPolarHBondContact O-CG 3.36Å; G178-Q208 PolarHBondContact O-NE2 2.95Å; A181-Q208 VanDerWaalsContact CB-O 3.24Å; A181-Q208 WeakPolarHBondContact CB-O 3.26Å; A181-Q208 PolarHBondContact N-O 2.92Å; Q208-V238 HydrophobicContact CB-CB 4.36Å; Q208-V238 PolarHBondContact N-O 2.74Å |
| 209 | D | 93 | Very high | 96.9 | Very high | 42 Ų | 42 | 25.6 Ų | 25.6 | 23% | 0.225 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 17.1 | -175 | -50.4 | -59.5 | 0 | 0 | 0 | 114.2 | G178 D180 H207 | G178-D209 VanDerWaalsContact CA-OD1 3.29Å; G178-D209 WeakPolarHBondContact CA-OD1 3.27Å; G178-D209 PolarHBondContact N-OD1 2.85Å; D180-D209 VanDerWaalsContact CB-C 3.41Å; H207-D209 VanDerWaalsContact C-N 3.32Å; H207-D209 PolarHBondContact ND1-N 3.02Å; H207-D209 PolarHBondContact O-N 2.9Å |
| 210 | V | 95.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | trans | -137.7 | 127.6 | 177.7 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | P206 H207 I212 F232 | P206-V210 HydrophobicContact CG-CB 3.99Å; P206-V210 HydrophobicContact CG-CG1 3.57Å; H207-V210 WeakPolarHBondContact CE1-CG2 3.14Å; H207-V210 WeakPolarHBondContact NE2-CG2 3.37Å; H207-V210 PolarHBondContact O-N 2.88Å; V210-I212 HydrophobicContact CG1-CD1 4.08Å; V210-I212 HydrophobicContact CG1-CG1 3.58Å; V210-F232 HydrophobicContact CG1-CD1 4.41Å; V210-F232 HydrophobicContact CG1-CG 4.35Å; V210-F232 HydrophobicContact CG2-CD1 3.93Å; V210-F232 HydrophobicContact CG2-CE1 4.2Å | ||
| 211 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | 160.5 | 167.2 | 70.4 | 0 | 0 | 0 | 108.3 | I173 D180 R183 I184 F189 V203 A204 V205 I213 | I173-L211 HydrophobicContact CB-CB 4.11Å; I173-L211 HydrophobicContact CD1-CD2 4.18Å; I173-L211 HydrophobicContact CD1-CG 4.18Å; I173-L211 HydrophobicContact CG1-CD2 4.28Å; I173-L211 PolarHBondContact N-O 3.34Å; I173-L211 PolarHBondContact O-N 2.75Å; D180-L211 VanDerWaalsContact O-CB 3.3Å; D180-L211 WeakPolarHBondContact O-CB 3.19Å; R183-L211 HydrophobicContact CB-CD2 3.69Å; I184-L211 HydrophobicContact CB-CD1 4.35Å; F189-L211 HydrophobicContact CE1-CD2 4.41Å; V203-L211 HydrophobicContact CG1-CD1 3.38Å; A204-L211 WeakPolarHBondContact O-CA 3.05Å; V205-L211 HydrophobicContact CG1-CD1 3.83Å; L211-I213 HydrophobicContact CD1-CG1 4.37Å; L211-I213 HydrophobicContact CD2-CD1 4.26Å; L211-I213 HydrophobicContact CD2-CG1 4.49Å; L211-I213 HydrophobicContact CG-CD1 4.49Å; L211-I213 HydrophobicContact CG-CG1 4.21Å |
| 212 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.1 | 175.5 | -48.7 | 175.2 | 0 | 0 | 0 | 107.4 | F170 Y171 F172 V203 A204 P206 V210 M225 F232 | F170-I212 HydrophobicContact CD1-CG2 4.43Å; Y171-I212 WeakPolarHBondContact O-CA 3.07Å; F172-I212 HydrophobicContact CD1-CD1 4.45Å; F172-I212 HydrophobicContact CD1-CG1 4.01Å; F172-I212 HydrophobicContact CD1-CG2 4.16Å; F172-I212 HydrophobicContact CE1-CD1 4.17Å; F172-I212 HydrophobicContact CE1-CG1 4.16Å; F172-I212 HydrophobicContact CE1-CG2 3.91Å; V203-I212 CarbonylContact C-O 3.39Å; V203-I212 VanDerWaalsContact CA-O 3.27Å; V203-I212 WeakPolarHBondContact CA-O 3.36Å; A204-I212 HydrophobicContact CB-CB 4.37Å; A204-I212 PolarHBondContact N-O 3.04Å; A204-I212 PolarHBondContact O-N 3.4Å; P206-I212 HydrophobicContact CG-CD1 4.32Å; V210-I212 HydrophobicContact CG1-CD1 4.08Å; V210-I212 HydrophobicContact CG1-CG1 3.58Å; I212-M225 HydrophobicContact CB-CE 4.16Å; I212-M225 HydrophobicContact CG2-CE 4.01Å; I212-M225 HydrophobicContact CG2-SD 3.91Å; I212-F232 HydrophobicContact CD1-CD2 3.73Å; I212-F232 HydrophobicContact CD1-CE2 4.1Å |
| 213 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.2 | 171.4 | -54.3 | 168.6 | 0 | 0 | 0 | 107.1 | F170 Y171 I173 F189 L190 I193 M201 L202 V203 L211 | F170-I213 CarbonylContact C-O 3.52Å; F170-I213 WeakPolarHBondContact CA-O 3.09Å; Y171-I213 HydrophobicContact CD2-CB 4.25Å; Y171-I213 HydrophobicContact CD2-CG2 4.28Å; Y171-I213 PolarHBondContact N-O 2.87Å; Y171-I213 PolarHBondContact O-N 3.39Å; I173-I213 HydrophobicContact CD1-CD1 3.97Å; I173-I213 HydrophobicContact CD1-CG1 4.32Å; F189-I213 HydrophobicContact CE1-CD1 3.74Å; F189-I213 HydrophobicContact CZ-CD1 4.11Å; L190-I213 HydrophobicContact CD2-CD1 3.49Å; L190-I213 VanDerWaalsContact CD2-CD1 3.49Å; L190-I213 HydrophobicContact CD2-CG1 4.14Å; I193-I213 HydrophobicContact CD1-CD1 3.47Å; I193-I213 VanDerWaalsContact CD1-CD1 3.47Å; I193-I213 HydrophobicContact CG2-CG2 3.8Å; M201-I213 HydrophobicContact CG-CG2 3.74Å; M201-I213 HydrophobicContact SD-CG2 3.55Å; M201-I213 VanDerWaalsContact SD-CG2 3.55Å; L202-I213 CarbonylContact O-C 3.55Å; L202-I213 WeakPolarHBondContact O-CA 3.28Å; V203-I213 HydrophobicContact CG1-CG1 4.45Å; V203-I213 HydrophobicContact CG2-CG1 4.44Å; V203-I213 HydrophobicContact CG2-CG2 4.42Å; L211-I213 HydrophobicContact CD1-CG1 4.37Å; L211-I213 HydrophobicContact CD2-CD1 4.26Å; L211-I213 HydrophobicContact CD2-CG1 4.49Å; L211-I213 HydrophobicContact CG-CD1 4.49Å; L211-I213 HydrophobicContact CG-CG1 4.21Å |
| 214 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I169 F170 M201 L202 I216 M225 | I169-A214 CarbonylContact O-C 3.52Å; I169-A214 VanDerWaalsContact O-CA 3.23Å; I169-A214 WeakPolarHBondContact O-CA 3.48Å; F170-A214 HydrophobicContact CD1-CB 3.51Å; F170-A214 HydrophobicContact CE1-CB 3.61Å; F170-A214 HydrophobicContact CG-CB 4.29Å; F170-A214 HydrophobicContact CZ-CB 4.46Å; M201-A214 CarbonylContact C-O 3.46Å; M201-A214 VanDerWaalsContact CA-O 3.29Å; M201-A214 WeakPolarHBondContact CA-O 3.43Å; L202-A214 HydrophobicContact CB-CB 4.48Å; L202-A214 PolarHBondContact N-O 3.44Å; L202-A214 PolarHBondContact O-N 3.03Å; A214-I216 HydrophobicContact CB-CD1 3.58Å; A214-I216 HydrophobicContact CB-CG1 4.2Å; A214-M225 HydrophobicContact CB-CE 4.47Å; A214-M225 HydrophobicContact CB-SD 4.02Å |
