| 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 | 76.9 | Confident | 93.6 | Very high | 112 Ų | 112 | 75.3 Ų | 75.3 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | 0 | 131.8 | 0 | -176.8 | 170 | 64 | 0 | 0 | 108 | L5 A6 L9 W34 | M1-L5 HydrophobicContact CG-CB 4.08Å; M1-L5 HydrophobicContact CG-CD2 4.05Å; M1-L5 HydrophobicContact CG-CG 4.06Å; M1-L5 HydrophobicContact SD-CG 4.33Å; M1-A6 HydrophobicContact CE-CB 3.47Å; M1-A6 VanDerWaalsContact CE-CB 3.47Å; M1-A6 HydrophobicContact CG-CB 4.35Å; M1-A6 HydrophobicContact SD-CB 4.15Å; M1-L9 HydrophobicContact SD-CD2 4.07Å; M1-W34 HydrophobicContact CB-CE3 4.38Å; M1-W34 HydrophobicContact CB-CH2 4.46Å; M1-W34 HydrophobicContact CB-CZ3 4.24Å; M1-W34 HydrophobicContact CG-CE3 4.38Å; M1-W34 HydrophobicContact CG-CZ3 4.24Å; M1-W34 HydrophobicContact SD-CE3 4.42Å; M1-W34 HydrophobicContact SD-CH2 4.43Å; M1-W34 HydrophobicContact SD-CZ3 3.8Å | |||
| 2 | D | 88.2 | Confident | 94 | Very high | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -79.5 | 165.1 | 174.1 | 72.6 | 33.2 | 0 | 0 | 0 | 111.7 | K4 L5 A6 R38 | D2-K4 PolarHBondContact O-N 3.29Å; D2-K4 PolarHBondContact OD1-N 3.44Å; D2-L5 PolarHBondContact O-N 3.43Å; D2-L5 WeakPolarHBondContact OD1-CB 3.34Å; D2-L5 PolarHBondContact OD1-N 2.81Å; D2-A6 PolarHBondContact O-N 3.49Å; D2-R38 IonicContact OD2-CZ 3.08Å; D2-R38 IonicContact OD2-NH1 2.64Å; D2-R38 PolarHBondContact OD2-NH1 3.48Å; D2-R38 IonicContact OD2-NH2 2.73Å; D2-R38 PolarHBondContact OD2-NH2 3.04Å | ||
| 3 | N | 92 | Very high | 94.3 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | -175.2 | -67.7 | -5.2 | 0 | 0 | 0 | 112.6 | L5 A6 E7 | N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.41Å; N3-A6 WeakPolarHBondContact O-CB 3.44Å; N3-A6 PolarHBondContact O-N 3.06Å; N3-E7 WeakPolarHBondContact O-CG 3.18Å; N3-E7 PolarHBondContact O-N 2.91Å |
| 4 | K | 95 | Very high | 94.5 | Very high | 134 Ų | 134 | 71.3 Ų | 71.3 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | -178.3 | -169.5 | -177.4 | 178.5 | -177.6 | 0 | 111.6 | D2 S8 L42 | D2-K4 PolarHBondContact O-N 3.29Å; D2-K4 PolarHBondContact OD1-N 3.44Å; K4-S8 WeakPolarHBondContact O-CB 3.35Å; K4-S8 PolarHBondContact O-N 3.37Å; K4-L42 HydrophobicContact CD-CD2 4.26Å; K4-L42 HydrophobicContact CG-CD2 3.93Å |
| 5 | L | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -39 | 175.1 | -176.4 | 58.5 | 0 | 0 | 0 | 111.5 | M1 D2 N3 S8 L9 W34 L37 R38 L41 L42 | M1-L5 HydrophobicContact CG-CB 4.08Å; M1-L5 HydrophobicContact CG-CD2 4.05Å; M1-L5 HydrophobicContact CG-CG 4.06Å; M1-L5 HydrophobicContact SD-CG 4.33Å; D2-L5 PolarHBondContact O-N 3.43Å; D2-L5 WeakPolarHBondContact OD1-CB 3.34Å; D2-L5 PolarHBondContact OD1-N 2.81Å; N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.41Å; L5-S8 PolarHBondContact O-N 2.9Å; L5-L9 WeakPolarHBondContact O-CB 3.4Å; L5-L9 PolarHBondContact O-N 3.18Å; L5-W34 HydrophobicContact CD2-CE3 4.14Å; L5-L37 HydrophobicContact CD1-CB 4.19Å; L5-L37 HydrophobicContact CD2-CB 4.3Å; L5-R38 HydrophobicContact CD2-CG 4.03Å; L5-L41 HydrophobicContact CD1-CB 4.25Å; L5-L41 HydrophobicContact CD1-CD1 4.1Å; L5-L42 HydrophobicContact CD1-CD2 4.41Å; L5-L42 HydrophobicContact CD1-CG 4.26Å |
| 6 | A | 95.6 | Very high | 95 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 D2 N3 L9 E10 | M1-A6 HydrophobicContact CE-CB 3.47Å; M1-A6 VanDerWaalsContact CE-CB 3.47Å; M1-A6 HydrophobicContact CG-CB 4.35Å; M1-A6 HydrophobicContact SD-CB 4.15Å; D2-A6 PolarHBondContact O-N 3.49Å; N3-A6 WeakPolarHBondContact O-CB 3.44Å; N3-A6 PolarHBondContact O-N 3.06Å; A6-L9 PolarHBondContact O-N 3.44Å; A6-E10 PolarHBondContact O-N 2.93Å |
| 7 | E | 96.7 | Very high | 95.1 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 60% | 0.603 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 177.5 | -72.1 | 167.4 | -170.6 | 0 | 0 | 111.5 | N3 L9 E10 E11 | N3-E7 WeakPolarHBondContact O-CG 3.18Å; N3-E7 PolarHBondContact O-N 2.91Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.18Å; E7-E10 PolarHBondContact O-N 3.06Å; E7-E11 WeakPolarHBondContact O-CB 3.36Å; E7-E11 PolarHBondContact O-N 2.98Å |
| 8 | S | 96.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | K4 L5 W12 L41 | K4-S8 WeakPolarHBondContact O-CB 3.35Å; K4-S8 PolarHBondContact O-N 3.37Å; L5-S8 PolarHBondContact O-N 2.9Å; S8-W12 WeakPolarHBondContact O-CB 3.42Å; S8-W12 PolarHBondContact O-N 2.82Å; S8-L41 PolarHBondContact OG-O 2.73Å; S8-L41 VanDerWaalsContact OG-O 3.07Å |
| 9 | L | 97.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 173.8 | 176.9 | 64.5 | 0 | 0 | 0 | 111.6 | M1 L5 A6 E7 W12 M13 I25 K29 L41 | M1-L9 HydrophobicContact SD-CD2 4.07Å; L5-L9 WeakPolarHBondContact O-CB 3.4Å; L5-L9 PolarHBondContact O-N 3.18Å; A6-L9 PolarHBondContact O-N 3.44Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.18Å; L9-W12 PolarHBondContact O-N 3.36Å; L9-M13 HydrophobicContact CD1-CG 4.33Å; L9-M13 WeakPolarHBondContact O-CB 3.3Å; L9-M13 VanDerWaalsContact O-CG 3.24Å; L9-M13 WeakPolarHBondContact O-CG 3.3Å; L9-M13 PolarHBondContact O-N 3.36Å; L9-I25 HydrophobicContact CD1-CG2 3.29Å; L9-K29 HydrophobicContact CD2-CD 3.88Å; L9-K29 HydrophobicContact CD2-CG 4.24Å; L9-L41 HydrophobicContact CB-CD1 4.11Å; L9-L41 HydrophobicContact CD1-CD1 3.94Å |
| 10 | E | 97.5 | Very high | 95.5 | Very high | 150 Ų | 150 | 66.2 Ų | 66.2 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 176 | -174 | 174.7 | -179.6 | 0 | 0 | 111.3 | A6 E7 M13 K14 | A6-E10 PolarHBondContact O-N 2.93Å; E7-E10 PolarHBondContact O-N 3.06Å; E10-M13 CarbonylContact O-C 3.53Å; E10-M13 PolarHBondContact O-N 3.08Å; E10-K14 WeakPolarHBondContact O-CB 3.4Å; E10-K14 PolarHBondContact O-N 3.39Å |
| 11 | E | 97.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 175.4 | -174.3 | -177.4 | -117 | 0 | 0 | 111.8 | E7 M13 K14 Y15 Y60 | E7-E11 WeakPolarHBondContact O-CB 3.36Å; E7-E11 PolarHBondContact O-N 2.98Å; E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 2.88Å; E11-K14 WeakPolarHBondContact O-CB 3.24Å; E11-K14 PolarHBondContact O-N 3.27Å; E11-K14 VanDerWaalsContact O-N 3.08Å; E11-Y15 VanDerWaalsContact CD-CE2 3.48Å; E11-Y15 HydrophobicContact CG-CD2 3.53Å; E11-Y15 HydrophobicContact CG-CE2 3.21Å; E11-Y15 HydrophobicContact CG-CG 4.41Å; E11-Y15 PolarHBondContact O-N 2.64Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.34Å; E11-Y60 PolarHBondContact OE2-OH 3.45Å |
| 12 | W | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 176.5 | 177.3 | -85.5 | 0 | 0 | 0 | 111.2 | S8 L9 K14 Y15 D16 L41 G59 Y60 L66 | S8-W12 WeakPolarHBondContact O-CB 3.42Å; S8-W12 PolarHBondContact O-N 2.82Å; L9-W12 PolarHBondContact O-N 3.36Å; W12-K14 PolarHBondContact O-N 3.01Å; W12-Y15 PolarHBondContact O-N 2.9Å; W12-D16 HydrophobicContact CD2-CB 4.26Å; W12-D16 HydrophobicContact CZ2-CB 3.85Å; W12-D16 VanDerWaalsContact CZ2-OD2 3.25Å; W12-D16 WeakPolarHBondContact CZ2-OD2 3.41Å; W12-D16 PolarHBondContact NE1-OD2 3.45Å; W12-D16 WeakPolarHBondContact O-CB 3.36Å; W12-D16 PolarHBondContact O-N 2.7Å; W12-L41 HydrophobicContact CB-CD2 3.96Å; W12-L41 HydrophobicContact CD2-CD2 4.03Å; W12-L41 HydrophobicContact CE3-CD2 4.15Å; W12-L41 HydrophobicContact CG-CD2 3.91Å; W12-G59 WeakPolarHBondContact CH2-O 3.29Å; W12-G59 VanDerWaalsContact CZ2-N 3.27Å; W12-G59 WeakPolarHBondContact CZ3-O 3.46Å; W12-Y60 WeakPolarHBondContact CA-OH 3.32Å; W12-Y60 HydrophobicContact CB-CE2 4.41Å; W12-Y60 AromaticContact CE3-CD1 3.74Å; W12-Y60 HydrophobicContact CE3-CD1 3.74Å; W12-Y60 HydrophobicContact CE3-CD2 4.13Å; W12-Y60 AromaticContact CE3-CE1 3.47Å; W12-Y60 HydrophobicContact CE3-CE1 3.47Å; W12-Y60 VanDerWaalsContact CE3-CE1 3.47Å; W12-Y60 AromaticContact CE3-CE2 3.88Å; W12-Y60 HydrophobicContact CE3-CE2 3.88Å; W12-Y60 HydrophobicContact CE3-CG 4.06Å; W12-Y60 AromaticContact CE3-CZ 3.55Å; W12-Y60 AromaticContact CZ3-CD1 3.62Å; W12-Y60 HydrophobicContact CZ3-CD1 3.62Å; W12-Y60 AromaticContact CZ3-CE1 3.7Å; W12-Y60 HydrophobicContact CZ3-CE1 3.7Å; W12-Y60 HydrophobicContact CZ3-CG 4.11Å; W12-Y60 PolarHBondContact N-OH 2.92Å; W12-L66 HydrophobicContact CD2-CD2 4.41Å; W12-L66 HydrophobicContact CE3-CD2 3.88Å; W12-L66 HydrophobicContact CH2-CB 4.27Å; W12-L66 HydrophobicContact CH2-CD2 4.13Å; W12-L66 HydrophobicContact CZ3-CB 4.49Å; W12-L66 HydrophobicContact CZ3-CD2 3.72Å; W12-L66 HydrophobicContact CZ3-CG 4.47Å |
| 13 | M | 97.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.1 | -19 | 179.4 | -66.9 | -53 | -57.3 | 0 | 0 | 113.4 | L9 E10 E11 R22 I25 K26 | L9-M13 HydrophobicContact CD1-CG 4.33Å; L9-M13 WeakPolarHBondContact O-CB 3.3Å; L9-M13 VanDerWaalsContact O-CG 3.24Å; L9-M13 WeakPolarHBondContact O-CG 3.3Å; L9-M13 PolarHBondContact O-N 3.36Å; E10-M13 CarbonylContact O-C 3.53Å; E10-M13 PolarHBondContact O-N 3.08Å; E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 2.88Å; M13-R22 HydrophobicContact CE-CB 4.13Å; M13-R22 HydrophobicContact CE-CG 4.26Å; M13-R22 PolarHBondContact O-NH1 3.34Å; M13-I25 HydrophobicContact SD-CG2 4.19Å; M13-K26 HydrophobicContact CE-CD 4.38Å; M13-K26 VanDerWaalsContact CE-CE 3.41Å; M13-K26 HydrophobicContact CE-CG 4.18Å |
| 14 | K | 97.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 58.2 Ų | 58.2 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -78.6 | -44.8 | 169.7 | -178.4 | -170.8 | 168.5 | -158.2 | 0 | 111.3 | E10 E11 W12 E185 | E10-K14 WeakPolarHBondContact O-CB 3.4Å; E10-K14 PolarHBondContact O-N 3.39Å; E11-K14 WeakPolarHBondContact O-CB 3.24Å; E11-K14 PolarHBondContact O-N 3.27Å; E11-K14 VanDerWaalsContact O-N 3.08Å; W12-K14 PolarHBondContact O-N 3.01Å; K14-E185 IonicContact NZ-OE1 2.8Å; K14-E185 PolarHBondContact NZ-OE1 3.32Å |
| 15 | Y | 98.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 11% | 0.114 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -87.8 | -42 | -170.5 | -66.4 | -20.7 | 0 | 0 | 0 | 114.4 | E11 W12 E185 P186 W191 | E11-Y15 VanDerWaalsContact CD-CE2 3.48Å; E11-Y15 HydrophobicContact CG-CD2 3.53Å; E11-Y15 HydrophobicContact CG-CE2 3.21Å; E11-Y15 HydrophobicContact CG-CG 4.41Å; E11-Y15 PolarHBondContact O-N 2.64Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.34Å; W12-Y15 PolarHBondContact O-N 2.9Å; Y15-E185 HydrophobicContact CD1-CG 4.3Å; Y15-E185 HydrophobicContact CE1-CB 3.97Å; Y15-E185 HydrophobicContact CE1-CG 3.67Å; Y15-P186 HydrophobicContact CD1-CG 4.38Å; Y15-P186 HydrophobicContact CG-CG 4.32Å; Y15-W191 WeakPolarHBondContact O-CZ2 3.44Å |
| 16 | D | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -72.7 | 131.6 | -178.2 | -174 | 24.2 | 0 | 0 | 0 | 110.3 | W12 N18 T21 R22 L66 | W12-D16 HydrophobicContact CD2-CB 4.26Å; W12-D16 HydrophobicContact CZ2-CB 3.85Å; W12-D16 VanDerWaalsContact CZ2-OD2 3.25Å; W12-D16 WeakPolarHBondContact CZ2-OD2 3.41Å; W12-D16 PolarHBondContact NE1-OD2 3.45Å; W12-D16 WeakPolarHBondContact O-CB 3.36Å; W12-D16 PolarHBondContact O-N 2.7Å; D16-N18 PolarHBondContact OD1-N 3.07Å; D16-T21 WeakPolarHBondContact OD2-CB 3.22Å; D16-T21 PolarHBondContact OD2-OG1 3.25Å; D16-R22 HydrophobicContact CB-CG 4.2Å; D16-R22 VanDerWaalsContact O-CD 3.29Å; D16-R22 WeakPolarHBondContact O-CD 3.35Å; D16-R22 PolarHBondContact O-NH1 3.36Å; D16-R22 WeakPolarHBondContact OD2-CG 3.42Å; D16-R22 PolarHBondContact OD2-N 3.14Å; D16-L66 HydrophobicContact CB-CD2 3.91Å | ||
| 17 | K | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 58.1 Ų | 58.1 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | trans | -115.1 | -0.2 | 175.3 | -61.9 | -171.7 | -178.2 | 170.3 | 0 | 113.4 | E19 E188 W191 | K17-E19 PolarHBondContact O-N 3.34Å; K17-E188 IonicContact NZ-OE1 2.82Å; K17-E188 PolarHBondContact NZ-OE1 3.47Å; K17-E188 IonicContact NZ-OE2 3.31Å; K17-E188 PolarHBondContact NZ-OE2 2.79Å; K17-W191 HydrophobicContact CB-CD2 3.88Å; K17-W191 HydrophobicContact CB-CE3 3.83Å; K17-W191 HydrophobicContact CB-CH2 4.02Å; K17-W191 HydrophobicContact CB-CZ2 4.07Å; K17-W191 HydrophobicContact CB-CZ3 3.89Å; K17-W191 HydrophobicContact CD-CD2 3.91Å; K17-W191 HydrophobicContact CD-CG 3.86Å; K17-W191 HydrophobicContact CG-CD2 4.1Å; K17-W191 HydrophobicContact CG-CZ2 4.07Å; K17-W191 VanDerWaalsContact N-CH2 3.27Å | ||
| 18 | N | 97.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -79.5 | 110.5 | 174.5 | -178.9 | -34.8 | 0 | 0 | 0 | 109.7 | D16 S20 T21 R22 D65 | D16-N18 PolarHBondContact OD1-N 3.07Å; N18-S20 PolarHBondContact O-N 2.91Å; N18-S20 VanDerWaalsContact O-N 3.17Å; N18-S20 VanDerWaalsContact OD1-CB 3.24Å; N18-S20 WeakPolarHBondContact OD1-CB 3.38Å; N18-S20 PolarHBondContact OD1-N 3.33Å; N18-T21 WeakPolarHBondContact CB-OG1 3.4Å; N18-T21 PolarHBondContact O-N 2.83Å; N18-T21 PolarHBondContact O-OG1 2.95Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; N18-R22 WeakPolarHBondContact O-CB 3.47Å; N18-R22 WeakPolarHBondContact O-CD 3.3Å; N18-R22 VanDerWaalsContact O-CG 3.24Å; N18-R22 WeakPolarHBondContact O-CG 3.41Å; N18-R22 PolarHBondContact O-N 3.28Å; N18-D65 WeakPolarHBondContact CB-OD2 3.28Å; N18-D65 PolarHBondContact ND2-OD2 3.28Å | ||
| 19 | E | 97.6 | Very high | 97.8 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -25.3 | -176.4 | -72 | -57 | 134.1 | 0 | 0 | 113.8 | K17 R22 S23 | K17-E19 PolarHBondContact O-N 3.34Å; E19-R22 VanDerWaalsContact OE1-CD 3.3Å; E19-R22 WeakPolarHBondContact OE1-CD 3.15Å; E19-R22 IonicContact OE1-NE 2.58Å; E19-R22 PolarHBondContact OE1-NE 2.92Å; E19-R22 IonicContact OE2-NE 2.7Å; E19-S23 WeakPolarHBondContact O-CB 3.41Å; E19-S23 PolarHBondContact O-N 3.41Å; E19-S23 PolarHBondContact O-OG 3.46Å |
| 20 | S | 97.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.6 | -50 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | N18 S23 Q24 | N18-S20 PolarHBondContact O-N 2.91Å; N18-S20 VanDerWaalsContact O-N 3.17Å; N18-S20 VanDerWaalsContact OD1-CB 3.24Å; N18-S20 WeakPolarHBondContact OD1-CB 3.38Å; N18-S20 PolarHBondContact OD1-N 3.33Å; S20-S23 PolarHBondContact O-N 3.06Å; S20-Q24 WeakPolarHBondContact O-CG 3.35Å; S20-Q24 PolarHBondContact O-N 3.43Å; S20-Q24 VanDerWaalsContact O-N 3.13Å; S20-Q24 PolarHBondContact O-NE2 3.36Å; S20-Q24 PolarHBondContact OG-NE2 3.13Å |
| 21 | T | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 180 | 42.7 | 0 | 0 | 0 | 0 | 111.8 | D16 N18 S23 Q24 I25 P58 N64 | D16-T21 WeakPolarHBondContact OD2-CB 3.22Å; D16-T21 PolarHBondContact OD2-OG1 3.25Å; N18-T21 WeakPolarHBondContact CB-OG1 3.4Å; N18-T21 PolarHBondContact O-N 2.83Å; N18-T21 PolarHBondContact O-OG1 2.95Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; T21-S23 VanDerWaalsContact C-N 3.35Å; T21-S23 PolarHBondContact O-N 3.18Å; T21-Q24 PolarHBondContact O-N 2.7Å; T21-I25 PolarHBondContact O-N 3.22Å; T21-I25 VanDerWaalsContact O-N 3.09Å; T21-P58 HydrophobicContact CG2-CB 4.16Å; T21-N64 HydrophobicContact CG2-CB 4.23Å |
| 22 | R | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 67.1 Ų | 67.1 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 170.8 | -68.7 | 167.5 | 69.9 | 70.7 | 0.9 | 112 | M13 D16 N18 E19 Q24 I25 K26 | M13-R22 HydrophobicContact CE-CB 4.13Å; M13-R22 HydrophobicContact CE-CG 4.26Å; M13-R22 PolarHBondContact O-NH1 3.34Å; D16-R22 HydrophobicContact CB-CG 4.2Å; D16-R22 VanDerWaalsContact O-CD 3.29Å; D16-R22 WeakPolarHBondContact O-CD 3.35Å; D16-R22 PolarHBondContact O-NH1 3.36Å; D16-R22 WeakPolarHBondContact OD2-CG 3.42Å; D16-R22 PolarHBondContact OD2-N 3.14Å; N18-R22 WeakPolarHBondContact O-CB 3.47Å; N18-R22 WeakPolarHBondContact O-CD 3.3Å; N18-R22 VanDerWaalsContact O-CG 3.24Å; N18-R22 WeakPolarHBondContact O-CG 3.41Å; N18-R22 PolarHBondContact O-N 3.28Å; E19-R22 VanDerWaalsContact OE1-CD 3.3Å; E19-R22 WeakPolarHBondContact OE1-CD 3.15Å; E19-R22 IonicContact OE1-NE 2.58Å; E19-R22 PolarHBondContact OE1-NE 2.92Å; E19-R22 IonicContact OE2-NE 2.7Å; R22-Q24 VanDerWaalsContact C-N 3.34Å; R22-Q24 PolarHBondContact O-N 3.47Å; R22-I25 PolarHBondContact O-N 2.94Å; R22-K26 WeakPolarHBondContact O-CG 3.27Å; R22-K26 PolarHBondContact O-N 3.23Å |
| 23 | S | 98.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 68.3 Ų | 68.3 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 180 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | E19 S20 T21 K26 L27 | E19-S23 WeakPolarHBondContact O-CB 3.41Å; E19-S23 PolarHBondContact O-N 3.41Å; E19-S23 PolarHBondContact O-OG 3.46Å; S20-S23 PolarHBondContact O-N 3.06Å; T21-S23 VanDerWaalsContact C-N 3.35Å; T21-S23 PolarHBondContact O-N 3.18Å; S23-K26 PolarHBondContact O-N 2.92Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.48Å |
| 24 | Q | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 69.6 Ų | 69.6 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.5 | -69.7 | 172.3 | 62.2 | 0 | 0 | 112 | S20 T21 R22 L27 L28 P58 | S20-Q24 WeakPolarHBondContact O-CG 3.35Å; S20-Q24 PolarHBondContact O-N 3.43Å; S20-Q24 VanDerWaalsContact O-N 3.13Å; S20-Q24 PolarHBondContact O-NE2 3.36Å; S20-Q24 PolarHBondContact OG-NE2 3.13Å; T21-Q24 PolarHBondContact O-N 2.7Å; R22-Q24 VanDerWaalsContact C-N 3.34Å; R22-Q24 PolarHBondContact O-N 3.47Å; Q24-L27 PolarHBondContact O-N 2.74Å; Q24-L28 WeakPolarHBondContact O-CG 3.45Å; Q24-L28 PolarHBondContact O-N 2.85Å; Q24-P58 HydrophobicContact CB-CB 4.27Å; Q24-P58 HydrophobicContact CB-CG 3.89Å |
| 25 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.1 | -67.4 | -58.8 | 0 | 0 | 0 | 111.8 | L9 M13 T21 R22 L27 L28 K29 L37 L40 L41 P58 | L9-I25 HydrophobicContact CD1-CG2 3.29Å; M13-I25 HydrophobicContact SD-CG2 4.19Å; T21-I25 PolarHBondContact O-N 3.22Å; T21-I25 VanDerWaalsContact O-N 3.09Å; R22-I25 PolarHBondContact O-N 2.94Å; I25-L27 PolarHBondContact O-N 3.25Å; I25-L28 PolarHBondContact O-N 3.28Å; I25-K29 PolarHBondContact O-N 3.4Å; I25-L37 HydrophobicContact CD1-CD2 4.06Å; I25-L37 HydrophobicContact CG2-CD2 4.22Å; I25-L40 HydrophobicContact CD1-CD1 4.38Å; I25-L41 HydrophobicContact CD1-CD2 4.12Å; I25-L41 HydrophobicContact CD1-CG 4.5Å; I25-P58 HydrophobicContact CD1-CB 3.75Å; I25-P58 HydrophobicContact CD1-CG 4.09Å; I25-P58 HydrophobicContact CG1-CB 3.77Å; I25-P58 HydrophobicContact CG1-CG 4.5Å |
| 26 | K | 98 | Very high | 97.4 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 175.8 | -72.6 | 173.9 | -175.7 | 171.6 | 0 | 111.5 | M13 R22 S23 L28 K29 E30 | M13-K26 HydrophobicContact CE-CD 4.38Å; M13-K26 VanDerWaalsContact CE-CE 3.41Å; M13-K26 HydrophobicContact CE-CG 4.18Å; R22-K26 WeakPolarHBondContact O-CG 3.27Å; R22-K26 PolarHBondContact O-N 3.23Å; S23-K26 PolarHBondContact O-N 2.92Å; K26-L28 PolarHBondContact O-N 2.58Å; K26-K29 WeakPolarHBondContact O-CB 3.5Å; K26-K29 PolarHBondContact O-N 3.11Å; K26-E30 WeakPolarHBondContact O-CG 3.29Å; K26-E30 PolarHBondContact O-N 3.24Å |
| 27 | L | 98.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 179 | -177.4 | 63.6 | 0 | 0 | 0 | 112.4 | S23 Q24 I25 K29 E30 K31 | S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.48Å; Q24-L27 PolarHBondContact O-N 2.74Å; I25-L27 PolarHBondContact O-N 3.25Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 2.91Å; L27-E30 PolarHBondContact O-N 2.76Å; L27-K31 HydrophobicContact CD1-CD 4.39Å; L27-K31 HydrophobicContact CG-CD 4.27Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 WeakPolarHBondContact O-CG 3.33Å; L27-K31 PolarHBondContact O-N 2.68Å |
| 28 | L | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 175.7 | -71.2 | 174.6 | 0 | 0 | 0 | 111.8 | Q24 I25 K26 K31 E32 A33 E36 L37 L40 | Q24-L28 WeakPolarHBondContact O-CG 3.45Å; Q24-L28 PolarHBondContact O-N 2.85Å; I25-L28 PolarHBondContact O-N 3.28Å; K26-L28 PolarHBondContact O-N 2.58Å; L28-K31 PolarHBondContact O-N 3.25Å; L28-E32 PolarHBondContact O-N 2.7Å; L28-A33 HydrophobicContact CB-CB 4.36Å; L28-A33 HydrophobicContact CD2-CB 3.9Å; L28-A33 PolarHBondContact O-N 2.98Å; L28-E36 HydrophobicContact CD1-CG 4.16Å; L28-E36 HydrophobicContact CD2-CG 4.28Å; L28-E36 VanDerWaalsContact CD2-OE2 3.29Å; L28-E36 WeakPolarHBondContact CD2-OE2 3.3Å; L28-L37 HydrophobicContact CB-CD1 4.36Å; L28-L37 HydrophobicContact CB-CD2 3.79Å; L28-L37 HydrophobicContact CB-CG 3.92Å; L28-L37 HydrophobicContact CD1-CD2 4.19Å; L28-L40 HydrophobicContact CD1-CD1 3.51Å |
| 29 | K | 96.6 | Very high | 97.2 | Very high | 102 Ų | 102 | 78 Ų | 78 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 173.9 | -172.7 | -164.6 | -172.5 | 174.5 | 0 | 111.7 | L9 I25 K26 L27 K31 E32 W34 L37 | L9-K29 HydrophobicContact CD2-CD 3.88Å; L9-K29 HydrophobicContact CD2-CG 4.24Å; I25-K29 PolarHBondContact O-N 3.4Å; K26-K29 WeakPolarHBondContact O-CB 3.5Å; K26-K29 PolarHBondContact O-N 3.11Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 2.91Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.48Å; K29-E32 PolarHBondContact O-N 2.89Å; K29-W34 HydrophobicContact CG-CH2 4.11Å; K29-W34 HydrophobicContact CG-CZ3 4.2Å; K29-L37 HydrophobicContact CB-CD1 4.3Å |
| 30 | E | 97 | Very high | 97.2 | Very high | 147 Ų | 147 | 73.6 Ų | 73.6 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.2 | -34.9 | 178.2 | -73.3 | 168.8 | -171.3 | 0 | 0 | 112.4 | K26 L27 E32 | K26-E30 WeakPolarHBondContact O-CG 3.29Å; K26-E30 PolarHBondContact O-N 3.24Å; L27-E30 PolarHBondContact O-N 2.76Å; E30-E32 PolarHBondContact O-N 3.38Å |
| 31 | K | 97.5 | Very high | 97.2 | Very high | 146 Ų | 146 | 70.4 Ų | 70.4 | 64% | 0.635 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 2.1 | 175.1 | -70.3 | 179.3 | 178.1 | 179.2 | 0 | 114.1 | L27 L28 K29 A33 | L27-K31 HydrophobicContact CD1-CD 4.39Å; L27-K31 HydrophobicContact CG-CD 4.27Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 WeakPolarHBondContact O-CG 3.33Å; L27-K31 PolarHBondContact O-N 2.68Å; L28-K31 PolarHBondContact O-N 3.25Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.48Å; K31-A33 PolarHBondContact O-N 3.4Å; K31-A33 VanDerWaalsContact O-N 3.14Å |
| 32 | E | 96.4 | Very high | 97.1 | Very high | 137 Ų | 137 | 72.1 Ų | 72.1 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.2 | -175.4 | -58.4 | -165.9 | 165.5 | 0 | 0 | 113.4 | L28 K29 E30 W34 | L28-E32 PolarHBondContact O-N 2.7Å; K29-E32 PolarHBondContact O-N 2.89Å; E30-E32 PolarHBondContact O-N 3.38Å; E32-W34 HydrophobicContact CB-CZ2 4.01Å; E32-W34 HydrophobicContact CG-CZ2 3.92Å; E32-W34 PolarHBondContact O-N 3Å; E32-W34 PolarHBondContact O-NE1 3.17Å |
| 33 | A | 96.9 | Very high | 96.7 | Very high | 26 Ų | 26 | 76 Ų | 76 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | trans | -77.7 | 59 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L28 K31 D35 E36 L37 | L28-A33 HydrophobicContact CB-CB 4.36Å; L28-A33 HydrophobicContact CD2-CB 3.9Å; L28-A33 PolarHBondContact O-N 2.98Å; K31-A33 PolarHBondContact O-N 3.4Å; K31-A33 VanDerWaalsContact O-N 3.14Å; A33-D35 PolarHBondContact O-N 3.24Å; A33-E36 HydrophobicContact CB-CB 4.4Å; A33-E36 PolarHBondContact O-N 3.33Å; A33-L37 PolarHBondContact O-N 3.39Å | ||
| 34 | W | 96.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | -168.3 | -56.2 | 119.3 | 0 | 0 | 0 | 113.8 | M1 L5 K29 E32 L37 R38 | M1-W34 HydrophobicContact CB-CE3 4.38Å; M1-W34 HydrophobicContact CB-CH2 4.46Å; M1-W34 HydrophobicContact CB-CZ3 4.24Å; M1-W34 HydrophobicContact CG-CE3 4.38Å; M1-W34 HydrophobicContact CG-CZ3 4.24Å; M1-W34 HydrophobicContact SD-CE3 4.42Å; M1-W34 HydrophobicContact SD-CH2 4.43Å; M1-W34 HydrophobicContact SD-CZ3 3.8Å; L5-W34 HydrophobicContact CD2-CE3 4.14Å; K29-W34 HydrophobicContact CG-CH2 4.11Å; K29-W34 HydrophobicContact CG-CZ3 4.2Å; E32-W34 HydrophobicContact CB-CZ2 4.01Å; E32-W34 HydrophobicContact CG-CZ2 3.92Å; E32-W34 PolarHBondContact O-N 3Å; E32-W34 PolarHBondContact O-NE1 3.17Å; W34-L37 HydrophobicContact CE3-CD1 3.78Å; W34-L37 HydrophobicContact CZ3-CD1 3.87Å; W34-L37 PolarHBondContact O-N 3.05Å; W34-R38 WeakPolarHBondContact O-CG 3.24Å; W34-R38 PolarHBondContact O-N 3.38Å |
| 35 | D | 95.3 | Very high | 96.2 | Very high | 118 Ų | 118 | 74.8 Ų | 74.8 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.1 | -36.8 | 179.6 | -69.7 | -22.8 | 0 | 0 | 0 | 112.3 | A33 R38 K39 | A33-D35 PolarHBondContact O-N 3.24Å; D35-R38 PolarHBondContact O-N 2.95Å; D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.33Å |
| 36 | E | 95.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 79.1 Ų | 79.1 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.3 | -45 | 174.5 | -171 | 170.8 | 179.9 | 0 | 0 | 110.5 | L28 A33 R38 K39 L40 | L28-E36 HydrophobicContact CD1-CG 4.16Å; L28-E36 HydrophobicContact CD2-CG 4.28Å; L28-E36 VanDerWaalsContact CD2-OE2 3.29Å; L28-E36 WeakPolarHBondContact CD2-OE2 3.3Å; A33-E36 HydrophobicContact CB-CB 4.4Å; A33-E36 PolarHBondContact O-N 3.33Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.36Å; E36-K39 PolarHBondContact O-N 3.09Å; E36-L40 HydrophobicContact CG-CD1 4.01Å; E36-L40 HydrophobicContact CG-CG 4.5Å; E36-L40 VanDerWaalsContact O-CG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 2.93Å |
| 37 | L | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 174.2 | -75.5 | 172.3 | 0 | 0 | 0 | 112.7 | L5 I25 L28 K29 A33 W34 L40 L41 | L5-L37 HydrophobicContact CD1-CB 4.19Å; L5-L37 HydrophobicContact CD2-CB 4.3Å; I25-L37 HydrophobicContact CD1-CD2 4.06Å; I25-L37 HydrophobicContact CG2-CD2 4.22Å; L28-L37 HydrophobicContact CB-CD1 4.36Å; L28-L37 HydrophobicContact CB-CD2 3.79Å; L28-L37 HydrophobicContact CB-CG 3.92Å; L28-L37 HydrophobicContact CD1-CD2 4.19Å; K29-L37 HydrophobicContact CB-CD1 4.3Å; A33-L37 PolarHBondContact O-N 3.39Å; W34-L37 HydrophobicContact CE3-CD1 3.78Å; W34-L37 HydrophobicContact CZ3-CD1 3.87Å; W34-L37 PolarHBondContact O-N 3.05Å; L37-L40 PolarHBondContact O-N 3.49Å; L37-L41 HydrophobicContact CD2-CD1 4.04Å; L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.09Å |