| 215 | D | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 97.7 | 166.5 | -179.8 | 2.9 | 0 | 0 | 0 | 108.6 | I169 C197 Q198 G199 R217 | I169-D215 HydrophobicContact CB-CB 4.18Å; I169-D215 PolarHBondContact N-O 3.33Å; I169-D215 PolarHBondContact O-N 2.84Å; C197-D215 WeakPolarHBondContact CA-OD2 3.44Å; C197-D215 HydrophobicContact CB-CB 4.24Å; Q198-D215 PolarHBondContact N-OD1 3.47Å; Q198-D215 PolarHBondContact N-OD2 3.42Å; G199-D215 VanDerWaalsContact CA-OD1 3.3Å; G199-D215 WeakPolarHBondContact CA-OD1 3.42Å; G199-D215 PolarHBondContact N-OD1 3.25Å; D215-R217 PolarHBondContact O-N 2.7Å; D215-R217 WeakPolarHBondContact OD1-CG 3.24Å; D215-R217 IonicContact OD1-NE 3.73Å; D215-R217 IonicContact OD2-CZ 3.9Å; D215-R217 IonicContact OD2-NE 2.78Å; D215-R217 PolarHBondContact OD2-NE 3.36Å; D215-R217 IonicContact OD2-NH2 2.98Å; D215-R217 PolarHBondContact OD2-NH2 3.3Å |
| 216 | I | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 101.1 | -176.4 | -54.3 | -55 | 0 | 0 | 0 | 110.4 | F170 G199 E200 L202 A214 N218 Y222 M225 | F170-I216 HydrophobicContact CE1-CD1 4.19Å; F170-I216 HydrophobicContact CZ-CD1 4.09Å; G199-I216 WeakPolarHBondContact CA-O 3.36Å; E200-I216 PolarHBondContact N-O 2.98Å; E200-I216 WeakPolarHBondContact O-CB 3.34Å; E200-I216 PolarHBondContact O-N 3.43Å; L202-I216 HydrophobicContact CB-CG1 4.26Å; L202-I216 HydrophobicContact CD1-CD1 4.29Å; L202-I216 HydrophobicContact CD1-CG1 3.59Å; L202-I216 HydrophobicContact CG-CG1 3.63Å; A214-I216 HydrophobicContact CB-CD1 3.58Å; A214-I216 HydrophobicContact CB-CG1 4.2Å; I216-N218 WeakPolarHBondContact CG2-O 3.3Å; I216-Y222 HydrophobicContact CB-CE2 4.44Å; I216-Y222 HydrophobicContact CG2-CD2 3.48Å; I216-Y222 VanDerWaalsContact CG2-CD2 3.48Å; I216-Y222 HydrophobicContact CG2-CE1 4.46Å; I216-Y222 HydrophobicContact CG2-CE2 3.36Å; I216-Y222 HydrophobicContact CG2-CG 4.1Å; I216-M225 HydrophobicContact CD1-CB 4.48Å |
| 217 | R | 97.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | trans | -95.3 | -14.9 | -176.3 | -57.4 | 179.7 | -175.7 | 174.1 | -5.9 | 113.2 | G167 N168 Q198 D215 | G167-R217 WeakPolarHBondContact O-CD 3.25Å; N168-R217 PolarHBondContact OD1-N 3.33Å; Q198-R217 HydrophobicContact CB-CG 4.42Å; D215-R217 PolarHBondContact O-N 2.7Å; D215-R217 WeakPolarHBondContact OD1-CG 3.24Å; D215-R217 IonicContact OD1-NE 3.73Å; D215-R217 IonicContact OD2-CZ 3.9Å; D215-R217 IonicContact OD2-NE 2.78Å; D215-R217 PolarHBondContact OD2-NE 3.36Å; D215-R217 IonicContact OD2-NH2 2.98Å; D215-R217 PolarHBondContact OD2-NH2 3.3Å | ||
| 218 | N | 96.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -150.7 | 166.8 | 178.1 | 64 | 69.7 | 0 | 0 | 0 | 112.9 | K166 N168 I216 T220 G221 | K166-N218 PolarHBondContact O-ND2 3.15Å; N168-N218 PolarHBondContact ND2-ND2 3.12Å; N168-N218 PolarHBondContact ND2-OD1 3.21Å; N168-N218 VanDerWaalsContact ND2-OD1 3.12Å; N168-N218 PolarHBondContact OD1-N 3.41Å; N168-N218 PolarHBondContact OD1-ND2 3.15Å; N168-N218 PolarHBondContact OD1-O 3.05Å; I216-N218 WeakPolarHBondContact CG2-O 3.3Å; N218-T220 PolarHBondContact O-N 2.76Å; N218-T220 VanDerWaalsContact O-N 3.1Å; N218-T220 WeakPolarHBondContact OD1-CB 3.36Å; N218-T220 PolarHBondContact OD1-N 3.13Å; N218-T220 VanDerWaalsContact OD1-N 3.08Å; N218-T220 PolarHBondContact OD1-OG1 3.25Å; N218-G221 PolarHBondContact O-N 3.27Å; N218-G221 PolarHBondContact OD1-N 3.09Å |
| 219 | K | 93.8 | Very high | 96 | Very high | 170 Ų | 170 | 36.8 Ų | 36.8 | 74% | 0.739 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -57 | -29.2 | -176.4 | -66.4 | -177.8 | -179.6 | 177 | 0 | 113.9 | G221 Y222 | K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.42Å; K219-Y222 PolarHBondContact O-N 3.09Å |
| 220 | T | 94 | Very high | 96 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 41% | 0.405 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.6 | -30.3 | 178.9 | -42 | 0 | 0 | 0 | 0 | 111.5 | K166 N218 Y222 D223 V224 | K166-T220 HydrophobicContact CB-CG2 4.18Å; K166-T220 HydrophobicContact CG-CG2 4.21Å; N218-T220 PolarHBondContact O-N 2.76Å; N218-T220 VanDerWaalsContact O-N 3.1Å; N218-T220 WeakPolarHBondContact OD1-CB 3.36Å; N218-T220 PolarHBondContact OD1-N 3.13Å; N218-T220 VanDerWaalsContact OD1-N 3.08Å; N218-T220 PolarHBondContact OD1-OG1 3.25Å; T220-Y222 VanDerWaalsContact C-N 3.26Å; T220-Y222 PolarHBondContact O-N 2.87Å; T220-D223 PolarHBondContact O-N 3.39Å; T220-V224 HydrophobicContact CG2-CG2 4.42Å; T220-V224 WeakPolarHBondContact O-CG2 3.18Å; T220-V224 PolarHBondContact O-N 2.95Å |
| 221 | G | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N168 N218 K219 V224 M225 | N168-G221 VanDerWaalsContact CG-CA 3.44Å; N168-G221 VanDerWaalsContact ND2-CA 3.35Å; N168-G221 WeakPolarHBondContact ND2-CA 3.45Å; N168-G221 PolarHBondContact ND2-N 2.9Å; N218-G221 PolarHBondContact O-N 3.27Å; N218-G221 PolarHBondContact OD1-N 3.09Å; K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.42Å; G221-V224 PolarHBondContact O-N 3.1Å; G221-M225 WeakPolarHBondContact O-CB 3.37Å; G221-M225 PolarHBondContact O-N 2.82Å |
| 222 | Y | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 45 Ų | 45 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 173.1 | -70.7 | -84.4 | 0 | 0 | 0 | 111.9 | E200 L202 I216 K219 T220 V224 M225 A226 I255 I257 | E200-Y222 VanDerWaalsContact CD-OH 3.25Å; E200-Y222 PolarHBondContact OE2-OH 2.53Å; L202-Y222 HydrophobicContact CD1-CD1 3.88Å; L202-Y222 HydrophobicContact CD1-CE1 3.94Å; L202-Y222 HydrophobicContact CD2-CE1 4.41Å; I216-Y222 HydrophobicContact CB-CE2 4.44Å; I216-Y222 HydrophobicContact CG2-CD2 3.48Å; I216-Y222 VanDerWaalsContact CG2-CD2 3.48Å; I216-Y222 HydrophobicContact CG2-CE1 4.46Å; I216-Y222 HydrophobicContact CG2-CE2 3.36Å; I216-Y222 HydrophobicContact CG2-CG 4.1Å; K219-Y222 PolarHBondContact O-N 3.09Å; T220-Y222 VanDerWaalsContact C-N 3.26Å; T220-Y222 PolarHBondContact O-N 2.87Å; Y222-V224 VanDerWaalsContact C-N 3.27Å; Y222-V224 PolarHBondContact O-N 3.42Å; Y222-M225 PolarHBondContact O-N 3.15Å; Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.95Å; Y222-I255 HydrophobicContact CD1-CD1 4.41Å; Y222-I255 HydrophobicContact CE1-CD1 4.35Å; Y222-I257 HydrophobicContact CD1-CD1 3.95Å; Y222-I257 HydrophobicContact CD1-CG1 4.17Å; Y222-I257 VanDerWaalsContact O-CD1 3.31Å; Y222-I257 WeakPolarHBondContact O-CD1 3.27Å |
| 223 | D | 94.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -39 | 179.4 | -67.7 | -44.5 | 0 | 0 | 0 | 111.3 | T220 H227 | T220-D223 PolarHBondContact O-N 3.39Å; D223-H227 WeakPolarHBondContact O-CB 3.44Å; D223-H227 PolarHBondContact O-N 3.34Å; D223-H227 VanDerWaalsContact O-N 3.11Å |
| 224 | V | 94.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111 | V165 F170 T220 G221 Y222 A226 H227 L228 | V165-V224 HydrophobicContact CB-CG1 4.39Å; V165-V224 HydrophobicContact CG1-CG1 4.14Å; V165-V224 HydrophobicContact CG1-CG2 4.04Å; F170-V224 HydrophobicContact CE1-CG1 4.06Å; F170-V224 HydrophobicContact CE2-CG1 3.89Å; F170-V224 HydrophobicContact CZ-CB 3.91Å; F170-V224 HydrophobicContact CZ-CG1 3.48Å; F170-V224 VanDerWaalsContact CZ-CG1 3.48Å; T220-V224 HydrophobicContact CG2-CG2 4.42Å; T220-V224 WeakPolarHBondContact O-CG2 3.18Å; T220-V224 PolarHBondContact O-N 2.95Å; G221-V224 PolarHBondContact O-N 3.1Å; Y222-V224 VanDerWaalsContact C-N 3.27Å; Y222-V224 PolarHBondContact O-N 3.42Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.48Å; V224-H227 PolarHBondContact O-N 3.48Å; V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.19Å; V224-L228 WeakPolarHBondContact O-CB 3.22Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.48Å |
| 225 | M | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 179.5 | -173.4 | 59.4 | 172 | 0 | 0 | 112 | F170 L202 A204 I212 A214 I216 G221 Y222 T229 S244 I257 | F170-M225 HydrophobicContact CD1-SD 4.29Å; F170-M225 HydrophobicContact CE1-CB 4.13Å; F170-M225 HydrophobicContact CE1-SD 4.03Å; L202-M225 HydrophobicContact CB-CE 4.16Å; L202-M225 HydrophobicContact CB-CG 4.36Å; L202-M225 HydrophobicContact CD1-CB 4.25Å; L202-M225 HydrophobicContact CD1-CG 3.92Å; A204-M225 HydrophobicContact CB-CE 3.43Å; A204-M225 VanDerWaalsContact CB-CE 3.43Å; I212-M225 HydrophobicContact CB-CE 4.16Å; I212-M225 HydrophobicContact CG2-CE 4.01Å; I212-M225 HydrophobicContact CG2-SD 3.91Å; A214-M225 HydrophobicContact CB-CE 4.47Å; A214-M225 HydrophobicContact CB-SD 4.02Å; I216-M225 HydrophobicContact CD1-CB 4.48Å; G221-M225 WeakPolarHBondContact O-CB 3.37Å; G221-M225 PolarHBondContact O-N 2.82Å; Y222-M225 PolarHBondContact O-N 3.15Å; M225-T229 VanDerWaalsContact O-CB 3.31Å; M225-T229 WeakPolarHBondContact O-CB 3.43Å; M225-T229 PolarHBondContact O-N 2.89Å; M225-T229 PolarHBondContact O-OG1 2.94Å; M225-S244 WeakPolarHBondContact CG-OG 3.5Å; M225-I257 HydrophobicContact CB-CD1 4.44Å |
| 226 | A | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y222 V224 M230 I257 | Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.95Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.48Å; A226-M230 WeakPolarHBondContact O-CB 3.49Å; A226-M230 PolarHBondContact O-N 2.97Å; A226-M230 VanDerWaalsContact O-N 3.07Å; A226-I257 HydrophobicContact CB-CB 3.84Å; A226-I257 HydrophobicContact CB-CD1 4.03Å; A226-I257 HydrophobicContact CB-CG2 3.89Å |
| 227 | H | 93.8 | Very high | 93.3 | Very high | 130 Ų | 130 | 67.7 Ų | 67.7 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -48 | 178.9 | -172.1 | 66.4 | 0 | 0 | 0 | 111.8 | D223 V224 M230 E231 | D223-H227 WeakPolarHBondContact O-CB 3.44Å; D223-H227 PolarHBondContact O-N 3.34Å; D223-H227 VanDerWaalsContact O-N 3.11Å; V224-H227 PolarHBondContact O-N 3.48Å; H227-M230 PolarHBondContact O-N 3.41Å; H227-E231 WeakPolarHBondContact O-CB 2.99Å; H227-E231 PolarHBondContact O-N 3.41Å |
| 228 | L | 94 | Very high | 92.8 | Very high | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 177.7 | -72.7 | 172.7 | 0 | 0 | 0 | 111.2 | F170 F172 V224 M230 E231 F232 | F170-L228 HydrophobicContact CD1-CD1 3.99Å; F170-L228 HydrophobicContact CE1-CD1 4.06Å; F172-L228 HydrophobicContact CE1-CD1 4.43Å; F172-L228 HydrophobicContact CZ-CD1 4.07Å; V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.19Å; V224-L228 WeakPolarHBondContact O-CB 3.22Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.48Å; L228-M230 VanDerWaalsContact C-N 3.32Å; L228-M230 PolarHBondContact O-N 2.83Å; L228-E231 PolarHBondContact O-N 3.17Å; L228-E231 VanDerWaalsContact O-N 3.15Å; L228-F232 VanDerWaalsContact O-CD2 3.24Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.14Å |
| 229 | T | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | A204 P206 M225 E231 F233 S242 S244 | A204-T229 HydrophobicContact CB-CG2 3.79Å; A204-T229 WeakPolarHBondContact CB-OG1 3.4Å; P206-T229 HydrophobicContact CB-CG2 4.24Å; P206-T229 WeakPolarHBondContact CB-O 3.4Å; M225-T229 VanDerWaalsContact O-CB 3.31Å; M225-T229 WeakPolarHBondContact O-CB 3.43Å; M225-T229 PolarHBondContact O-N 2.89Å; M225-T229 PolarHBondContact O-OG1 2.94Å; T229-E231 PolarHBondContact O-N 3.34Å; T229-F233 WeakPolarHBondContact O-CB 3.23Å; T229-F233 PolarHBondContact O-N 2.88Å; T229-S242 WeakPolarHBondContact CG2-O 3.37Å; T229-S244 PolarHBondContact OG1-OG 3.21Å |