| 38 | R | 97.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 35% | 0.347 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -49 | 174.4 | -74.8 | 175.4 | -174.5 | -83.2 | -5.3 | 111.5 | D2 L5 W34 D35 E36 L40 L41 L42 | D2-R38 IonicContact OD2-CZ 3.08Å; D2-R38 IonicContact OD2-NH1 2.64Å; D2-R38 PolarHBondContact OD2-NH1 3.48Å; D2-R38 IonicContact OD2-NH2 2.73Å; D2-R38 PolarHBondContact OD2-NH2 3.04Å; L5-R38 HydrophobicContact CD2-CG 4.03Å; W34-R38 WeakPolarHBondContact O-CG 3.24Å; W34-R38 PolarHBondContact O-N 3.38Å; D35-R38 PolarHBondContact O-N 2.95Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.36Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.94Å; R38-L41 PolarHBondContact O-N 3.04Å; R38-L42 HydrophobicContact CB-CD1 4.23Å; R38-L42 HydrophobicContact CG-CD1 3.98Å; R38-L42 VanDerWaalsContact O-CB 3.3Å; R38-L42 WeakPolarHBondContact O-CB 3.41Å; R38-L42 PolarHBondContact O-N 3Å |
| 39 | K | 94.9 | Very high | 93.2 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63 | -34.9 | 179.2 | -69 | 174.5 | -177 | 176 | 0 | 112.4 | D35 E36 S61 | D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.33Å; E36-K39 PolarHBondContact O-N 3.09Å; K39-S61 VanDerWaalsContact O-CB 3.28Å; K39-S61 WeakPolarHBondContact O-CB 3.26Å; K39-S61 PolarHBondContact O-OG 2.88Å |
| 40 | L | 97.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.6 | -38.6 | -179.1 | -65.6 | 173.5 | 0 | 0 | 0 | 112.8 | I25 L28 E36 L37 R38 P58 G59 Y60 S61 Q62 | I25-L40 HydrophobicContact CD1-CD1 4.38Å; L28-L40 HydrophobicContact CD1-CD1 3.51Å; E36-L40 HydrophobicContact CG-CD1 4.01Å; E36-L40 HydrophobicContact CG-CG 4.5Å; E36-L40 VanDerWaalsContact O-CG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 2.93Å; L37-L40 PolarHBondContact O-N 3.49Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.94Å; L40-P58 HydrophobicContact CD1-CG 4.23Å; L40-P58 WeakPolarHBondContact CD2-O 3.5Å; L40-G59 CarbonylContact O-C 3.43Å; L40-G59 WeakPolarHBondContact O-CA 3.48Å; L40-Y60 PolarHBondContact O-N 3.47Å; L40-S61 WeakPolarHBondContact CA-OG 3.48Å; L40-S61 PolarHBondContact O-N 3.39Å; L40-Q62 HydrophobicContact CD2-CG 3.63Å |
| 41 | L | 97.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -105.9 | -32 | -167.7 | -61.3 | 177.7 | 0 | 0 | 0 | 114.3 | L5 S8 L9 W12 I25 L37 R38 Y60 | L5-L41 HydrophobicContact CD1-CB 4.25Å; L5-L41 HydrophobicContact CD1-CD1 4.1Å; S8-L41 PolarHBondContact OG-O 2.73Å; S8-L41 VanDerWaalsContact OG-O 3.07Å; L9-L41 HydrophobicContact CB-CD1 4.11Å; L9-L41 HydrophobicContact CD1-CD1 3.94Å; W12-L41 HydrophobicContact CB-CD2 3.96Å; W12-L41 HydrophobicContact CD2-CD2 4.03Å; W12-L41 HydrophobicContact CE3-CD2 4.15Å; W12-L41 HydrophobicContact CG-CD2 3.91Å; I25-L41 HydrophobicContact CD1-CD2 4.12Å; I25-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CD2-CD1 4.04Å; L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.09Å; R38-L41 PolarHBondContact O-N 3.04Å; L41-Y60 WeakPolarHBondContact O-CD2 3.41Å |
| 42 | L | 95.9 | Very high | 92 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15.8 | -175.3 | -58.9 | -174.4 | 0 | 0 | 0 | 113.8 | K4 L5 R38 | K4-L42 HydrophobicContact CD-CD2 4.26Å; K4-L42 HydrophobicContact CG-CD2 3.93Å; L5-L42 HydrophobicContact CD1-CD2 4.41Å; L5-L42 HydrophobicContact CD1-CG 4.26Å; R38-L42 HydrophobicContact CB-CD1 4.23Å; R38-L42 HydrophobicContact CG-CD1 3.98Å; R38-L42 VanDerWaalsContact O-CB 3.3Å; R38-L42 WeakPolarHBondContact O-CB 3.41Å; R38-L42 PolarHBondContact O-N 3Å |
| 43 | E | 90.2 | Very high | 91.9 | Very high | 123 Ų | 123 | 56.7 Ų | 56.7 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | trans | -109.1 | 128.5 | 177.8 | -65.6 | 179.7 | -167.9 | 0 | 0 | 109.3 | Y60 S61 | E43-Y60 CarbonylContact O-C 3.46Å; E43-S61 WeakPolarHBondContact O-CA 3.02Å; E43-S61 VanDerWaalsContact O-CB 3.27Å; E43-S61 WeakPolarHBondContact O-CB 3.29Å; E43-S61 PolarHBondContact O-N 3.36Å; E43-S61 VanDerWaalsContact O-N 3.11Å | ||
| 44 | R | 93.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 144.4 | 172.5 | -70.2 | -169.1 | 164.7 | -88.2 | -4.5 | 109.4 | A46 Y60 | R44-A46 PolarHBondContact O-N 3.35Å; R44-Y60 VanDerWaalsContact CZ-CD1 3.46Å; R44-Y60 VanDerWaalsContact NH1-CD1 3.27Å |
| 45 | M | 92.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 130.1 | 168.3 | -64.5 | 178 | -73.7 | 0 | 0 | 110.1 | L52 A54 Y60 S61 Q62 M63 T67 | M45-L52 HydrophobicContact CB-CD2 3.96Å; M45-L52 HydrophobicContact CE-CD1 4.34Å; M45-A54 HydrophobicContact CG-CB 4.14Å; M45-A54 HydrophobicContact SD-CB 3.37Å; M45-A54 WeakPolarHBondContact SD-CB 3.43Å; M45-Y60 PolarHBondContact N-O 3.49Å; M45-S61 VanDerWaalsContact CG-C 3.44Å; M45-S61 VanDerWaalsContact CG-O 3.29Å; M45-S61 WeakPolarHBondContact CG-O 3.32Å; M45-Q62 VanDerWaalsContact CE-C 3.43Å; M45-Q62 WeakPolarHBondContact CE-O 3.4Å; M45-M63 HydrophobicContact CE-SD 3.83Å; M45-M63 HydrophobicContact SD-CG 4.18Å; M45-M63 HydrophobicContact SD-SD 3.64Å; M45-M63 VanDerWaalsContact SD-SD 3.64Å; M45-T67 HydrophobicContact CE-CG2 3.91Å |
| 46 | A | 87.6 | Confident | 91.9 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 74% | 0.744 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 127.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R44 G48 L52 | R44-A46 PolarHBondContact O-N 3.35Å; A46-G48 PolarHBondContact O-N 3.3Å; A46-L52 WeakPolarHBondContact O-CD2 3.46Å |
| 47 | F | 87.7 | Confident | 92 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | trans | -78.7 | 108.3 | 173.3 | -166.5 | -87.3 | 0 | 0 | 0 | 109.7 | L52 T71 V160 I168 I176 I180 | F47-L52 HydrophobicContact CB-CD2 4.01Å; F47-L52 HydrophobicContact CD2-CD1 4.29Å; F47-L52 HydrophobicContact CD2-CD2 3.83Å; F47-L52 HydrophobicContact CD2-CG 3.7Å; F47-L52 HydrophobicContact CE2-CG 4.27Å; F47-L52 HydrophobicContact CG-CD2 4.33Å; F47-T71 HydrophobicContact CD2-CG2 4.07Å; F47-T71 HydrophobicContact CE2-CG2 3.76Å; F47-V160 HydrophobicContact CE2-CG2 4.48Å; F47-V160 HydrophobicContact CZ-CG2 3.86Å; F47-I168 HydrophobicContact CE1-CD1 3.5Å; F47-I168 HydrophobicContact CZ-CD1 4.04Å; F47-I176 HydrophobicContact CD1-CB 4.2Å; F47-I176 HydrophobicContact CD1-CG2 3.95Å; F47-I176 HydrophobicContact CD2-CG2 4.38Å; F47-I176 HydrophobicContact CE1-CB 3.8Å; F47-I176 HydrophobicContact CE1-CD1 3.91Å; F47-I176 HydrophobicContact CE1-CG1 4.47Å; F47-I176 HydrophobicContact CE1-CG2 3.52Å; F47-I176 HydrophobicContact CE2-CG2 4.02Å; F47-I176 HydrophobicContact CG-CG2 4.36Å; F47-I176 HydrophobicContact CZ-CB 4.32Å; F47-I176 HydrophobicContact CZ-CD1 4.21Å; F47-I176 HydrophobicContact CZ-CG2 3.58Å; F47-I180 HydrophobicContact CB-CD1 4.28Å; F47-I180 HydrophobicContact CD2-CD1 3.64Å; F47-I180 HydrophobicContact CE2-CD1 4.19Å; F47-I180 HydrophobicContact CG-CD1 4.02Å | ||
| 48 | G | 82.2 | Confident | 92 | Very high | 31 Ų | 31 | 52 Ų | 52 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -98 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A46 A50 G51 | A46-G48 PolarHBondContact O-N 3.3Å; G48-A50 PolarHBondContact O-N 2.94Å; G48-G51 PolarHBondContact N-O 3.07Å; G48-G51 PolarHBondContact O-N 2.68Å |
| 49 | T | 72.8 | Confident | 92.1 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 26 | 177 | 53.5 | 0 | 0 | 0 | 0 | 115.9 | I168 D173 K387 | T49-I168 CarbonylContact C-O 3.26Å; T49-I168 VanDerWaalsContact C-O 3.3Å; T49-D173 HydrophobicContact CG2-CB 4.41Å; T49-D173 WeakPolarHBondContact CG2-OD2 3.45Å; T49-K387 VanDerWaalsContact O-CD 3.28Å; T49-K387 WeakPolarHBondContact O-CD 3.35Å; T49-K387 PolarHBondContact OG1-NZ 3.3Å |
| 50 | A | 78.8 | Confident | 92.2 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | -12.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G48 K159 V160 | G48-A50 PolarHBondContact O-N 2.94Å; A50-K159 CarbonylContact O-C 3.31Å; A50-K159 WeakPolarHBondContact O-CA 3.45Å; A50-V160 PolarHBondContact O-N 3.44Å |
| 51 | G | 90.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.6 | -135.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G48 Y158 | G48-G51 PolarHBondContact N-O 3.07Å; G48-G51 PolarHBondContact O-N 2.68Å; G51-Y158 CarbonylContact C-O 3.57Å; G51-Y158 WeakPolarHBondContact CA-O 3.16Å |
| 52 | L | 94.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150 | -175.4 | -61.1 | 175.8 | 0 | 0 | 0 | 112.3 | M45 A46 F47 M63 T71 G157 Y158 | M45-L52 HydrophobicContact CB-CD2 3.96Å; M45-L52 HydrophobicContact CE-CD1 4.34Å; A46-L52 WeakPolarHBondContact O-CD2 3.46Å; F47-L52 HydrophobicContact CB-CD2 4.01Å; F47-L52 HydrophobicContact CD2-CD1 4.29Å; F47-L52 HydrophobicContact CD2-CD2 3.83Å; F47-L52 HydrophobicContact CD2-CG 3.7Å; F47-L52 HydrophobicContact CE2-CG 4.27Å; F47-L52 HydrophobicContact CG-CD2 4.33Å; L52-M63 HydrophobicContact CB-SD 4Å; L52-T71 HydrophobicContact CD1-CG2 3.84Å; L52-T71 WeakPolarHBondContact CD1-OG1 3.41Å; L52-G157 CarbonylContact O-C 3.59Å; L52-G157 WeakPolarHBondContact O-CA 3.44Å; L52-Y158 PolarHBondContact N-O 3.04Å; L52-Y158 PolarHBondContact O-N 2.83Å |
| 53 | R | 94.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 41 Ų | 41 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 126.3 | 169.3 | -175.7 | 177.7 | 62.3 | 179 | -5.1 | 109.7 | A148 N151 | R53-A148 HydrophobicContact CG-CB 4.13Å; R53-N151 WeakPolarHBondContact CD-OD1 3.2Å; R53-N151 PolarHBondContact NH1-OD1 3.39Å |
| 54 | A | 95.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | M45 M63 D155 N156 | M45-A54 HydrophobicContact CG-CB 4.14Å; M45-A54 HydrophobicContact SD-CB 3.37Å; M45-A54 WeakPolarHBondContact SD-CB 3.43Å; A54-M63 HydrophobicContact CB-CG 4.08Å; A54-M63 VanDerWaalsContact O-CG 3.3Å; A54-M63 WeakPolarHBondContact O-CG 3.32Å; A54-D155 WeakPolarHBondContact O-CA 3.4Å; A54-N156 PolarHBondContact N-O 2.97Å; A54-N156 PolarHBondContact O-N 2.7Å; A54-N156 VanDerWaalsContact O-O 3.08Å |
| 55 | R | 96.1 | Very high | 92.9 | Very high | 143 Ų | 143 | 31.8 Ų | 31.8 | 54% | 0.54 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 146.5 | 166.9 | 178.3 | 177.6 | -167.8 | -161.1 | 5.5 | 110.3 | Q62 M63 D154 D155 | R55-Q62 VanDerWaalsContact C-OE1 3.31Å; R55-Q62 VanDerWaalsContact CB-OE1 3.22Å; R55-Q62 WeakPolarHBondContact O-CA 3.41Å; R55-Q62 PolarHBondContact O-OE1 3.01Å; R55-M63 PolarHBondContact O-N 2.87Å; R55-D154 HydrophobicContact CG-CB 4.15Å; R55-D154 IonicContact CZ-OD2 3.5Å; R55-D154 IonicContact NE-OD2 2.75Å; R55-D154 IonicContact NH2-OD2 2.77Å; R55-D154 PolarHBondContact NH2-OD2 3.27Å; R55-D155 WeakPolarHBondContact CA-OD1 3.38Å; R55-D155 PolarHBondContact N-OD1 3.47Å |
| 56 | M | 97.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 30 Ų | 30 | 16% | 0.163 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 130.5 | 172.3 | -60.8 | -171.2 | -88 | 0 | 0 | 109.8 | M63 H99 N100 W104 K153 D154 N156 | M56-M63 WeakPolarHBondContact CA-O 3.49Å; M56-M63 HydrophobicContact CG-CB 4.26Å; M56-H99 HydrophobicContact CE-CB 3.92Å; M56-H99 HydrophobicContact SD-CB 4.34Å; M56-N100 HydrophobicContact SD-CB 4.5Å; M56-W104 HydrophobicContact CG-CH2 3.75Å; M56-W104 HydrophobicContact CG-CZ3 4.46Å; M56-W104 HydrophobicContact SD-CH2 3.79Å; M56-W104 HydrophobicContact SD-CZ2 4.45Å; M56-W104 HydrophobicContact SD-CZ3 4.37Å; M56-K153 WeakPolarHBondContact CE-O 3.47Å; M56-D154 WeakPolarHBondContact CB-O 3.33Å; M56-D154 WeakPolarHBondContact CG-O 3.35Å; M56-D154 PolarHBondContact N-O 3.29Å; M56-N156 HydrophobicContact CE-CB 4.21Å; M56-N156 HydrophobicContact CG-CB 3.71Å; M56-N156 HydrophobicContact SD-CB 3.63Å |
| 57 | G | 97.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | trans | 172.9 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q62 M63 N64 | G57-Q62 WeakPolarHBondContact O-CB 3.34Å; G57-M63 PolarHBondContact N-O 3.02Å; G57-M63 VanDerWaalsContact N-O 3.09Å; G57-N64 WeakPolarHBondContact O-CB 3.38Å; G57-N64 PolarHBondContact O-ND2 3.37Å | ||
| 58 | P | 98.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76.8 | 165.6 | 179.1 | 34.5 | -36.2 | 0 | 0 | 0 | 111.7 | T21 Q24 I25 L40 Q62 | T21-P58 HydrophobicContact CG2-CB 4.16Å; Q24-P58 HydrophobicContact CB-CB 4.27Å; Q24-P58 HydrophobicContact CB-CG 3.89Å; I25-P58 HydrophobicContact CD1-CB 3.75Å; I25-P58 HydrophobicContact CD1-CG 4.09Å; I25-P58 HydrophobicContact CG1-CB 3.77Å; I25-P58 HydrophobicContact CG1-CG 4.5Å; L40-P58 HydrophobicContact CD1-CG 4.23Å; L40-P58 WeakPolarHBondContact CD2-O 3.5Å; P58-Q62 WeakPolarHBondContact O-CB 3.36Å; P58-Q62 VanDerWaalsContact O-CG 3.24Å; P58-Q62 WeakPolarHBondContact O-CG 3.32Å |
| 59 | G | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 84.8 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W12 L40 N64 | W12-G59 WeakPolarHBondContact CH2-O 3.29Å; W12-G59 VanDerWaalsContact CZ2-N 3.27Å; W12-G59 WeakPolarHBondContact CZ3-O 3.46Å; L40-G59 CarbonylContact O-C 3.43Å; L40-G59 WeakPolarHBondContact O-CA 3.48Å; G59-N64 PolarHBondContact O-ND2 3.5Å |
| 60 | Y | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.6 | -174.5 | -54.7 | -66.6 | 0 | 0 | 0 | 114.3 | E11 W12 L40 L41 E43 R44 M45 Q62 L66 T67 | E11-Y60 PolarHBondContact OE2-OH 3.45Å; W12-Y60 WeakPolarHBondContact CA-OH 3.32Å; W12-Y60 HydrophobicContact CB-CE2 4.41Å; W12-Y60 AromaticContact CE3-CD1 3.74Å; W12-Y60 HydrophobicContact CE3-CD1 3.74Å; W12-Y60 HydrophobicContact CE3-CD2 4.13Å; W12-Y60 AromaticContact CE3-CE1 3.47Å; W12-Y60 HydrophobicContact CE3-CE1 3.47Å; W12-Y60 VanDerWaalsContact CE3-CE1 3.47Å; W12-Y60 AromaticContact CE3-CE2 3.88Å; W12-Y60 HydrophobicContact CE3-CE2 3.88Å; W12-Y60 HydrophobicContact CE3-CG 4.06Å; W12-Y60 AromaticContact CE3-CZ 3.55Å; W12-Y60 AromaticContact CZ3-CD1 3.62Å; W12-Y60 HydrophobicContact CZ3-CD1 3.62Å; W12-Y60 AromaticContact CZ3-CE1 3.7Å; W12-Y60 HydrophobicContact CZ3-CE1 3.7Å; W12-Y60 HydrophobicContact CZ3-CG 4.11Å; W12-Y60 PolarHBondContact N-OH 2.92Å; L40-Y60 PolarHBondContact O-N 3.47Å; L41-Y60 WeakPolarHBondContact O-CD2 3.41Å; E43-Y60 CarbonylContact O-C 3.46Å; R44-Y60 VanDerWaalsContact CZ-CD1 3.46Å; R44-Y60 VanDerWaalsContact NH1-CD1 3.27Å; M45-Y60 PolarHBondContact N-O 3.49Å; Y60-Q62 VanDerWaalsContact C-N 3.31Å; Y60-L66 HydrophobicContact CE1-CD2 3.77Å; Y60-L66 HydrophobicContact CE1-CG 4.47Å; Y60-T67 HydrophobicContact CD1-CG2 4.48Å |
| 61 | S | 96.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 20.7 Ų | 20.7 | 15% | 0.147 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.7 | 173.3 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | K39 L40 E43 M45 | K39-S61 VanDerWaalsContact O-CB 3.28Å; K39-S61 WeakPolarHBondContact O-CB 3.26Å; K39-S61 PolarHBondContact O-OG 2.88Å; L40-S61 WeakPolarHBondContact CA-OG 3.48Å; L40-S61 PolarHBondContact O-N 3.39Å; E43-S61 WeakPolarHBondContact O-CA 3.02Å; E43-S61 VanDerWaalsContact O-CB 3.27Å; E43-S61 WeakPolarHBondContact O-CB 3.29Å; E43-S61 PolarHBondContact O-N 3.36Å; E43-S61 VanDerWaalsContact O-N 3.11Å; M45-S61 VanDerWaalsContact CG-C 3.44Å; M45-S61 VanDerWaalsContact CG-O 3.29Å; M45-S61 WeakPolarHBondContact CG-O 3.32Å |
| 62 | Q | 97.7 | Very high | 97.6 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 17% | 0.173 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -125.9 | 157.8 | -175.7 | -57.6 | -64.9 | -49.6 | 0 | 0 | 111.7 | L40 M45 R55 G57 P58 Y60 N64 T67 | L40-Q62 HydrophobicContact CD2-CG 3.63Å; M45-Q62 VanDerWaalsContact CE-C 3.43Å; M45-Q62 WeakPolarHBondContact CE-O 3.4Å; R55-Q62 VanDerWaalsContact C-OE1 3.31Å; R55-Q62 VanDerWaalsContact CB-OE1 3.22Å; R55-Q62 WeakPolarHBondContact O-CA 3.41Å; R55-Q62 PolarHBondContact O-OE1 3.01Å; G57-Q62 WeakPolarHBondContact O-CB 3.34Å; P58-Q62 WeakPolarHBondContact O-CB 3.36Å; P58-Q62 VanDerWaalsContact O-CG 3.24Å; P58-Q62 WeakPolarHBondContact O-CG 3.32Å; Y60-Q62 VanDerWaalsContact C-N 3.31Å; Q62-N64 PolarHBondContact O-ND2 3.45Å; Q62-N64 VanDerWaalsContact O-ND2 3.13Å; Q62-T67 WeakPolarHBondContact O-CG2 3.24Å; Q62-T67 PolarHBondContact O-OG1 3.21Å; Q62-T67 VanDerWaalsContact O-OG1 3.08Å |
| 63 | M | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 125.3 | 173.4 | -59.9 | -65.2 | -60.9 | 0 | 0 | 110.6 | M45 L52 A54 R55 M56 G57 I68 W104 N156 | M45-M63 HydrophobicContact CE-SD 3.83Å; M45-M63 HydrophobicContact SD-CG 4.18Å; M45-M63 HydrophobicContact SD-SD 3.64Å; M45-M63 VanDerWaalsContact SD-SD 3.64Å; L52-M63 HydrophobicContact CB-SD 4Å; A54-M63 HydrophobicContact CB-CG 4.08Å; A54-M63 VanDerWaalsContact O-CG 3.3Å; A54-M63 WeakPolarHBondContact O-CG 3.32Å; R55-M63 PolarHBondContact O-N 2.87Å; M56-M63 WeakPolarHBondContact CA-O 3.49Å; M56-M63 HydrophobicContact CG-CB 4.26Å; G57-M63 PolarHBondContact N-O 3.02Å; G57-M63 VanDerWaalsContact N-O 3.09Å; M63-I68 HydrophobicContact CE-CD1 3.64Å; M63-W104 HydrophobicContact CB-CH2 3.49Å; M63-W104 VanDerWaalsContact CB-CH2 3.49Å; M63-W104 HydrophobicContact CB-CZ3 3.75Å; M63-W104 HydrophobicContact CE-CE3 4.43Å; M63-W104 HydrophobicContact CE-CZ3 3.95Å; M63-N156 WeakPolarHBondContact CG-O 3.47Å |
| 64 | N | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.027 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -162 | 175.3 | 177.1 | 52.3 | 69.7 | 0 | 0 | 0 | 110.9 | T21 G57 G59 Q62 L66 T67 I68 | T21-N64 HydrophobicContact CG2-CB 4.23Å; G57-N64 WeakPolarHBondContact O-CB 3.38Å; G57-N64 PolarHBondContact O-ND2 3.37Å; G59-N64 PolarHBondContact O-ND2 3.5Å; Q62-N64 PolarHBondContact O-ND2 3.45Å; Q62-N64 VanDerWaalsContact O-ND2 3.13Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.26Å; N64-L66 PolarHBondContact OD1-N 3.47Å; N64-T67 PolarHBondContact N-OG1 3.32Å; N64-T67 PolarHBondContact O-N 3.25Å; N64-T67 PolarHBondContact O-OG1 3.19Å; N64-T67 PolarHBondContact OD1-N 3.43Å; N64-T67 PolarHBondContact OD1-OG1 2.95Å; N64-I68 WeakPolarHBondContact O-CG1 3.48Å; N64-I68 PolarHBondContact O-N 2.94Å |
| 65 | D | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 14.2 Ų | 14.2 | 3% | 0.032 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.6 | -44.9 | -178.6 | -57.7 | -17.7 | 0 | 0 | 0 | 112.6 | N18 I68 I69 K103 W104 I107 W191 | N18-D65 WeakPolarHBondContact CB-OD2 3.28Å; N18-D65 PolarHBondContact ND2-OD2 3.28Å; D65-I68 PolarHBondContact O-N 3.29Å; D65-I69 VanDerWaalsContact O-CG1 3.26Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.27Å; D65-K103 VanDerWaalsContact CG-NZ 3.3Å; D65-K103 WeakPolarHBondContact OD1-CE 3.29Å; D65-K103 IonicContact OD1-NZ 3.5Å; D65-K103 PolarHBondContact OD1-NZ 3Å; D65-K103 VanDerWaalsContact OD2-CE 3.24Å; D65-K103 WeakPolarHBondContact OD2-CE 3.47Å; D65-K103 IonicContact OD2-NZ 2.86Å; D65-K103 PolarHBondContact OD2-NZ 3.02Å; D65-W104 PolarHBondContact OD1-NE1 3.5Å; D65-I107 HydrophobicContact CB-CD1 4.09Å; D65-W191 HydrophobicContact CB-CH2 4.37Å; D65-W191 HydrophobicContact CB-CZ3 3.89Å |
| 66 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | -178.2 | 178 | 59.2 | 0 | 0 | 0 | 111.4 | W12 D16 Y60 N64 I68 I69 Q70 P186 W191 | W12-L66 HydrophobicContact CD2-CD2 4.41Å; W12-L66 HydrophobicContact CE3-CD2 3.88Å; W12-L66 HydrophobicContact CH2-CB 4.27Å; W12-L66 HydrophobicContact CH2-CD2 4.13Å; W12-L66 HydrophobicContact CZ3-CB 4.49Å; W12-L66 HydrophobicContact CZ3-CD2 3.72Å; W12-L66 HydrophobicContact CZ3-CG 4.47Å; D16-L66 HydrophobicContact CB-CD2 3.91Å; Y60-L66 HydrophobicContact CE1-CD2 3.77Å; Y60-L66 HydrophobicContact CE1-CG 4.47Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.26Å; N64-L66 PolarHBondContact OD1-N 3.47Å; L66-I68 VanDerWaalsContact C-N 3.3Å; L66-I68 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 2.9Å; L66-Q70 HydrophobicContact CD1-CG 4Å; L66-Q70 HydrophobicContact CG-CG 4.38Å; L66-Q70 WeakPolarHBondContact O-CB 3.38Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.31Å; L66-P186 HydrophobicContact CD1-CB 4.16Å; L66-P186 HydrophobicContact CD1-CG 3.89Å; L66-W191 HydrophobicContact CB-CH2 4.22Å; L66-W191 HydrophobicContact CD1-CZ2 4.11Å |
| 67 | T | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | M45 Y60 Q62 N64 T71 | M45-T67 HydrophobicContact CE-CG2 3.91Å; Y60-T67 HydrophobicContact CD1-CG2 4.48Å; Q62-T67 WeakPolarHBondContact O-CG2 3.24Å; Q62-T67 PolarHBondContact O-OG1 3.21Å; Q62-T67 VanDerWaalsContact O-OG1 3.08Å; N64-T67 PolarHBondContact N-OG1 3.32Å; N64-T67 PolarHBondContact O-N 3.25Å; N64-T67 PolarHBondContact O-OG1 3.19Å; N64-T67 PolarHBondContact OD1-N 3.43Å; N64-T67 PolarHBondContact OD1-OG1 2.95Å; T67-T71 WeakPolarHBondContact O-CB 3.43Å; T67-T71 PolarHBondContact O-N 2.91Å; T67-T71 PolarHBondContact O-OG1 3.01Å |
| 68 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 172.5 | -64.6 | -72.9 | 0 | 0 | 0 | 111.5 | M63 N64 D65 L66 T71 T72 W104 I107 V108 Y158 | M63-I68 HydrophobicContact CE-CD1 3.64Å; N64-I68 WeakPolarHBondContact O-CG1 3.48Å; N64-I68 PolarHBondContact O-N 2.94Å; D65-I68 PolarHBondContact O-N 3.29Å; L66-I68 VanDerWaalsContact C-N 3.3Å; L66-I68 PolarHBondContact O-N 3.35Å; I68-T71 PolarHBondContact O-N 3.34Å; I68-T72 VanDerWaalsContact O-CB 3.29Å; I68-T72 WeakPolarHBondContact O-CB 3.46Å; I68-T72 PolarHBondContact O-N 2.84Å; I68-T72 PolarHBondContact O-OG1 3.47Å; I68-W104 HydrophobicContact CB-CG 4.4Å; I68-W104 HydrophobicContact CD1-CB 4.18Å; I68-W104 HydrophobicContact CD1-CD2 3.97Å; I68-W104 HydrophobicContact CD1-CE3 3.76Å; I68-W104 HydrophobicContact CD1-CG 4.16Å; I68-W104 HydrophobicContact CD1-CZ3 4.37Å; I68-W104 HydrophobicContact CG1-CB 4.07Å; I68-W104 HydrophobicContact CG1-CD2 3.63Å; I68-W104 HydrophobicContact CG1-CE3 3.91Å; I68-W104 HydrophobicContact CG1-CG 3.69Å; I68-W104 HydrophobicContact CG2-CB 4.02Å; I68-W104 HydrophobicContact CG2-CG 4.34Å; I68-I107 HydrophobicContact CG2-CB 4.18Å; I68-I107 HydrophobicContact CG2-CG2 3.85Å; I68-V108 HydrophobicContact CG2-CG2 4.34Å; I68-Y158 HydrophobicContact CD1-CD2 3.76Å |
| 69 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.4 | -53.9 | 176.5 | -71.1 | 166.9 | 0 | 0 | 0 | 110.1 | D65 L66 T71 T72 Q73 I107 I111 P186 W191 | D65-I69 VanDerWaalsContact O-CG1 3.26Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.27Å; L66-I69 PolarHBondContact O-N 2.9Å; I69-T71 VanDerWaalsContact C-N 3.32Å; I69-T71 PolarHBondContact O-N 3.19Å; I69-T72 PolarHBondContact O-N 3.34Å; I69-Q73 HydrophobicContact CG2-CG 4.27Å; I69-Q73 WeakPolarHBondContact O-CG 3.44Å; I69-Q73 PolarHBondContact O-N 3.48Å; I69-I107 HydrophobicContact CG1-CD1 4.48Å; I69-I107 HydrophobicContact CG1-CG2 3.51Å; I69-I111 HydrophobicContact CB-CD1 4.42Å; I69-I111 HydrophobicContact CG1-CD1 4.41Å; I69-I111 HydrophobicContact CG2-CD1 4.22Å; I69-P186 HydrophobicContact CG2-CB 3.68Å; I69-W191 HydrophobicContact CD1-CD2 3.62Å; I69-W191 HydrophobicContact CD1-CE3 3.75Å; I69-W191 HydrophobicContact CD1-CG 4.24Å; I69-W191 HydrophobicContact CD1-CH2 3.85Å; I69-W191 HydrophobicContact CD1-CZ2 3.7Å; I69-W191 HydrophobicContact CD1-CZ3 3.88Å |
| 70 | Q | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | -179.4 | -70.8 | 179.2 | -23.1 | 0 | 0 | 111.6 | L66 T72 Q73 G74 L184 | L66-Q70 HydrophobicContact CD1-CG 4Å; L66-Q70 HydrophobicContact CG-CG 4.38Å; L66-Q70 WeakPolarHBondContact O-CB 3.38Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.31Å; Q70-T72 PolarHBondContact O-N 3.06Å; Q70-Q73 PolarHBondContact O-N 3.3Å; Q70-G74 PolarHBondContact O-N 2.72Å; Q70-L184 HydrophobicContact CG-CD2 4.48Å; Q70-L184 WeakPolarHBondContact CG-O 3.46Å; Q70-L184 PolarHBondContact NE2-O 2.74Å |
| 71 | T | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | F47 L52 T67 I68 I69 G74 L75 Y158 I180 | F47-T71 HydrophobicContact CD2-CG2 4.07Å; F47-T71 HydrophobicContact CE2-CG2 3.76Å; L52-T71 HydrophobicContact CD1-CG2 3.84Å; L52-T71 WeakPolarHBondContact CD1-OG1 3.41Å; T67-T71 WeakPolarHBondContact O-CB 3.43Å; T67-T71 PolarHBondContact O-N 2.91Å; T67-T71 PolarHBondContact O-OG1 3.01Å; I68-T71 PolarHBondContact O-N 3.34Å; I69-T71 VanDerWaalsContact C-N 3.32Å; I69-T71 PolarHBondContact O-N 3.19Å; T71-G74 PolarHBondContact O-N 2.78Å; T71-L75 WeakPolarHBondContact O-CB 3.43Å; T71-L75 PolarHBondContact O-N 3.13Å; T71-Y158 HydrophobicContact CG2-CD1 4.14Å; T71-Y158 HydrophobicContact CG2-CD2 4.37Å; T71-Y158 HydrophobicContact CG2-CE1 4.05Å; T71-Y158 HydrophobicContact CG2-CE2 4.26Å; T71-Y158 HydrophobicContact CG2-CG 4.31Å; T71-I180 HydrophobicContact CG2-CD1 3.89Å |
| 72 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.7 | -38.3 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | I68 I69 Q70 G74 L75 L76 V108 I111 F112 Y158 | I68-T72 VanDerWaalsContact O-CB 3.29Å; I68-T72 WeakPolarHBondContact O-CB 3.46Å; I68-T72 PolarHBondContact O-N 2.84Å; I68-T72 PolarHBondContact O-OG1 3.47Å; I69-T72 PolarHBondContact O-N 3.34Å; Q70-T72 PolarHBondContact O-N 3.06Å; T72-G74 VanDerWaalsContact C-N 3.33Å; T72-G74 PolarHBondContact O-N 2.88Å; T72-L75 PolarHBondContact O-N 3.46Å; T72-L76 WeakPolarHBondContact O-CB 3.36Å; T72-L76 PolarHBondContact O-N 2.61Å; T72-V108 HydrophobicContact CG2-CB 4.34Å; T72-V108 HydrophobicContact CG2-CG1 4.16Å; T72-V108 HydrophobicContact CG2-CG2 4.35Å; T72-V108 WeakPolarHBondContact OG1-CG2 3.37Å; T72-I111 HydrophobicContact CG2-CB 3.79Å; T72-I111 HydrophobicContact CG2-CD1 3.75Å; T72-I111 HydrophobicContact CG2-CG1 4.36Å; T72-I111 HydrophobicContact CG2-CG2 3.78Å; T72-F112 HydrophobicContact CG2-CD2 3.93Å; T72-F112 HydrophobicContact CG2-CE2 3.75Å; T72-Y158 WeakPolarHBondContact OG1-CE2 3.48Å; T72-Y158 PolarHBondContact OG1-OH 3.48Å |
| 73 | Q | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 7% | 0.07 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.5 | -70.7 | -178.3 | 170.1 | 0 | 0 | 111 | I69 Q70 L76 K77 I111 S183 E185 S190 | I69-Q73 HydrophobicContact CG2-CG 4.27Å; I69-Q73 WeakPolarHBondContact O-CG 3.44Å; I69-Q73 PolarHBondContact O-N 3.48Å; Q70-Q73 PolarHBondContact O-N 3.3Å; Q73-L76 PolarHBondContact O-N 3.43Å; Q73-K77 WeakPolarHBondContact O-CB 3.2Å; Q73-K77 PolarHBondContact O-N 2.87Å; Q73-I111 HydrophobicContact CG-CD1 4.33Å; Q73-I111 HydrophobicContact CG-CG2 4.48Å; Q73-S183 PolarHBondContact NE2-O 3.19Å; Q73-E185 PolarHBondContact NE2-O 3Å; Q73-S190 PolarHBondContact OE1-OG 3.24Å |
| 74 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q70 T71 T72 K77 Y78 C179 | Q70-G74 PolarHBondContact O-N 2.72Å; T71-G74 PolarHBondContact O-N 2.78Å; T72-G74 VanDerWaalsContact C-N 3.33Å; T72-G74 PolarHBondContact O-N 2.88Å; G74-K77 PolarHBondContact O-N 3.06Å; G74-Y78 WeakPolarHBondContact O-CB 3.14Å; G74-Y78 PolarHBondContact O-N 2.92Å; G74-C179 WeakPolarHBondContact CA-O 3.33Å; G74-C179 WeakPolarHBondContact O-CB 3.46Å |