| 230 | M | 93.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.9 | -176.8 | 59.4 | 71.6 | 0 | 0 | 112.2 | A226 H227 L228 F233 T234 | A226-M230 WeakPolarHBondContact O-CB 3.49Å; A226-M230 PolarHBondContact O-N 2.97Å; A226-M230 VanDerWaalsContact O-N 3.07Å; H227-M230 PolarHBondContact O-N 3.41Å; L228-M230 VanDerWaalsContact C-N 3.32Å; L228-M230 PolarHBondContact O-N 2.83Å; M230-F233 PolarHBondContact O-N 2.85Å; M230-F233 HydrophobicContact SD-CD1 4.17Å; M230-T234 HydrophobicContact CG-CG2 4.49Å; M230-T234 WeakPolarHBondContact O-CG2 3.34Å; M230-T234 PolarHBondContact O-N 2.79Å; M230-T234 PolarHBondContact O-OG1 2.73Å; M230-T234 HydrophobicContact SD-CG2 4.04Å |
| 231 | E | 94.1 | Very high | 93 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -50.4 | 179 | -175.6 | 177.8 | 175.6 | 0 | 0 | 111.5 | H227 L228 T229 F233 T234 K235 | H227-E231 WeakPolarHBondContact O-CB 2.99Å; H227-E231 PolarHBondContact O-N 3.41Å; L228-E231 PolarHBondContact O-N 3.17Å; L228-E231 VanDerWaalsContact O-N 3.15Å; T229-E231 PolarHBondContact O-N 3.34Å; E231-F233 PolarHBondContact O-N 3.24Å; E231-T234 PolarHBondContact O-N 3.16Å; E231-T234 PolarHBondContact O-OG1 3.03Å; E231-K235 HydrophobicContact CG-CD 4.14Å; E231-K235 WeakPolarHBondContact O-CG 3.49Å; E231-K235 PolarHBondContact O-N 2.96Å; E231-K235 IonicContact OE1-NZ 2.61Å; E231-K235 PolarHBondContact OE1-NZ 3.2Å |
| 232 | F | 94.2 | Very high | 92.9 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 28% | 0.281 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.3 | -78 | -74 | 0 | 0 | 0 | 111.7 | F172 P206 H207 V210 I212 L228 T234 K235 G236 | F172-F232 HydrophobicContact CD1-CE2 4.46Å; F172-F232 HydrophobicContact CE1-CE2 4.08Å; P206-F232 HydrophobicContact CB-CB 3.65Å; P206-F232 HydrophobicContact CG-CB 3.43Å; P206-F232 VanDerWaalsContact CG-CB 3.43Å; P206-F232 HydrophobicContact CG-CG 4.29Å; H207-F232 PolarHBondContact CD2-O 3.44Å; H207-F232 VanDerWaalsContact CD2-O 3.27Å; H207-F232 AromaticContact NE2-CD1 3.98Å; V210-F232 HydrophobicContact CG1-CD1 4.41Å; V210-F232 HydrophobicContact CG1-CG 4.35Å; V210-F232 HydrophobicContact CG2-CD1 3.93Å; V210-F232 HydrophobicContact CG2-CE1 4.2Å; I212-F232 HydrophobicContact CD1-CD2 3.73Å; I212-F232 HydrophobicContact CD1-CE2 4.1Å; L228-F232 VanDerWaalsContact O-CD2 3.24Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.14Å; F232-T234 VanDerWaalsContact C-N 3.31Å; F232-T234 PolarHBondContact O-N 2.83Å; F232-K235 PolarHBondContact O-N 3.07Å; F232-K235 VanDerWaalsContact O-N 3.14Å; F232-G236 PolarHBondContact O-N 2.84Å |
| 233 | F | 94.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 179.1 | 172.4 | -95.8 | 0 | 0 | 0 | 111.5 | P206 T229 M230 E231 K235 P239 T241 | P206-F233 HydrophobicContact CB-CB 4.01Å; P206-F233 WeakPolarHBondContact O-CD2 3.3Å; T229-F233 WeakPolarHBondContact O-CB 3.23Å; T229-F233 PolarHBondContact O-N 2.88Å; M230-F233 PolarHBondContact O-N 2.85Å; M230-F233 HydrophobicContact SD-CD1 4.17Å; E231-F233 PolarHBondContact O-N 3.24Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.49Å; F233-P239 HydrophobicContact CD2-CB 3.78Å; F233-P239 HydrophobicContact CE2-CB 3.56Å; F233-P239 HydrophobicContact CG-CB 4.5Å; F233-P239 HydrophobicContact CZ-CB 4.08Å; F233-T241 WeakPolarHBondContact CD2-O 3.47Å |
| 234 | T | 92.1 | Very high | 93 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -72.6 | -21.7 | -180 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | M230 E231 F232 | M230-T234 HydrophobicContact CG-CG2 4.49Å; M230-T234 WeakPolarHBondContact O-CG2 3.34Å; M230-T234 PolarHBondContact O-N 2.79Å; M230-T234 PolarHBondContact O-OG1 2.73Å; M230-T234 HydrophobicContact SD-CG2 4.04Å; E231-T234 PolarHBondContact O-N 3.16Å; E231-T234 PolarHBondContact O-OG1 3.03Å; F232-T234 VanDerWaalsContact C-N 3.31Å; F232-T234 PolarHBondContact O-N 2.83Å |
| 235 | K | 89.4 | Confident | 93.2 | Very high | 143 Ų | 143 | 52.1 Ų | 52.1 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -96 | -20.3 | -178.6 | -70.3 | 176.7 | 178.4 | 178.4 | 0 | 113.6 | E231 F232 F233 | E231-K235 HydrophobicContact CG-CD 4.14Å; E231-K235 WeakPolarHBondContact O-CG 3.49Å; E231-K235 PolarHBondContact O-N 2.96Å; E231-K235 IonicContact OE1-NZ 2.61Å; E231-K235 PolarHBondContact OE1-NZ 3.2Å; F232-K235 PolarHBondContact O-N 3.07Å; F232-K235 VanDerWaalsContact O-N 3.14Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.49Å |
| 236 | G | 81.5 | Confident | 93.3 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | trans | -67.7 | 141.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F232 V238 | F232-G236 PolarHBondContact O-N 2.84Å; G236-V238 VanDerWaalsContact C-N 3.3Å | ||
| 237 | L | 83.6 | Confident | 93.4 | Very high | 165 Ų | 165 | 51.7 Ų | 51.7 | 86% | 0.864 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -69.3 | -30.8 | 175.5 | -67.5 | 176.8 | 0 | 0 | 0 | 112.6 | ||
| 238 | V | 87.6 | Confident | 93.6 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -129.2 | 80.4 | 179.5 | -168.5 | 0 | 0 | 0 | 0 | 108.9 | R92 H207 Q208 G236 | R92-V238 VanDerWaalsContact NH1-CG1 3.28Å; H207-V238 WeakPolarHBondContact CA-O 3.43Å; H207-V238 VanDerWaalsContact CB-O 3.25Å; H207-V238 WeakPolarHBondContact CB-O 3.37Å; Q208-V238 HydrophobicContact CB-CB 4.36Å; Q208-V238 PolarHBondContact N-O 2.74Å; G236-V238 VanDerWaalsContact C-N 3.3Å |
| 239 | P | 93.5 | Very high | 93.6 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -65.1 | 146.5 | -178.3 | 26.9 | -34.1 | 0 | 0 | 0 | 111.5 | F233 | F233-P239 HydrophobicContact CD2-CB 3.78Å; F233-P239 HydrophobicContact CE2-CB 3.56Å; F233-P239 HydrophobicContact CG-CB 4.5Å; F233-P239 HydrophobicContact CZ-CB 4.08Å |