| 75 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.6 | -179.1 | 63.2 | 0 | 0 | 0 | 111.5 | T71 T72 K77 Y78 S79 F112 L142 V144 Y158 V160 I176 | T71-L75 WeakPolarHBondContact O-CB 3.43Å; T71-L75 PolarHBondContact O-N 3.13Å; T72-L75 PolarHBondContact O-N 3.46Å; L75-K77 PolarHBondContact O-N 3.24Å; L75-Y78 PolarHBondContact O-N 2.64Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.42Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.01Å; L75-F112 HydrophobicContact CD2-CE2 4.4Å; L75-F112 HydrophobicContact CD2-CZ 4.3Å; L75-F112 HydrophobicContact CG-CZ 4.21Å; L75-L142 HydrophobicContact CD1-CD2 4.06Å; L75-L142 HydrophobicContact CD2-CD1 4.11Å; L75-L142 HydrophobicContact CD2-CD2 4.36Å; L75-L142 HydrophobicContact CG-CD2 4.18Å; L75-V144 HydrophobicContact CD2-CG2 3.76Å; L75-Y158 HydrophobicContact CD2-CE1 4.07Å; L75-Y158 VanDerWaalsContact CD2-OH 3.29Å; L75-Y158 WeakPolarHBondContact CD2-OH 3.5Å; L75-V160 HydrophobicContact CD1-CG1 4.24Å; L75-V160 HydrophobicContact CD2-CG2 4.32Å; L75-I176 HydrophobicContact CD1-CD1 3.58Å; L75-I176 HydrophobicContact CD1-CG1 3.84Å; L75-I176 HydrophobicContact CD1-CG2 4.31Å |
| 76 | L | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 176 | 171.2 | 63.8 | 0 | 0 | 0 | 110.9 | T72 Q73 Y78 S79 L80 L86 I111 F112 A115 | T72-L76 WeakPolarHBondContact O-CB 3.36Å; T72-L76 PolarHBondContact O-N 2.61Å; Q73-L76 PolarHBondContact O-N 3.43Å; L76-Y78 PolarHBondContact O-N 3.21Å; L76-S79 PolarHBondContact O-N 3.18Å; L76-L80 HydrophobicContact CD1-CD1 3.99Å; L76-L80 HydrophobicContact CD1-CG 4.09Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3.39Å; L76-L86 HydrophobicContact CD1-CD2 4.01Å; L76-I111 HydrophobicContact CD2-CG2 3.86Å; L76-F112 HydrophobicContact CB-CE1 4.36Å; L76-F112 HydrophobicContact CB-CE2 4.22Å; L76-F112 HydrophobicContact CB-CZ 4.02Å; L76-F112 HydrophobicContact CD1-CD1 3.91Å; L76-F112 HydrophobicContact CD1-CE1 3.82Å; L76-F112 HydrophobicContact CD1-CG 4.49Å; L76-F112 HydrophobicContact CD1-CZ 4.34Å; L76-A115 HydrophobicContact CD1-CB 3.77Å; L76-A115 HydrophobicContact CD2-CB 3.58Å; L76-A115 HydrophobicContact CG-CB 4.3Å |
| 77 | K | 98.7 | Very high | 98.2 | Very high | 70 Ų | 70 | 35 Ų | 35 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 179 | -173.9 | 179.2 | -167 | -175.8 | 0 | 111.8 | Q73 G74 L75 K81 C179 E182 S183 | Q73-K77 WeakPolarHBondContact O-CB 3.2Å; Q73-K77 PolarHBondContact O-N 2.87Å; G74-K77 PolarHBondContact O-N 3.06Å; L75-K77 PolarHBondContact O-N 3.24Å; K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.17Å; K77-C179 HydrophobicContact CB-CB 4.22Å; K77-C179 HydrophobicContact CD-CB 4.3Å; K77-C179 HydrophobicContact CG-CB 4.39Å; K77-E182 WeakPolarHBondContact CE-OE2 3.16Å; K77-E182 IonicContact NZ-OE2 3.52Å; K77-E182 PolarHBondContact NZ-OE2 3.28Å; K77-S183 WeakPolarHBondContact CD-OG 3.2Å |
| 78 | Y | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.2 | -174.5 | -108.1 | 0 | 0 | 0 | 112.3 | G74 L75 L76 K81 T82 W162 H172 G175 I176 | G74-Y78 WeakPolarHBondContact O-CB 3.14Å; G74-Y78 PolarHBondContact O-N 2.92Å; L75-Y78 PolarHBondContact O-N 2.64Å; L76-Y78 PolarHBondContact O-N 3.21Å; Y78-K81 WeakPolarHBondContact O-CB 3.37Å; Y78-K81 PolarHBondContact O-N 2.92Å; Y78-T82 PolarHBondContact O-N 3.36Å; Y78-T82 VanDerWaalsContact O-N 3.09Å; Y78-T82 PolarHBondContact O-OG1 3.04Å; Y78-W162 HydrophobicContact CD1-CH2 4.17Å; Y78-W162 AromaticContact CE1-CH2 3.95Å; Y78-W162 HydrophobicContact CE1-CH2 3.95Å; Y78-H172 HydrophobicContact CE1-CB 4.16Å; Y78-H172 AromaticContact CE1-ND1 3.75Å; Y78-G175 WeakPolarHBondContact CD2-O 3.44Å; Y78-G175 VanDerWaalsContact CE2-CA 3.43Å; Y78-I176 HydrophobicContact CD1-CD1 4.26Å; Y78-I176 HydrophobicContact CD1-CG1 3.41Å; Y78-I176 VanDerWaalsContact CD1-CG1 3.41Å; Y78-I176 HydrophobicContact CE1-CG1 4.03Å; Y78-I176 HydrophobicContact CG-CG1 3.89Å |
| 79 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L75 L76 K81 T82 F83 L142 | L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.42Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.01Å; L76-S79 PolarHBondContact O-N 3.18Å; S79-K81 VanDerWaalsContact C-N 3.27Å; S79-K81 PolarHBondContact O-N 3.41Å; S79-T82 PolarHBondContact O-N 3.37Å; S79-T82 VanDerWaalsContact O-N 3.12Å; S79-F83 PolarHBondContact O-N 2.93Å; S79-L142 WeakPolarHBondContact OG-CD2 3.37Å |
| 80 | L | 98.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -32.1 | 174.8 | -75.3 | 167.5 | 0 | 0 | 0 | 112.6 | L76 L86 | L76-L80 HydrophobicContact CD1-CD1 3.99Å; L76-L80 HydrophobicContact CD1-CG 4.09Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3.39Å; L80-L86 HydrophobicContact CD2-CD2 3.75Å; L80-L86 HydrophobicContact CG-CD2 3.78Å |
| 81 | K | 98 | Very high | 98.2 | Very high | 128 Ų | 128 | 42 Ų | 42 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -72.9 | -29.4 | 174 | -67.9 | 172.9 | -178.2 | 175.7 | 0 | 112.4 | K77 Y78 S79 C179 E182 | K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.17Å; Y78-K81 WeakPolarHBondContact O-CB 3.37Å; Y78-K81 PolarHBondContact O-N 2.92Å; S79-K81 VanDerWaalsContact C-N 3.27Å; S79-K81 PolarHBondContact O-N 3.41Å; K81-C179 PolarHBondContact NZ-SG 2.87Å; K81-E182 IonicContact NZ-OE2 2.68Å |
| 82 | T | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -100.6 | -34.5 | -168.8 | -46.7 | 0 | 0 | 0 | 0 | 113.3 | Y78 S79 W162 | Y78-T82 PolarHBondContact O-N 3.36Å; Y78-T82 VanDerWaalsContact O-N 3.09Å; Y78-T82 PolarHBondContact O-OG1 3.04Å; S79-T82 PolarHBondContact O-N 3.37Å; S79-T82 VanDerWaalsContact O-N 3.12Å; T82-W162 HydrophobicContact CG2-CH2 4.2Å; T82-W162 HydrophobicContact CG2-CZ2 3.65Å |
| 83 | F | 97.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | trans | -114.2 | 107.9 | -176.3 | -64.3 | -68.7 | 0 | 0 | 0 | 111.3 | S79 G85 L86 A141 W162 | S79-F83 PolarHBondContact O-N 2.93Å; F83-G85 PolarHBondContact O-N 2.98Å; F83-L86 HydrophobicContact CB-CB 4.02Å; F83-L86 HydrophobicContact CD2-CD1 4.48Å; F83-L86 PolarHBondContact O-N 3.05Å; F83-A141 HydrophobicContact CB-CB 4.4Å; F83-A141 HydrophobicContact CD1-CB 4.25Å; F83-A141 HydrophobicContact CD2-CB 3.74Å; F83-A141 HydrophobicContact CE1-CB 4.4Å; F83-A141 HydrophobicContact CE2-CB 3.85Å; F83-A141 WeakPolarHBondContact CE2-O 3.42Å; F83-A141 HydrophobicContact CG-CB 3.91Å; F83-A141 HydrophobicContact CZ-CB 4.18Å; F83-A141 WeakPolarHBondContact CZ-O 3.24Å; F83-W162 AromaticContact CD2-CH2 3.98Å; F83-W162 HydrophobicContact CD2-CH2 3.98Å; F83-W162 HydrophobicContact CD2-CZ2 4.07Å; F83-W162 AromaticContact CE1-CZ2 3.99Å; F83-W162 HydrophobicContact CE1-CZ2 3.99Å; F83-W162 HydrophobicContact CE2-CD2 4.17Å; F83-W162 AromaticContact CE2-CE2 3.68Å; F83-W162 HydrophobicContact CE2-CE3 4.13Å; F83-W162 AromaticContact CE2-CH2 3.12Å; F83-W162 HydrophobicContact CE2-CH2 3.12Å; F83-W162 AromaticContact CE2-CZ2 3.14Å; F83-W162 HydrophobicContact CE2-CZ2 3.14Å; F83-W162 AromaticContact CE2-CZ3 3.64Å; F83-W162 HydrophobicContact CE2-CZ3 3.64Å; F83-W162 AromaticContact CZ-CD2 3.8Å; F83-W162 HydrophobicContact CZ-CD2 3.8Å; F83-W162 AromaticContact CZ-CE2 3.18Å; F83-W162 HydrophobicContact CZ-CE3 4.21Å; F83-W162 HydrophobicContact CZ-CG 4.5Å; F83-W162 AromaticContact CZ-CH2 3.62Å; F83-W162 HydrophobicContact CZ-CH2 3.62Å; F83-W162 AromaticContact CZ-CZ2 3.09Å; F83-W162 HydrophobicContact CZ-CZ2 3.09Å; F83-W162 HydrophobicContact CZ-CZ3 4.14Å; F83-W162 AromaticContact CZ-NE1 3.56Å | ||
| 84 | S | 95.5 | Very high | 98.2 | Very high | 140 Ų | 140 | 41 Ų | 41 | 98% | 0.979 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.6 | 172 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 85 | G | 95.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 8.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F83 K87 S88 D89 | F83-G85 PolarHBondContact O-N 2.98Å; G85-K87 PolarHBondContact O-N 3.39Å; G85-S88 PolarHBondContact O-N 3.19Å; G85-S88 PolarHBondContact O-OG 3.36Å; G85-D89 WeakPolarHBondContact O-CB 3.41Å; G85-D89 VanDerWaalsContact O-CG 3.27Å; G85-D89 PolarHBondContact O-N 2.95Å |
| 86 | L | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -49.4 | -42.6 | -169.9 | -178.3 | 62.9 | 0 | 0 | 0 | 113.8 | L76 L80 F83 G90 I91 F112 A141 | L76-L86 HydrophobicContact CD1-CD2 4.01Å; L80-L86 HydrophobicContact CD2-CD2 3.75Å; L80-L86 HydrophobicContact CG-CD2 3.78Å; F83-L86 HydrophobicContact CB-CB 4.02Å; F83-L86 HydrophobicContact CD2-CD1 4.48Å; F83-L86 PolarHBondContact O-N 3.05Å; L86-G90 VanDerWaalsContact O-CA 3.27Å; L86-G90 WeakPolarHBondContact O-CA 3.45Å; L86-G90 PolarHBondContact O-N 3.31Å; L86-I91 HydrophobicContact CD1-CG2 4.21Å; L86-F112 HydrophobicContact CD1-CE1 4.34Å; L86-F112 HydrophobicContact CD2-CE1 4.38Å; L86-A141 HydrophobicContact CD1-CB 3.57Å |
| 87 | K | 97.9 | Very high | 98.1 | Very high | 121 Ų | 121 | 41 Ų | 41 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.4 | -41.4 | -176.4 | -67.9 | -173.8 | 177.5 | -169.3 | 0 | 112.6 | G85 A115 K118 | G85-K87 PolarHBondContact O-N 3.39Å; K87-A115 VanDerWaalsContact CE-O 3.24Å; K87-A115 WeakPolarHBondContact CE-O 3.49Å; K87-K118 PolarHBondContact O-N 3.32Å |
| 88 | S | 97.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 38 Ų | 38 | 59% | 0.587 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -79.1 | -43.1 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | G85 G90 | G85-S88 PolarHBondContact O-N 3.19Å; G85-S88 PolarHBondContact O-OG 3.36Å; S88-G90 VanDerWaalsContact C-N 3.33Å |
| 89 | D | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.4 | -37.5 | -180 | -60.3 | -14.6 | 0 | 0 | 0 | 109.9 | G85 T140 A141 | G85-D89 WeakPolarHBondContact O-CB 3.41Å; G85-D89 VanDerWaalsContact O-CG 3.27Å; G85-D89 PolarHBondContact O-N 2.95Å; D89-T140 WeakPolarHBondContact O-CA 3.26Å; D89-A141 HydrophobicContact CB-CB 4.34Å |
| 90 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 70.3 | -166.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L86 S88 K118 T140 A141 | L86-G90 VanDerWaalsContact O-CA 3.27Å; L86-G90 WeakPolarHBondContact O-CA 3.45Å; L86-G90 PolarHBondContact O-N 3.31Å; S88-G90 VanDerWaalsContact C-N 3.33Å; G90-K118 CarbonylContact C-O 3.25Å; G90-K118 WeakPolarHBondContact CA-O 3.34Å; G90-T140 WeakPolarHBondContact O-CB 3.36Å; G90-A141 WeakPolarHBondContact O-CB 3.42Å; G90-A141 PolarHBondContact O-N 3.01Å | ||
| 91 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 163.1 | 175.1 | 69.6 | 160.9 | 0 | 0 | 0 | 110.7 | L86 V93 V108 F112 K118 V119 Y120 L142 | L86-I91 HydrophobicContact CD1-CG2 4.21Å; I91-V93 HydrophobicContact CD1-CG2 3.52Å; I91-V93 HydrophobicContact CG1-CG2 4.08Å; I91-V108 HydrophobicContact CD1-CG1 4.13Å; I91-F112 HydrophobicContact CD1-CB 3.85Å; I91-F112 HydrophobicContact CD1-CD1 3.74Å; I91-F112 HydrophobicContact CD1-CD2 3.43Å; I91-F112 VanDerWaalsContact CD1-CD2 3.43Å; I91-F112 HydrophobicContact CD1-CE1 4.1Å; I91-F112 HydrophobicContact CD1-CE2 3.81Å; I91-F112 HydrophobicContact CD1-CG 3.38Å; I91-F112 HydrophobicContact CD1-CZ 4.13Å; I91-F112 HydrophobicContact CG1-CB 4.22Å; I91-F112 HydrophobicContact CG1-CD1 4.05Å; I91-F112 HydrophobicContact CG1-CG 4.02Å; I91-F112 HydrophobicContact CG2-CD1 3.67Å; I91-F112 HydrophobicContact CG2-CE1 3.55Å; I91-F112 HydrophobicContact CG2-CG 4.45Å; I91-F112 HydrophobicContact CG2-CZ 4.23Å; I91-K118 PolarHBondContact N-O 3.22Å; I91-V119 HydrophobicContact CG1-CB 4.49Å; I91-V119 HydrophobicContact CG1-CG1 4.22Å; I91-V119 HydrophobicContact CG1-CG2 3.97Å; I91-V119 WeakPolarHBondContact O-CA 3.35Å; I91-Y120 PolarHBondContact O-N 3.13Å; I91-L142 WeakPolarHBondContact CA-O 3.26Å; I91-L142 HydrophobicContact CB-CD1 3.9Å; I91-L142 HydrophobicContact CB-CG 4.33Å; I91-L142 HydrophobicContact CD1-CD1 4.49Å; I91-L142 HydrophobicContact CG2-CD1 3.6Å; I91-L142 HydrophobicContact CG2-CD2 4.38Å; I91-L142 HydrophobicContact CG2-CG 3.63Å |
| 92 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.8 | 167.5 | -172.6 | 170 | 0 | 0 | 0 | 110.2 | Y120 F122 V131 V135 F138 T140 L142 G143 V144 P205 L209 | I92-Y120 CarbonylContact C-O 3.2Å; I92-Y120 VanDerWaalsContact CA-O 3.29Å; I92-Y120 WeakPolarHBondContact CA-O 3.05Å; I92-Y120 WeakPolarHBondContact CG1-O 3.44Å; I92-F122 HydrophobicContact CD1-CE1 3.96Å; I92-F122 HydrophobicContact CG1-CE1 4.18Å; I92-V131 HydrophobicContact CG2-CG1 4.21Å; I92-V135 HydrophobicContact CG2-CB 4.44Å; I92-V135 HydrophobicContact CG2-CG2 3.46Å; I92-V135 VanDerWaalsContact CG2-CG2 3.46Å; I92-F138 HydrophobicContact CD1-CD2 4.31Å; I92-T140 HydrophobicContact CB-CG2 4.32Å; I92-L142 PolarHBondContact N-O 3.33Å; I92-L142 VanDerWaalsContact N-O 3.15Å; I92-G143 CarbonylContact O-C 3.45Å; I92-G143 WeakPolarHBondContact O-CA 3.44Å; I92-V144 PolarHBondContact O-N 3.08Å; I92-P205 HydrophobicContact CD1-CB 4.27Å; I92-P205 HydrophobicContact CD1-CG 4.31Å; I92-L209 HydrophobicContact CD1-CD1 3.86Å |
| 93 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.3 | -177 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | I91 A105 V108 V119 Y120 L121 F122 V144 | I91-V93 HydrophobicContact CD1-CG2 3.52Å; I91-V93 HydrophobicContact CG1-CG2 4.08Å; V93-A105 HydrophobicContact CG1-CB 3.76Å; V93-V108 HydrophobicContact CG1-CB 4.08Å; V93-V108 HydrophobicContact CG1-CG1 4.05Å; V93-V108 HydrophobicContact CG2-CB 4.44Å; V93-V108 HydrophobicContact CG2-CG1 3.68Å; V93-V119 HydrophobicContact CG2-CG1 4.03Å; V93-Y120 PolarHBondContact N-O 2.68Å; V93-L121 HydrophobicContact CB-CD1 3.98Å; V93-L121 HydrophobicContact CG1-CD1 4.11Å; V93-F122 PolarHBondContact O-N 2.75Å; V93-V144 CarbonylContact C-O 3.56Å; V93-V144 VanDerWaalsContact CA-O 3.29Å; V93-V144 WeakPolarHBondContact CA-O 3.43Å; V93-V144 HydrophobicContact CG1-CB 4.49Å |
| 94 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 170.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V144 M145 I146 | G94-V144 PolarHBondContact N-O 2.73Å; G94-M145 WeakPolarHBondContact O-CA 3.4Å; G94-I146 PolarHBondContact O-N 3.32Å |
| 95 | Y | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 151.8 | 177.8 | 58.7 | -92.5 | 0 | 0 | 0 | 112.1 | K102 A105 F106 F122 K123 D124 T125 M145 I146 | Y95-K102 HydrophobicContact CD2-CB 3.99Å; Y95-K102 HydrophobicContact CE1-CB 4.48Å; Y95-K102 HydrophobicContact CE1-CG 4.25Å; Y95-K102 HydrophobicContact CE2-CB 3.67Å; Y95-K102 HydrophobicContact CE2-CD 4.42Å; Y95-K102 HydrophobicContact CE2-CG 4.02Å; Y95-A105 HydrophobicContact CD1-CB 3.41Å; Y95-A105 VanDerWaalsContact CD1-CB 3.41Å; Y95-A105 HydrophobicContact CE1-CB 4.29Å; Y95-A105 HydrophobicContact CG-CB 3.97Å; Y95-F106 HydrophobicContact CE1-CE2 4.18Å; Y95-F122 HydrophobicContact CE1-CB 4.38Å; Y95-F122 VanDerWaalsContact CE1-O 3.25Å; Y95-F122 WeakPolarHBondContact CE1-O 3.37Å; Y95-K123 PolarHBondContact OH-O 2.77Å; Y95-D124 PolarHBondContact OH-N 3.36Å; Y95-T125 HydrophobicContact CD2-CG2 3.88Å; Y95-T125 HydrophobicContact CE2-CG2 3.65Å; Y95-M145 PolarHBondContact N-SD 2.84Å; Y95-M145 VanDerWaalsContact N-SD 3.4Å; Y95-I146 WeakPolarHBondContact CA-O 3Å |
| 96 | D | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -89.9 | -172.2 | 171.2 | 76.9 | 1.6 | 0 | 0 | 0 | 112.4 | R98 S101 M145 I146 T147 V243 D309 | D96-R98 VanDerWaalsContact C-N 3.34Å; D96-R98 PolarHBondContact O-N 2.97Å; D96-R98 WeakPolarHBondContact OD1-CB 3.35Å; D96-R98 WeakPolarHBondContact OD1-CG 3.15Å; D96-R98 PolarHBondContact OD1-N 3.37Å; D96-R98 WeakPolarHBondContact OD2-CD 3.44Å; D96-R98 WeakPolarHBondContact OD2-CG 3.4Å; D96-R98 IonicContact OD2-NE 2.7Å; D96-R98 PolarHBondContact OD2-NE 2.83Å; D96-S101 WeakPolarHBondContact O-CB 3.49Å; D96-S101 WeakPolarHBondContact OD1-CB 3.29Å; D96-S101 PolarHBondContact OD1-OG 2.88Å; D96-M145 HydrophobicContact CB-CE 4.18Å; D96-I146 PolarHBondContact N-O 3.42Å; D96-T147 WeakPolarHBondContact OD2-CA 3.36Å; D96-T147 VanDerWaalsContact OD2-CB 3.24Å; D96-T147 WeakPolarHBondContact OD2-CB 3.29Å; D96-T147 PolarHBondContact OD2-OG1 2.88Å; D96-V243 HydrophobicContact CB-CG1 4.31Å; D96-D309 HydrophobicContact CB-CB 4.33Å | ||
| 97 | A | 97.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -83.1 | 0.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | T125 V243 P269 P271 | A97-T125 HydrophobicContact CB-CG2 4.32Å; A97-V243 HydrophobicContact CB-CG1 3.9Å; A97-P269 HydrophobicContact CB-CB 3.58Å; A97-P271 VanDerWaalsContact O-CB 3.25Å; A97-P271 WeakPolarHBondContact O-CB 3.13Å |
| 98 | R | 98.1 | Very high | 98.5 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -65.5 | 159.1 | -175.5 | -64.9 | 167.2 | 175.8 | -82.1 | -11.2 | 111.7 | D96 N100 S101 S149 N151 P152 D155 F273 | D96-R98 VanDerWaalsContact C-N 3.34Å; D96-R98 PolarHBondContact O-N 2.97Å; D96-R98 WeakPolarHBondContact OD1-CB 3.35Å; D96-R98 WeakPolarHBondContact OD1-CG 3.15Å; D96-R98 PolarHBondContact OD1-N 3.37Å; D96-R98 WeakPolarHBondContact OD2-CD 3.44Å; D96-R98 WeakPolarHBondContact OD2-CG 3.4Å; D96-R98 IonicContact OD2-NE 2.7Å; D96-R98 PolarHBondContact OD2-NE 2.83Å; R98-N100 PolarHBondContact O-N 3.45Å; R98-S101 WeakPolarHBondContact CB-OG 3.29Å; R98-S101 VanDerWaalsContact O-CB 3.31Å; R98-S101 WeakPolarHBondContact O-CB 3.45Å; R98-S101 PolarHBondContact O-N 3.19Å; R98-S101 VanDerWaalsContact O-N 3.11Å; R98-S101 PolarHBondContact O-OG 2.83Å; R98-S149 PolarHBondContact NH2-O 3.42Å; R98-N151 PolarHBondContact NH1-O 2.92Å; R98-N151 PolarHBondContact NH2-O 2.68Å; R98-P152 PolarHBondContact NH1-O 3.04Å; R98-D155 WeakPolarHBondContact CD-O 3.05Å; R98-D155 PolarHBondContact NH1-O 3.13Å; R98-F273 HydrophobicContact CG-CE2 4.42Å; R98-F273 HydrophobicContact CG-CZ 4.16Å |
| 99 | H | 98.1 | Very high | 98.6 | Very high | 80 Ų | 80 | 21.6 Ų | 21.6 | 37% | 0.37 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 138.7 | 170.9 | -70.2 | -59.5 | 0 | 0 | 0 | 110.1 | M56 S101 N156 P271 D272 | M56-H99 HydrophobicContact CE-CB 3.92Å; M56-H99 HydrophobicContact SD-CB 4.34Å; H99-S101 PolarHBondContact O-N 3.38Å; H99-N156 PolarHBondContact O-ND2 2.96Å; H99-P271 VanDerWaalsContact CE1-CG 3.44Å; H99-P271 WeakPolarHBondContact CE1-CG 3.5Å; H99-D272 IonicContact CD2-OD1 3.78Å; H99-D272 IonicContact CE1-OD1 3.11Å; H99-D272 IonicContact NE2-OD1 3.34Å; H99-D272 PolarHBondContact NE2-OD1 2.81Å |
| 100 | N | 98.3 | Very high | 98.6 | Very high | 70 Ų | 70 | 18.7 Ų | 18.7 | 37% | 0.374 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -8.4 | -176.8 | -50.3 | -60.7 | 0 | 0 | 0 | 117.3 | M56 R98 K102 K103 W104 | M56-N100 HydrophobicContact SD-CB 4.5Å; R98-N100 PolarHBondContact O-N 3.45Å; N100-K102 PolarHBondContact O-N 3.09Å; N100-K103 PolarHBondContact O-N 3.12Å; N100-K103 VanDerWaalsContact O-N 3.08Å; N100-W104 HydrophobicContact CB-CD2 3.81Å; N100-W104 HydrophobicContact CB-CE3 4.38Å; N100-W104 HydrophobicContact CB-CG 4.29Å; N100-W104 HydrophobicContact CB-CH2 4.16Å; N100-W104 HydrophobicContact CB-CZ2 3.53Å; N100-W104 PolarHBondContact O-N 3.43Å |
| 101 | S | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.8 | -47.1 | -176.1 | -75.9 | 0 | 0 | 0 | 0 | 113 | D96 R98 H99 W104 A105 N156 | D96-S101 WeakPolarHBondContact O-CB 3.49Å; D96-S101 WeakPolarHBondContact OD1-CB 3.29Å; D96-S101 PolarHBondContact OD1-OG 2.88Å; R98-S101 WeakPolarHBondContact CB-OG 3.29Å; R98-S101 VanDerWaalsContact O-CB 3.31Å; R98-S101 WeakPolarHBondContact O-CB 3.45Å; R98-S101 PolarHBondContact O-N 3.19Å; R98-S101 VanDerWaalsContact O-N 3.11Å; R98-S101 PolarHBondContact O-OG 2.83Å; H99-S101 PolarHBondContact O-N 3.38Å; S101-W104 PolarHBondContact O-N 3.03Å; S101-A105 PolarHBondContact O-N 3.34Å; S101-N156 PolarHBondContact OG-ND2 3.27Å; S101-N156 PolarHBondContact OG-OD1 2.75Å |
| 102 | K | 98.4 | Very high | 98.6 | Very high | 106 Ų | 106 | 19 Ų | 19 | 46% | 0.461 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 173.9 | -179.7 | 171 | -178.5 | 169.3 | 0 | 112.2 | Y95 N100 W104 A105 F106 | Y95-K102 HydrophobicContact CD2-CB 3.99Å; Y95-K102 HydrophobicContact CE1-CB 4.48Å; Y95-K102 HydrophobicContact CE1-CG 4.25Å; Y95-K102 HydrophobicContact CE2-CB 3.67Å; Y95-K102 HydrophobicContact CE2-CD 4.42Å; Y95-K102 HydrophobicContact CE2-CG 4.02Å; N100-K102 PolarHBondContact O-N 3.09Å; K102-W104 VanDerWaalsContact C-N 3.3Å; K102-W104 PolarHBondContact O-N 3.17Å; K102-A105 PolarHBondContact O-N 2.99Å; K102-F106 HydrophobicContact CD-CE2 4.47Å; K102-F106 HydrophobicContact CG-CD2 4.03Å; K102-F106 HydrophobicContact CG-CE2 3.84Å; K102-F106 HydrophobicContact CG-CZ 4.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.16Å; K102-F106 PolarHBondContact O-N 2.82Å |
| 103 | K | 98.3 | Very high | 98.6 | Very high | 75 Ų | 75 | 19.4 Ų | 19.4 | 33% | 0.326 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -57.8 | -44.5 | -178.5 | -179.9 | 179.9 | 174.8 | -175.7 | 0 | 111.2 | D65 N100 F106 I107 I193 | D65-K103 VanDerWaalsContact CG-NZ 3.3Å; D65-K103 WeakPolarHBondContact OD1-CE 3.29Å; D65-K103 IonicContact OD1-NZ 3.5Å; D65-K103 PolarHBondContact OD1-NZ 3Å; D65-K103 VanDerWaalsContact OD2-CE 3.24Å; D65-K103 WeakPolarHBondContact OD2-CE 3.47Å; D65-K103 IonicContact OD2-NZ 2.86Å; D65-K103 PolarHBondContact OD2-NZ 3.02Å; N100-K103 PolarHBondContact O-N 3.12Å; N100-K103 VanDerWaalsContact O-N 3.08Å; K103-F106 WeakPolarHBondContact O-CB 3.41Å; K103-F106 PolarHBondContact O-N 3.2Å; K103-I107 HydrophobicContact CG-CD1 4.49Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.19Å; K103-I193 HydrophobicContact CG-CD1 4.06Å |
| 104 | W | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.7 | -36.3 | -178.5 | -64.8 | -12.2 | 0 | 0 | 0 | 112.9 | M56 M63 D65 I68 N100 S101 K102 F106 I107 V108 I146 N156 | M56-W104 HydrophobicContact CG-CH2 3.75Å; M56-W104 HydrophobicContact CG-CZ3 4.46Å; M56-W104 HydrophobicContact SD-CH2 3.79Å; M56-W104 HydrophobicContact SD-CZ2 4.45Å; M56-W104 HydrophobicContact SD-CZ3 4.37Å; M63-W104 HydrophobicContact CB-CH2 3.49Å; M63-W104 VanDerWaalsContact CB-CH2 3.49Å; M63-W104 HydrophobicContact CB-CZ3 3.75Å; M63-W104 HydrophobicContact CE-CE3 4.43Å; M63-W104 HydrophobicContact CE-CZ3 3.95Å; D65-W104 PolarHBondContact OD1-NE1 3.5Å; I68-W104 HydrophobicContact CB-CG 4.4Å; I68-W104 HydrophobicContact CD1-CB 4.18Å; I68-W104 HydrophobicContact CD1-CD2 3.97Å; I68-W104 HydrophobicContact CD1-CE3 3.76Å; I68-W104 HydrophobicContact CD1-CG 4.16Å; I68-W104 HydrophobicContact CD1-CZ3 4.37Å; I68-W104 HydrophobicContact CG1-CB 4.07Å; I68-W104 HydrophobicContact CG1-CD2 3.63Å; I68-W104 HydrophobicContact CG1-CE3 3.91Å; I68-W104 HydrophobicContact CG1-CG 3.69Å; I68-W104 HydrophobicContact CG2-CB 4.02Å; I68-W104 HydrophobicContact CG2-CG 4.34Å; N100-W104 HydrophobicContact CB-CD2 3.81Å; N100-W104 HydrophobicContact CB-CE3 4.38Å; N100-W104 HydrophobicContact CB-CG 4.29Å; N100-W104 HydrophobicContact CB-CH2 4.16Å; N100-W104 HydrophobicContact CB-CZ2 3.53Å; N100-W104 PolarHBondContact O-N 3.43Å; S101-W104 PolarHBondContact O-N 3.03Å; K102-W104 VanDerWaalsContact C-N 3.3Å; K102-W104 PolarHBondContact O-N 3.17Å; W104-F106 VanDerWaalsContact C-N 3.25Å; W104-F106 PolarHBondContact O-N 3.27Å; W104-I107 WeakPolarHBondContact O-CB 3.26Å; W104-I107 PolarHBondContact O-N 2.84Å; W104-V108 WeakPolarHBondContact O-CG2 3.16Å; W104-V108 PolarHBondContact O-N 3.43Å; W104-I146 HydrophobicContact CB-CD1 4.47Å; W104-I146 HydrophobicContact CB-CG1 4.29Å; W104-I146 HydrophobicContact CB-CG2 4.12Å; W104-I146 HydrophobicContact CE3-CG2 3.93Å; W104-N156 HydrophobicContact CE3-CB 4.48Å; W104-N156 HydrophobicContact CH2-CB 4.16Å; W104-N156 HydrophobicContact CZ3-CB 3.57Å; W104-N156 WeakPolarHBondContact CZ3-ND2 3.2Å |
| 105 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V93 Y95 S101 K102 V108 A109 L121 I146 | V93-A105 HydrophobicContact CG1-CB 3.76Å; Y95-A105 HydrophobicContact CD1-CB 3.41Å; Y95-A105 VanDerWaalsContact CD1-CB 3.41Å; Y95-A105 HydrophobicContact CE1-CB 4.29Å; Y95-A105 HydrophobicContact CG-CB 3.97Å; S101-A105 PolarHBondContact O-N 3.34Å; K102-A105 PolarHBondContact O-N 2.99Å; A105-V108 WeakPolarHBondContact O-CB 3.16Å; A105-V108 PolarHBondContact O-N 3.36Å; A105-A109 WeakPolarHBondContact O-CB 3.45Å; A105-A109 PolarHBondContact O-N 3.33Å; A105-L121 HydrophobicContact CB-CD1 4.28Å; A105-I146 HydrophobicContact CB-CG1 4.02Å |
| 106 | F | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 175.7 | -82.5 | -130.1 | 0 | 0 | 0 | 111.9 | Y95 K102 K103 W104 V108 A109 N110 L121 I193 E197 | Y95-F106 HydrophobicContact CE1-CE2 4.18Å; K102-F106 HydrophobicContact CD-CE2 4.47Å; K102-F106 HydrophobicContact CG-CD2 4.03Å; K102-F106 HydrophobicContact CG-CE2 3.84Å; K102-F106 HydrophobicContact CG-CZ 4.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.16Å; K102-F106 PolarHBondContact O-N 2.82Å; K103-F106 WeakPolarHBondContact O-CB 3.41Å; K103-F106 PolarHBondContact O-N 3.2Å; W104-F106 VanDerWaalsContact C-N 3.25Å; W104-F106 PolarHBondContact O-N 3.27Å; F106-V108 VanDerWaalsContact C-N 3.35Å; F106-A109 PolarHBondContact O-N 2.83Å; F106-N110 VanDerWaalsContact O-CB 3.23Å; F106-N110 WeakPolarHBondContact O-CB 3.45Å; F106-N110 PolarHBondContact O-N 3.13Å; F106-L121 HydrophobicContact CD2-CD1 4.34Å; F106-L121 HydrophobicContact CD2-CD2 3.94Å; F106-L121 HydrophobicContact CE2-CD1 4.42Å; F106-L121 HydrophobicContact CE2-CD2 3.81Å; F106-L121 HydrophobicContact CE2-CG 4.35Å; F106-L121 HydrophobicContact CG-CD2 4.35Å; F106-L121 HydrophobicContact CZ-CD2 4.11Å; F106-I193 HydrophobicContact CB-CB 4.3Å; F106-I193 HydrophobicContact CB-CD1 3.89Å; F106-E197 HydrophobicContact CE1-CG 3.62Å; F106-E197 WeakPolarHBondContact CE1-OE2 3.18Å; F106-E197 HydrophobicContact CZ-CG 3.81Å |