| 240 | I | 97.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | trans | -115.6 | -69.2 | -179.9 | -64.6 | 168.3 | 0 | 0 | 0 | 109.7 | I91 A93 T115 A181 V205 P206 | I91-I240 HydrophobicContact CB-CD1 4.02Å; I91-I240 HydrophobicContact CG2-CD1 4Å; I91-I240 HydrophobicContact CG2-CG2 3.84Å; I91-I240 WeakPolarHBondContact O-CD1 3.39Å; A93-I240 VanDerWaalsContact CB-O 3.28Å; A93-I240 WeakPolarHBondContact CB-O 3.23Å; T115-I240 HydrophobicContact CG2-CG2 3.63Å; A181-I240 HydrophobicContact CB-CD1 3.8Å; V205-I240 HydrophobicContact CG2-CG2 4.24Å; V205-I240 WeakPolarHBondContact O-CB 3.39Å; P206-I240 PolarHBondContact O-N 3.21Å | ||
| 241 | T | 96.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | trans | -150 | 147.6 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | E114 T115 V205 P206 F233 L243 F245 | E114-T241 HydrophobicContact CB-CG2 4.3Å; E114-T241 PolarHBondContact OE2-OG1 3.4Å; T115-T241 HydrophobicContact CG2-CG2 4.31Å; V205-T241 HydrophobicContact CG2-CG2 4.4Å; P206-T241 WeakPolarHBondContact CA-O 3.39Å; F233-T241 WeakPolarHBondContact CD2-O 3.47Å; T241-L243 VanDerWaalsContact C-N 3.31Å; T241-L243 PolarHBondContact OG1-N 2.79Å; T241-L243 VanDerWaalsContact OG1-N 3.13Å; T241-F245 HydrophobicContact CG2-CE2 3.95Å; T241-F245 HydrophobicContact CG2-CZ 3.96Å | ||
| 242 | S | 94.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86.4 | -4.3 | 172.2 | 62.5 | 0 | 0 | 0 | 0 | 113 | T229 | T229-S242 WeakPolarHBondContact CG2-O 3.37Š|
| 243 | L | 95.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | trans | -88.1 | 150.5 | 178.8 | -60.3 | -172.3 | 0 | 0 | 0 | 111.2 | E114 T241 P254 F256 | E114-L243 HydrophobicContact CG-CB 4.5Å; E114-L243 HydrophobicContact CG-CD1 3.92Å; T241-L243 VanDerWaalsContact C-N 3.31Å; T241-L243 PolarHBondContact OG1-N 2.79Å; T241-L243 VanDerWaalsContact OG1-N 3.13Å; L243-P254 HydrophobicContact CD1-CB 4.36Å; L243-F256 HydrophobicContact CD2-CD2 4.02Å | ||
| 244 | S | 97 | Very high | 93.9 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 166 | 165.2 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | V203 M225 T229 I255 | V203-S244 CarbonylContact O-C 3.46Å; V203-S244 WeakPolarHBondContact O-CA 3.47Å; M225-S244 WeakPolarHBondContact CG-OG 3.5Å; T229-S244 PolarHBondContact OG1-OG 3.21Å; S244-I255 VanDerWaalsContact O-CG1 3.24Å; S244-I255 WeakPolarHBondContact O-CG1 3.4Å; S244-I255 PolarHBondContact O-N 3.3Å |
| 245 | F | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.5 | 177.4 | -55.5 | -89.5 | 0 | 0 | 0 | 108.8 | T112 E114 T115 I184 L202 V203 V205 T241 L252 E253 P254 | T112-F245 HydrophobicContact CG2-CD1 4.14Å; T112-F245 HydrophobicContact CG2-CE1 3.84Å; T112-F245 WeakPolarHBondContact OG1-CE1 3.35Å; E114-F245 HydrophobicContact CB-CE1 4.06Å; E114-F245 HydrophobicContact CB-CZ 3.85Å; E114-F245 HydrophobicContact CG-CE1 4.41Å; E114-F245 HydrophobicContact CG-CZ 4.48Å; T115-F245 HydrophobicContact CG2-CZ 3.96Å; I184-F245 HydrophobicContact CD1-CD2 4.34Å; L202-F245 CarbonylContact C-O 3.57Å; L202-F245 VanDerWaalsContact CA-O 3.28Å; L202-F245 WeakPolarHBondContact CA-O 3.25Å; V203-F245 PolarHBondContact N-O 3.45Å; V203-F245 PolarHBondContact O-N 3.02Å; V205-F245 HydrophobicContact CG2-CE2 3.92Å; T241-F245 HydrophobicContact CG2-CE2 3.95Å; T241-F245 HydrophobicContact CG2-CZ 3.96Å; F245-L252 HydrophobicContact CB-CB 4.28Å; F245-L252 HydrophobicContact CB-CD2 3.6Å; F245-L252 HydrophobicContact CD1-CB 4.33Å; F245-L252 HydrophobicContact CG-CB 4.48Å; F245-L252 HydrophobicContact CG-CD2 4.16Å; F245-E253 CarbonylContact C-O 3.48Å; F245-E253 WeakPolarHBondContact CA-O 3.3Å; F245-P254 HydrophobicContact CD1-CB 4.28Å; F245-P254 HydrophobicContact CD1-CG 4.07Å; F245-P254 HydrophobicContact CE1-CB 4.27Å; F245-P254 HydrophobicContact CE1-CG 3.93Å |
| 246 | G | 97.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L252 E253 | G246-L252 WeakPolarHBondContact O-CA 3.22Å; G246-E253 PolarHBondContact N-O 3.42Å; G246-E253 PolarHBondContact O-N 3.27Å |
| 247 | Y | 98.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | 176.5 | -176.7 | -82.1 | 0 | 0 | 0 | 111.2 | T187 L190 N191 E194 M201 V203 G250 H251 L252 | T187-Y247 WeakPolarHBondContact CG2-OH 3.33Å; T187-Y247 PolarHBondContact O-OH 3.37Å; L190-Y247 HydrophobicContact CB-CD2 4.35Å; L190-Y247 HydrophobicContact CB-CE1 4.03Å; L190-Y247 HydrophobicContact CB-CE2 3.63Å; L190-Y247 VanDerWaalsContact CB-CZ 3.4Å; L190-Y247 WeakPolarHBondContact CB-OH 3.31Å; L190-Y247 HydrophobicContact CD1-CD2 3.81Å; L190-Y247 HydrophobicContact CD1-CE2 3.37Å; L190-Y247 HydrophobicContact CG-CE2 4.16Å; N191-Y247 WeakPolarHBondContact OD1-CE1 3.25Å; N191-Y247 PolarHBondContact OD1-OH 3.22Å; E194-Y247 HydrophobicContact CB-CD1 4.32Å; E194-Y247 HydrophobicContact CB-CE1 4.25Å; E194-Y247 HydrophobicContact CG-CD1 4.27Å; E194-Y247 WeakPolarHBondContact OE2-CE1 3.42Å; M201-Y247 HydrophobicContact CE-CD1 3.02Å; M201-Y247 HydrophobicContact CE-CD2 4.19Å; M201-Y247 HydrophobicContact CE-CE1 3.64Å; M201-Y247 HydrophobicContact CE-CG 3.3Å; M201-Y247 PolarHBondContact O-N 2.94Å; V203-Y247 HydrophobicContact CG2-CD2 4.49Å; V203-Y247 HydrophobicContact CG2-CG 4.43Å; Y247-G250 WeakPolarHBondContact OH-CA 3.49Å; Y247-G250 PolarHBondContact OH-N 2.9Å; Y247-H251 WeakPolarHBondContact CA-O 3.25Å; Y247-L252 HydrophobicContact CD2-CD2 3.71Å; Y247-L252 HydrophobicContact CD2-CG 4.03Å |
| 248 | K | 96.8 | Very high | 93.2 | Very high | 133 Ų | 133 | 57.1 Ų | 57.1 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 110.8 | 173.7 | -164.5 | 79.1 | -157.1 | 142.1 | 0 | 111.1 | E194 G250 H251 | E194-K248 WeakPolarHBondContact OE1-CD 3.32Å; E194-K248 WeakPolarHBondContact OE1-CE 3.21Å; E194-K248 IonicContact OE1-NZ 3.2Å; E194-K248 PolarHBondContact OE1-NZ 3.45Å; K248-G250 PolarHBondContact O-N 3.07Å; K248-G250 VanDerWaalsContact O-N 3.13Å; K248-H251 PolarHBondContact N-O 2.91Å; K248-H251 VanDerWaalsContact O-CB 3.28Å; K248-H251 WeakPolarHBondContact O-CB 3.22Å; K248-H251 PolarHBondContact O-N 3.12Å |