| 107 | I | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 169.8 | -70 | 172.4 | 0 | 0 | 0 | 110.7 | D65 I68 I69 K103 W104 A109 N110 I111 I193 | D65-I107 HydrophobicContact CB-CD1 4.09Å; I68-I107 HydrophobicContact CG2-CB 4.18Å; I68-I107 HydrophobicContact CG2-CG2 3.85Å; I69-I107 HydrophobicContact CG1-CD1 4.48Å; I69-I107 HydrophobicContact CG1-CG2 3.51Å; K103-I107 HydrophobicContact CG-CD1 4.49Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.19Å; W104-I107 WeakPolarHBondContact O-CB 3.26Å; W104-I107 PolarHBondContact O-N 2.84Å; I107-A109 PolarHBondContact O-N 2.65Å; I107-N110 PolarHBondContact O-N 3.21Å; I107-I111 HydrophobicContact CG2-CD1 3.9Å; I107-I111 WeakPolarHBondContact O-CG1 3.44Å; I107-I111 PolarHBondContact O-N 3.43Å; I107-I111 VanDerWaalsContact O-N 3.1Å; I107-I193 HydrophobicContact CB-CG2 4.43Å; I107-I193 HydrophobicContact CG1-CG2 3.77Å |
| 108 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58 | -52 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | I68 T72 I91 V93 W104 A105 F106 N110 I111 F112 V144 I146 Y158 | I68-V108 HydrophobicContact CG2-CG2 4.34Å; T72-V108 HydrophobicContact CG2-CB 4.34Å; T72-V108 HydrophobicContact CG2-CG1 4.16Å; T72-V108 HydrophobicContact CG2-CG2 4.35Å; T72-V108 WeakPolarHBondContact OG1-CG2 3.37Å; I91-V108 HydrophobicContact CD1-CG1 4.13Å; V93-V108 HydrophobicContact CG1-CB 4.08Å; V93-V108 HydrophobicContact CG1-CG1 4.05Å; V93-V108 HydrophobicContact CG2-CB 4.44Å; V93-V108 HydrophobicContact CG2-CG1 3.68Å; W104-V108 WeakPolarHBondContact O-CG2 3.16Å; W104-V108 PolarHBondContact O-N 3.43Å; A105-V108 WeakPolarHBondContact O-CB 3.16Å; A105-V108 PolarHBondContact O-N 3.36Å; F106-V108 VanDerWaalsContact C-N 3.35Å; V108-N110 PolarHBondContact O-N 2.92Å; V108-I111 PolarHBondContact O-N 3.49Å; V108-F112 HydrophobicContact CG1-CD2 4.39Å; V108-F112 WeakPolarHBondContact O-CD2 3.24Å; V108-F112 PolarHBondContact O-N 2.9Å; V108-V144 HydrophobicContact CG1-CB 4.15Å; V108-V144 HydrophobicContact CG1-CG1 4.23Å; V108-V144 HydrophobicContact CG1-CG2 4.12Å; V108-V144 HydrophobicContact CG2-CG1 4.21Å; V108-I146 HydrophobicContact CG2-CD1 4.28Å; V108-Y158 HydrophobicContact CG2-CD2 4.45Å; V108-Y158 HydrophobicContact CG2-CE2 3.51Å |
| 109 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A105 F106 I107 I111 F112 V113 V119 L121 V196 | A105-A109 WeakPolarHBondContact O-CB 3.45Å; A105-A109 PolarHBondContact O-N 3.33Å; F106-A109 PolarHBondContact O-N 2.83Å; I107-A109 PolarHBondContact O-N 2.65Å; A109-I111 PolarHBondContact O-N 2.98Å; A109-F112 PolarHBondContact O-N 2.86Å; A109-V113 WeakPolarHBondContact O-CB 3.46Å; A109-V113 VanDerWaalsContact O-CG2 3.3Å; A109-V113 WeakPolarHBondContact O-CG2 3.45Å; A109-V113 PolarHBondContact O-N 2.85Å; A109-V119 HydrophobicContact CB-CG1 3.76Å; A109-L121 HydrophobicContact CB-CD1 4.19Å; A109-L121 HydrophobicContact CB-CD2 3.89Å; A109-L121 HydrophobicContact CB-CG 4.44Å; A109-V196 HydrophobicContact CB-CG1 3.65Å |
| 110 | N | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 178.7 | -176 | 45.1 | 0 | 0 | 0 | 112.7 | F106 I107 V108 F112 V113 N114 T189 S190 N192 I193 V196 | F106-N110 VanDerWaalsContact O-CB 3.23Å; F106-N110 WeakPolarHBondContact O-CB 3.45Å; F106-N110 PolarHBondContact O-N 3.13Å; I107-N110 PolarHBondContact O-N 3.21Å; V108-N110 PolarHBondContact O-N 2.92Å; N110-F112 VanDerWaalsContact C-N 3.34Å; N110-F112 PolarHBondContact O-N 3.3Å; N110-V113 PolarHBondContact O-N 2.72Å; N110-N114 WeakPolarHBondContact O-CB 3.01Å; N110-N114 VanDerWaalsContact O-CG 3.27Å; N110-N114 PolarHBondContact O-N 3.21Å; N110-N114 PolarHBondContact O-ND2 2.92Å; N110-N114 VanDerWaalsContact O-ND2 3.13Å; N110-N114 PolarHBondContact OD1-ND2 3.37Å; N110-T189 PolarHBondContact ND2-O 2.94Å; N110-S190 PolarHBondContact ND2-O 2.92Å; N110-N192 PolarHBondContact ND2-O 2.77Å; N110-N192 PolarHBondContact OD1-O 2.84Å; N110-I193 HydrophobicContact CB-CG2 3.99Å; N110-V196 HydrophobicContact CB-CG2 3.46Å; N110-V196 VanDerWaalsContact CB-CG2 3.46Å |
| 111 | I | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 4% | 0.036 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | -178.3 | -70.7 | 166.6 | 0 | 0 | 0 | 111 | I69 T72 Q73 L76 I107 V108 A109 A115 | I69-I111 HydrophobicContact CB-CD1 4.42Å; I69-I111 HydrophobicContact CG1-CD1 4.41Å; I69-I111 HydrophobicContact CG2-CD1 4.22Å; T72-I111 HydrophobicContact CG2-CB 3.79Å; T72-I111 HydrophobicContact CG2-CD1 3.75Å; T72-I111 HydrophobicContact CG2-CG1 4.36Å; T72-I111 HydrophobicContact CG2-CG2 3.78Å; Q73-I111 HydrophobicContact CG-CD1 4.33Å; Q73-I111 HydrophobicContact CG-CG2 4.48Å; L76-I111 HydrophobicContact CD2-CG2 3.86Å; I107-I111 HydrophobicContact CG2-CD1 3.9Å; I107-I111 WeakPolarHBondContact O-CG1 3.44Å; I107-I111 PolarHBondContact O-N 3.43Å; I107-I111 VanDerWaalsContact O-N 3.1Å; V108-I111 PolarHBondContact O-N 3.49Å; A109-I111 PolarHBondContact O-N 2.98Å; I111-A115 PolarHBondContact O-N 3Å |
| 112 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.2 | -39.1 | 178.7 | -85.6 | -96.2 | 0 | 0 | 0 | 113 | T72 L75 L76 L86 I91 V108 A109 N110 A115 G116 C117 V119 | T72-F112 HydrophobicContact CG2-CD2 3.93Å; T72-F112 HydrophobicContact CG2-CE2 3.75Å; L75-F112 HydrophobicContact CD2-CE2 4.4Å; L75-F112 HydrophobicContact CD2-CZ 4.3Å; L75-F112 HydrophobicContact CG-CZ 4.21Å; L76-F112 HydrophobicContact CB-CE1 4.36Å; L76-F112 HydrophobicContact CB-CE2 4.22Å; L76-F112 HydrophobicContact CB-CZ 4.02Å; L76-F112 HydrophobicContact CD1-CD1 3.91Å; L76-F112 HydrophobicContact CD1-CE1 3.82Å; L76-F112 HydrophobicContact CD1-CG 4.49Å; L76-F112 HydrophobicContact CD1-CZ 4.34Å; L86-F112 HydrophobicContact CD1-CE1 4.34Å; L86-F112 HydrophobicContact CD2-CE1 4.38Å; I91-F112 HydrophobicContact CD1-CB 3.85Å; I91-F112 HydrophobicContact CD1-CD1 3.74Å; I91-F112 HydrophobicContact CD1-CD2 3.43Å; I91-F112 VanDerWaalsContact CD1-CD2 3.43Å; I91-F112 HydrophobicContact CD1-CE1 4.1Å; I91-F112 HydrophobicContact CD1-CE2 3.81Å; I91-F112 HydrophobicContact CD1-CG 3.38Å; I91-F112 HydrophobicContact CD1-CZ 4.13Å; I91-F112 HydrophobicContact CG1-CB 4.22Å; I91-F112 HydrophobicContact CG1-CD1 4.05Å; I91-F112 HydrophobicContact CG1-CG 4.02Å; I91-F112 HydrophobicContact CG2-CD1 3.67Å; I91-F112 HydrophobicContact CG2-CE1 3.55Å; I91-F112 HydrophobicContact CG2-CG 4.45Å; I91-F112 HydrophobicContact CG2-CZ 4.23Å; V108-F112 HydrophobicContact CG1-CD2 4.39Å; V108-F112 WeakPolarHBondContact O-CD2 3.24Å; V108-F112 PolarHBondContact O-N 2.9Å; A109-F112 PolarHBondContact O-N 2.86Å; N110-F112 VanDerWaalsContact C-N 3.34Å; N110-F112 PolarHBondContact O-N 3.3Å; F112-A115 WeakPolarHBondContact O-CB 3.2Å; F112-A115 PolarHBondContact O-N 3.15Å; F112-G116 PolarHBondContact O-N 3.39Å; F112-C117 HydrophobicContact CB-CB 4.25Å; F112-C117 HydrophobicContact CD1-CB 4.17Å; F112-C117 VanDerWaalsContact O-CB 3.29Å; F112-C117 WeakPolarHBondContact O-CB 3.5Å; F112-C117 PolarHBondContact O-N 3.38Å; F112-V119 HydrophobicContact CB-CG2 3.68Å |
| 113 | V | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.3 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | A109 N110 A115 G116 V119 N199 L201 C202 | A109-V113 WeakPolarHBondContact O-CB 3.46Å; A109-V113 VanDerWaalsContact O-CG2 3.3Å; A109-V113 WeakPolarHBondContact O-CG2 3.45Å; A109-V113 PolarHBondContact O-N 2.85Å; N110-V113 PolarHBondContact O-N 2.72Å; V113-A115 PolarHBondContact O-N 2.79Å; V113-G116 WeakPolarHBondContact O-CA 3.24Å; V113-G116 PolarHBondContact O-N 3.26Å; V113-V119 HydrophobicContact CG2-CB 3.96Å; V113-V119 HydrophobicContact CG2-CG2 3.6Å; V113-N199 HydrophobicContact CG1-CB 3.8Å; V113-N199 WeakPolarHBondContact CG1-ND2 3.33Å; V113-L201 HydrophobicContact CG2-CB 4.41Å; V113-C202 HydrophobicContact CG2-CB 4.49Å |
| 114 | N | 98 | Very high | 98.4 | Very high | 82 Ų | 82 | 23.1 Ų | 23.1 | 44% | 0.439 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.8 | -24.7 | 176.7 | -73.5 | -33 | 0 | 0 | 0 | 112.9 | N110 G116 | N110-N114 WeakPolarHBondContact O-CB 3.01Å; N110-N114 VanDerWaalsContact O-CG 3.27Å; N110-N114 PolarHBondContact O-N 3.21Å; N110-N114 PolarHBondContact O-ND2 2.92Å; N110-N114 VanDerWaalsContact O-ND2 3.13Å; N110-N114 PolarHBondContact OD1-ND2 3.37Å; N114-G116 PolarHBondContact O-N 3.17Å |
| 115 | A | 98 | Very high | 98.4 | Very high | 26 Ų | 26 | 24.2 Ų | 24.2 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | L76 K87 I111 F112 V113 | L76-A115 HydrophobicContact CD1-CB 3.77Å; L76-A115 HydrophobicContact CD2-CB 3.58Å; L76-A115 HydrophobicContact CG-CB 4.3Å; K87-A115 VanDerWaalsContact CE-O 3.24Å; K87-A115 WeakPolarHBondContact CE-O 3.49Å; I111-A115 PolarHBondContact O-N 3Å; F112-A115 WeakPolarHBondContact O-CB 3.2Å; F112-A115 PolarHBondContact O-N 3.15Å; V113-A115 PolarHBondContact O-N 2.79Å |
| 116 | G | 98 | Very high | 98.3 | Very high | 31 Ų | 31 | 25.5 Ų | 25.5 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 23.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F112 V113 N114 | F112-G116 PolarHBondContact O-N 3.39Å; V113-G116 WeakPolarHBondContact O-CA 3.24Å; V113-G116 PolarHBondContact O-N 3.26Å; N114-G116 PolarHBondContact O-N 3.17Å |
| 117 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -91.1 | 142.7 | 175.7 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | F112 | F112-C117 HydrophobicContact CB-CB 4.25Å; F112-C117 HydrophobicContact CD1-CB 4.17Å; F112-C117 VanDerWaalsContact O-CB 3.29Å; F112-C117 WeakPolarHBondContact O-CB 3.5Å; F112-C117 PolarHBondContact O-N 3.38Å | ||
| 118 | K | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 24.4 Ų | 24.4 | 27% | 0.265 | 13% | 0.132 | S | C | . | . | trans | -62.8 | 136.5 | 164.6 | -173.9 | -175.9 | -167.6 | 179.7 | 0 | 110.1 | K87 G90 I91 Y120 L203 | K87-K118 PolarHBondContact O-N 3.32Å; G90-K118 CarbonylContact C-O 3.25Å; G90-K118 WeakPolarHBondContact CA-O 3.34Å; I91-K118 PolarHBondContact N-O 3.22Å; K118-Y120 HydrophobicContact CD-CE2 3.9Å; K118-Y120 VanDerWaalsContact CE-CZ 3.41Å; K118-Y120 WeakPolarHBondContact CE-OH 3.46Å; K118-Y120 HydrophobicContact CG-CE2 4.3Å; K118-Y120 PolarHBondContact NZ-OH 2.97Å; K118-L203 HydrophobicContact CD-CD1 4.17Å; K118-L203 HydrophobicContact CG-CD1 4.01Å | ||
| 119 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | I91 V93 A109 F112 V113 L121 L201 C202 L203 | I91-V119 HydrophobicContact CG1-CB 4.49Å; I91-V119 HydrophobicContact CG1-CG1 4.22Å; I91-V119 HydrophobicContact CG1-CG2 3.97Å; I91-V119 WeakPolarHBondContact O-CA 3.35Å; V93-V119 HydrophobicContact CG2-CG1 4.03Å; A109-V119 HydrophobicContact CB-CG1 3.76Å; F112-V119 HydrophobicContact CB-CG2 3.68Å; V113-V119 HydrophobicContact CG2-CB 3.96Å; V113-V119 HydrophobicContact CG2-CG2 3.6Å; V119-L121 HydrophobicContact CG1-CB 4.3Å; V119-L201 PolarHBondContact N-O 2.86Å; V119-C202 CarbonylContact O-C 3.5Å; V119-C202 WeakPolarHBondContact O-CA 3.43Å; V119-L203 PolarHBondContact O-N 3.2Å |
| 120 | Y | 98.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 9% | 0.09 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 102.7 | 167.6 | -67.9 | -84.7 | 0 | 0 | 0 | 108.8 | I91 I92 V93 K118 F138 T140 L203 P205 | I91-Y120 PolarHBondContact O-N 3.13Å; I92-Y120 CarbonylContact C-O 3.2Å; I92-Y120 VanDerWaalsContact CA-O 3.29Å; I92-Y120 WeakPolarHBondContact CA-O 3.05Å; I92-Y120 WeakPolarHBondContact CG1-O 3.44Å; V93-Y120 PolarHBondContact N-O 2.68Å; K118-Y120 HydrophobicContact CD-CE2 3.9Å; K118-Y120 VanDerWaalsContact CE-CZ 3.41Å; K118-Y120 WeakPolarHBondContact CE-OH 3.46Å; K118-Y120 HydrophobicContact CG-CE2 4.3Å; K118-Y120 PolarHBondContact NZ-OH 2.97Å; Y120-F138 HydrophobicContact CD1-CD1 4.28Å; Y120-F138 HydrophobicContact CD1-CD2 4.47Å; Y120-F138 HydrophobicContact CD1-CE1 4.36Å; Y120-F138 HydrophobicContact CD1-CG 4.32Å; Y120-F138 HydrophobicContact CD2-CB 4.3Å; Y120-F138 HydrophobicContact CD2-CG 4.49Å; Y120-F138 AromaticContact CE1-CD1 3.59Å; Y120-F138 HydrophobicContact CE1-CD1 3.59Å; Y120-F138 AromaticContact CE1-CE1 3.82Å; Y120-F138 HydrophobicContact CE1-CE1 3.82Å; Y120-F138 AromaticContact CE1-CG 3.98Å; Y120-F138 HydrophobicContact CE1-CG 3.98Å; Y120-F138 HydrophobicContact CE1-CZ 4.42Å; Y120-F138 HydrophobicContact CE2-CB 3.84Å; Y120-F138 HydrophobicContact CE2-CD1 4.38Å; Y120-F138 HydrophobicContact CE2-CG 4.18Å; Y120-F138 AromaticContact CZ-CD1 3.62Å; Y120-F138 AromaticContact CZ-CG 3.87Å; Y120-T140 HydrophobicContact CD2-CG2 3.65Å; Y120-T140 HydrophobicContact CE2-CG2 3.87Å; Y120-L203 CarbonylContact C-O 3.56Å; Y120-L203 WeakPolarHBondContact CA-O 3.49Å; Y120-L203 HydrophobicContact CD1-CB 3.94Å; Y120-L203 HydrophobicContact CD1-CD1 4.34Å; Y120-L203 HydrophobicContact CE1-CB 4.21Å; Y120-L203 HydrophobicContact CE1-CD1 3.86Å; Y120-P205 HydrophobicContact CD1-CB 4.03Å; Y120-P205 HydrophobicContact CG-CB 4.45Å |
| 121 | L | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.9 | -175.9 | 177.2 | 60.9 | 0 | 0 | 0 | 110.4 | V93 A105 F106 A109 V119 K123 V196 E197 L203 P205 | V93-L121 HydrophobicContact CB-CD1 3.98Å; V93-L121 HydrophobicContact CG1-CD1 4.11Å; A105-L121 HydrophobicContact CB-CD1 4.28Å; F106-L121 HydrophobicContact CD2-CD1 4.34Å; F106-L121 HydrophobicContact CD2-CD2 3.94Å; F106-L121 HydrophobicContact CE2-CD1 4.42Å; F106-L121 HydrophobicContact CE2-CD2 3.81Å; F106-L121 HydrophobicContact CE2-CG 4.35Å; F106-L121 HydrophobicContact CG-CD2 4.35Å; F106-L121 HydrophobicContact CZ-CD2 4.11Å; A109-L121 HydrophobicContact CB-CD1 4.19Å; A109-L121 HydrophobicContact CB-CD2 3.89Å; A109-L121 HydrophobicContact CB-CG 4.44Å; V119-L121 HydrophobicContact CG1-CB 4.3Å; L121-K123 PolarHBondContact O-N 3.28Å; L121-V196 HydrophobicContact CD2-CG1 3.87Å; L121-E197 HydrophobicContact CD2-CG 4.49Å; L121-L203 PolarHBondContact N-O 3.48Å; L121-P205 WeakPolarHBondContact O-CD 3.29Å |
| 122 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -63.5 | 131.5 | 170.4 | -69.2 | 6.1 | 0 | 0 | 0 | 109.8 | I92 V93 Y95 D124 F126 M130 V131 P205 M206 L209 | I92-F122 HydrophobicContact CD1-CE1 3.96Å; I92-F122 HydrophobicContact CG1-CE1 4.18Å; V93-F122 PolarHBondContact O-N 2.75Å; Y95-F122 HydrophobicContact CE1-CB 4.38Å; Y95-F122 VanDerWaalsContact CE1-O 3.25Å; Y95-F122 WeakPolarHBondContact CE1-O 3.37Å; F122-D124 WeakPolarHBondContact CB-O 3.47Å; F122-F126 HydrophobicContact CD2-CB 3.81Å; F122-F126 HydrophobicContact CE2-CB 3.73Å; F122-M130 HydrophobicContact CE2-CB 4.06Å; F122-M130 HydrophobicContact CZ-CB 3.69Å; F122-V131 HydrophobicContact CE1-CG2 4.41Å; F122-V131 HydrophobicContact CE2-CG2 3.76Å; F122-V131 HydrophobicContact CZ-CG2 3.61Å; F122-P205 HydrophobicContact CD1-CG 3.59Å; F122-P205 HydrophobicContact CE1-CG 3.8Å; F122-M206 HydrophobicContact CD1-CE 3.85Å; F122-M206 HydrophobicContact CD2-CE 4.1Å; F122-M206 HydrophobicContact CE1-CE 3.73Å; F122-M206 HydrophobicContact CE2-CE 4Å; F122-M206 HydrophobicContact CG-CE 4.04Å; F122-M206 HydrophobicContact CZ-CE 3.82Å; F122-L209 HydrophobicContact CE1-CD1 4Å; F122-L209 HydrophobicContact CZ-CD1 4.32Å | ||
| 123 | K | 96.1 | Very high | 98.3 | Very high | 113 Ų | 113 | 24 Ų | 24 | 49% | 0.491 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -86.4 | -15.8 | 176.8 | -68.7 | -170.7 | 170.2 | 169.8 | 0 | 114 | Y95 L121 D204 | Y95-K123 PolarHBondContact OH-O 2.77Å; L121-K123 PolarHBondContact O-N 3.28Å; K123-D204 HydrophobicContact CD-CB 4.06Å; K123-D204 HydrophobicContact CG-CB 4.37Å |
| 124 | D | 96.8 | Very high | 98.3 | Very high | 101 Ų | 101 | 23.7 Ų | 23.7 | 54% | 0.54 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -143.6 | 173 | 177.2 | -153.6 | -16.9 | 0 | 0 | 0 | 109.3 | Y95 F122 F126 | Y95-D124 PolarHBondContact OH-N 3.36Å; F122-D124 WeakPolarHBondContact CB-O 3.47Å; D124-F126 HydrophobicContact CB-CE2 4.2Å |
| 125 | T | 98 | Very high | 98.4 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 15% | 0.153 | 11% | 0.106 | C | C | . | . | trans | -71.2 | 128.9 | 180 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | Y95 A97 V243 | Y95-T125 HydrophobicContact CD2-CG2 3.88Å; Y95-T125 HydrophobicContact CE2-CG2 3.65Å; A97-T125 HydrophobicContact CB-CG2 4.32Å; T125-V243 HydrophobicContact CG2-CG1 4.36Å | ||
| 126 | F | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 21.9 Ų | 21.9 | 11% | 0.114 | 11% | 0.109 | C | C | . | . | trans | -143.2 | 160.2 | 178.1 | -83.9 | -89.3 | 0 | 0 | 0 | 111.1 | F122 D124 M130 M145 M206 L210 V243 E246 | F122-F126 HydrophobicContact CD2-CB 3.81Å; F122-F126 HydrophobicContact CE2-CB 3.73Å; D124-F126 HydrophobicContact CB-CE2 4.2Å; F126-M130 HydrophobicContact CB-CG 4.45Å; F126-M145 WeakPolarHBondContact O-CE 3.44Å; F126-M206 HydrophobicContact CB-CE 3.7Å; F126-M206 HydrophobicContact CD1-CE 3.79Å; F126-M206 HydrophobicContact CD1-CG 4.39Å; F126-M206 HydrophobicContact CD1-SD 3.58Å; F126-M206 VanDerWaalsContact CD1-SD 3.58Å; F126-M206 HydrophobicContact CD2-CE 3.43Å; F126-M206 VanDerWaalsContact CD2-CE 3.43Å; F126-M206 HydrophobicContact CD2-CG 4.05Å; F126-M206 HydrophobicContact CD2-SD 3.96Å; F126-M206 HydrophobicContact CE1-CE 4.28Å; F126-M206 HydrophobicContact CE1-CG 3.91Å; F126-M206 HydrophobicContact CE1-SD 3.57Å; F126-M206 VanDerWaalsContact CE1-SD 3.57Å; F126-M206 HydrophobicContact CE2-CE 3.96Å; F126-M206 HydrophobicContact CE2-CG 3.54Å; F126-M206 HydrophobicContact CE2-SD 3.96Å; F126-M206 HydrophobicContact CG-CE 3.34Å; F126-M206 HydrophobicContact CG-CG 4.45Å; F126-M206 HydrophobicContact CG-SD 3.78Å; F126-M206 HydrophobicContact CZ-CE 4.36Å; F126-M206 HydrophobicContact CZ-CG 3.46Å; F126-M206 VanDerWaalsContact CZ-CG 3.46Å; F126-M206 HydrophobicContact CZ-SD 3.78Å; F126-L210 HydrophobicContact CE1-CD2 4.31Å; F126-V243 WeakPolarHBondContact O-CG2 3.44Å; F126-E246 HydrophobicContact CE1-CB 4.26Å | ||
| 127 | P | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -58 | 145.5 | -177 | -30.3 | 39.3 | 0 | 0 | 0 | 114.5 | P129 M130 V243 A247 D309 A310 V425 | P127-P129 VanDerWaalsContact C-CD 3.47Å; P127-P129 HydrophobicContact CB-CG 3.8Å; P127-M130 HydrophobicContact CB-CG 4.27Å; P127-M130 WeakPolarHBondContact O-CB 3.3Å; P127-M130 WeakPolarHBondContact O-CG 3.37Å; P127-M130 PolarHBondContact O-N 3.09Å; P127-V243 HydrophobicContact CG-CG2 4.3Å; P127-A247 HydrophobicContact CG-CB 3.82Å; P127-D309 WeakPolarHBondContact CA-O 3.35Å; P127-A310 HydrophobicContact CB-CB 4.01Å; P127-A310 HydrophobicContact CG-CB 4.06Å; P127-V425 HydrophobicContact CB-CG2 4.12Å; P127-V425 HydrophobicContact CG-CG2 3.9Å | ||
| 128 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -49.1 | -44.2 | 171.3 | -69.1 | 0 | 0 | 0 | 0 | 114.1 | M130 V131 A132 M145 K159 Y161 D309 D311 | T128-M130 PolarHBondContact O-N 3.11Å; T128-V131 PolarHBondContact O-N 3.02Å; T128-A132 PolarHBondContact O-N 3.5Å; T128-M145 HydrophobicContact CG2-CG 4.2Å; T128-M145 WeakPolarHBondContact OG1-CG 3.43Å; T128-K159 HydrophobicContact CG2-CD 4.23Å; T128-Y161 HydrophobicContact CG2-CE2 4.37Å; T128-Y161 WeakPolarHBondContact CG2-OH 3.3Å; T128-D309 WeakPolarHBondContact CB-OD2 3.44Å; T128-D309 PolarHBondContact N-O 2.96Å; T128-D309 VanDerWaalsContact OG1-CB 3.29Å; T128-D309 WeakPolarHBondContact OG1-CB 3.38Å; T128-D309 VanDerWaalsContact OG1-CG 3.24Å; T128-D309 PolarHBondContact OG1-OD2 3.16Å; T128-D311 HydrophobicContact CG2-CB 4.46Å |
| 129 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -20 | 177 | 20 | -34.2 | 0 | 0 | 0 | 114.2 | P127 A132 F133 V419 D423 | P127-P129 VanDerWaalsContact C-CD 3.47Å; P127-P129 HydrophobicContact CB-CG 3.8Å; P129-A132 PolarHBondContact O-N 2.95Å; P129-F133 VanDerWaalsContact O-CB 3.31Å; P129-F133 WeakPolarHBondContact O-CB 3.4Å; P129-F133 PolarHBondContact O-N 2.88Å; P129-V419 HydrophobicContact CB-CG1 3.97Å; P129-D423 HydrophobicContact CB-CB 3.93Å; P129-D423 HydrophobicContact CG-CB 4.44Å |
| 130 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 174 | -61.1 | -57.9 | 141.9 | 0 | 0 | 112.1 | F122 F126 P127 T128 G134 L209 Y213 A247 | F122-M130 HydrophobicContact CE2-CB 4.06Å; F122-M130 HydrophobicContact CZ-CB 3.69Å; F126-M130 HydrophobicContact CB-CG 4.45Å; P127-M130 HydrophobicContact CB-CG 4.27Å; P127-M130 WeakPolarHBondContact O-CB 3.3Å; P127-M130 WeakPolarHBondContact O-CG 3.37Å; P127-M130 PolarHBondContact O-N 3.09Å; T128-M130 PolarHBondContact O-N 3.11Å; M130-G134 WeakPolarHBondContact O-CA 3.33Å; M130-G134 PolarHBondContact O-N 3.17Å; M130-L209 HydrophobicContact CB-CD2 3.76Å; M130-L209 HydrophobicContact CG-CD2 4.05Å; M130-L209 WeakPolarHBondContact O-CD1 3.5Å; M130-L209 HydrophobicContact SD-CD2 3.4Å; M130-L209 WeakPolarHBondContact SD-CD2 3.48Å; M130-Y213 HydrophobicContact CE-CD1 3.64Å; M130-Y213 HydrophobicContact CE-CD2 4.09Å; M130-Y213 HydrophobicContact CE-CE1 3.55Å; M130-Y213 HydrophobicContact CE-CE2 4Å; M130-Y213 HydrophobicContact CE-CG 3.92Å; M130-Y213 HydrophobicContact SD-CD1 4.26Å; M130-Y213 HydrophobicContact SD-CD2 4.36Å; M130-Y213 HydrophobicContact SD-CG 4.09Å; M130-A247 HydrophobicContact CE-CB 4.1Å |
| 131 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -50.2 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | I92 F122 T128 F133 G134 V135 M145 Y161 | I92-V131 HydrophobicContact CG2-CG1 4.21Å; F122-V131 HydrophobicContact CE1-CG2 4.41Å; F122-V131 HydrophobicContact CE2-CG2 3.76Å; F122-V131 HydrophobicContact CZ-CG2 3.61Å; T128-V131 PolarHBondContact O-N 3.02Å; V131-F133 VanDerWaalsContact C-N 3.34Å; V131-F133 PolarHBondContact O-N 3.33Å; V131-G134 PolarHBondContact O-N 2.66Å; V131-G134 VanDerWaalsContact O-N 3.16Å; V131-V135 WeakPolarHBondContact O-CG2 2.82Å; V131-V135 PolarHBondContact O-N 3.14Å; V131-M145 HydrophobicContact CB-CB 4.3Å; V131-M145 HydrophobicContact CG1-CB 4.32Å; V131-M145 HydrophobicContact CG2-CB 4.06Å; V131-M145 HydrophobicContact CG2-CG 4.35Å; V131-M145 HydrophobicContact CG2-SD 3.63Å; V131-Y161 HydrophobicContact CG1-CD2 3.87Å; V131-Y161 HydrophobicContact CG1-CE2 4.34Å |
| 132 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T128 P129 Y161 G165 V419 D421 | T128-A132 PolarHBondContact O-N 3.5Å; P129-A132 PolarHBondContact O-N 2.95Å; A132-Y161 HydrophobicContact CB-CD1 3.87Å; A132-Y161 HydrophobicContact CB-CE1 3.7Å; A132-G165 WeakPolarHBondContact CB-O 3.43Å; A132-V419 HydrophobicContact CB-CG1 3.79Å; A132-D421 HydrophobicContact CB-CB 4.17Å |
| 133 | F | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 175.6 | 178.7 | -121.5 | 0 | 0 | 0 | 112.8 | P129 V131 V135 R136 L137 L209 T212 Y213 L216 V418 V419 | P129-F133 VanDerWaalsContact O-CB 3.31Å; P129-F133 WeakPolarHBondContact O-CB 3.4Å; P129-F133 PolarHBondContact O-N 2.88Å; V131-F133 VanDerWaalsContact C-N 3.34Å; V131-F133 PolarHBondContact O-N 3.33Å; F133-V135 VanDerWaalsContact C-N 3.28Å; F133-V135 PolarHBondContact O-N 2.6Å; F133-R136 PolarHBondContact O-N 2.93Å; F133-R136 VanDerWaalsContact O-N 3.17Å; F133-L137 HydrophobicContact CE1-CB 4.36Å; F133-L137 HydrophobicContact CE1-CD2 3.87Å; F133-L137 HydrophobicContact CZ-CB 4.29Å; F133-L137 HydrophobicContact CZ-CD2 4.26Å; F133-L137 PolarHBondContact O-N 2.95Å; F133-L209 HydrophobicContact CD1-CD2 4Å; F133-L209 HydrophobicContact CD1-CG 4.22Å; F133-T212 HydrophobicContact CZ-CG2 4.17Å; F133-Y213 HydrophobicContact CD1-CD2 4.06Å; F133-Y213 HydrophobicContact CD1-CG 4.38Å; F133-Y213 HydrophobicContact CE1-CD2 4.44Å; F133-Y213 HydrophobicContact CG-CD2 4.26Å; F133-L216 HydrophobicContact CE2-CD1 3.93Å; F133-L216 HydrophobicContact CZ-CD1 3.84Å; F133-V418 HydrophobicContact CD2-CG1 3.77Å; F133-V418 VanDerWaalsContact CD2-O 3.31Å; F133-V418 WeakPolarHBondContact CD2-O 3.2Å; F133-V418 HydrophobicContact CE2-CG1 3.69Å; F133-V418 HydrophobicContact CZ-CG1 4.38Å; F133-V419 HydrophobicContact CB-CG2 4.07Å |
| 134 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -36.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M130 V131 R136 L137 F138 | M130-G134 WeakPolarHBondContact O-CA 3.33Å; M130-G134 PolarHBondContact O-N 3.17Å; V131-G134 PolarHBondContact O-N 2.66Å; V131-G134 VanDerWaalsContact O-N 3.16Å; G134-R136 VanDerWaalsContact C-N 3.34Å; G134-R136 PolarHBondContact O-N 3.15Å; G134-L137 PolarHBondContact O-N 3.11Å; G134-F138 WeakPolarHBondContact O-CB 3.1Å; G134-F138 VanDerWaalsContact O-CD2 3.28Å; G134-F138 WeakPolarHBondContact O-CD2 3.24Å; G134-F138 PolarHBondContact O-N 3.43Å |
| 135 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.3 | -50 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I92 V131 F133 K139 T140 W162 | I92-V135 HydrophobicContact CG2-CB 4.44Å; I92-V135 HydrophobicContact CG2-CG2 3.46Å; I92-V135 VanDerWaalsContact CG2-CG2 3.46Å; V131-V135 WeakPolarHBondContact O-CG2 2.82Å; V131-V135 PolarHBondContact O-N 3.14Å; F133-V135 VanDerWaalsContact C-N 3.28Å; F133-V135 PolarHBondContact O-N 2.6Å; V135-K139 CarbonylContact O-C 3.6Å; V135-K139 WeakPolarHBondContact O-CA 3.46Å; V135-K139 PolarHBondContact O-N 3.14Å; V135-T140 WeakPolarHBondContact CA-OG1 3.11Å; V135-T140 PolarHBondContact O-N 3.26Å; V135-W162 VanDerWaalsContact CG1-O 3.3Å; V135-W162 WeakPolarHBondContact CG1-O 3.42Å |
| 136 | R | 98 | Very high | 98.6 | Very high | 70 Ų | 70 | 16.4 Ų | 16.4 | 26% | 0.264 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.2 | -64.8 | -178.7 | 72.9 | -157.6 | 8.6 | 112.3 | F133 G134 K139 N164 E397 D417 W420 | F133-R136 PolarHBondContact O-N 2.93Å; F133-R136 VanDerWaalsContact O-N 3.17Å; G134-R136 VanDerWaalsContact C-N 3.34Å; G134-R136 PolarHBondContact O-N 3.15Å; R136-K139 PolarHBondContact O-N 2.7Å; R136-N164 WeakPolarHBondContact CD-O 3.23Å; R136-N164 WeakPolarHBondContact CG-O 3.48Å; R136-E397 IonicContact NH2-OE1 2.65Å; R136-E397 IonicContact NH2-OE2 2.95Å; R136-D417 PolarHBondContact NH1-O 2.7Å; R136-W420 VanDerWaalsContact CZ-CD1 3.47Å |
| 137 | L | 98.5 | Very high | 98.6 | Very high | 44 Ų | 44 | 15.3 Ų | 15.3 | 23% | 0.23 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | -177.7 | 175.6 | 61.4 | 0 | 0 | 0 | 112.2 | F133 G134 L209 T212 | F133-L137 HydrophobicContact CE1-CB 4.36Å; F133-L137 HydrophobicContact CE1-CD2 3.87Å; F133-L137 HydrophobicContact CZ-CB 4.29Å; F133-L137 HydrophobicContact CZ-CD2 4.26Å; F133-L137 PolarHBondContact O-N 2.95Å; G134-L137 PolarHBondContact O-N 3.11Å; L137-L209 HydrophobicContact CD2-CB 4.45Å; L137-T212 HydrophobicContact CD1-CG2 3.74Å; L137-T212 HydrophobicContact CD2-CG2 4.28Å |
| 138 | F | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 15.4 Ų | 15.4 | 12% | 0.123 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -92.1 | -5.2 | -178.1 | -64.7 | -69.6 | 0 | 0 | 0 | 113.1 | I92 Y120 G134 T140 P205 K208 L209 | I92-F138 HydrophobicContact CD1-CD2 4.31Å; Y120-F138 HydrophobicContact CD1-CD1 4.28Å; Y120-F138 HydrophobicContact CD1-CD2 4.47Å; Y120-F138 HydrophobicContact CD1-CE1 4.36Å; Y120-F138 HydrophobicContact CD1-CG 4.32Å; Y120-F138 HydrophobicContact CD2-CB 4.3Å; Y120-F138 HydrophobicContact CD2-CG 4.49Å; Y120-F138 AromaticContact CE1-CD1 3.59Å; Y120-F138 HydrophobicContact CE1-CD1 3.59Å; Y120-F138 AromaticContact CE1-CE1 3.82Å; Y120-F138 HydrophobicContact CE1-CE1 3.82Å; Y120-F138 AromaticContact CE1-CG 3.98Å; Y120-F138 HydrophobicContact CE1-CG 3.98Å; Y120-F138 HydrophobicContact CE1-CZ 4.42Å; Y120-F138 HydrophobicContact CE2-CB 3.84Å; Y120-F138 HydrophobicContact CE2-CD1 4.38Å; Y120-F138 HydrophobicContact CE2-CG 4.18Å; Y120-F138 AromaticContact CZ-CD1 3.62Å; Y120-F138 AromaticContact CZ-CG 3.87Å; G134-F138 WeakPolarHBondContact O-CB 3.1Å; G134-F138 VanDerWaalsContact O-CD2 3.28Å; G134-F138 WeakPolarHBondContact O-CD2 3.24Å; G134-F138 PolarHBondContact O-N 3.43Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 HydrophobicContact CB-CG2 3.9Å; F138-T140 PolarHBondContact O-N 3.21Å; F138-P205 HydrophobicContact CD2-CB 4.35Å; F138-P205 HydrophobicContact CE2-CB 3.52Å; F138-P205 HydrophobicContact CZ-CB 3.81Å; F138-K208 HydrophobicContact CE1-CD 3.96Å; F138-K208 HydrophobicContact CE1-CG 4.48Å; F138-K208 HydrophobicContact CZ-CB 4.31Å; F138-K208 HydrophobicContact CZ-CD 4.41Å; F138-K208 HydrophobicContact CZ-CG 4.44Å; F138-L209 HydrophobicContact CE2-CB 4.11Å; F138-L209 HydrophobicContact CE2-CD1 4.12Å; F138-L209 HydrophobicContact CE2-CG 4.35Å; F138-L209 HydrophobicContact CZ-CB 4.42Å |
| 139 | K | 98.2 | Very high | 98.3 | Very high | 165 Ų | 165 | 15.8 Ų | 15.8 | 72% | 0.717 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 43.5 | -175.7 | -56 | -179.1 | 178.1 | -176 | 0 | 111.5 | V135 R136 | V135-K139 CarbonylContact O-C 3.6Å; V135-K139 WeakPolarHBondContact O-CA 3.46Å; V135-K139 PolarHBondContact O-N 3.14Å; R136-K139 PolarHBondContact O-N 2.7Å |
| 140 | T | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | trans | -72.9 | 155.2 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | D89 G90 I92 Y120 V135 F138 L142 | D89-T140 WeakPolarHBondContact O-CA 3.26Å; G90-T140 WeakPolarHBondContact O-CB 3.36Å; I92-T140 HydrophobicContact CB-CG2 4.32Å; Y120-T140 HydrophobicContact CD2-CG2 3.65Å; Y120-T140 HydrophobicContact CE2-CG2 3.87Å; V135-T140 WeakPolarHBondContact CA-OG1 3.11Å; V135-T140 PolarHBondContact O-N 3.26Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 HydrophobicContact CB-CG2 3.9Å; F138-T140 PolarHBondContact O-N 3.21Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.04Å; T140-L142 PolarHBondContact OG1-O 3.03Å | ||
| 141 | A | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -64.3 | -36.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F83 L86 D89 G90 S163 | F83-A141 HydrophobicContact CB-CB 4.4Å; F83-A141 HydrophobicContact CD1-CB 4.25Å; F83-A141 HydrophobicContact CD2-CB 3.74Å; F83-A141 HydrophobicContact CE1-CB 4.4Å; F83-A141 HydrophobicContact CE2-CB 3.85Å; F83-A141 WeakPolarHBondContact CE2-O 3.42Å; F83-A141 HydrophobicContact CG-CB 3.91Å; F83-A141 HydrophobicContact CZ-CB 4.18Å; F83-A141 WeakPolarHBondContact CZ-O 3.24Å; L86-A141 HydrophobicContact CD1-CB 3.57Å; D89-A141 HydrophobicContact CB-CB 4.34Å; G90-A141 WeakPolarHBondContact O-CB 3.42Å; G90-A141 PolarHBondContact O-N 3.01Å; A141-S163 VanDerWaalsContact O-CA 3.27Å; A141-S163 WeakPolarHBondContact O-CA 3.3Å; A141-S163 VanDerWaalsContact O-CB 3.3Å; A141-S163 WeakPolarHBondContact O-CB 3.29Å; A141-S163 PolarHBondContact O-N 2.86Å; A141-S163 VanDerWaalsContact O-N 3.11Å |
| 142 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 172.4 | 177.1 | 62.5 | 86 | 0 | 0 | 0 | 111.1 | L75 S79 I91 I92 T140 V144 Y161 W162 | L75-L142 HydrophobicContact CD1-CD2 4.06Å; L75-L142 HydrophobicContact CD2-CD1 4.11Å; L75-L142 HydrophobicContact CD2-CD2 4.36Å; L75-L142 HydrophobicContact CG-CD2 4.18Å; S79-L142 WeakPolarHBondContact OG-CD2 3.37Å; I91-L142 WeakPolarHBondContact CA-O 3.26Å; I91-L142 HydrophobicContact CB-CD1 3.9Å; I91-L142 HydrophobicContact CB-CG 4.33Å; I91-L142 HydrophobicContact CD1-CD1 4.49Å; I91-L142 HydrophobicContact CG2-CD1 3.6Å; I91-L142 HydrophobicContact CG2-CD2 4.38Å; I91-L142 HydrophobicContact CG2-CG 3.63Å; I92-L142 PolarHBondContact N-O 3.33Å; I92-L142 VanDerWaalsContact N-O 3.15Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.04Å; T140-L142 PolarHBondContact OG1-O 3.03Å; L142-V144 HydrophobicContact CD1-CG2 3.89Å; L142-Y161 CarbonylContact C-O 3.55Å; L142-Y161 VanDerWaalsContact CA-O 3.24Å; L142-Y161 WeakPolarHBondContact CA-O 3.35Å; L142-Y161 WeakPolarHBondContact CB-O 3.33Å; L142-W162 HydrophobicContact CB-CE3 4.32Å; L142-W162 HydrophobicContact CD2-CZ3 4.25Å |
| 143 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I92 V160 Y161 | I92-G143 CarbonylContact O-C 3.45Å; I92-G143 WeakPolarHBondContact O-CA 3.44Å; G143-V160 WeakPolarHBondContact O-CA 3.23Å; G143-Y161 PolarHBondContact N-O 2.97Å; G143-Y161 PolarHBondContact O-N 3.34Å |
| 144 | V | 98.9 | Very high | 97.1 | 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 | -125 | 130.7 | 172.8 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | L75 I92 V93 G94 V108 L142 I146 Y158 K159 | L75-V144 HydrophobicContact CD2-CG2 3.76Å; I92-V144 PolarHBondContact O-N 3.08Å; V93-V144 CarbonylContact C-O 3.56Å; V93-V144 VanDerWaalsContact CA-O 3.29Å; V93-V144 WeakPolarHBondContact CA-O 3.43Å; V93-V144 HydrophobicContact CG1-CB 4.49Å; G94-V144 PolarHBondContact N-O 2.73Å; V108-V144 HydrophobicContact CG1-CB 4.15Å; V108-V144 HydrophobicContact CG1-CG1 4.23Å; V108-V144 HydrophobicContact CG1-CG2 4.12Å; V108-V144 HydrophobicContact CG2-CG1 4.21Å; L142-V144 HydrophobicContact CD1-CG2 3.89Å; V144-I146 HydrophobicContact CG1-CD1 3.95Å; V144-Y158 HydrophobicContact CG1-CD1 4.1Å; V144-Y158 HydrophobicContact CG1-CD2 4.22Å; V144-Y158 HydrophobicContact CG1-CE1 3.69Å; V144-Y158 HydrophobicContact CG1-CE2 3.86Å; V144-Y158 HydrophobicContact CG1-CG 4.34Å; V144-Y158 HydrophobicContact CG2-CE1 4.06Å; V144-K159 CarbonylContact C-O 3.55Å; V144-K159 VanDerWaalsContact CA-O 3.28Å; V144-K159 WeakPolarHBondContact CA-O 3.38Å |
| 145 | M | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.3 | 172.9 | -178.7 | 66.8 | -178.9 | 0 | 0 | 109.4 | G94 Y95 D96 F126 T128 V131 T147 K159 Y161 | G94-M145 WeakPolarHBondContact O-CA 3.4Å; Y95-M145 PolarHBondContact N-SD 2.84Å; Y95-M145 VanDerWaalsContact N-SD 3.4Å; D96-M145 HydrophobicContact CB-CE 4.18Å; F126-M145 WeakPolarHBondContact O-CE 3.44Å; T128-M145 HydrophobicContact CG2-CG 4.2Å; T128-M145 WeakPolarHBondContact OG1-CG 3.43Å; V131-M145 HydrophobicContact CB-CB 4.3Å; V131-M145 HydrophobicContact CG1-CB 4.32Å; V131-M145 HydrophobicContact CG2-CB 4.06Å; V131-M145 HydrophobicContact CG2-CG 4.35Å; V131-M145 HydrophobicContact CG2-SD 3.63Å; M145-T147 HydrophobicContact CB-CG2 4.49Å; M145-T147 HydrophobicContact CG-CG2 3.64Å; M145-T147 PolarHBondContact O-N 2.59Å; M145-K159 HydrophobicContact CB-CB 4.18Å; M145-K159 PolarHBondContact N-O 2.91Å; M145-K159 PolarHBondContact O-N 2.84Å; M145-Y161 HydrophobicContact CB-CE2 4.21Å |
| 146 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 108.1 | 174.9 | -53.6 | -56.6 | 0 | 0 | 0 | 109.2 | G94 Y95 D96 W104 A105 V108 V144 G157 Y158 | G94-I146 PolarHBondContact O-N 3.32Å; Y95-I146 WeakPolarHBondContact CA-O 3Å; D96-I146 PolarHBondContact N-O 3.42Å; W104-I146 HydrophobicContact CB-CD1 4.47Å; W104-I146 HydrophobicContact CB-CG1 4.29Å; W104-I146 HydrophobicContact CB-CG2 4.12Å; W104-I146 HydrophobicContact CE3-CG2 3.93Å; A105-I146 HydrophobicContact CB-CG1 4.02Å; V108-I146 HydrophobicContact CG2-CD1 4.28Å; V144-I146 HydrophobicContact CG1-CD1 3.95Å; I146-G157 WeakPolarHBondContact CA-O 3.36Å; I146-G157 WeakPolarHBondContact CG2-O 3.3Å; I146-Y158 HydrophobicContact CD1-CD2 3.55Å; I146-Y158 HydrophobicContact CD1-CE2 4.08Å; I146-Y158 HydrophobicContact CD1-CG 4.18Å |
| 147 | T | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | trans | -171.1 | 150.8 | -177.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | D96 M145 S149 G157 K159 D309 | D96-T147 WeakPolarHBondContact OD2-CA 3.36Å; D96-T147 VanDerWaalsContact OD2-CB 3.24Å; D96-T147 WeakPolarHBondContact OD2-CB 3.29Å; D96-T147 PolarHBondContact OD2-OG1 2.88Å; M145-T147 HydrophobicContact CB-CG2 4.49Å; M145-T147 HydrophobicContact CG-CG2 3.64Å; M145-T147 PolarHBondContact O-N 2.59Å; T147-S149 PolarHBondContact OG1-N 2.93Å; T147-G157 PolarHBondContact N-O 3.44Å; T147-G157 CarbonylContact O-C 3.56Å; T147-G157 WeakPolarHBondContact O-CA 3.44Å; T147-G157 PolarHBondContact O-N 2.75Å; T147-K159 HydrophobicContact CG2-CD 3.6Å; T147-K159 HydrophobicContact CG2-CG 4.13Å; T147-D309 HydrophobicContact CG2-CB 4.43Å; T147-D309 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 148 | A | 95.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | trans | -109.4 | 19.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R53 H150 N151 D155 | R53-A148 HydrophobicContact CG-CB 4.13Å; A148-H150 PolarHBondContact O-N 3.01Å; A148-N151 HydrophobicContact CB-CB 3.8Å; A148-N151 VanDerWaalsContact O-CB 3.23Å; A148-N151 WeakPolarHBondContact O-CB 3.27Å; A148-N151 PolarHBondContact O-N 3.1Å; A148-N151 PolarHBondContact O-OD1 3.09Å; A148-D155 HydrophobicContact CB-CB 4.01Å | ||
| 149 | S | 94.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -125.3 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | R98 T147 N151 D307 D309 D311 R312 | R98-S149 PolarHBondContact NH2-O 3.42Å; T147-S149 PolarHBondContact OG1-N 2.93Å; S149-N151 VanDerWaalsContact C-N 3.34Å; S149-N151 PolarHBondContact O-N 3.43Å; S149-D307 PolarHBondContact OG-OD2 2.81Å; S149-D309 VanDerWaalsContact CA-CG 3.45Å; S149-D309 VanDerWaalsContact CA-OD1 3.24Å; S149-D309 WeakPolarHBondContact CA-OD1 3.39Å; S149-D309 VanDerWaalsContact CB-OD1 3.3Å; S149-D309 WeakPolarHBondContact CB-OD1 3.44Å; S149-D309 WeakPolarHBondContact CB-OD2 3.33Å; S149-D309 PolarHBondContact OG-OD1 3.5Å; S149-D309 VanDerWaalsContact OG-OD1 3.13Å; S149-D311 PolarHBondContact OG-OD1 3.3Å; S149-R312 PolarHBondContact OG-NH1 3.04Å |
| 150 | H | 92.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 16.2 Ų | 16.2 | 17% | 0.171 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.9 | 175.7 | 70.2 | -40.4 | 0 | 0 | 0 | 117.6 | A148 N280 D307 R312 | A148-H150 PolarHBondContact O-N 3.01Å; H150-N280 HydrophobicContact CB-CB 3.86Å; H150-D307 HydrophobicContact CB-CB 4.09Å; H150-R312 VanDerWaalsContact CB-NH1 3.35Å; H150-R312 PolarHBondContact CD2-NH2 3.25Å; H150-R312 PolarHBondContact CE1-NH2 3.25Å; H150-R312 PolarHBondContact ND1-NH1 3.5Å; H150-R312 PolarHBondContact ND1-NH2 3.09Å; H150-R312 PolarHBondContact NE2-NH2 2.88Å |
| 151 | N | 92.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 16.1 Ų | 16.1 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -64.9 | 166.5 | -174.1 | -81.2 | 75.9 | 0 | 0 | 0 | 113.5 | R53 R98 A148 S149 D155 P279 | R53-N151 WeakPolarHBondContact CD-OD1 3.2Å; R53-N151 PolarHBondContact NH1-OD1 3.39Å; R98-N151 PolarHBondContact NH1-O 2.92Å; R98-N151 PolarHBondContact NH2-O 2.68Å; A148-N151 HydrophobicContact CB-CB 3.8Å; A148-N151 VanDerWaalsContact O-CB 3.23Å; A148-N151 WeakPolarHBondContact O-CB 3.27Å; A148-N151 PolarHBondContact O-N 3.1Å; A148-N151 PolarHBondContact O-OD1 3.09Å; S149-N151 VanDerWaalsContact C-N 3.34Å; S149-N151 PolarHBondContact O-N 3.43Å; N151-D155 HydrophobicContact CB-CB 3.87Å; N151-D155 PolarHBondContact ND2-OD2 2.99Å; N151-D155 VanDerWaalsContact ND2-OD2 3.13Å; N151-P279 WeakPolarHBondContact O-CG 3.41Å |
| 152 | P | 92.3 | Very high | 96.8 | Very high | 46 Ų | 46 | 17.1 Ų | 17.1 | 30% | 0.299 | 9% | 0.087 | S | C | . | . | trans | -52.6 | 155 | 174.6 | -27.3 | 36.3 | 0 | 0 | 0 | 113.5 | R98 D154 D155 Y278 | R98-P152 PolarHBondContact NH1-O 3.04Å; P152-D154 PolarHBondContact O-N 2.78Å; P152-D154 VanDerWaalsContact O-N 3.17Å; P152-D155 WeakPolarHBondContact O-CB 3.42Å; P152-D155 PolarHBondContact O-N 2.76Å; P152-Y278 HydrophobicContact CG-CD1 4.06Å; P152-Y278 HydrophobicContact CG-CE1 3.9Å | ||
| 153 | K | 95.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 19.7 Ų | 19.7 | 40% | 0.4 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32 | -174.8 | 73.3 | -173.4 | -176.4 | 175.3 | 0 | 115.2 | M56 D155 D272 F273 | M56-K153 WeakPolarHBondContact CE-O 3.47Å; K153-D155 PolarHBondContact O-N 3.46Å; K153-D272 WeakPolarHBondContact CD-O 3.43Å; K153-F273 HydrophobicContact CB-CD2 3.63Å; K153-F273 HydrophobicContact CB-CE2 4.1Å |
| 154 | D | 96.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 21.6 Ų | 21.6 | 37% | 0.374 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.4 | -179.7 | -68.9 | -3 | 0 | 0 | 0 | 112.3 | R55 M56 P152 | R55-D154 HydrophobicContact CG-CB 4.15Å; R55-D154 IonicContact CZ-OD2 3.5Å; R55-D154 IonicContact NE-OD2 2.75Å; R55-D154 IonicContact NH2-OD2 2.77Å; R55-D154 PolarHBondContact NH2-OD2 3.27Å; M56-D154 WeakPolarHBondContact CB-O 3.33Å; M56-D154 WeakPolarHBondContact CG-O 3.35Å; M56-D154 PolarHBondContact N-O 3.29Å; P152-D154 PolarHBondContact O-N 2.78Å; P152-D154 VanDerWaalsContact O-N 3.17Å |
| 155 | D | 95.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 21.6 Ų | 21.6 | 16% | 0.16 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 150.2 | 175.2 | -71.7 | 2.2 | 0 | 0 | 0 | 111.2 | A54 R55 R98 A148 N151 P152 K153 | A54-D155 WeakPolarHBondContact O-CA 3.4Å; R55-D155 WeakPolarHBondContact CA-OD1 3.38Å; R55-D155 PolarHBondContact N-OD1 3.47Å; R98-D155 WeakPolarHBondContact CD-O 3.05Å; R98-D155 PolarHBondContact NH1-O 3.13Å; A148-D155 HydrophobicContact CB-CB 4.01Å; N151-D155 HydrophobicContact CB-CB 3.87Å; N151-D155 PolarHBondContact ND2-OD2 2.99Å; N151-D155 VanDerWaalsContact ND2-OD2 3.13Å; P152-D155 WeakPolarHBondContact O-CB 3.42Å; P152-D155 PolarHBondContact O-N 2.76Å; K153-D155 PolarHBondContact O-N 3.46Å |
| 156 | N | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 177.1 | 165.4 | -161 | -12.4 | 0 | 0 | 0 | 108.9 | A54 M56 M63 H99 S101 W104 | A54-N156 PolarHBondContact N-O 2.97Å; A54-N156 PolarHBondContact O-N 2.7Å; A54-N156 VanDerWaalsContact O-O 3.08Å; M56-N156 HydrophobicContact CE-CB 4.21Å; M56-N156 HydrophobicContact CG-CB 3.71Å; M56-N156 HydrophobicContact SD-CB 3.63Å; M63-N156 WeakPolarHBondContact CG-O 3.47Å; H99-N156 PolarHBondContact O-ND2 2.96Å; S101-N156 PolarHBondContact OG-ND2 3.27Å; S101-N156 PolarHBondContact OG-OD1 2.75Å; W104-N156 HydrophobicContact CE3-CB 4.48Å; W104-N156 HydrophobicContact CH2-CB 4.16Å; W104-N156 HydrophobicContact CZ3-CB 3.57Å; W104-N156 WeakPolarHBondContact CZ3-ND2 3.2Å |
| 157 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 171.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L52 I146 T147 | L52-G157 CarbonylContact O-C 3.59Å; L52-G157 WeakPolarHBondContact O-CA 3.44Å; I146-G157 WeakPolarHBondContact CA-O 3.36Å; I146-G157 WeakPolarHBondContact CG2-O 3.3Å; T147-G157 PolarHBondContact N-O 3.44Å; T147-G157 CarbonylContact O-C 3.56Å; T147-G157 WeakPolarHBondContact O-CA 3.44Å; T147-G157 PolarHBondContact O-N 2.75Å |
| 158 | Y | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 99.1 | -176.6 | -171.3 | -73.7 | 0 | 0 | 0 | 106.9 | G51 L52 I68 T71 T72 L75 V108 V144 I146 V160 | G51-Y158 CarbonylContact C-O 3.57Å; G51-Y158 WeakPolarHBondContact CA-O 3.16Å; L52-Y158 PolarHBondContact N-O 3.04Å; L52-Y158 PolarHBondContact O-N 2.83Å; I68-Y158 HydrophobicContact CD1-CD2 3.76Å; T71-Y158 HydrophobicContact CG2-CD1 4.14Å; T71-Y158 HydrophobicContact CG2-CD2 4.37Å; T71-Y158 HydrophobicContact CG2-CE1 4.05Å; T71-Y158 HydrophobicContact CG2-CE2 4.26Å; T71-Y158 HydrophobicContact CG2-CG 4.31Å; T72-Y158 WeakPolarHBondContact OG1-CE2 3.48Å; T72-Y158 PolarHBondContact OG1-OH 3.48Å; L75-Y158 HydrophobicContact CD2-CE1 4.07Å; L75-Y158 VanDerWaalsContact CD2-OH 3.29Å; L75-Y158 WeakPolarHBondContact CD2-OH 3.5Å; V108-Y158 HydrophobicContact CG2-CD2 4.45Å; V108-Y158 HydrophobicContact CG2-CE2 3.51Å; V144-Y158 HydrophobicContact CG1-CD1 4.1Å; V144-Y158 HydrophobicContact CG1-CD2 4.22Å; V144-Y158 HydrophobicContact CG1-CE1 3.69Å; V144-Y158 HydrophobicContact CG1-CE2 3.86Å; V144-Y158 HydrophobicContact CG1-CG 4.34Å; V144-Y158 HydrophobicContact CG2-CE1 4.06Å; I146-Y158 HydrophobicContact CD1-CD2 3.55Å; I146-Y158 HydrophobicContact CD1-CE2 4.08Å; I146-Y158 HydrophobicContact CD1-CG 4.18Å; Y158-V160 HydrophobicContact CD1-CG2 3.7Å; Y158-V160 HydrophobicContact CE1-CG2 3.47Å; Y158-V160 VanDerWaalsContact CE1-CG2 3.47Å |
| 159 | K | 98 | Very high | 96.1 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.4 | 178.6 | -67.2 | 179.8 | 178.6 | 171.8 | 0 | 110.6 | A50 T128 V144 M145 T147 Y161 D309 D311 | A50-K159 CarbonylContact O-C 3.31Å; A50-K159 WeakPolarHBondContact O-CA 3.45Å; T128-K159 HydrophobicContact CG2-CD 4.23Å; V144-K159 CarbonylContact C-O 3.55Å; V144-K159 VanDerWaalsContact CA-O 3.28Å; V144-K159 WeakPolarHBondContact CA-O 3.38Å; M145-K159 HydrophobicContact CB-CB 4.18Å; M145-K159 PolarHBondContact N-O 2.91Å; M145-K159 PolarHBondContact O-N 2.84Å; T147-K159 HydrophobicContact CG2-CD 3.6Å; T147-K159 HydrophobicContact CG2-CG 4.13Å; K159-Y161 HydrophobicContact CB-CE2 4.05Å; K159-D309 IonicContact NZ-OD2 2.99Å; K159-D309 PolarHBondContact NZ-OD2 3.38Å; K159-D311 IonicContact NZ-OD2 2.74Å; K159-D311 PolarHBondContact NZ-OD2 3.05Å |
| 160 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.1 | 175.6 | -175 | 0 | 0 | 0 | 0 | 111.7 | F47 A50 L75 G143 Y158 Q167 I168 | F47-V160 HydrophobicContact CE2-CG2 4.48Å; F47-V160 HydrophobicContact CZ-CG2 3.86Å; A50-V160 PolarHBondContact O-N 3.44Å; L75-V160 HydrophobicContact CD1-CG1 4.24Å; L75-V160 HydrophobicContact CD2-CG2 4.32Å; G143-V160 WeakPolarHBondContact O-CA 3.23Å; Y158-V160 HydrophobicContact CD1-CG2 3.7Å; Y158-V160 HydrophobicContact CE1-CG2 3.47Å; Y158-V160 VanDerWaalsContact CE1-CG2 3.47Å; V160-Q167 WeakPolarHBondContact O-CA 3.16Å; V160-I168 HydrophobicContact CB-CD1 4.07Å; V160-I168 HydrophobicContact CB-CG1 4.3Å; V160-I168 HydrophobicContact CB-CG2 4.24Å; V160-I168 HydrophobicContact CG1-CD1 4.41Å; V160-I168 HydrophobicContact CG1-CG2 3.76Å; V160-I168 PolarHBondContact O-N 3.27Å |
| 161 | Y | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.7 | 173.4 | -66.4 | -91.2 | 0 | 0 | 0 | 109.5 | T128 V131 A132 L142 G143 M145 K159 G165 C166 Q167 D421 | T128-Y161 HydrophobicContact CG2-CE2 4.37Å; T128-Y161 WeakPolarHBondContact CG2-OH 3.3Å; V131-Y161 HydrophobicContact CG1-CD2 3.87Å; V131-Y161 HydrophobicContact CG1-CE2 4.34Å; A132-Y161 HydrophobicContact CB-CD1 3.87Å; A132-Y161 HydrophobicContact CB-CE1 3.7Å; L142-Y161 CarbonylContact C-O 3.55Å; L142-Y161 VanDerWaalsContact CA-O 3.24Å; L142-Y161 WeakPolarHBondContact CA-O 3.35Å; L142-Y161 WeakPolarHBondContact CB-O 3.33Å; G143-Y161 PolarHBondContact N-O 2.97Å; G143-Y161 PolarHBondContact O-N 3.34Å; M145-Y161 HydrophobicContact CB-CE2 4.21Å; K159-Y161 HydrophobicContact CB-CE2 4.05Å; Y161-G165 WeakPolarHBondContact CD1-O 3.49Å; Y161-C166 CarbonylContact C-O 3.3Å; Y161-C166 VanDerWaalsContact CA-O 3.24Å; Y161-C166 WeakPolarHBondContact CA-O 3.28Å; Y161-Q167 HydrophobicContact CD1-CG 4.09Å; Y161-Q167 HydrophobicContact CE1-CG 3.59Å; Y161-D421 HydrophobicContact CE1-CB 4.21Å; Y161-D421 WeakPolarHBondContact CE1-OD2 3.39Å; Y161-D421 VanDerWaalsContact CZ-OD2 3.31Å; Y161-D421 PolarHBondContact OH-OD2 3.12Å |
| 162 | W | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 179.6 | 177.3 | -153.3 | -119.5 | 0 | 0 | 0 | 112 | Y78 T82 F83 V135 L142 N164 G165 C166 I168 H172 | Y78-W162 HydrophobicContact CD1-CH2 4.17Å; Y78-W162 AromaticContact CE1-CH2 3.95Å; Y78-W162 HydrophobicContact CE1-CH2 3.95Å; T82-W162 HydrophobicContact CG2-CH2 4.2Å; T82-W162 HydrophobicContact CG2-CZ2 3.65Å; F83-W162 AromaticContact CD2-CH2 3.98Å; F83-W162 HydrophobicContact CD2-CH2 3.98Å; F83-W162 HydrophobicContact CD2-CZ2 4.07Å; F83-W162 AromaticContact CE1-CZ2 3.99Å; F83-W162 HydrophobicContact CE1-CZ2 3.99Å; F83-W162 HydrophobicContact CE2-CD2 4.17Å; F83-W162 AromaticContact CE2-CE2 3.68Å; F83-W162 HydrophobicContact CE2-CE3 4.13Å; F83-W162 AromaticContact CE2-CH2 3.12Å; F83-W162 HydrophobicContact CE2-CH2 3.12Å; F83-W162 AromaticContact CE2-CZ2 3.14Å; F83-W162 HydrophobicContact CE2-CZ2 3.14Å; F83-W162 AromaticContact CE2-CZ3 3.64Å; F83-W162 HydrophobicContact CE2-CZ3 3.64Å; F83-W162 AromaticContact CZ-CD2 3.8Å; F83-W162 HydrophobicContact CZ-CD2 3.8Å; F83-W162 AromaticContact CZ-CE2 3.18Å; F83-W162 HydrophobicContact CZ-CE3 4.21Å; F83-W162 HydrophobicContact CZ-CG 4.5Å; F83-W162 AromaticContact CZ-CH2 3.62Å; F83-W162 HydrophobicContact CZ-CH2 3.62Å; F83-W162 AromaticContact CZ-CZ2 3.09Å; F83-W162 HydrophobicContact CZ-CZ2 3.09Å; F83-W162 HydrophobicContact CZ-CZ3 4.14Å; F83-W162 AromaticContact CZ-NE1 3.56Å; V135-W162 VanDerWaalsContact CG1-O 3.3Å; V135-W162 WeakPolarHBondContact CG1-O 3.42Å; L142-W162 HydrophobicContact CB-CE3 4.32Å; L142-W162 HydrophobicContact CD2-CZ3 4.25Å; W162-N164 PolarHBondContact O-N 3.49Å; W162-G165 PolarHBondContact O-N 3.2Å; W162-C166 PolarHBondContact N-O 3.05Å; W162-I168 HydrophobicContact CB-CG2 4.06Å; W162-I168 HydrophobicContact CD2-CG2 4.48Å; W162-I168 HydrophobicContact CE3-CG2 3.99Å; W162-H172 AromaticContact CD1-NE2 3.9Å; W162-H172 AromaticContact CE2-CE1 3.35Å; W162-H172 AromaticContact CE2-ND1 3.51Å; W162-H172 AromaticContact CE2-NE2 3.81Å; W162-H172 AromaticContact CH2-ND1 3.78Å; W162-H172 AromaticContact CZ2-CE1 3.43Å; W162-H172 VanDerWaalsContact CZ2-CE1 3.43Å; W162-H172 WeakPolarHBondContact CZ2-CE1 3.31Å; W162-H172 AromaticContact CZ2-ND1 3.33Å; W162-H172 VanDerWaalsContact CZ2-ND1 3.33Å; W162-H172 WeakPolarHBondContact CZ2-ND1 3.34Å; W162-H172 AromaticContact NE1-CE1 3.38Å; W162-H172 PolarHBondContact NE1-CE1 2.9Å; W162-H172 AromaticContact NE1-NE2 3.52Å |
| 163 | S | 97.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.2 | -173.9 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | A141 G165 | A141-S163 VanDerWaalsContact O-CA 3.27Å; A141-S163 WeakPolarHBondContact O-CA 3.3Å; A141-S163 VanDerWaalsContact O-CB 3.3Å; A141-S163 WeakPolarHBondContact O-CB 3.29Å; A141-S163 PolarHBondContact O-N 2.86Å; A141-S163 VanDerWaalsContact O-N 3.11Å; S163-G165 VanDerWaalsContact C-N 3.33Å |
| 164 | N | 96.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.4 | 174.1 | 64.3 | -7.1 | 0 | 0 | 0 | 113.6 | R136 W162 C166 N391 | R136-N164 WeakPolarHBondContact CD-O 3.23Å; R136-N164 WeakPolarHBondContact CG-O 3.48Å; W162-N164 PolarHBondContact O-N 3.49Å; N164-C166 VanDerWaalsContact C-N 3.29Å; N164-C166 WeakPolarHBondContact OD1-CB 3.29Å; N164-C166 PolarHBondContact OD1-N 3.26Å; N164-C166 VanDerWaalsContact OD1-N 3.09Å; N164-N391 PolarHBondContact ND2-OD1 3.37Å |
| 165 | G | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 80.2 | 5.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A132 Y161 W162 S163 | A132-G165 WeakPolarHBondContact CB-O 3.43Å; Y161-G165 WeakPolarHBondContact CD1-O 3.49Å; W162-G165 PolarHBondContact O-N 3.2Å; S163-G165 VanDerWaalsContact C-N 3.33Å |
| 166 | C | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -95.9 | 156.6 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | Y161 W162 N164 G390 N391 C394 W420 | Y161-C166 CarbonylContact C-O 3.3Å; Y161-C166 VanDerWaalsContact CA-O 3.24Å; Y161-C166 WeakPolarHBondContact CA-O 3.28Å; W162-C166 PolarHBondContact N-O 3.05Å; N164-C166 VanDerWaalsContact C-N 3.29Å; N164-C166 WeakPolarHBondContact OD1-CB 3.29Å; N164-C166 PolarHBondContact OD1-N 3.26Å; N164-C166 VanDerWaalsContact OD1-N 3.09Å; C166-G390 PolarHBondContact SG-O 3.35Å; C166-N391 WeakPolarHBondContact CB-ND2 3.2Å; C166-C394 VanDerWaalsContact SG-SG 3.68Å; C166-W420 WeakPolarHBondContact SG-CB 3.19Å |
| 167 | Q | 96.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 25 Ų | 25 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 146.2 | 168.5 | -67.8 | 175.4 | 38.8 | 0 | 0 | 110.8 | V160 Y161 K387 N391 D421 | V160-Q167 WeakPolarHBondContact O-CA 3.16Å; Y161-Q167 HydrophobicContact CD1-CG 4.09Å; Y161-Q167 HydrophobicContact CE1-CG 3.59Å; Q167-K387 HydrophobicContact CB-CB 3.69Å; Q167-N391 PolarHBondContact O-ND2 2.93Å; Q167-N391 VanDerWaalsContact O-ND2 3.11Å; Q167-D421 PolarHBondContact NE2-OD1 3.18Å; Q167-D421 PolarHBondContact NE2-OD2 3.17Å |
| 168 | I | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 146.1 | -176.6 | 55.4 | 169.1 | 0 | 0 | 0 | 113.1 | F47 T49 V160 W162 H172 D173 I176 | F47-I168 HydrophobicContact CE1-CD1 3.5Å; F47-I168 HydrophobicContact CZ-CD1 4.04Å; T49-I168 CarbonylContact C-O 3.26Å; T49-I168 VanDerWaalsContact C-O 3.3Å; V160-I168 HydrophobicContact CB-CD1 4.07Å; V160-I168 HydrophobicContact CB-CG1 4.3Å; V160-I168 HydrophobicContact CB-CG2 4.24Å; V160-I168 HydrophobicContact CG1-CD1 4.41Å; V160-I168 HydrophobicContact CG1-CG2 3.76Å; V160-I168 PolarHBondContact O-N 3.27Å; W162-I168 HydrophobicContact CB-CG2 4.06Å; W162-I168 HydrophobicContact CD2-CG2 4.48Å; W162-I168 HydrophobicContact CE3-CG2 3.99Å; I168-H172 HydrophobicContact CB-CB 4.3Å; I168-H172 HydrophobicContact CG2-CB 4.35Å; I168-D173 HydrophobicContact CD1-CB 4.23Å; I168-I176 HydrophobicContact CD1-CD1 3.86Å |
| 169 | I | 92 | Very high | 96.3 | Very high | 32 Ų | 32 | 28 Ų | 28 | 16% | 0.164 | 18% | 0.175 | C | C | . | . | trans | -126.7 | 171.2 | 169.6 | 57.4 | 173 | 0 | 0 | 0 | 109.3 | H172 K387 W388 N391 | I169-H172 WeakPolarHBondContact O-CB 3.34Å; I169-H172 PolarHBondContact O-N 3.4Å; I169-K387 HydrophobicContact CG2-CB 4.01Å; I169-K387 HydrophobicContact CG2-CD 4.12Å; I169-K387 HydrophobicContact CG2-CG 3.96Å; I169-W388 HydrophobicContact CG2-CE3 4.38Å; I169-W388 HydrophobicContact CG2-CZ3 4.35Å; I169-N391 HydrophobicContact CD1-CB 4.24Å | ||