| 249 | Q | 94.2 | Very high | 92 | Very high | 158 Ų | 158 | 57.6 Ų | 57.6 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 41.6 | 173.4 | -61.2 | -177.8 | -32.7 | 0 | 0 | 114.1 | E194 | E194-Q249 PolarHBondContact OE2-N 2.74Š|
| 250 | G | 94.2 | Very high | 90.3 | Very high | 34 Ų | 34 | 61.4 Ų | 61.4 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -5.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y247 K248 | Y247-G250 WeakPolarHBondContact OH-CA 3.49Å; Y247-G250 PolarHBondContact OH-N 2.9Å; K248-G250 PolarHBondContact O-N 3.07Å; K248-G250 VanDerWaalsContact O-N 3.13Å |
| 251 | H | 96.3 | Very high | 87.9 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 53% | 0.532 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.1 | 170.9 | -173 | -89.5 | 0 | 0 | 0 | 110.8 | Y247 K248 | Y247-H251 WeakPolarHBondContact CA-O 3.25Å; K248-H251 PolarHBondContact N-O 2.91Å; K248-H251 VanDerWaalsContact O-CB 3.28Å; K248-H251 WeakPolarHBondContact O-CB 3.22Å; K248-H251 PolarHBondContact O-N 3.12Å |
| 252 | L | 97.8 | Very high | 85.3 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116.4 | 176.6 | -75.1 | 160 | 0 | 0 | 0 | 109.5 | T112 I184 V203 F245 G246 Y247 | T112-L252 HydrophobicContact CG2-CB 3.88Å; T112-L252 HydrophobicContact CG2-CD1 4.46Å; I184-L252 HydrophobicContact CD1-CD1 3.82Å; I184-L252 HydrophobicContact CD1-CD2 4.14Å; I184-L252 HydrophobicContact CG1-CD1 3.75Å; I184-L252 HydrophobicContact CG1-CD2 4.35Å; V203-L252 HydrophobicContact CB-CD2 4.3Å; F245-L252 HydrophobicContact CB-CB 4.28Å; F245-L252 HydrophobicContact CB-CD2 3.6Å; F245-L252 HydrophobicContact CD1-CB 4.33Å; F245-L252 HydrophobicContact CG-CB 4.48Å; F245-L252 HydrophobicContact CG-CD2 4.16Å; G246-L252 WeakPolarHBondContact O-CA 3.22Å; Y247-L252 HydrophobicContact CD2-CD2 3.71Å; Y247-L252 HydrophobicContact CD2-CG 4.03Å |
| 253 | E | 95.6 | Very high | 82.6 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 58% | 0.575 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121 | 177.9 | -170.9 | 171.5 | -179 | 0 | 0 | 110.3 | F245 G246 I255 | F245-E253 CarbonylContact C-O 3.48Å; F245-E253 WeakPolarHBondContact CA-O 3.3Å; G246-E253 PolarHBondContact N-O 3.42Å; G246-E253 PolarHBondContact O-N 3.27Å; E253-I255 PolarHBondContact O-N 3.24Å |
| 254 | P | 94.3 | Very high | 80.1 | Confident | 44 Ų | 44 | 87.5 Ų | 87.5 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 129.2 | 175.7 | -17.8 | 27.1 | 0 | 0 | 0 | 110.8 | A113 E114 L243 F245 | A113-P254 HydrophobicContact CB-CG 4.11Å; E114-P254 HydrophobicContact CG-CB 4.13Å; E114-P254 HydrophobicContact CG-CG 4.16Å; L243-P254 HydrophobicContact CD1-CB 4.36Å; F245-P254 HydrophobicContact CD1-CB 4.28Å; F245-P254 HydrophobicContact CD1-CG 4.07Å; F245-P254 HydrophobicContact CE1-CB 4.27Å; F245-P254 HydrophobicContact CE1-CG 3.93Å |
| 255 | I | 91.6 | Very high | 77.4 | Confident | 34 Ų | 34 | 97.2 Ų | 97.2 | 17% | 0.174 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.9 | 177.1 | 56 | 155.6 | 0 | 0 | 0 | 110.7 | L202 Y222 S244 E253 I257 | L202-I255 HydrophobicContact CD1-CD1 3.52Å; L202-I255 HydrophobicContact CD2-CD1 3.38Å; L202-I255 HydrophobicContact CD2-CG1 4.4Å; L202-I255 HydrophobicContact CG-CD1 4.04Å; Y222-I255 HydrophobicContact CD1-CD1 4.41Å; Y222-I255 HydrophobicContact CE1-CD1 4.35Å; S244-I255 VanDerWaalsContact O-CG1 3.24Å; S244-I255 WeakPolarHBondContact O-CG1 3.4Å; S244-I255 PolarHBondContact O-N 3.3Å; E253-I255 PolarHBondContact O-N 3.24Å; I255-I257 HydrophobicContact CD1-CD1 3.87Å; I255-I257 HydrophobicContact CD1-CG1 3.95Å |
| 256 | F | 85.9 | Confident | 74.9 | Confident | 153 Ų | 153 | 105.9 Ų | 105.9 | 67% | 0.671 | 52% | 0.521 | S | S | * | . | trans | -96.4 | 110.3 | 172.4 | -172.5 | -98.6 | 0 | 0 | 0 | 110 | L243 L258 | L243-F256 HydrophobicContact CD2-CD2 4.02Å; F256-L258 HydrophobicContact CD1-CD2 4.4Å; F256-L258 HydrophobicContact CD1-CG 3.98Å; F256-L258 HydrophobicContact CE1-CD2 3.72Å; F256-L258 HydrophobicContact CE1-CG 3.76Å; F256-L258 PolarHBondContact O-N 3.48Å | ||
| 257 | I | 82.9 | Confident | 72.8 | Confident | 30 Ų | 30 | 109.3 Ų | 109.3 | 15% | 0.154 | 54% | 0.537 | C | S | . | . | trans | -91.3 | 105.9 | 178 | -56.9 | 172.9 | 0 | 0 | 0 | 108.3 | L202 Y222 M225 A226 I255 G259 | L202-I257 HydrophobicContact CD1-CD1 4.3Å; Y222-I257 HydrophobicContact CD1-CD1 3.95Å; Y222-I257 HydrophobicContact CD1-CG1 4.17Å; Y222-I257 VanDerWaalsContact O-CD1 3.31Å; Y222-I257 WeakPolarHBondContact O-CD1 3.27Å; M225-I257 HydrophobicContact CB-CD1 4.44Å; A226-I257 HydrophobicContact CB-CB 3.84Å; A226-I257 HydrophobicContact CB-CD1 4.03Å; A226-I257 HydrophobicContact CB-CG2 3.89Å; I255-I257 HydrophobicContact CD1-CD1 3.87Å; I255-I257 HydrophobicContact CD1-CG1 3.95Å; I257-G259 PolarHBondContact O-N 3.12Å | ||
| 258 | L | 72.7 | Confident | 71.2 | Confident | 137 Ų | 137 | 113.2 Ų | 113.2 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | trans | -65.3 | 100.6 | 173.9 | -83.2 | 156.1 | 0 | 0 | 0 | 109.7 | F256 K260 | F256-L258 HydrophobicContact CD1-CD2 4.4Å; F256-L258 HydrophobicContact CD1-CG 3.98Å; F256-L258 HydrophobicContact CE1-CD2 3.72Å; F256-L258 HydrophobicContact CE1-CG 3.76Å; F256-L258 PolarHBondContact O-N 3.48Å; L258-K260 PolarHBondContact O-N 3.32Å | ||