| 170 | S | 90.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 27.5 Ų | 27.5 | 53% | 0.531 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 143.9 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 112 | D173 | S170-D173 WeakPolarHBondContact CA-OD1 3.14Å; S170-D173 WeakPolarHBondContact CB-OD1 3.37Å; S170-D173 PolarHBondContact OG-OD1 2.86Å; S170-D173 PolarHBondContact OG-OD2 3.43Å |
| 171 | P | 93.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 53% | 0.532 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.2 | 0.6 | 7.6 | 35.5 | -36.5 | 0 | 0 | 0 | 115.2 | D173 S174 G175 | P171-D173 PolarHBondContact O-N 3.03Å; P171-S174 PolarHBondContact O-N 2.85Å; P171-S174 PolarHBondContact O-OG 2.97Å; P171-G175 PolarHBondContact O-N 2.87Å |
| 172 | H | 95.5 | Very high | 96.2 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | -172.2 | -59.6 | -68.2 | 0 | 0 | 0 | 113.3 | Y78 W162 I168 I169 G175 I176 | Y78-H172 HydrophobicContact CE1-CB 4.16Å; Y78-H172 AromaticContact CE1-ND1 3.75Å; W162-H172 AromaticContact CD1-NE2 3.9Å; W162-H172 AromaticContact CE2-CE1 3.35Å; W162-H172 AromaticContact CE2-ND1 3.51Å; W162-H172 AromaticContact CE2-NE2 3.81Å; W162-H172 AromaticContact CH2-ND1 3.78Å; W162-H172 AromaticContact CZ2-CE1 3.43Å; W162-H172 VanDerWaalsContact CZ2-CE1 3.43Å; W162-H172 WeakPolarHBondContact CZ2-CE1 3.31Å; W162-H172 AromaticContact CZ2-ND1 3.33Å; W162-H172 VanDerWaalsContact CZ2-ND1 3.33Å; W162-H172 WeakPolarHBondContact CZ2-ND1 3.34Å; W162-H172 AromaticContact NE1-CE1 3.38Å; W162-H172 PolarHBondContact NE1-CE1 2.9Å; W162-H172 AromaticContact NE1-NE2 3.52Å; I168-H172 HydrophobicContact CB-CB 4.3Å; I168-H172 HydrophobicContact CG2-CB 4.35Å; I169-H172 WeakPolarHBondContact O-CB 3.34Å; I169-H172 PolarHBondContact O-N 3.4Å; H172-G175 PolarHBondContact O-N 3.42Å; H172-I176 WeakPolarHBondContact O-CB 3.44Å; H172-I176 WeakPolarHBondContact O-CD1 3.46Å; H172-I176 WeakPolarHBondContact O-CG1 3.46Å; H172-I176 PolarHBondContact O-N 3.38Å |
| 173 | D | 93.6 | Very high | 96.2 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -50.4 | 176.1 | 61.3 | -18.9 | 0 | 0 | 0 | 112.6 | T49 I168 S170 P171 I176 S177 | T49-D173 HydrophobicContact CG2-CB 4.41Å; T49-D173 WeakPolarHBondContact CG2-OD2 3.45Å; I168-D173 HydrophobicContact CD1-CB 4.23Å; S170-D173 WeakPolarHBondContact CA-OD1 3.14Å; S170-D173 WeakPolarHBondContact CB-OD1 3.37Å; S170-D173 PolarHBondContact OG-OD1 2.86Å; S170-D173 PolarHBondContact OG-OD2 3.43Å; P171-D173 PolarHBondContact O-N 3.03Å; D173-I176 PolarHBondContact O-N 3.39Å; D173-S177 WeakPolarHBondContact O-CB 3.21Å; D173-S177 PolarHBondContact O-N 3.18Å |
| 174 | S | 94 | Very high | 96.1 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 43% | 0.434 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -37.1 | 179.4 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | P171 S177 S178 | P171-S174 PolarHBondContact O-N 2.85Å; P171-S174 PolarHBondContact O-OG 2.97Å; S174-S177 PolarHBondContact O-N 3.29Å; S174-S178 WeakPolarHBondContact O-CB 3.15Å; S174-S178 PolarHBondContact O-N 3.29Å; S174-S178 PolarHBondContact O-OG 3.1Å |
| 175 | G | 97.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y78 P171 H172 C179 | Y78-G175 WeakPolarHBondContact CD2-O 3.44Å; Y78-G175 VanDerWaalsContact CE2-CA 3.43Å; P171-G175 PolarHBondContact O-N 2.87Å; H172-G175 PolarHBondContact O-N 3.42Å; G175-C179 PolarHBondContact O-N 2.96Å; G175-C179 VanDerWaalsContact O-N 3.07Å; G175-C179 PolarHBondContact O-SG 2.84Å |
| 176 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -50.4 | 172.3 | -67.1 | 161.1 | 0 | 0 | 0 | 109.6 | F47 L75 Y78 I168 H172 D173 S178 C179 I180 | F47-I176 HydrophobicContact CD1-CB 4.2Å; F47-I176 HydrophobicContact CD1-CG2 3.95Å; F47-I176 HydrophobicContact CD2-CG2 4.38Å; F47-I176 HydrophobicContact CE1-CB 3.8Å; F47-I176 HydrophobicContact CE1-CD1 3.91Å; F47-I176 HydrophobicContact CE1-CG1 4.47Å; F47-I176 HydrophobicContact CE1-CG2 3.52Å; F47-I176 HydrophobicContact CE2-CG2 4.02Å; F47-I176 HydrophobicContact CG-CG2 4.36Å; F47-I176 HydrophobicContact CZ-CB 4.32Å; F47-I176 HydrophobicContact CZ-CD1 4.21Å; F47-I176 HydrophobicContact CZ-CG2 3.58Å; L75-I176 HydrophobicContact CD1-CD1 3.58Å; L75-I176 HydrophobicContact CD1-CG1 3.84Å; L75-I176 HydrophobicContact CD1-CG2 4.31Å; Y78-I176 HydrophobicContact CD1-CD1 4.26Å; Y78-I176 HydrophobicContact CD1-CG1 3.41Å; Y78-I176 VanDerWaalsContact CD1-CG1 3.41Å; Y78-I176 HydrophobicContact CE1-CG1 4.03Å; Y78-I176 HydrophobicContact CG-CG1 3.89Å; I168-I176 HydrophobicContact CD1-CD1 3.86Å; H172-I176 WeakPolarHBondContact O-CB 3.44Å; H172-I176 WeakPolarHBondContact O-CD1 3.46Å; H172-I176 WeakPolarHBondContact O-CG1 3.46Å; H172-I176 PolarHBondContact O-N 3.38Å; D173-I176 PolarHBondContact O-N 3.39Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.97Å; I176-C179 CarbonylContact O-C 3.35Å; I176-C179 PolarHBondContact O-N 3.34Å; I176-I180 HydrophobicContact CG2-CD1 3.8Å; I176-I180 HydrophobicContact CG2-CG1 4.16Å; I176-I180 WeakPolarHBondContact O-CG1 3.18Å; I176-I180 PolarHBondContact O-N 3.31Å |
| 177 | S | 96.7 | Very high | 96.3 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.1 | -45.5 | 178.9 | -177 | 0 | 0 | 0 | 0 | 112.1 | D173 S174 I180 L181 | D173-S177 WeakPolarHBondContact O-CB 3.21Å; D173-S177 PolarHBondContact O-N 3.18Å; S174-S177 PolarHBondContact O-N 3.29Å; S177-I180 WeakPolarHBondContact O-CB 3.41Å; S177-I180 PolarHBondContact O-N 3.21Å; S177-L181 PolarHBondContact O-N 3.5Å |
| 178 | S | 98 | Very high | 96.3 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.7 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | S174 I176 I180 L181 E182 | S174-S178 WeakPolarHBondContact O-CB 3.15Å; S174-S178 PolarHBondContact O-N 3.29Å; S174-S178 PolarHBondContact O-OG 3.1Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.97Å; S178-I180 VanDerWaalsContact C-N 3.3Å; S178-I180 PolarHBondContact O-N 3.49Å; S178-L181 PolarHBondContact O-N 3.4Å; S178-E182 WeakPolarHBondContact O-CG 3.33Å; S178-E182 PolarHBondContact O-N 3.44Å; S178-E182 VanDerWaalsContact O-N 3.13Å |
| 179 | C | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.3 | -27.6 | 178.7 | -68.8 | 0 | 0 | 0 | 0 | 113.5 | G74 K77 K81 G175 I176 E182 S183 | G74-C179 WeakPolarHBondContact CA-O 3.33Å; G74-C179 WeakPolarHBondContact O-CB 3.46Å; K77-C179 HydrophobicContact CB-CB 4.22Å; K77-C179 HydrophobicContact CD-CB 4.3Å; K77-C179 HydrophobicContact CG-CB 4.39Å; K81-C179 PolarHBondContact NZ-SG 2.87Å; G175-C179 PolarHBondContact O-N 2.96Å; G175-C179 VanDerWaalsContact O-N 3.07Å; G175-C179 PolarHBondContact O-SG 2.84Å; I176-C179 CarbonylContact O-C 3.35Å; I176-C179 PolarHBondContact O-N 3.34Å; C179-E182 PolarHBondContact O-N 3.43Å; C179-S183 VanDerWaalsContact O-CB 3.29Å; C179-S183 WeakPolarHBondContact O-CB 3.29Å; C179-S183 PolarHBondContact O-N 2.95Å; C179-S183 PolarHBondContact O-OG 3.3Å |
| 180 | I | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 172.4 | -66.5 | 170.6 | 0 | 0 | 0 | 109.8 | F47 T71 I176 S177 S178 E182 S183 L184 | F47-I180 HydrophobicContact CB-CD1 4.28Å; F47-I180 HydrophobicContact CD2-CD1 3.64Å; F47-I180 HydrophobicContact CE2-CD1 4.19Å; F47-I180 HydrophobicContact CG-CD1 4.02Å; T71-I180 HydrophobicContact CG2-CD1 3.89Å; I176-I180 HydrophobicContact CG2-CD1 3.8Å; I176-I180 HydrophobicContact CG2-CG1 4.16Å; I176-I180 WeakPolarHBondContact O-CG1 3.18Å; I176-I180 PolarHBondContact O-N 3.31Å; S177-I180 WeakPolarHBondContact O-CB 3.41Å; S177-I180 PolarHBondContact O-N 3.21Å; S178-I180 VanDerWaalsContact C-N 3.3Å; S178-I180 PolarHBondContact O-N 3.49Å; I180-E182 PolarHBondContact O-N 2.92Å; I180-S183 CarbonylContact O-C 3.58Å; I180-S183 PolarHBondContact O-N 3.32Å; I180-L184 WeakPolarHBondContact O-CD2 3.23Å |
| 181 | L | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 52 Ų | 52 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -27.9 | 177.9 | -63.9 | 176.2 | 0 | 0 | 0 | 112.6 | S177 S178 S183 L184 | S177-L181 PolarHBondContact O-N 3.5Å; S178-L181 PolarHBondContact O-N 3.4Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-L184 WeakPolarHBondContact O-CG 3.48Å |
| 182 | E | 98.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 52 Ų | 52 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.9 | 173 | -60.8 | 170.3 | -171.2 | 0 | 0 | 114.1 | K77 K81 S178 C179 I180 | K77-E182 WeakPolarHBondContact CE-OE2 3.16Å; K77-E182 IonicContact NZ-OE2 3.52Å; K77-E182 PolarHBondContact NZ-OE2 3.28Å; K81-E182 IonicContact NZ-OE2 2.68Å; S178-E182 WeakPolarHBondContact O-CG 3.33Å; S178-E182 PolarHBondContact O-N 3.44Å; S178-E182 VanDerWaalsContact O-N 3.13Å; C179-E182 PolarHBondContact O-N 3.43Å; I180-E182 PolarHBondContact O-N 2.92Å |
| 183 | S | 97.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | trans | -132.9 | 37.1 | -171.8 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | Q73 K77 C179 I180 L181 | Q73-S183 PolarHBondContact NE2-O 3.19Å; K77-S183 WeakPolarHBondContact CD-OG 3.2Å; C179-S183 VanDerWaalsContact O-CB 3.29Å; C179-S183 WeakPolarHBondContact O-CB 3.29Å; C179-S183 PolarHBondContact O-N 2.95Å; C179-S183 PolarHBondContact O-OG 3.3Å; I180-S183 CarbonylContact O-C 3.58Å; I180-S183 PolarHBondContact O-N 3.32Å; L181-S183 VanDerWaalsContact C-N 3.31Å | ||
| 184 | L | 97.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | trans | -75.3 | -31.4 | -174.2 | -64.9 | 179.4 | 0 | 0 | 0 | 113.9 | Q70 I180 L181 P186 | Q70-L184 HydrophobicContact CG-CD2 4.48Å; Q70-L184 WeakPolarHBondContact CG-O 3.46Å; Q70-L184 PolarHBondContact NE2-O 2.74Å; I180-L184 WeakPolarHBondContact O-CD2 3.23Å; L181-L184 WeakPolarHBondContact O-CG 3.48Å; L184-P186 VanDerWaalsContact O-CD 3.3Å; L184-P186 WeakPolarHBondContact O-CD 3.43Å | ||
| 185 | E | 98.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 59.8 Ų | 59.8 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -73.3 | 117.7 | 175.8 | -174 | 159.4 | -136.8 | 0 | 0 | 109.3 | K14 Y15 Q73 | K14-E185 IonicContact NZ-OE1 2.8Å; K14-E185 PolarHBondContact NZ-OE1 3.32Å; Y15-E185 HydrophobicContact CD1-CG 4.3Å; Y15-E185 HydrophobicContact CE1-CB 3.97Å; Y15-E185 HydrophobicContact CE1-CG 3.67Å; Q73-E185 PolarHBondContact NE2-O 3Å |
| 186 | P | 98.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 133.1 | 179.8 | 30.5 | -34.2 | 0 | 0 | 0 | 110.4 | Y15 L66 I69 L184 W191 | Y15-P186 HydrophobicContact CD1-CG 4.38Å; Y15-P186 HydrophobicContact CG-CG 4.32Å; L66-P186 HydrophobicContact CD1-CB 4.16Å; L66-P186 HydrophobicContact CD1-CG 3.89Å; I69-P186 HydrophobicContact CG2-CB 3.68Å; L184-P186 VanDerWaalsContact O-CD 3.3Å; L184-P186 WeakPolarHBondContact O-CD 3.43Å; P186-W191 HydrophobicContact CB-CZ2 4.37Å; P186-W191 HydrophobicContact CG-CZ2 4.29Å |
| 187 | L | 97.7 | Very high | 97 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 55% | 0.55 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 146 | 170.8 | -59.3 | 175.9 | 0 | 0 | 0 | 110.3 | T189 S190 | L187-T189 PolarHBondContact O-N 2.91Å; L187-S190 VanDerWaalsContact O-CB 3.26Å; L187-S190 WeakPolarHBondContact O-CB 3.4Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 PolarHBondContact O-OG 3.01Å |
| 188 | E | 97 | Very high | 97 | Very high | 140 Ų | 140 | 65.7 Ų | 65.7 | 65% | 0.654 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -55.7 | -42 | 177.6 | -171.2 | 59.4 | -137.6 | 0 | 0 | 111.6 | K17 S190 W191 | K17-E188 IonicContact NZ-OE1 2.82Å; K17-E188 PolarHBondContact NZ-OE1 3.47Å; K17-E188 IonicContact NZ-OE2 3.31Å; K17-E188 PolarHBondContact NZ-OE2 2.79Å; E188-S190 PolarHBondContact O-N 3.41Å; E188-W191 PolarHBondContact O-N 2.65Å |
| 189 | T | 97.1 | Very high | 97 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -65.5 | -23.6 | 179.8 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | N110 L187 W191 N192 | N110-T189 PolarHBondContact ND2-O 2.94Å; L187-T189 PolarHBondContact O-N 2.91Å; T189-W191 PolarHBondContact O-N 2.96Å; T189-N192 PolarHBondContact O-N 3.23Å |
| 190 | S | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -63.8 | -26 | 179.6 | -62 | 0 | 0 | 0 | 0 | 112.9 | Q73 N110 L187 E188 | Q73-S190 PolarHBondContact OE1-OG 3.24Å; N110-S190 PolarHBondContact ND2-O 2.92Å; L187-S190 VanDerWaalsContact O-CB 3.26Å; L187-S190 WeakPolarHBondContact O-CB 3.4Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 PolarHBondContact O-OG 3.01Å; E188-S190 PolarHBondContact O-N 3.41Å |
| 191 | W | 97.3 | Very high | 97 | Very high | 48 Ų | 48 | 73 Ų | 73 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -83.5 | -22.1 | -176.8 | -67.7 | 96.5 | 0 | 0 | 0 | 114.3 | Y15 K17 D65 L66 I69 P186 E188 T189 | Y15-W191 WeakPolarHBondContact O-CZ2 3.44Å; K17-W191 HydrophobicContact CB-CD2 3.88Å; K17-W191 HydrophobicContact CB-CE3 3.83Å; K17-W191 HydrophobicContact CB-CH2 4.02Å; K17-W191 HydrophobicContact CB-CZ2 4.07Å; K17-W191 HydrophobicContact CB-CZ3 3.89Å; K17-W191 HydrophobicContact CD-CD2 3.91Å; K17-W191 HydrophobicContact CD-CG 3.86Å; K17-W191 HydrophobicContact CG-CD2 4.1Å; K17-W191 HydrophobicContact CG-CZ2 4.07Å; K17-W191 VanDerWaalsContact N-CH2 3.27Å; D65-W191 HydrophobicContact CB-CH2 4.37Å; D65-W191 HydrophobicContact CB-CZ3 3.89Å; L66-W191 HydrophobicContact CB-CH2 4.22Å; L66-W191 HydrophobicContact CD1-CZ2 4.11Å; I69-W191 HydrophobicContact CD1-CD2 3.62Å; I69-W191 HydrophobicContact CD1-CE3 3.75Å; I69-W191 HydrophobicContact CD1-CG 4.24Å; I69-W191 HydrophobicContact CD1-CH2 3.85Å; I69-W191 HydrophobicContact CD1-CZ2 3.7Å; I69-W191 HydrophobicContact CD1-CZ3 3.88Å; P186-W191 HydrophobicContact CB-CZ2 4.37Å; P186-W191 HydrophobicContact CG-CZ2 4.29Å; E188-W191 PolarHBondContact O-N 2.65Å; T189-W191 PolarHBondContact O-N 2.96Å |
| 192 | N | 96.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | trans | -95.9 | 105.4 | -177.9 | -176.2 | -11.5 | 0 | 0 | 0 | 110.4 | N110 T189 D194 | N110-N192 PolarHBondContact ND2-O 2.77Å; N110-N192 PolarHBondContact OD1-O 2.84Å; T189-N192 PolarHBondContact O-N 3.23Å; N192-D194 PolarHBondContact OD1-N 3.06Å | ||
| 193 | I | 97 | Very high | 97.1 | Very high | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | trans | -105.8 | 2 | -178.4 | 63.7 | 170 | 0 | 0 | 0 | 113.8 | K103 F106 I107 N110 N195 V196 | K103-I193 HydrophobicContact CG-CD1 4.06Å; F106-I193 HydrophobicContact CB-CB 4.3Å; F106-I193 HydrophobicContact CB-CD1 3.89Å; I107-I193 HydrophobicContact CB-CG2 4.43Å; I107-I193 HydrophobicContact CG1-CG2 3.77Å; N110-I193 HydrophobicContact CB-CG2 3.99Å; I193-N195 VanDerWaalsContact C-N 3.25Å; I193-N195 PolarHBondContact O-N 3.36Å; I193-V196 HydrophobicContact CB-CG2 4.2Å; I193-V196 VanDerWaalsContact O-CG2 3.29Å; I193-V196 WeakPolarHBondContact O-CG2 3.45Å; I193-V196 PolarHBondContact O-N 2.9Å | ||
| 194 | D | 95 | Very high | 97.1 | Very high | 138 Ų | 138 | 69 Ų | 69 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.7 | -167.4 | -65.8 | -19.2 | 0 | 0 | 0 | 113.1 | N192 | N192-D194 PolarHBondContact OD1-N 3.06Š|
| 195 | N | 93.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 8.5 | -174.1 | -64.5 | -53.6 | 0 | 0 | 0 | 114.2 | I193 E197 A198 N199 | I193-N195 VanDerWaalsContact C-N 3.25Å; I193-N195 PolarHBondContact O-N 3.36Å; N195-E197 PolarHBondContact O-N 3.44Å; N195-A198 PolarHBondContact O-N 3.08Å; N195-N199 PolarHBondContact O-N 3.38Å |
| 196 | V | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -51.4 | -174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | A109 N110 L121 I193 A198 N199 C202 | A109-V196 HydrophobicContact CB-CG1 3.65Å; N110-V196 HydrophobicContact CB-CG2 3.46Å; N110-V196 VanDerWaalsContact CB-CG2 3.46Å; L121-V196 HydrophobicContact CD2-CG1 3.87Å; I193-V196 HydrophobicContact CB-CG2 4.2Å; I193-V196 VanDerWaalsContact O-CG2 3.29Å; I193-V196 WeakPolarHBondContact O-CG2 3.45Å; I193-V196 PolarHBondContact O-N 2.9Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 3.29Å; V196-N199 VanDerWaalsContact O-CB 3.32Å; V196-N199 WeakPolarHBondContact O-CB 3.49Å; V196-N199 PolarHBondContact O-N 3.06Å; V196-C202 WeakPolarHBondContact O-CB 3.35Å |
| 197 | E | 95.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.6 | -176.3 | -66.9 | -171.1 | 98.9 | 0 | 0 | 113.5 | F106 L121 N195 N199 | F106-E197 HydrophobicContact CE1-CG 3.62Å; F106-E197 WeakPolarHBondContact CE1-OE2 3.18Å; F106-E197 HydrophobicContact CZ-CG 3.81Å; L121-E197 HydrophobicContact CD2-CG 4.49Å; N195-E197 PolarHBondContact O-N 3.44Å; E197-N199 VanDerWaalsContact C-N 3.29Å |
| 198 | A | 96.3 | Very high | 97 | Very high | 85 Ų | 85 | 67.3 Ų | 67.3 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N195 V196 | N195-A198 PolarHBondContact O-N 3.08Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 3.29Å |
| 199 | N | 97.5 | Very high | 97 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -71.2 | 132.2 | -179 | -166.6 | -65.2 | 0 | 0 | 0 | 111 | V113 N195 V196 E197 L201 C202 | V113-N199 HydrophobicContact CG1-CB 3.8Å; V113-N199 WeakPolarHBondContact CG1-ND2 3.33Å; N195-N199 PolarHBondContact O-N 3.38Å; V196-N199 VanDerWaalsContact O-CB 3.32Å; V196-N199 WeakPolarHBondContact O-CB 3.49Å; V196-N199 PolarHBondContact O-N 3.06Å; E197-N199 VanDerWaalsContact C-N 3.29Å; N199-L201 PolarHBondContact O-N 2.97Å; N199-L201 WeakPolarHBondContact OD1-CB 3.32Å; N199-L201 PolarHBondContact OD1-N 3.07Å; N199-C202 HydrophobicContact CB-CB 4.41Å; N199-C202 WeakPolarHBondContact O-CB 3.41Å; N199-C202 PolarHBondContact O-N 2.92Å |
| 200 | P | 97.9 | Very high | 97.1 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.1 | 178.5 | -26.5 | 34.9 | 0 | 0 | 0 | 115.6 | ||
| 201 | L | 98.2 | Very high | 97.1 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.5 | 174.8 | -65 | 176.7 | 0 | 0 | 0 | 113.1 | V113 V119 N199 | V113-L201 HydrophobicContact CG2-CB 4.41Å; V119-L201 PolarHBondContact N-O 2.86Å; N199-L201 PolarHBondContact O-N 2.97Å; N199-L201 WeakPolarHBondContact OD1-CB 3.32Å; N199-L201 PolarHBondContact OD1-N 3.07Å |
| 202 | C | 98.5 | Very high | 97.2 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.8 | 177.2 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | V113 V119 V196 N199 | V113-C202 HydrophobicContact CG2-CB 4.49Å; V119-C202 CarbonylContact O-C 3.5Å; V119-C202 WeakPolarHBondContact O-CA 3.43Å; V196-C202 WeakPolarHBondContact O-CB 3.35Å; N199-C202 HydrophobicContact CB-CB 4.41Å; N199-C202 WeakPolarHBondContact O-CB 3.41Å; N199-C202 PolarHBondContact O-N 2.92Å |
| 203 | L | 98.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.8 | -174.8 | -58.1 | 177 | 0 | 0 | 0 | 110.7 | K118 V119 Y120 L121 P205 | K118-L203 HydrophobicContact CD-CD1 4.17Å; K118-L203 HydrophobicContact CG-CD1 4.01Å; V119-L203 PolarHBondContact O-N 3.2Å; Y120-L203 CarbonylContact C-O 3.56Å; Y120-L203 WeakPolarHBondContact CA-O 3.49Å; Y120-L203 HydrophobicContact CD1-CB 3.94Å; Y120-L203 HydrophobicContact CD1-CD1 4.34Å; Y120-L203 HydrophobicContact CE1-CB 4.21Å; Y120-L203 HydrophobicContact CE1-CD1 3.86Å; L121-L203 PolarHBondContact N-O 3.48Å; L203-P205 VanDerWaalsContact O-CD 3.31Å; L203-P205 WeakPolarHBondContact O-CD 3.2Å |
| 204 | D | 97.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | trans | -86.4 | 111.9 | 171.2 | -176.7 | -1.3 | 0 | 0 | 0 | 110.3 | K123 M206 P207 | K123-D204 HydrophobicContact CD-CB 4.06Å; K123-D204 HydrophobicContact CG-CB 4.37Å; D204-M206 WeakPolarHBondContact OD1-CB 3.4Å; D204-M206 PolarHBondContact OD1-N 3.42Å; D204-P207 WeakPolarHBondContact OD1-CD 3.37Å | ||
| 205 | P | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | trans | -76.3 | -24.1 | 177.8 | 30.2 | -31.8 | 0 | 0 | 0 | 112.9 | I92 Y120 L121 F122 F138 L203 K208 L209 | I92-P205 HydrophobicContact CD1-CB 4.27Å; I92-P205 HydrophobicContact CD1-CG 4.31Å; Y120-P205 HydrophobicContact CD1-CB 4.03Å; Y120-P205 HydrophobicContact CG-CB 4.45Å; L121-P205 WeakPolarHBondContact O-CD 3.29Å; F122-P205 HydrophobicContact CD1-CG 3.59Å; F122-P205 HydrophobicContact CE1-CG 3.8Å; F138-P205 HydrophobicContact CD2-CB 4.35Å; F138-P205 HydrophobicContact CE2-CB 3.52Å; F138-P205 HydrophobicContact CZ-CB 3.81Å; L203-P205 VanDerWaalsContact O-CD 3.31Å; L203-P205 WeakPolarHBondContact O-CD 3.2Å; P205-K208 PolarHBondContact O-N 3.29Å; P205-L209 HydrophobicContact CB-CB 4.47Å; P205-L209 HydrophobicContact CB-CD1 4.13Å; P205-L209 WeakPolarHBondContact O-CB 3.5Å; P205-L209 PolarHBondContact O-N 3.06Å | ||
| 206 | M | 97.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | -154.7 | -167.7 | 54 | 57.4 | 0 | 0 | 114.7 | F122 F126 D204 K208 L209 L210 | F122-M206 HydrophobicContact CD1-CE 3.85Å; F122-M206 HydrophobicContact CD2-CE 4.1Å; F122-M206 HydrophobicContact CE1-CE 3.73Å; F122-M206 HydrophobicContact CE2-CE 4Å; F122-M206 HydrophobicContact CG-CE 4.04Å; F122-M206 HydrophobicContact CZ-CE 3.82Å; F126-M206 HydrophobicContact CB-CE 3.7Å; F126-M206 HydrophobicContact CD1-CE 3.79Å; F126-M206 HydrophobicContact CD1-CG 4.39Å; F126-M206 HydrophobicContact CD1-SD 3.58Å; F126-M206 VanDerWaalsContact CD1-SD 3.58Å; F126-M206 HydrophobicContact CD2-CE 3.43Å; F126-M206 VanDerWaalsContact CD2-CE 3.43Å; F126-M206 HydrophobicContact CD2-CG 4.05Å; F126-M206 HydrophobicContact CD2-SD 3.96Å; F126-M206 HydrophobicContact CE1-CE 4.28Å; F126-M206 HydrophobicContact CE1-CG 3.91Å; F126-M206 HydrophobicContact CE1-SD 3.57Å; F126-M206 VanDerWaalsContact CE1-SD 3.57Å; F126-M206 HydrophobicContact CE2-CE 3.96Å; F126-M206 HydrophobicContact CE2-CG 3.54Å; F126-M206 HydrophobicContact CE2-SD 3.96Å; F126-M206 HydrophobicContact CG-CE 3.34Å; F126-M206 HydrophobicContact CG-CG 4.45Å; F126-M206 HydrophobicContact CG-SD 3.78Å; F126-M206 HydrophobicContact CZ-CE 4.36Å; F126-M206 HydrophobicContact CZ-CG 3.46Å; F126-M206 VanDerWaalsContact CZ-CG 3.46Å; F126-M206 HydrophobicContact CZ-SD 3.78Å; D204-M206 WeakPolarHBondContact OD1-CB 3.4Å; D204-M206 PolarHBondContact OD1-N 3.42Å; M206-K208 VanDerWaalsContact C-N 3.26Å; M206-K208 PolarHBondContact O-N 3.2Å; M206-L209 PolarHBondContact O-N 2.89Å; M206-L209 VanDerWaalsContact O-N 3.16Å; M206-L209 HydrophobicContact SD-CD2 4.46Å; M206-L210 PolarHBondContact O-N 2.94Å; M206-L210 HydrophobicContact SD-CB 4Å |
| 207 | P | 94.5 | Very high | 97.9 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 59% | 0.591 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.1 | -37.8 | 179.9 | -27 | 35.6 | 0 | 0 | 0 | 113.6 | D204 K211 | D204-P207 WeakPolarHBondContact OD1-CD 3.37Å; P207-K211 WeakPolarHBondContact O-CB 3.3Å |
| 208 | K | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 54.3 Ų | 54.3 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -82.7 | -39.4 | 176.7 | -178 | 173.8 | 173.8 | -173.7 | 0 | 111.6 | F138 P205 M206 T212 | F138-K208 HydrophobicContact CE1-CD 3.96Å; F138-K208 HydrophobicContact CE1-CG 4.48Å; F138-K208 HydrophobicContact CZ-CB 4.31Å; F138-K208 HydrophobicContact CZ-CD 4.41Å; F138-K208 HydrophobicContact CZ-CG 4.44Å; P205-K208 PolarHBondContact O-N 3.29Å; M206-K208 VanDerWaalsContact C-N 3.26Å; M206-K208 PolarHBondContact O-N 3.2Å; K208-T212 WeakPolarHBondContact O-CB 3.4Å; K208-T212 PolarHBondContact O-N 2.79Å; K208-T212 PolarHBondContact O-OG1 2.8Å |
| 209 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -59.2 | -176.2 | -168.4 | 163.5 | 0 | 0 | 0 | 110.9 | I92 F122 M130 F133 L137 F138 P205 M206 K211 T212 Y213 | I92-L209 HydrophobicContact CD1-CD1 3.86Å; F122-L209 HydrophobicContact CE1-CD1 4Å; F122-L209 HydrophobicContact CZ-CD1 4.32Å; M130-L209 HydrophobicContact CB-CD2 3.76Å; M130-L209 HydrophobicContact CG-CD2 4.05Å; M130-L209 WeakPolarHBondContact O-CD1 3.5Å; M130-L209 HydrophobicContact SD-CD2 3.4Å; M130-L209 WeakPolarHBondContact SD-CD2 3.48Å; F133-L209 HydrophobicContact CD1-CD2 4Å; F133-L209 HydrophobicContact CD1-CG 4.22Å; L137-L209 HydrophobicContact CD2-CB 4.45Å; F138-L209 HydrophobicContact CE2-CB 4.11Å; F138-L209 HydrophobicContact CE2-CD1 4.12Å; F138-L209 HydrophobicContact CE2-CG 4.35Å; F138-L209 HydrophobicContact CZ-CB 4.42Å; P205-L209 HydrophobicContact CB-CB 4.47Å; P205-L209 HydrophobicContact CB-CD1 4.13Å; P205-L209 WeakPolarHBondContact O-CB 3.5Å; P205-L209 PolarHBondContact O-N 3.06Å; M206-L209 PolarHBondContact O-N 2.89Å; M206-L209 VanDerWaalsContact O-N 3.16Å; M206-L209 HydrophobicContact SD-CD2 4.46Å; L209-K211 PolarHBondContact O-N 2.92Å; L209-T212 PolarHBondContact O-N 2.98Å; L209-Y213 VanDerWaalsContact O-CB 3.31Å; L209-Y213 WeakPolarHBondContact O-CB 2.97Å; L209-Y213 PolarHBondContact O-N 2.82Å |
| 210 | L | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | -176.5 | -179.5 | 60.9 | 0 | 0 | 0 | 111.8 | F126 M206 T212 Y213 C214 A247 T250 | F126-L210 HydrophobicContact CE1-CD2 4.31Å; M206-L210 PolarHBondContact O-N 2.94Å; M206-L210 HydrophobicContact SD-CB 4Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 3.43Å; L210-Y213 HydrophobicContact CD1-CD1 4.39Å; L210-Y213 PolarHBondContact O-N 3.49Å; L210-C214 PolarHBondContact O-N 3.46Å; L210-C214 PolarHBondContact O-SG 2.67Å; L210-C214 VanDerWaalsContact O-SG 3.38Å; L210-A247 HydrophobicContact CD1-CB 4.32Å; L210-T250 HydrophobicContact CD2-CG2 4.33Å; L210-T250 HydrophobicContact CG-CG2 4.4Å |
| 211 | K | 98.3 | Very high | 98.1 | Very high | 165 Ų | 165 | 51 Ų | 51 | 72% | 0.717 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 176.7 | -177.8 | 177.3 | 179.7 | 176.6 | 0 | 111.9 | P207 L209 R215 | P207-K211 WeakPolarHBondContact O-CB 3.3Å; L209-K211 PolarHBondContact O-N 2.92Å; K211-R215 WeakPolarHBondContact O-CB 3.27Å; K211-R215 PolarHBondContact O-N 3.13Å; K211-R215 VanDerWaalsContact O-N 3.15Å |
| 212 | T | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.3 | -39 | -178.6 | -55 | 0 | 0 | 0 | 0 | 111.6 | F133 L137 K208 L209 L210 R215 L216 | F133-T212 HydrophobicContact CZ-CG2 4.17Å; L137-T212 HydrophobicContact CD1-CG2 3.74Å; L137-T212 HydrophobicContact CD2-CG2 4.28Å; K208-T212 WeakPolarHBondContact O-CB 3.4Å; K208-T212 PolarHBondContact O-N 2.79Å; K208-T212 PolarHBondContact O-OG1 2.8Å; L209-T212 PolarHBondContact O-N 2.98Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 3.43Å; T212-R215 PolarHBondContact O-N 3.46Å; T212-L216 HydrophobicContact CG2-CD1 4.17Å; T212-L216 HydrophobicContact CG2-CG 4.4Å; T212-L216 WeakPolarHBondContact O-CG 3.38Å; T212-L216 PolarHBondContact O-N 3.44Å |