| 259 | G | 61.8 | Low | 70.1 | Confident | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | trans | -53.4 | 112.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I257 N261 | I257-G259 PolarHBondContact O-N 3.12Å; G259-N261 VanDerWaalsContact C-N 3.35Å; G259-N261 PolarHBondContact O-N 3.04Å | ||
| 260 | K | 56.6 | Low | 68.9 | Low | 141 Ų | 141 | 106.8 Ų | 106.8 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | trans | -71.2 | 101.1 | 168.9 | -73.4 | -178.7 | -176.8 | 171.3 | 0 | 106.8 | L258 N262 | L258-K260 PolarHBondContact O-N 3.32Å; K260-N262 PolarHBondContact O-N 3.27Å | ||
| 261 | N | 47.8 | Very low | 67.6 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | trans | -52.5 | 101.6 | 154.1 | -91.4 | -31.1 | 0 | 0 | 0 | 106 | G259 K263 | G259-N261 VanDerWaalsContact C-N 3.35Å; G259-N261 PolarHBondContact O-N 3.04Å; N261-K263 PolarHBondContact O-N 2.91Å | ||
| 262 | N | 41.9 | Very low | 66.6 | Low | 147 Ų | 147 | 109.1 Ų | 109.1 | 79% | 0.786 | 55% | 0.546 | S | S | * | . | trans | -66.7 | 56.3 | 164.9 | -80.8 | -26.9 | 0 | 0 | 0 | 108.7 | K260 Q264 | K260-N262 PolarHBondContact O-N 3.27Å; N262-Q264 PolarHBondContact O-N 3.11Å | ||
| 263 | K | 38.5 | Very low | 65.5 | Low | 183 Ų | 183 | 117 Ų | 117 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | trans | -64.5 | 87 | 136.3 | -68 | -176.4 | -177 | 176.6 | 0 | 103.5 | N261 K265 | N261-K263 PolarHBondContact O-N 2.91Å; K263-K265 PolarHBondContact O-N 2.81Å | ||
| 264 | Q | 42.9 | Very low | 64.4 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | trans | -32.9 | 123.5 | 150.4 | -78.1 | 175.6 | -8.3 | 0 | 0 | 105.2 | N262 R266 | N262-Q264 PolarHBondContact O-N 3.11Å; Q264-R266 PolarHBondContact O-N 2.92Å | ||
| 265 | K | 40.8 | Very low | 63.7 | Low | 207 Ų | 207 | 118.6 Ų | 118.6 | 90% | 0.9 | 58% | 0.581 | S | S | * | * | trans | -46.9 | 102.3 | 164.1 | -86.4 | -179 | 172.9 | 179.2 | 0 | 103.9 | K263 D267 | K263-K265 PolarHBondContact O-N 2.81Å; K265-D267 PolarHBondContact O-N 3.39Å | ||
| 266 | R | 44.2 | Very low | 63.1 | Low | 182 Ų | 182 | 119.5 Ų | 119.5 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | trans | -55 | 116.7 | 179 | -81.1 | 179.1 | 173.4 | 175.1 | -2.7 | 102.4 | Q264 P268 I271 | Q264-R266 PolarHBondContact O-N 2.92Å; R266-P268 WeakPolarHBondContact O-CD 3.44Å; R266-I271 HydrophobicContact CB-CD1 3.91Å; R266-I271 HydrophobicContact CB-CG1 3.84Å | ||
| 267 | D | 54.5 | Low | 62.7 | Low | 80 Ų | 80 | 117.1 Ų | 117.1 | 43% | 0.428 | 59% | 0.588 | S | S | . | * | trans | -42.4 | 121.6 | 178.6 | 174.5 | -3.9 | 0 | 0 | 0 | 106.5 | K265 N269 V270 I271 | K265-D267 PolarHBondContact O-N 3.39Å; D267-N269 PolarHBondContact O-N 3.46Å; D267-N269 WeakPolarHBondContact OD1-CB 3.29Å; D267-N269 PolarHBondContact OD1-N 2.67Å; D267-N269 PolarHBondContact OD1-ND2 3.38Å; D267-V270 HydrophobicContact CB-CB 4.41Å; D267-V270 HydrophobicContact CB-CG2 3.91Å; D267-V270 WeakPolarHBondContact O-CA 3.28Å; D267-V270 WeakPolarHBondContact O-CB 3.48Å; D267-V270 PolarHBondContact O-N 3.11Å; D267-I271 PolarHBondContact O-N 2.77Å | ||
| 268 | P | 64.5 | Low | 62.2 | Low | 90 Ų | 90 | 124.3 Ų | 124.3 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -49.1 | -30 | -178.4 | -27.7 | 33.4 | 0 | 0 | 0 | 112 | R266 I271 Q272 | R266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-I271 PolarHBondContact O-N 2.9Å; P268-Q272 WeakPolarHBondContact O-CB 3.28Å; P268-Q272 WeakPolarHBondContact O-CG 3.41Å; P268-Q272 PolarHBondContact O-N 2.9Å |
| 269 | N | 74.3 | Confident | 62.6 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.2 | -32.9 | 174.2 | -67.4 | -40.7 | 0 | 0 | 0 | 113.6 | D267 R273 | D267-N269 PolarHBondContact O-N 3.46Å; D267-N269 WeakPolarHBondContact OD1-CB 3.29Å; D267-N269 PolarHBondContact OD1-N 2.67Å; D267-N269 PolarHBondContact OD1-ND2 3.38Å; N269-R273 VanDerWaalsContact O-CB 3.26Å; N269-R273 WeakPolarHBondContact O-CB 3.49Å; N269-R273 VanDerWaalsContact O-CG 3.23Å; N269-R273 WeakPolarHBondContact O-CG 3.23Å; N269-R273 PolarHBondContact O-N 3.13Å |
| 270 | V | 67.3 | Low | 63.3 | Low | 67 Ų | 67 | 130.8 Ų | 130.8 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.4 | -40.7 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | D267 R273 L274 | D267-V270 HydrophobicContact CB-CB 4.41Å; D267-V270 HydrophobicContact CB-CG2 3.91Å; D267-V270 WeakPolarHBondContact O-CA 3.28Å; D267-V270 WeakPolarHBondContact O-CB 3.48Å; D267-V270 PolarHBondContact O-N 3.11Å; V270-R273 PolarHBondContact O-N 2.97Å; V270-L274 HydrophobicContact CG1-CD1 3.91Å; V270-L274 HydrophobicContact CG1-CG 4.41Å; V270-L274 WeakPolarHBondContact O-CB 3.14Å; V270-L274 VanDerWaalsContact O-CG 3.24Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 3.32Å |
| 271 | I | 67.9 | Low | 63.8 | Low | 72 Ų | 72 | 131.8 Ų | 131.8 | 37% | 0.369 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.1 | -46.9 | 174.2 | -59.6 | -174.2 | 0 | 0 | 0 | 110 | R266 D267 P268 R273 L274 E275 | R266-I271 HydrophobicContact CB-CD1 3.91Å; R266-I271 HydrophobicContact CB-CG1 3.84Å; D267-I271 PolarHBondContact O-N 2.77Å; P268-I271 PolarHBondContact O-N 2.9Å; I271-R273 PolarHBondContact O-N 2.64Å; I271-L274 PolarHBondContact O-N 3.32Å; I271-E275 HydrophobicContact CG2-CG 4.44Å; I271-E275 WeakPolarHBondContact O-CB 3.41Å; I271-E275 WeakPolarHBondContact O-CG 3.04Å; I271-E275 PolarHBondContact O-N 3.39Å |
| 272 | Q | 74.8 | Confident | 65 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.2 | -39.9 | 176.9 | -76.9 | -177.3 | -9.1 | 0 | 0 | 112.7 | P268 E275 A276 | P268-Q272 WeakPolarHBondContact O-CB 3.28Å; P268-Q272 WeakPolarHBondContact O-CG 3.41Å; P268-Q272 PolarHBondContact O-N 2.9Å; Q272-E275 PolarHBondContact O-N 2.71Å; Q272-A276 VanDerWaalsContact O-CB 3.25Å; Q272-A276 WeakPolarHBondContact O-CB 3.45Å; Q272-A276 PolarHBondContact O-N 3.47Å |