| 213 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.5 | -57.2 | 173.2 | 170.4 | -98.8 | 0 | 0 | 0 | 110.6 | M130 F133 L209 L210 R215 L216 Q217 L251 V418 V419 D423 V425 G426 | M130-Y213 HydrophobicContact CE-CD1 3.64Å; M130-Y213 HydrophobicContact CE-CD2 4.09Å; M130-Y213 HydrophobicContact CE-CE1 3.55Å; M130-Y213 HydrophobicContact CE-CE2 4Å; M130-Y213 HydrophobicContact CE-CG 3.92Å; M130-Y213 HydrophobicContact SD-CD1 4.26Å; M130-Y213 HydrophobicContact SD-CD2 4.36Å; M130-Y213 HydrophobicContact SD-CG 4.09Å; F133-Y213 HydrophobicContact CD1-CD2 4.06Å; F133-Y213 HydrophobicContact CD1-CG 4.38Å; F133-Y213 HydrophobicContact CE1-CD2 4.44Å; F133-Y213 HydrophobicContact CG-CD2 4.26Å; L209-Y213 VanDerWaalsContact O-CB 3.31Å; L209-Y213 WeakPolarHBondContact O-CB 2.97Å; L209-Y213 PolarHBondContact O-N 2.82Å; L210-Y213 HydrophobicContact CD1-CD1 4.39Å; L210-Y213 PolarHBondContact O-N 3.49Å; Y213-R215 VanDerWaalsContact C-N 3.32Å; Y213-R215 PolarHBondContact O-N 3.12Å; Y213-L216 PolarHBondContact O-N 2.88Å; Y213-L216 VanDerWaalsContact O-N 3.15Å; Y213-Q217 HydrophobicContact CD1-CG 4.37Å; Y213-Q217 HydrophobicContact CD2-CG 4.06Å; Y213-Q217 HydrophobicContact CE1-CG 3.97Å; Y213-Q217 HydrophobicContact CE2-CG 3.62Å; Y213-Q217 VanDerWaalsContact CE2-NE2 3.29Å; Y213-Q217 HydrophobicContact CG-CG 4.4Å; Y213-Q217 WeakPolarHBondContact O-CG 3.21Å; Y213-Q217 PolarHBondContact O-N 3.43Å; Y213-Q217 PolarHBondContact OH-NE2 2.97Å; Y213-Q217 VanDerWaalsContact OH-NE2 3.16Å; Y213-L251 HydrophobicContact CE1-CD1 4.39Å; Y213-L251 HydrophobicContact CE1-CD2 3.97Å; Y213-V418 HydrophobicContact CD2-CG1 4.02Å; Y213-V418 HydrophobicContact CE2-CG1 4.3Å; Y213-V419 HydrophobicContact CD2-CG2 4.33Å; Y213-V419 HydrophobicContact CE2-CG2 3.86Å; Y213-D423 WeakPolarHBondContact CE2-OD2 3.47Å; Y213-D423 PolarHBondContact OH-OD1 3.3Å; Y213-D423 PolarHBondContact OH-OD2 2.9Å; Y213-V425 HydrophobicContact CE1-CG1 4.16Å; Y213-G426 WeakPolarHBondContact OH-CA 3.39Å; Y213-G426 PolarHBondContact OH-N 3.36Å |
| 214 | C | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | -178.6 | -66 | 0 | 0 | 0 | 0 | 112.7 | L210 K218 L251 C254 | L210-C214 PolarHBondContact O-N 3.46Å; L210-C214 PolarHBondContact O-SG 2.67Å; L210-C214 VanDerWaalsContact O-SG 3.38Å; C214-K218 VanDerWaalsContact O-CB 3.28Å; C214-K218 WeakPolarHBondContact O-CB 3.39Å; C214-K218 PolarHBondContact O-N 2.83Å; C214-L251 HydrophobicContact CB-CD1 4.17Å; C214-C254 HydrophobicContact CB-CB 4.27Å |
| 215 | R | 98.5 | Very high | 97.9 | Very high | 143 Ų | 143 | 49 Ų | 49 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.3 | -176.6 | -172.6 | 60.9 | 72.1 | 0.4 | 111.8 | K211 T212 Y213 S219 | K211-R215 WeakPolarHBondContact O-CB 3.27Å; K211-R215 PolarHBondContact O-N 3.13Å; K211-R215 VanDerWaalsContact O-N 3.15Å; T212-R215 PolarHBondContact O-N 3.46Å; Y213-R215 VanDerWaalsContact C-N 3.32Å; Y213-R215 PolarHBondContact O-N 3.12Å; R215-S219 WeakPolarHBondContact O-CB 3.07Å; R215-S219 PolarHBondContact O-N 2.96Å; R215-S219 PolarHBondContact O-OG 3.05Å |
| 216 | L | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.9 | -45.7 | -179.4 | -72.6 | 179.1 | 0 | 0 | 0 | 111.5 | F133 T212 Y213 K218 S219 R220 V418 | F133-L216 HydrophobicContact CE2-CD1 3.93Å; F133-L216 HydrophobicContact CZ-CD1 3.84Å; T212-L216 HydrophobicContact CG2-CD1 4.17Å; T212-L216 HydrophobicContact CG2-CG 4.4Å; T212-L216 WeakPolarHBondContact O-CG 3.38Å; T212-L216 PolarHBondContact O-N 3.44Å; Y213-L216 PolarHBondContact O-N 2.88Å; Y213-L216 VanDerWaalsContact O-N 3.15Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-K218 PolarHBondContact O-N 2.95Å; L216-S219 WeakPolarHBondContact CA-OG 3.3Å; L216-S219 PolarHBondContact O-N 3.04Å; L216-S219 PolarHBondContact O-OG 3.17Å; L216-R220 WeakPolarHBondContact O-CB 3.37Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.87Å; L216-R220 VanDerWaalsContact O-N 3.08Å; L216-V418 HydrophobicContact CB-CG1 4.31Å; L216-V418 HydrophobicContact CB-CG2 3.99Å |
| 217 | Q | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 175.7 | -69.3 | -64.9 | 30 | 0 | 0 | 111.1 | Y213 S219 R220 L221 L251 F255 V418 D423 | Y213-Q217 HydrophobicContact CD1-CG 4.37Å; Y213-Q217 HydrophobicContact CD2-CG 4.06Å; Y213-Q217 HydrophobicContact CE1-CG 3.97Å; Y213-Q217 HydrophobicContact CE2-CG 3.62Å; Y213-Q217 VanDerWaalsContact CE2-NE2 3.29Å; Y213-Q217 HydrophobicContact CG-CG 4.4Å; Y213-Q217 WeakPolarHBondContact O-CG 3.21Å; Y213-Q217 PolarHBondContact O-N 3.43Å; Y213-Q217 PolarHBondContact OH-NE2 2.97Å; Y213-Q217 VanDerWaalsContact OH-NE2 3.16Å; Q217-S219 PolarHBondContact O-N 2.93Å; Q217-R220 PolarHBondContact O-N 2.8Å; Q217-L221 WeakPolarHBondContact O-CB 3.37Å; Q217-L221 PolarHBondContact O-N 3.11Å; Q217-L251 HydrophobicContact CB-CD1 3.63Å; Q217-L251 HydrophobicContact CG-CD1 4.17Å; Q217-L251 HydrophobicContact CG-CD2 4.42Å; Q217-F255 HydrophobicContact CB-CE2 4.15Å; Q217-F255 HydrophobicContact CB-CZ 4.45Å; Q217-V418 HydrophobicContact CG-CG1 4.29Å; Q217-V418 HydrophobicContact CG-CG2 4.48Å; Q217-D423 PolarHBondContact NE2-OD2 2.86Å |
| 218 | K | 98.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.2 | -51.5 | 176.1 | -177.3 | -175.4 | -175.7 | 155.1 | 0 | 111.4 | C214 L216 R220 C222 E225 C254 F255 | C214-K218 VanDerWaalsContact O-CB 3.28Å; C214-K218 WeakPolarHBondContact O-CB 3.39Å; C214-K218 PolarHBondContact O-N 2.83Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-K218 PolarHBondContact O-N 2.95Å; K218-R220 PolarHBondContact O-N 3.09Å; K218-R220 VanDerWaalsContact O-N 3.17Å; K218-C222 HydrophobicContact CG-CB 4.06Å; K218-C222 VanDerWaalsContact O-CB 3.27Å; K218-C222 WeakPolarHBondContact O-CB 3.21Å; K218-C222 PolarHBondContact O-N 2.84Å; K218-C222 VanDerWaalsContact O-N 3.16Å; K218-E225 VanDerWaalsContact CE-CD 3.46Å; K218-E225 WeakPolarHBondContact CE-OE1 3.49Å; K218-E225 WeakPolarHBondContact CE-OE2 3.28Å; K218-E225 IonicContact NZ-OE1 2.63Å; K218-E225 PolarHBondContact NZ-OE1 3.23Å; K218-E225 IonicContact NZ-OE2 3.28Å; K218-E225 PolarHBondContact NZ-OE2 3.31Å; K218-C254 WeakPolarHBondContact CD-O 3.24Å; K218-C254 VanDerWaalsContact CE-O 3.27Å; K218-C254 WeakPolarHBondContact CE-O 3.39Å; K218-C254 PolarHBondContact NZ-O 2.78Å; K218-C254 VanDerWaalsContact NZ-O 3.1Å; K218-F255 HydrophobicContact CB-CD2 4.31Å; K218-F255 HydrophobicContact CB-CE2 4.14Å |
| 219 | S | 98 | Very high | 97.9 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 56% | 0.559 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.4 | -21.1 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | R215 L216 Q217 | R215-S219 WeakPolarHBondContact O-CB 3.07Å; R215-S219 PolarHBondContact O-N 2.96Å; R215-S219 PolarHBondContact O-OG 3.05Å; L216-S219 WeakPolarHBondContact CA-OG 3.3Å; L216-S219 PolarHBondContact O-N 3.04Å; L216-S219 PolarHBondContact O-OG 3.17Å; Q217-S219 PolarHBondContact O-N 2.93Å |
| 220 | R | 96.8 | Very high | 97.8 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -109.8 | -24.3 | -172.7 | -65.1 | -179 | -176.4 | -180 | -0.1 | 113.8 | L216 Q217 K218 D417 | L216-R220 WeakPolarHBondContact O-CB 3.37Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.87Å; L216-R220 VanDerWaalsContact O-N 3.08Å; Q217-R220 PolarHBondContact O-N 2.8Å; K218-R220 PolarHBondContact O-N 3.09Å; K218-R220 VanDerWaalsContact O-N 3.17Å; R220-D417 WeakPolarHBondContact CD-OD1 3.37Å; R220-D417 IonicContact CZ-OD1 3.31Å; R220-D417 IonicContact NE-OD1 3.05Å; R220-D417 PolarHBondContact NH1-O 3.06Å; R220-D417 IonicContact NH1-OD1 2.65Å; R220-D417 PolarHBondContact NH1-OD1 3.26Å; R220-D417 IonicContact NH1-OD2 2.8Å |
| 221 | L | 97.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -133 | -9.9 | -168.5 | -59.5 | 176.2 | 0 | 0 | 0 | 115 | Q217 F223 F255 L340 C415 V430 | Q217-L221 WeakPolarHBondContact O-CB 3.37Å; Q217-L221 PolarHBondContact O-N 3.11Å; L221-F223 VanDerWaalsContact O-CD2 3.27Å; L221-F223 WeakPolarHBondContact O-CD2 3.31Å; L221-F223 VanDerWaalsContact O-CE2 3.32Å; L221-F223 WeakPolarHBondContact O-CE2 3.24Å; L221-F223 PolarHBondContact O-N 2.99Å; L221-F255 HydrophobicContact CB-CE1 4.5Å; L221-F255 HydrophobicContact CB-CZ 4.08Å; L221-L340 HydrophobicContact CD2-CD2 4.16Å; L221-C415 HydrophobicContact CD1-CB 4.01Å; L221-C415 VanDerWaalsContact CD1-O 3.28Å; L221-C415 WeakPolarHBondContact CD1-O 3.33Å; L221-V430 HydrophobicContact CB-CG2 3.95Å; L221-V430 HydrophobicContact CD1-CG2 3.92Å; L221-V430 HydrophobicContact CG-CG2 4.42Å |
| 222 | C | 98.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | trans | -90.2 | 101.4 | 174 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | K218 F255 | K218-C222 HydrophobicContact CG-CB 4.06Å; K218-C222 VanDerWaalsContact O-CB 3.27Å; K218-C222 WeakPolarHBondContact O-CB 3.21Å; K218-C222 PolarHBondContact O-N 2.84Å; K218-C222 VanDerWaalsContact O-N 3.16Å; C222-F255 HydrophobicContact CB-CD1 3.81Å; C222-F255 HydrophobicContact CB-CD2 4.06Å; C222-F255 HydrophobicContact CB-CE1 3.81Å; C222-F255 HydrophobicContact CB-CE2 4.06Å; C222-F255 HydrophobicContact CB-CG 3.94Å; C222-F255 HydrophobicContact CB-CZ 3.94Å | ||
| 223 | F | 97.5 | Very high | 97.2 | Very high | 43 Ų | 43 | 57 Ų | 57 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | trans | -95.2 | -22 | -175.5 | -56 | -70.7 | 0 | 0 | 0 | 112.6 | L221 L340 Q343 H347 E433 | L221-F223 VanDerWaalsContact O-CD2 3.27Å; L221-F223 WeakPolarHBondContact O-CD2 3.31Å; L221-F223 VanDerWaalsContact O-CE2 3.32Å; L221-F223 WeakPolarHBondContact O-CE2 3.24Å; L221-F223 PolarHBondContact O-N 2.99Å; F223-L340 HydrophobicContact CE2-CD2 4.31Å; F223-Q343 HydrophobicContact CB-CB 4.46Å; F223-Q343 HydrophobicContact CB-CG 4.13Å; F223-Q343 HydrophobicContact CD1-CB 3.96Å; F223-Q343 HydrophobicContact CD2-CB 3.51Å; F223-Q343 HydrophobicContact CD2-CG 3.5Å; F223-Q343 HydrophobicContact CE1-CB 4.03Å; F223-Q343 HydrophobicContact CE2-CB 3.58Å; F223-Q343 HydrophobicContact CE2-CG 4Å; F223-Q343 HydrophobicContact CG-CB 3.7Å; F223-Q343 HydrophobicContact CG-CG 3.8Å; F223-Q343 HydrophobicContact CZ-CB 3.84Å; F223-H347 AromaticContact CD1-CE1 3.64Å; F223-H347 AromaticContact CD1-ND1 3.64Å; F223-E433 WeakPolarHBondContact CB-OE1 3.48Å; F223-E433 WeakPolarHBondContact CD2-OE1 3.47Å; F223-E433 PolarHBondContact N-OE1 2.83Å; F223-E433 PolarHBondContact N-OE2 2.82Å; F223-E433 VanDerWaalsContact N-OE2 3.1Å | ||
| 224 | T | 95.5 | Very high | 97 | Very high | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | trans | -132.1 | 44.2 | -171.5 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | S226 E227 N228 E433 | T224-S226 VanDerWaalsContact C-N 3.33Å; T224-S226 PolarHBondContact O-N 2.94Å; T224-E227 CarbonylContact O-C 3.52Å; T224-E227 WeakPolarHBondContact O-CA 3.29Å; T224-E227 VanDerWaalsContact O-CB 3.28Å; T224-E227 WeakPolarHBondContact O-CB 3.45Å; T224-E227 PolarHBondContact O-N 3.45Å; T224-N228 PolarHBondContact O-N 3.15Å; T224-N228 PolarHBondContact O-OD1 2.83Å; T224-N228 PolarHBondContact OG1-OD1 2.87Å; T224-E433 PolarHBondContact N-OE2 3.03Å; T224-E433 VanDerWaalsContact OG1-CG 3.23Å; T224-E433 WeakPolarHBondContact OG1-CG 3.27Å; T224-E433 PolarHBondContact OG1-OE2 2.67Å | ||
| 225 | E | 97 | Very high | 97 | Very high | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -50.4 | -46.6 | -178 | -178.4 | 174.1 | -173.5 | 0 | 0 | 113.9 | K218 E227 N228 I229 | K218-E225 VanDerWaalsContact CE-CD 3.46Å; K218-E225 WeakPolarHBondContact CE-OE1 3.49Å; K218-E225 WeakPolarHBondContact CE-OE2 3.28Å; K218-E225 IonicContact NZ-OE1 2.63Å; K218-E225 PolarHBondContact NZ-OE1 3.23Å; K218-E225 IonicContact NZ-OE2 3.28Å; K218-E225 PolarHBondContact NZ-OE2 3.31Å; E225-E227 PolarHBondContact O-N 3.34Å; E225-E227 VanDerWaalsContact O-N 3.09Å; E225-N228 PolarHBondContact O-N 3.37Å; E225-N228 VanDerWaalsContact O-N 3.12Å; E225-I229 HydrophobicContact CG-CD1 4.28Å; E225-I229 WeakPolarHBondContact O-CG1 3.49Å; E225-I229 PolarHBondContact O-N 3.18Å; E225-I229 VanDerWaalsContact O-N 3.13Å |
| 226 | S | 97.2 | Very high | 97 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -24.9 | -179.7 | 59 | 0 | 0 | 0 | 0 | 113.5 | T224 K230 | T224-S226 VanDerWaalsContact C-N 3.33Å; T224-S226 PolarHBondContact O-N 2.94Å; S226-K230 VanDerWaalsContact O-CE 3.27Å; S226-K230 WeakPolarHBondContact O-CE 3.21Å |
| 227 | E | 96.6 | Very high | 97 | Very high | 49 Ų | 49 | 51 Ų | 51 | 23% | 0.229 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -93.1 | -34 | 179.8 | -78 | -44.1 | 116.4 | 0 | 0 | 111.9 | T224 E225 I229 K230 C231 R440 | T224-E227 CarbonylContact O-C 3.52Å; T224-E227 WeakPolarHBondContact O-CA 3.29Å; T224-E227 VanDerWaalsContact O-CB 3.28Å; T224-E227 WeakPolarHBondContact O-CB 3.45Å; T224-E227 PolarHBondContact O-N 3.45Å; E225-E227 PolarHBondContact O-N 3.34Å; E225-E227 VanDerWaalsContact O-N 3.09Å; E227-I229 VanDerWaalsContact C-N 3.28Å; E227-I229 PolarHBondContact O-N 3.41Å; E227-K230 PolarHBondContact O-N 2.72Å; E227-K230 VanDerWaalsContact O-N 3.11Å; E227-K230 IonicContact OE1-NZ 3.87Å; E227-K230 PolarHBondContact OE1-NZ 3.27Å; E227-C231 PolarHBondContact O-N 3.22Å; E227-R440 IonicContact OE2-CZ 2.77Å; E227-R440 IonicContact OE2-NE 2.89Å; E227-R440 IonicContact OE2-NH1 2.64Å; E227-R440 PolarHBondContact OE2-NH1 3.09Å |
| 228 | N | 98 | Very high | 97 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 173.5 | -61.7 | -12.9 | 0 | 0 | 0 | 111.2 | T224 E225 K230 C231 F255 G256 F257 E433 | T224-N228 PolarHBondContact O-N 3.15Å; T224-N228 PolarHBondContact O-OD1 2.83Å; T224-N228 PolarHBondContact OG1-OD1 2.87Å; E225-N228 PolarHBondContact O-N 3.37Å; E225-N228 VanDerWaalsContact O-N 3.12Å; N228-K230 PolarHBondContact O-N 3.11Å; N228-C231 WeakPolarHBondContact O-CB 3.36Å; N228-C231 PolarHBondContact O-N 2.84Å; N228-F255 VanDerWaalsContact CB-O 3.3Å; N228-F255 WeakPolarHBondContact CB-O 3.27Å; N228-F255 PolarHBondContact ND2-O 2.77Å; N228-G256 CarbonylContact C-O 3.54Å; N228-F257 HydrophobicContact CB-CD1 4.05Å; N228-F257 HydrophobicContact CB-CD2 4.01Å; N228-F257 HydrophobicContact CB-CE1 3.78Å; N228-F257 HydrophobicContact CB-CE2 3.74Å; N228-F257 HydrophobicContact CB-CG 4.14Å; N228-F257 HydrophobicContact CB-CZ 3.59Å; N228-F257 VanDerWaalsContact CG-CE2 3.45Å; N228-F257 VanDerWaalsContact OD1-CZ 3.3Å; N228-F257 WeakPolarHBondContact OD1-CZ 3.39Å; N228-E433 PolarHBondContact ND2-OE2 3.13Å |
| 229 | I | 97.4 | Very high | 97 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.9 | 175.2 | -66.3 | 165.1 | 0 | 0 | 0 | 112.5 | E225 E227 G256 | E225-I229 HydrophobicContact CG-CD1 4.28Å; E225-I229 WeakPolarHBondContact O-CG1 3.49Å; E225-I229 PolarHBondContact O-N 3.18Å; E225-I229 VanDerWaalsContact O-N 3.13Å; E227-I229 VanDerWaalsContact C-N 3.28Å; E227-I229 PolarHBondContact O-N 3.41Å; I229-G256 WeakPolarHBondContact CA-O 3.23Å; I229-G256 VanDerWaalsContact CG1-O 3.27Å; I229-G256 WeakPolarHBondContact CG1-O 3.12Å; I229-G256 PolarHBondContact N-O 3.1Å |
| 230 | K | 96.5 | Very high | 97 | Very high | 132 Ų | 132 | 44.1 Ų | 44.1 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.1 | -179.2 | -56.1 | 171.5 | -164.7 | 158.9 | 0 | 112.5 | S226 E227 N228 K232 | S226-K230 VanDerWaalsContact O-CE 3.27Å; S226-K230 WeakPolarHBondContact O-CE 3.21Å; E227-K230 PolarHBondContact O-N 2.72Å; E227-K230 VanDerWaalsContact O-N 3.11Å; E227-K230 IonicContact OE1-NZ 3.87Å; E227-K230 PolarHBondContact OE1-NZ 3.27Å; N228-K230 PolarHBondContact O-N 3.11Å; K230-K232 PolarHBondContact O-N 2.78Å |
| 231 | C | 96.6 | Very high | 97 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 11% | 0.108 | 20% | 0.202 | C | C | . | . | trans | -59.6 | 123.7 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | E227 N228 T233 F257 A436 | E227-C231 PolarHBondContact O-N 3.22Å; N228-C231 WeakPolarHBondContact O-CB 3.36Å; N228-C231 PolarHBondContact O-N 2.84Å; C231-T233 PolarHBondContact SG-N 2.83Å; C231-T233 VanDerWaalsContact SG-N 3.43Å; C231-F257 HydrophobicContact CB-CD1 3.77Å; C231-F257 HydrophobicContact CB-CE1 3.69Å; C231-A436 HydrophobicContact CB-CB 4.43Å | ||
| 232 | K | 93.4 | Very high | 97.1 | Very high | 206 Ų | 206 | 39.3 Ų | 39.3 | 90% | 0.896 | 20% | 0.201 | S | C | * | . | trans | -97.5 | -5.4 | 175.3 | -63.2 | -176.6 | 179.3 | 178.8 | 0 | 113 | K230 S234 | K230-K232 PolarHBondContact O-N 2.78Å; K232-S234 PolarHBondContact O-N 3.31Å | ||
| 233 | T | 93.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 17% | 0.172 | 20% | 0.195 | C | C | . | . | trans | -77.1 | 118.9 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 108.3 | C231 F235 I302 H439 | C231-T233 PolarHBondContact SG-N 2.83Å; C231-T233 VanDerWaalsContact SG-N 3.43Å; T233-F235 HydrophobicContact CG2-CD1 3.86Å; T233-F235 HydrophobicContact CG2-CE1 3.43Å; T233-F235 VanDerWaalsContact CG2-CE1 3.43Å; T233-F235 HydrophobicContact CG2-CZ 4.02Å; T233-I302 HydrophobicContact CG2-CG1 4.03Å; T233-H439 WeakPolarHBondContact CG2-ND1 3.28Å; T233-H439 PolarHBondContact OG1-ND1 3.07Å | ||
| 234 | S | 94.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | trans | -78.1 | 128.6 | 169.6 | 169.9 | 0 | 0 | 0 | 0 | 108.8 | K232 E261 S300 | K232-S234 PolarHBondContact O-N 3.31Å; S234-E261 VanDerWaalsContact OG-CG 3.23Å; S234-E261 WeakPolarHBondContact OG-CG 3.38Å; S234-S300 PolarHBondContact O-OG 3.07Å | ||
| 235 | F | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.8 | -179.3 | -62 | -55.5 | 0 | 0 | 0 | 109.3 | T233 F257 L260 E261 I302 F304 A432 T435 | T233-F235 HydrophobicContact CG2-CD1 3.86Å; T233-F235 HydrophobicContact CG2-CE1 3.43Å; T233-F235 VanDerWaalsContact CG2-CE1 3.43Å; T233-F235 HydrophobicContact CG2-CZ 4.02Å; F235-F257 AromaticContact CE2-CD1 3.94Å; F235-F257 HydrophobicContact CE2-CD1 3.94Å; F235-F257 AromaticContact CE2-CE1 3.92Å; F235-F257 HydrophobicContact CE2-CE1 3.92Å; F235-F257 HydrophobicContact CZ-CE1 4.49Å; F235-L260 HydrophobicContact CB-CD2 3.58Å; F235-L260 HydrophobicContact CD2-CD2 3.98Å; F235-L260 HydrophobicContact CG-CD2 4.22Å; F235-E261 PolarHBondContact O-N 2.92Å; F235-I302 HydrophobicContact CD1-CB 3.78Å; F235-I302 HydrophobicContact CD1-CG1 4.32Å; F235-I302 HydrophobicContact CD1-CG2 3.61Å; F235-I302 HydrophobicContact CE1-CB 4.26Å; F235-I302 HydrophobicContact CE1-CG1 4.3Å; F235-I302 HydrophobicContact CE1-CG2 4.1Å; F235-F304 HydrophobicContact CB-CD2 4.13Å; F235-F304 HydrophobicContact CB-CE2 3.89Å; F235-F304 AromaticContact CD1-CE2 3.66Å; F235-F304 HydrophobicContact CD1-CE2 3.66Å; F235-F304 AromaticContact CD1-CZ 3.96Å; F235-F304 HydrophobicContact CD1-CZ 3.96Å; F235-F304 HydrophobicContact CD2-CE2 4.3Å; F235-F304 HydrophobicContact CE1-CE2 4.24Å; F235-F304 HydrophobicContact CE1-CZ 4.2Å; F235-F304 HydrophobicContact CG-CD2 4.44Å; F235-F304 AromaticContact CG-CE2 3.7Å; F235-F304 HydrophobicContact CG-CE2 3.7Å; F235-F304 HydrophobicContact CG-CZ 4.44Å; F235-A432 HydrophobicContact CD2-CB 4.37Å; F235-A432 HydrophobicContact CE2-CB 3.94Å; F235-A432 HydrophobicContact CZ-CB 4.25Å; F235-T435 HydrophobicContact CE1-CG2 3.84Å; F235-T435 HydrophobicContact CZ-CG2 4.44Å |
| 236 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 138.1 | 171.4 | 168.7 | 0 | 0 | 0 | 0 | 109.9 | E261 V263 A295 I298 I302 I303 F304 | V236-E261 CarbonylContact C-O 3.5Å; V236-E261 VanDerWaalsContact CA-O 3.29Å; V236-E261 WeakPolarHBondContact CA-O 3.21Å; V236-E261 HydrophobicContact CG2-CB 4.2Å; V236-V263 HydrophobicContact CG1-CG2 3.55Å; V236-A295 HydrophobicContact CB-CB 4.28Å; V236-A295 HydrophobicContact CG2-CB 3.76Å; V236-I298 HydrophobicContact CG2-CD1 3.65Å; V236-I298 HydrophobicContact CG2-CG1 4.36Å; V236-I302 PolarHBondContact N-O 3.35Å; V236-I303 HydrophobicContact CB-CG1 4.12Å; V236-I303 HydrophobicContact CG1-CG1 4.27Å; V236-I303 HydrophobicContact CG1-CG2 4.45Å; V236-I303 CarbonylContact O-C 3.51Å; V236-I303 WeakPolarHBondContact O-CA 3.2Å; V236-F304 PolarHBondContact O-N 2.79Å |
| 237 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.4 | -179.9 | 174.3 | -105.3 | 0 | 0 | 0 | 112.4 | P239 G244 W245 V248 L260 E261 P262 V263 I267 F304 N306 L428 | Y237-P239 HydrophobicContact CE1-CB 4.12Å; Y237-P239 HydrophobicContact CE1-CG 4.06Å; Y237-P239 WeakPolarHBondContact OH-CB 3.47Å; Y237-G244 VanDerWaalsContact OH-C 3.25Å; Y237-G244 WeakPolarHBondContact OH-CA 3.32Å; Y237-W245 HydrophobicContact CD1-CD2 4.49Å; Y237-W245 AromaticContact CD1-CE3 3.46Å; Y237-W245 HydrophobicContact CD1-CE3 3.46Å; Y237-W245 VanDerWaalsContact CD1-CE3 3.46Å; Y237-W245 AromaticContact CD1-CZ3 3.8Å; Y237-W245 HydrophobicContact CD1-CZ3 3.8Å; Y237-W245 HydrophobicContact CE1-CB 4.17Å; Y237-W245 HydrophobicContact CE1-CD2 4.39Å; Y237-W245 AromaticContact CE1-CE3 3.57Å; Y237-W245 HydrophobicContact CE1-CE3 3.57Å; Y237-W245 HydrophobicContact CE1-CZ3 4.35Å; Y237-W245 PolarHBondContact OH-N 2.71Å; Y237-V248 HydrophobicContact CD2-CG1 4.14Å; Y237-V248 HydrophobicContact CE1-CB 4.48Å; Y237-V248 HydrophobicContact CE1-CG1 4.41Å; Y237-V248 HydrophobicContact CE2-CB 4.31Å; Y237-V248 HydrophobicContact CE2-CG1 3.98Å; Y237-V248 HydrophobicContact CE2-CG2 3.95Å; Y237-V248 HydrophobicContact CG-CG1 4.4Å; Y237-L260 HydrophobicContact CD2-CD1 4.32Å; Y237-L260 HydrophobicContact CG-CD1 3.98Å; Y237-E261 PolarHBondContact N-O 3.34Å; Y237-P262 WeakPolarHBondContact O-CA 3.35Å; Y237-V263 PolarHBondContact O-N 2.78Å; Y237-I267 HydrophobicContact CD1-CD1 3.92Å; Y237-I267 HydrophobicContact CE1-CD1 4.03Å; Y237-F304 WeakPolarHBondContact CA-O 3.16Å; Y237-F304 HydrophobicContact CD2-CB 4.27Å; Y237-N306 WeakPolarHBondContact CE2-OD1 3.5Å; Y237-N306 PolarHBondContact OH-OD1 3.46Å; Y237-N306 VanDerWaalsContact OH-OD1 3.11Å; Y237-L428 HydrophobicContact CD2-CD1 3.61Å; Y237-L428 HydrophobicContact CE2-CD1 3.62Å |
| 238 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.4 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | M240 Q266 F304 A305 N306 | T238-M240 VanDerWaalsContact C-N 3.26Å; T238-M240 HydrophobicContact CG2-CG 4.32Å; T238-M240 PolarHBondContact OG1-N 2.85Å; T238-Q266 VanDerWaalsContact OG1-CB 3.25Å; T238-Q266 WeakPolarHBondContact OG1-CB 3.32Å; T238-Q266 PolarHBondContact OG1-OE1 3.09Å; T238-F304 PolarHBondContact N-O 2.88Å; T238-A305 HydrophobicContact CG2-CB 3.72Å; T238-A305 VanDerWaalsContact O-CA 3.29Å; T238-A305 WeakPolarHBondContact O-CA 3.25Å; T238-N306 PolarHBondContact O-N 3.4Å |
| 239 | P | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -86 | 4.6 | 166.5 | 33.7 | -30.8 | 0 | 0 | 0 | 112.5 | Y237 H241 G242 Q266 I267 N306 | Y237-P239 HydrophobicContact CE1-CB 4.12Å; Y237-P239 HydrophobicContact CE1-CG 4.06Å; Y237-P239 WeakPolarHBondContact OH-CB 3.47Å; P239-H241 VanDerWaalsContact C-N 3.34Å; P239-H241 PolarHBondContact O-N 3.21Å; P239-G242 WeakPolarHBondContact O-CA 3.42Å; P239-G242 PolarHBondContact O-N 2.81Å; P239-Q266 WeakPolarHBondContact CD-O 3.12Å; P239-Q266 VanDerWaalsContact CG-O 3.27Å; P239-Q266 WeakPolarHBondContact CG-O 3.46Å; P239-I267 HydrophobicContact CG-CD1 4.13Å; P239-N306 CarbonylContact C-O 3.47Å | ||
| 240 | M | 97.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 46.2 | -175.7 | -57.7 | 179.9 | 72.9 | 0 | 0 | 113.2 | T238 G242 V276 P281 A287 | T238-M240 VanDerWaalsContact C-N 3.26Å; T238-M240 HydrophobicContact CG2-CG 4.32Å; T238-M240 PolarHBondContact OG1-N 2.85Å; M240-G242 PolarHBondContact O-N 2.94Å; M240-V276 HydrophobicContact CE-CB 4.27Å; M240-V276 HydrophobicContact CE-CG1 3.84Å; M240-V276 HydrophobicContact CE-CG2 4.2Å; M240-P281 HydrophobicContact SD-CB 3.84Å; M240-P281 HydrophobicContact SD-CG 4.21Å; M240-A287 HydrophobicContact CE-CB 3.63Å; M240-A287 HydrophobicContact SD-CB 4.44Å |
| 241 | H | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20.9 | -169.4 | -43.7 | -90.9 | 0 | 0 | 0 | 115 | P239 E265 Q266 T268 P269 N270 F273 T275 | P239-H241 VanDerWaalsContact C-N 3.34Å; P239-H241 PolarHBondContact O-N 3.21Å; H241-E265 PolarHBondContact CE1-O 2.94Å; H241-Q266 WeakPolarHBondContact CA-O 3.5Å; H241-Q266 PolarHBondContact N-O 2.99Å; H241-T268 WeakPolarHBondContact CA-O 3.38Å; H241-P269 CarbonylContact O-C 3.51Å; H241-P269 VanDerWaalsContact O-CA 3.24Å; H241-P269 WeakPolarHBondContact O-CA 3.3Å; H241-N270 HydrophobicContact CB-CB 3.84Å; H241-N270 PolarHBondContact O-N 2.72Å; H241-F273 HydrophobicContact CB-CD1 3.98Å; H241-F273 HydrophobicContact CB-CE1 4.5Å; H241-T275 PolarHBondContact NE2-OG1 3.17Å |
| 242 | G | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -88.2 | -169.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P239 M240 P308 | P239-G242 WeakPolarHBondContact O-CA 3.42Å; P239-G242 PolarHBondContact O-N 2.81Å; M240-G242 PolarHBondContact O-N 2.94Å; G242-P308 CarbonylContact C-O 3.53Å; G242-P308 WeakPolarHBondContact CA-O 3.47Å |
| 243 | V | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -103.7 | 5.8 | -167.8 | -51.1 | 0 | 0 | 0 | 0 | 113.3 | D96 A97 T125 F126 P127 W245 P308 | D96-V243 HydrophobicContact CB-CG1 4.31Å; A97-V243 HydrophobicContact CB-CG1 3.9Å; T125-V243 HydrophobicContact CG2-CG1 4.36Å; F126-V243 WeakPolarHBondContact O-CG2 3.44Å; P127-V243 HydrophobicContact CG-CG2 4.3Å; V243-W245 PolarHBondContact O-N 3.44Å; V243-P308 WeakPolarHBondContact CG2-O 3.44Å; V243-P308 PolarHBondContact N-O 2.68Å |
| 244 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -70.8 | -26.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y237 E246 A247 V248 | Y237-G244 VanDerWaalsContact OH-C 3.25Å; Y237-G244 WeakPolarHBondContact OH-CA 3.32Å; G244-E246 PolarHBondContact O-N 2.89Å; G244-A247 PolarHBondContact O-N 3Å; G244-V248 WeakPolarHBondContact O-CB 3.35Å; G244-V248 WeakPolarHBondContact O-CG2 3.3Å; G244-V248 PolarHBondContact O-N 3.29Å | ||