| 273 | R | 74.7 | Confident | 66.4 | Low | 185 Ų | 185 | 131.8 Ų | 131.8 | 70% | 0.698 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -41.8 | 174.7 | -80.3 | 177.4 | 178.6 | -176.9 | 1 | 112.1 | N269 V270 I271 A276 N277 | N269-R273 VanDerWaalsContact O-CB 3.26Å; N269-R273 WeakPolarHBondContact O-CB 3.49Å; N269-R273 VanDerWaalsContact O-CG 3.23Å; N269-R273 WeakPolarHBondContact O-CG 3.23Å; N269-R273 PolarHBondContact O-N 3.13Å; V270-R273 PolarHBondContact O-N 2.97Å; I271-R273 PolarHBondContact O-N 2.64Å; R273-A276 PolarHBondContact O-N 3.48Å; R273-N277 WeakPolarHBondContact O-CB 3.42Å; R273-N277 VanDerWaalsContact O-CG 3.27Å; R273-N277 PolarHBondContact O-N 3.19Å |
| 274 | L | 73.6 | Confident | 67.6 | Low | 100 Ų | 100 | 130 Ų | 130 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66 | -40.7 | 176.6 | -74.2 | 168.1 | 0 | 0 | 0 | 111.6 | V270 I271 R278 | V270-L274 HydrophobicContact CG1-CD1 3.91Å; V270-L274 HydrophobicContact CG1-CG 4.41Å; V270-L274 WeakPolarHBondContact O-CB 3.14Å; V270-L274 VanDerWaalsContact O-CG 3.24Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 3.32Å; I271-L274 PolarHBondContact O-N 3.32Å; L274-R278 VanDerWaalsContact O-CB 3.3Å; L274-R278 WeakPolarHBondContact O-CB 3.27Å; L274-R278 PolarHBondContact O-N 2.88Å |
| 275 | E | 77.7 | Confident | 68 | Low | 102 Ų | 102 | 133.5 Ų | 133.5 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -40.4 | 175.2 | -75.6 | -173.1 | 169.6 | 0 | 0 | 112.6 | I271 Q272 R278 R279 | I271-E275 HydrophobicContact CG2-CG 4.44Å; I271-E275 WeakPolarHBondContact O-CB 3.41Å; I271-E275 WeakPolarHBondContact O-CG 3.04Å; I271-E275 PolarHBondContact O-N 3.39Å; Q272-E275 PolarHBondContact O-N 2.71Å; E275-R278 PolarHBondContact O-N 3.19Å; E275-R279 WeakPolarHBondContact O-CB 3.39Å; E275-R279 WeakPolarHBondContact O-CG 3.47Å; E275-R279 PolarHBondContact O-N 3.31Å |
| 276 | A | 79.7 | Confident | 69.3 | Low | 53 Ų | 53 | 129.9 Ų | 129.9 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q272 R273 R279 K280 | Q272-A276 VanDerWaalsContact O-CB 3.25Å; Q272-A276 WeakPolarHBondContact O-CB 3.45Å; Q272-A276 PolarHBondContact O-N 3.47Å; R273-A276 PolarHBondContact O-N 3.48Å; A276-R279 PolarHBondContact O-N 3.3Å; A276-K280 PolarHBondContact O-N 3.07Å |
| 277 | N | 77.1 | Confident | 70.7 | Confident | 102 Ų | 102 | 127.1 Ų | 127.1 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 176 | -74.3 | -12.4 | 0 | 0 | 0 | 111.9 | R273 R279 K280 F281 | R273-N277 WeakPolarHBondContact O-CB 3.42Å; R273-N277 VanDerWaalsContact O-CG 3.27Å; R273-N277 PolarHBondContact O-N 3.19Å; N277-R279 VanDerWaalsContact C-N 3.33Å; N277-R279 PolarHBondContact O-N 2.93Å; N277-K280 PolarHBondContact O-N 2.98Å; N277-F281 PolarHBondContact O-N 3Å |
| 278 | R | 74 | Confident | 71.6 | Confident | 182 Ų | 182 | 129.7 Ų | 129.7 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64 | -37 | 175.2 | -169.9 | 178.7 | 175 | -167.1 | -1.7 | 112.1 | L274 E275 F281 N282 | L274-R278 VanDerWaalsContact O-CB 3.3Å; L274-R278 WeakPolarHBondContact O-CB 3.27Å; L274-R278 PolarHBondContact O-N 2.88Å; E275-R278 PolarHBondContact O-N 3.19Å; R278-F281 PolarHBondContact O-N 3.36Å; R278-N282 PolarHBondContact O-N 2.96Å; R278-N282 VanDerWaalsContact O-N 3.12Å |
| 279 | R | 80.6 | Confident | 72 | Confident | 182 Ų | 182 | 132.1 Ų | 132.1 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.7 | -34.5 | 174.7 | -74 | 178.4 | -175.7 | -175.9 | 3.9 | 113 | E275 A276 N277 K283 | E275-R279 WeakPolarHBondContact O-CB 3.39Å; E275-R279 WeakPolarHBondContact O-CG 3.47Å; E275-R279 PolarHBondContact O-N 3.31Å; A276-R279 PolarHBondContact O-N 3.3Å; N277-R279 VanDerWaalsContact C-N 3.33Å; N277-R279 PolarHBondContact O-N 2.93Å; R279-K283 PolarHBondContact O-N 2.89Å |
| 280 | K | 75.4 | Confident | 71.8 | Confident | 152 Ų | 152 | 134.8 Ų | 134.8 | 66% | 0.661 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.5 | -48.9 | 170.6 | -89.9 | -173.3 | 171.3 | -175.8 | 0 | 111.1 | A276 N277 N282 K283 D284 | A276-K280 PolarHBondContact O-N 3.07Å; N277-K280 PolarHBondContact O-N 2.98Å; K280-N282 VanDerWaalsContact C-N 3.26Å; K280-N282 PolarHBondContact O-N 2.99Å; K280-K283 PolarHBondContact O-N 2.91Å; K280-D284 PolarHBondContact O-N 2.73Å |
| 281 | F | 67.2 | Low | 72.1 | Confident | 162 Ų | 162 | 139.3 Ų | 139.3 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64 | -28.1 | -178.4 | -121.8 | -86.1 | 0 | 0 | 0 | 114.3 | N277 R278 | N277-F281 PolarHBondContact O-N 3Å; R278-F281 PolarHBondContact O-N 3.36Å |
| 282 | N | 74.6 | Confident | 72.4 | Confident | 106 Ų | 106 | 144.1 Ų | 144.1 | 57% | 0.567 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.3 | 176.4 | -77.5 | -3 | 0 | 0 | 0 | 114.1 | R278 K280 | R278-N282 PolarHBondContact O-N 2.96Å; R278-N282 VanDerWaalsContact O-N 3.12Å; K280-N282 VanDerWaalsContact C-N 3.26Å; K280-N282 PolarHBondContact O-N 2.99Å |
| 283 | K | 70.3 | Confident | 72.2 | Confident | 182 Ų | 182 | 145.5 Ų | 145.5 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -14.5 | 173.3 | -83 | -171.3 | 173.5 | -171.5 | 0 | 113.2 | R279 K280 | R279-K283 PolarHBondContact O-N 2.89Å; K280-K283 PolarHBondContact O-N 2.91Å |
| 284 | D | 63.3 | Low | 72 | Confident | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | -98 | 16.8 | 176 | -64 | -26.8 | 0 | 0 | 0 | 112.6 | K280 | K280-D284 PolarHBondContact O-N 2.73Š| ||
| 285 | K | 51 | Low | 71.9 | Confident | 237 Ų | 237 | 146 Ų | 146 | 100% | 1.03 | 67% | 0.67 | S | S | * | * | trans | -122.7 | 0 | 167.9 | -86.5 | -169.1 | 175 | -174.4 | 0 | 109.7 |
Retrieved 285 of 285 residues in 100.3 ms
(Link to these results)