| 245 | W | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 19.1 Ų | 19.1 | 20% | 0.197 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | -164.1 | 175.9 | -131.7 | 0 | 0 | 0 | 114.6 | Y237 V243 A247 V248 K249 L260 P262 I267 | Y237-W245 HydrophobicContact CD1-CD2 4.49Å; Y237-W245 AromaticContact CD1-CE3 3.46Å; Y237-W245 HydrophobicContact CD1-CE3 3.46Å; Y237-W245 VanDerWaalsContact CD1-CE3 3.46Å; Y237-W245 AromaticContact CD1-CZ3 3.8Å; Y237-W245 HydrophobicContact CD1-CZ3 3.8Å; Y237-W245 HydrophobicContact CE1-CB 4.17Å; Y237-W245 HydrophobicContact CE1-CD2 4.39Å; Y237-W245 AromaticContact CE1-CE3 3.57Å; Y237-W245 HydrophobicContact CE1-CE3 3.57Å; Y237-W245 HydrophobicContact CE1-CZ3 4.35Å; Y237-W245 PolarHBondContact OH-N 2.71Å; V243-W245 PolarHBondContact O-N 3.44Å; W245-A247 VanDerWaalsContact C-N 3.31Å; W245-A247 PolarHBondContact O-N 3.01Å; W245-V248 PolarHBondContact O-N 3.33Å; W245-K249 HydrophobicContact CD2-CB 4.19Å; W245-K249 HydrophobicContact CD2-CD 4.11Å; W245-K249 HydrophobicContact CE3-CB 3.94Å; W245-K249 HydrophobicContact CH2-CB 3.82Å; W245-K249 HydrophobicContact CZ2-CB 4.03Å; W245-K249 HydrophobicContact CZ2-CD 3.94Å; W245-K249 HydrophobicContact CZ3-CB 3.77Å; W245-K249 WeakPolarHBondContact O-CB 3.36Å; W245-K249 WeakPolarHBondContact O-CG 3.44Å; W245-K249 PolarHBondContact O-N 3.25Å; W245-L260 HydrophobicContact CZ3-CB 4.28Å; W245-L260 HydrophobicContact CZ3-CD1 4.46Å; W245-P262 HydrophobicContact CH2-CB 4.33Å; W245-P262 HydrophobicContact CZ2-CB 4.42Å; W245-P262 HydrophobicContact CZ2-CG 4.48Å; W245-I267 HydrophobicContact CB-CD1 3.84Å; W245-I267 HydrophobicContact CB-CG1 4.35Å; W245-I267 HydrophobicContact CD2-CD1 3.5Å; W245-I267 VanDerWaalsContact CD2-CD1 3.5Å; W245-I267 HydrophobicContact CD2-CG1 4.03Å; W245-I267 HydrophobicContact CE3-CD1 3.79Å; W245-I267 HydrophobicContact CG-CD1 3.54Å; W245-I267 HydrophobicContact CG-CG1 3.83Å; W245-I267 HydrophobicContact CZ3-CD1 4.47Å |
| 246 | E | 97.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 19.5 Ų | 19.5 | 39% | 0.388 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.8 | -39.3 | -176.9 | -67.3 | -57.7 | 120.5 | 0 | 0 | 112.3 | F126 G244 K249 T250 | F126-E246 HydrophobicContact CE1-CB 4.26Å; G244-E246 PolarHBondContact O-N 2.89Å; E246-K249 VanDerWaalsContact CD-CE 3.46Å; E246-K249 WeakPolarHBondContact OE1-CE 3.17Å; E246-K249 IonicContact OE1-NZ 3.73Å; E246-K249 PolarHBondContact OE1-NZ 2.85Å; E246-K249 WeakPolarHBondContact OE2-CE 3.44Å; E246-K249 IonicContact OE2-NZ 3.19Å; E246-K249 PolarHBondContact OE2-NZ 3.4Å; E246-T250 WeakPolarHBondContact O-CB 3.31Å; E246-T250 PolarHBondContact O-N 2.88Å; E246-T250 PolarHBondContact O-OG1 2.82Å |
| 247 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.7 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P127 M130 L210 G244 W245 T250 L251 V425 | P127-A247 HydrophobicContact CG-CB 3.82Å; M130-A247 HydrophobicContact CE-CB 4.1Å; L210-A247 HydrophobicContact CD1-CB 4.32Å; G244-A247 PolarHBondContact O-N 3Å; W245-A247 VanDerWaalsContact C-N 3.31Å; W245-A247 PolarHBondContact O-N 3.01Å; A247-T250 PolarHBondContact O-N 3.35Å; A247-L251 WeakPolarHBondContact O-CB 3.47Å; A247-L251 PolarHBondContact O-N 2.67Å; A247-V425 HydrophobicContact CB-CG1 3.92Å; A247-V425 HydrophobicContact CB-CG2 4.12Å |
| 248 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -52.1 | -180 | 166 | 0 | 0 | 0 | 0 | 111.1 | Y237 G244 W245 T250 L251 V252 L260 V425 L428 | Y237-V248 HydrophobicContact CD2-CG1 4.14Å; Y237-V248 HydrophobicContact CE1-CB 4.48Å; Y237-V248 HydrophobicContact CE1-CG1 4.41Å; Y237-V248 HydrophobicContact CE2-CB 4.31Å; Y237-V248 HydrophobicContact CE2-CG1 3.98Å; Y237-V248 HydrophobicContact CE2-CG2 3.95Å; Y237-V248 HydrophobicContact CG-CG1 4.4Å; G244-V248 WeakPolarHBondContact O-CB 3.35Å; G244-V248 WeakPolarHBondContact O-CG2 3.3Å; G244-V248 PolarHBondContact O-N 3.29Å; W245-V248 PolarHBondContact O-N 3.33Å; V248-T250 PolarHBondContact O-N 3.34Å; V248-L251 PolarHBondContact O-N 3.47Å; V248-V252 HydrophobicContact CG1-CG2 4.24Å; V248-V252 WeakPolarHBondContact O-CB 3.24Å; V248-V252 WeakPolarHBondContact O-CG2 3.42Å; V248-V252 PolarHBondContact O-N 2.89Å; V248-L260 HydrophobicContact CG1-CD1 3.36Å; V248-V425 HydrophobicContact CG2-CB 4.33Å; V248-V425 HydrophobicContact CG2-CG1 3.95Å; V248-V425 HydrophobicContact CG2-CG2 4.11Å; V248-L428 HydrophobicContact CG1-CD1 3.78Å; V248-L428 HydrophobicContact CG1-CD2 3.92Å; V248-L428 HydrophobicContact CG2-CD1 4.05Å |
| 249 | K | 98.2 | Very high | 98.1 | Very high | 76 Ų | 76 | 28.5 Ų | 28.5 | 33% | 0.33 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.9 | -37.3 | -178.4 | 79.1 | -173 | -170.1 | -174.1 | 0 | 111.7 | W245 E246 S253 | W245-K249 HydrophobicContact CD2-CB 4.19Å; W245-K249 HydrophobicContact CD2-CD 4.11Å; W245-K249 HydrophobicContact CE3-CB 3.94Å; W245-K249 HydrophobicContact CH2-CB 3.82Å; W245-K249 HydrophobicContact CZ2-CB 4.03Å; W245-K249 HydrophobicContact CZ2-CD 3.94Å; W245-K249 HydrophobicContact CZ3-CB 3.77Å; W245-K249 WeakPolarHBondContact O-CB 3.36Å; W245-K249 WeakPolarHBondContact O-CG 3.44Å; W245-K249 PolarHBondContact O-N 3.25Å; E246-K249 VanDerWaalsContact CD-CE 3.46Å; E246-K249 WeakPolarHBondContact OE1-CE 3.17Å; E246-K249 IonicContact OE1-NZ 3.73Å; E246-K249 PolarHBondContact OE1-NZ 2.85Å; E246-K249 WeakPolarHBondContact OE2-CE 3.44Å; E246-K249 IonicContact OE2-NZ 3.19Å; E246-K249 PolarHBondContact OE2-NZ 3.4Å; K249-S253 VanDerWaalsContact O-CB 3.31Å; K249-S253 WeakPolarHBondContact O-CB 3.42Å; K249-S253 PolarHBondContact O-N 2.89Å; K249-S253 VanDerWaalsContact O-N 3.15Å |
| 250 | T | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 28.9 Ų | 28.9 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.8 | -45.4 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L210 E246 A247 V248 C254 | L210-T250 HydrophobicContact CD2-CG2 4.33Å; L210-T250 HydrophobicContact CG-CG2 4.4Å; E246-T250 WeakPolarHBondContact O-CB 3.31Å; E246-T250 PolarHBondContact O-N 2.88Å; E246-T250 PolarHBondContact O-OG1 2.82Å; A247-T250 PolarHBondContact O-N 3.35Å; V248-T250 PolarHBondContact O-N 3.34Å; T250-C254 PolarHBondContact O-N 3.42Å; T250-C254 PolarHBondContact O-SG 2.91Å |
| 251 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | -178.9 | -177.8 | 63.7 | 0 | 0 | 0 | 112.3 | Y213 C214 Q217 A247 V248 S253 C254 F255 V425 A429 | Y213-L251 HydrophobicContact CE1-CD1 4.39Å; Y213-L251 HydrophobicContact CE1-CD2 3.97Å; C214-L251 HydrophobicContact CB-CD1 4.17Å; Q217-L251 HydrophobicContact CB-CD1 3.63Å; Q217-L251 HydrophobicContact CG-CD1 4.17Å; Q217-L251 HydrophobicContact CG-CD2 4.42Å; A247-L251 WeakPolarHBondContact O-CB 3.47Å; A247-L251 PolarHBondContact O-N 2.67Å; V248-L251 PolarHBondContact O-N 3.47Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 2.97Å; L251-C254 CarbonylContact O-C 3.57Å; L251-C254 WeakPolarHBondContact O-CA 3.35Å; L251-C254 VanDerWaalsContact O-CB 3.31Å; L251-C254 WeakPolarHBondContact O-CB 3.28Å; L251-C254 PolarHBondContact O-N 3.04Å; L251-F255 HydrophobicContact CD1-CD2 3.95Å; L251-F255 HydrophobicContact CD1-CE2 3.64Å; L251-F255 HydrophobicContact CG-CD2 4.31Å; L251-F255 HydrophobicContact CG-CE2 4.2Å; L251-F255 PolarHBondContact O-N 2.77Å; L251-V425 HydrophobicContact CB-CG1 4.37Å; L251-V425 HydrophobicContact CD2-CG1 3.95Å; L251-A429 HydrophobicContact CD2-CB 3.58Å; L251-A429 HydrophobicContact CG-CB 3.77Å |
| 252 | V | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.5 | 167 | 0 | 0 | 0 | 0 | 110.7 | V248 C254 F255 G256 F257 L260 L428 | V248-V252 HydrophobicContact CG1-CG2 4.24Å; V248-V252 WeakPolarHBondContact O-CB 3.24Å; V248-V252 WeakPolarHBondContact O-CG2 3.42Å; V248-V252 PolarHBondContact O-N 2.89Å; V252-C254 VanDerWaalsContact C-N 3.33Å; V252-C254 PolarHBondContact O-N 3.11Å; V252-F255 PolarHBondContact O-N 2.77Å; V252-F255 VanDerWaalsContact O-N 3.16Å; V252-G256 PolarHBondContact O-N 2.85Å; V252-F257 HydrophobicContact CG1-CB 3.44Å; V252-F257 VanDerWaalsContact CG1-CB 3.44Å; V252-F257 HydrophobicContact CG1-CD2 4.39Å; V252-F257 HydrophobicContact CG1-CG 4.23Å; V252-F257 PolarHBondContact O-N 2.71Å; V252-L260 HydrophobicContact CG1-CD2 3.8Å; V252-L260 HydrophobicContact CG1-CG 4.04Å; V252-L260 HydrophobicContact CG2-CD1 4.13Å; V252-L260 HydrophobicContact CG2-CD2 4.31Å; V252-L260 HydrophobicContact CG2-CG 4.36Å; V252-L428 HydrophobicContact CG2-CD2 3.61Å |
| 253 | S | 98.1 | Very high | 98.2 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 58% | 0.58 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60.8 | -40.3 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | K249 L251 F255 G256 | K249-S253 VanDerWaalsContact O-CB 3.31Å; K249-S253 WeakPolarHBondContact O-CB 3.42Å; K249-S253 PolarHBondContact O-N 2.89Å; K249-S253 VanDerWaalsContact O-N 3.15Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 2.97Å; S253-F255 VanDerWaalsContact C-N 3.27Å; S253-F255 PolarHBondContact O-N 2.8Å; S253-G256 PolarHBondContact O-N 3.06Å |
| 254 | C | 98.1 | Very high | 98.1 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 27% | 0.27 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -31.1 | 175.7 | -70 | 0 | 0 | 0 | 0 | 113.2 | C214 K218 T250 L251 V252 G256 | C214-C254 HydrophobicContact CB-CB 4.27Å; K218-C254 WeakPolarHBondContact CD-O 3.24Å; K218-C254 VanDerWaalsContact CE-O 3.27Å; K218-C254 WeakPolarHBondContact CE-O 3.39Å; K218-C254 PolarHBondContact NZ-O 2.78Å; K218-C254 VanDerWaalsContact NZ-O 3.1Å; T250-C254 PolarHBondContact O-N 3.42Å; T250-C254 PolarHBondContact O-SG 2.91Å; L251-C254 CarbonylContact O-C 3.57Å; L251-C254 WeakPolarHBondContact O-CA 3.35Å; L251-C254 VanDerWaalsContact O-CB 3.31Å; L251-C254 WeakPolarHBondContact O-CB 3.28Å; L251-C254 PolarHBondContact O-N 3.04Å; V252-C254 VanDerWaalsContact C-N 3.33Å; V252-C254 PolarHBondContact O-N 3.11Å; C254-G256 PolarHBondContact O-N 3.45Å |
| 255 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.8 | 174.9 | -85.6 | -137.1 | 0 | 0 | 0 | 113.1 | Q217 K218 L221 C222 N228 L251 V252 S253 F257 A429 | Q217-F255 HydrophobicContact CB-CE2 4.15Å; Q217-F255 HydrophobicContact CB-CZ 4.45Å; K218-F255 HydrophobicContact CB-CD2 4.31Å; K218-F255 HydrophobicContact CB-CE2 4.14Å; L221-F255 HydrophobicContact CB-CE1 4.5Å; L221-F255 HydrophobicContact CB-CZ 4.08Å; C222-F255 HydrophobicContact CB-CD1 3.81Å; C222-F255 HydrophobicContact CB-CD2 4.06Å; C222-F255 HydrophobicContact CB-CE1 3.81Å; C222-F255 HydrophobicContact CB-CE2 4.06Å; C222-F255 HydrophobicContact CB-CG 3.94Å; C222-F255 HydrophobicContact CB-CZ 3.94Å; N228-F255 VanDerWaalsContact CB-O 3.3Å; N228-F255 WeakPolarHBondContact CB-O 3.27Å; N228-F255 PolarHBondContact ND2-O 2.77Å; L251-F255 HydrophobicContact CD1-CD2 3.95Å; L251-F255 HydrophobicContact CD1-CE2 3.64Å; L251-F255 HydrophobicContact CG-CD2 4.31Å; L251-F255 HydrophobicContact CG-CE2 4.2Å; L251-F255 PolarHBondContact O-N 2.77Å; V252-F255 PolarHBondContact O-N 2.77Å; V252-F255 VanDerWaalsContact O-N 3.16Å; S253-F255 VanDerWaalsContact C-N 3.27Å; S253-F255 PolarHBondContact O-N 2.8Å; F255-F257 HydrophobicContact CB-CD2 3.97Å; F255-F257 HydrophobicContact CB-CE2 4.31Å; F255-A429 HydrophobicContact CD1-CB 3.84Å; F255-A429 HydrophobicContact CD2-CB 4.39Å; F255-A429 HydrophobicContact CE1-CB 3.76Å; F255-A429 HydrophobicContact CE2-CB 4.32Å; F255-A429 HydrophobicContact CG-CB 4.16Å; F255-A429 HydrophobicContact CZ-CB 4.01Å |
| 256 | G | 98.2 | Very high | 98.1 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 5.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N228 I229 V252 S253 C254 | N228-G256 CarbonylContact C-O 3.54Å; I229-G256 WeakPolarHBondContact CA-O 3.23Å; I229-G256 VanDerWaalsContact CG1-O 3.27Å; I229-G256 WeakPolarHBondContact CG1-O 3.12Å; I229-G256 PolarHBondContact N-O 3.1Å; V252-G256 PolarHBondContact O-N 2.85Å; S253-G256 PolarHBondContact O-N 3.06Å; C254-G256 PolarHBondContact O-N 3.45Å |
| 257 | F | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.044 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 151.4 | -179.8 | -80.2 | -71.9 | 0 | 0 | 0 | 113 | N228 C231 F235 V252 F255 A432 E433 A436 | N228-F257 HydrophobicContact CB-CD1 4.05Å; N228-F257 HydrophobicContact CB-CD2 4.01Å; N228-F257 HydrophobicContact CB-CE1 3.78Å; N228-F257 HydrophobicContact CB-CE2 3.74Å; N228-F257 HydrophobicContact CB-CG 4.14Å; N228-F257 HydrophobicContact CB-CZ 3.59Å; N228-F257 VanDerWaalsContact CG-CE2 3.45Å; N228-F257 VanDerWaalsContact OD1-CZ 3.3Å; N228-F257 WeakPolarHBondContact OD1-CZ 3.39Å; C231-F257 HydrophobicContact CB-CD1 3.77Å; C231-F257 HydrophobicContact CB-CE1 3.69Å; F235-F257 AromaticContact CE2-CD1 3.94Å; F235-F257 HydrophobicContact CE2-CD1 3.94Å; F235-F257 AromaticContact CE2-CE1 3.92Å; F235-F257 HydrophobicContact CE2-CE1 3.92Å; F235-F257 HydrophobicContact CZ-CE1 4.49Å; V252-F257 HydrophobicContact CG1-CB 3.44Å; V252-F257 VanDerWaalsContact CG1-CB 3.44Å; V252-F257 HydrophobicContact CG1-CD2 4.39Å; V252-F257 HydrophobicContact CG1-CG 4.23Å; V252-F257 PolarHBondContact O-N 2.71Å; F255-F257 HydrophobicContact CB-CD2 3.97Å; F255-F257 HydrophobicContact CB-CE2 4.31Å; F257-A432 HydrophobicContact CD2-CB 4.21Å; F257-A432 HydrophobicContact CE2-CB 3.81Å; F257-A432 VanDerWaalsContact CZ-C 3.46Å; F257-A432 HydrophobicContact CZ-CB 4Å; F257-A432 WeakPolarHBondContact CZ-O 3.39Å; F257-E433 HydrophobicContact CE2-CB 4.27Å; F257-E433 HydrophobicContact CZ-CB 4.28Å; F257-A436 HydrophobicContact CE1-CB 3.86Å; F257-A436 HydrophobicContact CZ-CB 4.07Å |
| 258 | P | 96.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 155.7 | 160.4 | -21.8 | 33.4 | 0 | 0 | 0 | 111.6 | L260 | P258-L260 PolarHBondContact O-N 2.74Š|
| 259 | P | 97 | Very high | 98.1 | Very high | 119 Ų | 119 | 44.3 Ų | 44.3 | 77% | 0.773 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 140.3 | 174.9 | -25.2 | 34.7 | 0 | 0 | 0 | 112.2 | ||
| 260 | L | 98 | Very high | 98.1 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 157.4 | 169.9 | -51.2 | -179.5 | 0 | 0 | 0 | 110.1 | F235 Y237 W245 V248 V252 P258 P262 L428 | F235-L260 HydrophobicContact CB-CD2 3.58Å; F235-L260 HydrophobicContact CD2-CD2 3.98Å; F235-L260 HydrophobicContact CG-CD2 4.22Å; Y237-L260 HydrophobicContact CD2-CD1 4.32Å; Y237-L260 HydrophobicContact CG-CD1 3.98Å; W245-L260 HydrophobicContact CZ3-CB 4.28Å; W245-L260 HydrophobicContact CZ3-CD1 4.46Å; V248-L260 HydrophobicContact CG1-CD1 3.36Å; V252-L260 HydrophobicContact CG1-CD2 3.8Å; V252-L260 HydrophobicContact CG1-CG 4.04Å; V252-L260 HydrophobicContact CG2-CD1 4.13Å; V252-L260 HydrophobicContact CG2-CD2 4.31Å; V252-L260 HydrophobicContact CG2-CG 4.36Å; P258-L260 PolarHBondContact O-N 2.74Å; L260-P262 VanDerWaalsContact O-CD 3.29Å; L260-P262 WeakPolarHBondContact O-CD 3.45Å; L260-L428 HydrophobicContact CD1-CD2 4.17Å |
| 261 | E | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104.8 | 174.9 | -63.7 | -69.9 | 178.9 | 0 | 0 | 109.7 | S234 F235 V236 Y237 I298 | S234-E261 VanDerWaalsContact OG-CG 3.23Å; S234-E261 WeakPolarHBondContact OG-CG 3.38Å; F235-E261 PolarHBondContact O-N 2.92Å; V236-E261 CarbonylContact C-O 3.5Å; V236-E261 VanDerWaalsContact CA-O 3.29Å; V236-E261 WeakPolarHBondContact CA-O 3.21Å; V236-E261 HydrophobicContact CG2-CB 4.2Å; Y237-E261 PolarHBondContact N-O 3.34Å; E261-I298 HydrophobicContact CB-CD1 3.55Å; E261-I298 HydrophobicContact CG-CD1 3.57Å |
| 262 | P | 98.2 | Very high | 98 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 137.6 | -175.8 | 30.6 | -34.1 | 0 | 0 | 0 | 111.3 | Y237 W245 L260 P264 I267 | Y237-P262 WeakPolarHBondContact O-CA 3.35Å; W245-P262 HydrophobicContact CH2-CB 4.33Å; W245-P262 HydrophobicContact CZ2-CB 4.42Å; W245-P262 HydrophobicContact CZ2-CG 4.48Å; L260-P262 VanDerWaalsContact O-CD 3.29Å; L260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-P264 WeakPolarHBondContact O-CD 3.5Å; P262-P264 VanDerWaalsContact O-N 3.17Å; P262-I267 HydrophobicContact CB-CB 4.18Å; P262-I267 HydrophobicContact CB-CD1 3.5Å; P262-I267 VanDerWaalsContact CB-CD1 3.5Å; P262-I267 HydrophobicContact CB-CG1 3.65Å |
| 263 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -67.6 | 107.7 | 167 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | V236 Y237 E265 Q266 I267 L290 H294 | V236-V263 HydrophobicContact CG1-CG2 3.55Å; Y237-V263 PolarHBondContact O-N 2.78Å; V263-E265 VanDerWaalsContact C-N 3.29Å; V263-E265 PolarHBondContact O-N 3.28Å; V263-Q266 HydrophobicContact CB-CB 4.47Å; V263-Q266 HydrophobicContact CG1-CB 4.17Å; V263-Q266 HydrophobicContact CG1-CG 4.35Å; V263-Q266 PolarHBondContact O-N 3.06Å; V263-I267 PolarHBondContact O-N 2.71Å; V263-I267 VanDerWaalsContact O-N 3.13Å; V263-L290 HydrophobicContact CG1-CB 3.92Å; V263-H294 HydrophobicContact CG2-CB 4.29Å | ||
| 264 | P | 97.9 | Very high | 97.8 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -60.2 | -37.4 | -167.3 | -26.1 | 36.5 | 0 | 0 | 0 | 113.6 | P262 Q266 | P262-P264 WeakPolarHBondContact O-CD 3.5Å; P262-P264 VanDerWaalsContact O-N 3.17Å; P264-Q266 PolarHBondContact O-N 2.76Å |
| 265 | E | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 47 Ų | 47 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -73.7 | -10.4 | -177.5 | -58.2 | 94.4 | 145.4 | 0 | 0 | 113.8 | H241 V263 L290 | H241-E265 PolarHBondContact CE1-O 2.94Å; V263-E265 VanDerWaalsContact C-N 3.29Å; V263-E265 PolarHBondContact O-N 3.28Å; E265-L290 HydrophobicContact CB-CD1 4.12Å |
| 266 | Q | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -127.6 | 1.4 | -175.1 | -70.3 | -176.9 | -35.5 | 0 | 0 | 113.5 | T238 P239 H241 V263 P264 T275 L290 | T238-Q266 VanDerWaalsContact OG1-CB 3.25Å; T238-Q266 WeakPolarHBondContact OG1-CB 3.32Å; T238-Q266 PolarHBondContact OG1-OE1 3.09Å; P239-Q266 WeakPolarHBondContact CD-O 3.12Å; P239-Q266 VanDerWaalsContact CG-O 3.27Å; P239-Q266 WeakPolarHBondContact CG-O 3.46Å; H241-Q266 WeakPolarHBondContact CA-O 3.5Å; H241-Q266 PolarHBondContact N-O 2.99Å; V263-Q266 HydrophobicContact CB-CB 4.47Å; V263-Q266 HydrophobicContact CG1-CB 4.17Å; V263-Q266 HydrophobicContact CG1-CG 4.35Å; V263-Q266 PolarHBondContact O-N 3.06Å; P264-Q266 PolarHBondContact O-N 2.76Å; Q266-T275 WeakPolarHBondContact CG-OG1 3.41Å; Q266-T275 PolarHBondContact NE2-OG1 2.75Å; Q266-L290 HydrophobicContact CG-CD1 3.88Å |
| 267 | I | 98.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -77.4 | -33.3 | -170.5 | -163.9 | 60.5 | 0 | 0 | 0 | 113.7 | Y237 P239 W245 P262 V263 | Y237-I267 HydrophobicContact CD1-CD1 3.92Å; Y237-I267 HydrophobicContact CE1-CD1 4.03Å; P239-I267 HydrophobicContact CG-CD1 4.13Å; W245-I267 HydrophobicContact CB-CD1 3.84Å; W245-I267 HydrophobicContact CB-CG1 4.35Å; W245-I267 HydrophobicContact CD2-CD1 3.5Å; W245-I267 VanDerWaalsContact CD2-CD1 3.5Å; W245-I267 HydrophobicContact CD2-CG1 4.03Å; W245-I267 HydrophobicContact CE3-CD1 3.79Å; W245-I267 HydrophobicContact CG-CD1 3.54Å; W245-I267 HydrophobicContact CG-CG1 3.83Å; W245-I267 HydrophobicContact CZ3-CD1 4.47Å; P262-I267 HydrophobicContact CB-CB 4.18Å; P262-I267 HydrophobicContact CB-CD1 3.5Å; P262-I267 VanDerWaalsContact CB-CD1 3.5Å; P262-I267 HydrophobicContact CB-CG1 3.65Å; V263-I267 PolarHBondContact O-N 2.71Å; V263-I267 VanDerWaalsContact O-N 3.13Å |
| 268 | T | 97.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -84.9 | 139 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | H241 N270 | H241-T268 WeakPolarHBondContact CA-O 3.38Å; T268-N270 PolarHBondContact O-N 3.25Å |
| 269 | P | 98.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | trans | -54.2 | 127.4 | 171.7 | -26.4 | 34.4 | 0 | 0 | 0 | 112.7 | A97 H241 | A97-P269 HydrophobicContact CB-CB 3.58Å; H241-P269 CarbonylContact O-C 3.51Å; H241-P269 VanDerWaalsContact O-CA 3.24Å; H241-P269 WeakPolarHBondContact O-CA 3.3Å | ||
| 270 | N | 98.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | trans | -144.1 | 115.6 | 176.1 | -173 | -27.6 | 0 | 0 | 0 | 110.8 | H241 T268 D272 F273 | H241-N270 HydrophobicContact CB-CB 3.84Å; H241-N270 PolarHBondContact O-N 2.72Å; T268-N270 PolarHBondContact O-N 3.25Å; N270-D272 PolarHBondContact O-N 3.4Å; N270-D272 VanDerWaalsContact O-N 3.14Å; N270-D272 PolarHBondContact OD1-N 2.88Å; N270-F273 WeakPolarHBondContact O-CD1 3.16Å; N270-F273 PolarHBondContact O-N 3.02Å | ||
| 271 | P | 97.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.1 | -177 | 23.2 | -33.6 | 0 | 0 | 0 | 114.5 | A97 H99 F273 | A97-P271 VanDerWaalsContact O-CB 3.25Å; A97-P271 WeakPolarHBondContact O-CB 3.13Å; H99-P271 VanDerWaalsContact CE1-CG 3.44Å; H99-P271 WeakPolarHBondContact CE1-CG 3.5Å; P271-F273 VanDerWaalsContact C-N 3.35Å |
| 272 | D | 97.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | -175.9 | -66.5 | -42.6 | 0 | 0 | 0 | 113.4 | H99 K153 N270 P274 | H99-D272 IonicContact CD2-OD1 3.78Å; H99-D272 IonicContact CE1-OD1 3.11Å; H99-D272 IonicContact NE2-OD1 3.34Å; H99-D272 PolarHBondContact NE2-OD1 2.81Å; K153-D272 WeakPolarHBondContact CD-O 3.43Å; N270-D272 PolarHBondContact O-N 3.4Å; N270-D272 VanDerWaalsContact O-N 3.14Å; N270-D272 PolarHBondContact OD1-N 2.88Å; D272-P274 VanDerWaalsContact C-N 3.33Å |
| 273 | F | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | trans | 42.9 | 50.4 | -176.3 | -52.7 | -61.1 | 0 | 0 | 0 | 113.2 | R98 K153 H241 N270 P271 T275 V276 P279 P308 | R98-F273 HydrophobicContact CG-CE2 4.42Å; R98-F273 HydrophobicContact CG-CZ 4.16Å; K153-F273 HydrophobicContact CB-CD2 3.63Å; K153-F273 HydrophobicContact CB-CE2 4.1Å; H241-F273 HydrophobicContact CB-CD1 3.98Å; H241-F273 HydrophobicContact CB-CE1 4.5Å; N270-F273 WeakPolarHBondContact O-CD1 3.16Å; N270-F273 PolarHBondContact O-N 3.02Å; P271-F273 VanDerWaalsContact C-N 3.35Å; F273-T275 PolarHBondContact O-N 2.98Å; F273-V276 HydrophobicContact CB-CG2 3.91Å; F273-V276 PolarHBondContact O-N 2.84Å; F273-P279 HydrophobicContact CB-CB 4.42Å; F273-P279 HydrophobicContact CD1-CB 4.01Å; F273-P279 HydrophobicContact CD1-CG 4.29Å; F273-P279 HydrophobicContact CD2-CB 4.3Å; F273-P279 HydrophobicContact CD2-CG 3.76Å; F273-P279 HydrophobicContact CE1-CB 4.43Å; F273-P279 HydrophobicContact CE1-CG 4.5Å; F273-P279 HydrophobicContact CE2-CG 3.97Å; F273-P279 HydrophobicContact CG-CB 3.99Å; F273-P279 HydrophobicContact CG-CG 3.98Å; F273-P279 HydrophobicContact CZ-CG 4.35Å; F273-P308 HydrophobicContact CD1-CG 4.24Å; F273-P308 HydrophobicContact CE1-CB 3.73Å; F273-P308 HydrophobicContact CE1-CG 3.54Å; F273-P308 HydrophobicContact CZ-CB 3.82Å; F273-P308 HydrophobicContact CZ-CG 3.74Å | ||
| 274 | P | 96.5 | Very high | 94.4 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.7 | -159 | 25.7 | -37.7 | 0 | 0 | 0 | 116.1 | D272 | D272-P274 VanDerWaalsContact C-N 3.33Š|
| 275 | T | 95.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -2.2 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 114 | H241 Q266 F273 L290 | H241-T275 PolarHBondContact NE2-OG1 3.17Å; Q266-T275 WeakPolarHBondContact CG-OG1 3.41Å; Q266-T275 PolarHBondContact NE2-OG1 2.75Å; F273-T275 PolarHBondContact O-N 2.98Å; T275-L290 HydrophobicContact CG2-CD1 3.79Å |
| 276 | V | 90.7 | Very high | 93.7 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | trans | -140.1 | 135 | -179 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | M240 F273 P279 | M240-V276 HydrophobicContact CE-CB 4.27Å; M240-V276 HydrophobicContact CE-CG1 3.84Å; M240-V276 HydrophobicContact CE-CG2 4.2Å; F273-V276 HydrophobicContact CB-CG2 3.91Å; F273-V276 PolarHBondContact O-N 2.84Å; V276-P279 HydrophobicContact CG2-CB 3.88Å | ||
| 277 | N | 84.8 | Confident | 93.5 | Very high | 151 Ų | 151 | 55.7 Ų | 55.7 | 81% | 0.807 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -72.6 | -39.1 | 176.2 | -68 | -29.7 | 0 | 0 | 0 | 111.6 | ||
| 278 | Y | 85.6 | Confident | 93.4 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -124.6 | 116.7 | 174.3 | -62.5 | -83.2 | 0 | 0 | 0 | 107.4 | P152 N280 | P152-Y278 HydrophobicContact CG-CD1 4.06Å; P152-Y278 HydrophobicContact CG-CE1 3.9Å; Y278-N280 PolarHBondContact O-N 3.44Å |
| 279 | P | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -80.6 | 52.6 | 178 | 37.5 | -38.4 | 0 | 0 | 0 | 110.3 | N151 F273 V276 P308 | N151-P279 WeakPolarHBondContact O-CG 3.41Å; F273-P279 HydrophobicContact CB-CB 4.42Å; F273-P279 HydrophobicContact CD1-CB 4.01Å; F273-P279 HydrophobicContact CD1-CG 4.29Å; F273-P279 HydrophobicContact CD2-CB 4.3Å; F273-P279 HydrophobicContact CD2-CG 3.76Å; F273-P279 HydrophobicContact CE1-CB 4.43Å; F273-P279 HydrophobicContact CE1-CG 4.5Å; F273-P279 HydrophobicContact CE2-CG 3.97Å; F273-P279 HydrophobicContact CG-CB 3.99Å; F273-P279 HydrophobicContact CG-CG 3.98Å; F273-P279 HydrophobicContact CZ-CG 4.35Å; V276-P279 HydrophobicContact CG2-CB 3.88Å; P279-P308 HydrophobicContact CB-CG 3.46Å; P279-P308 VanDerWaalsContact CB-CG 3.46Å; P279-P308 HydrophobicContact CG-CG 3.67Å; P279-P308 WeakPolarHBondContact O-CD 3.33Å | ||
| 280 | N | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | trans | -116.9 | 108.7 | -179.9 | 179 | 19.7 | 0 | 0 | 0 | 109.1 | H150 Y278 E282 E283 A287 | H150-N280 HydrophobicContact CB-CB 3.86Å; Y278-N280 PolarHBondContact O-N 3.44Å; N280-E282 PolarHBondContact O-N 3.39Å; N280-E282 VanDerWaalsContact O-N 3.14Å; N280-E282 VanDerWaalsContact OD1-CB 3.24Å; N280-E282 WeakPolarHBondContact OD1-CB 3.32Å; N280-E282 PolarHBondContact OD1-N 2.93Å; N280-E282 VanDerWaalsContact OD1-N 3.15Å; N280-E283 HydrophobicContact CB-CG 3.88Å; N280-E283 PolarHBondContact ND2-OE1 3.18Å; N280-E283 WeakPolarHBondContact O-CB 3.41Å; N280-E283 WeakPolarHBondContact O-CG 3.48Å; N280-E283 PolarHBondContact O-N 2.82Å; N280-E283 VanDerWaalsContact O-N 3.09Å; N280-A287 VanDerWaalsContact O-CB 3.31Å; N280-A287 WeakPolarHBondContact O-CB 3.44Å | ||
| 281 | P | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -67.1 | -13.3 | -179.8 | 26.4 | -31.4 | 0 | 0 | 0 | 113.2 | M240 E283 G284 A305 D307 A314 I411 | M240-P281 HydrophobicContact SD-CB 3.84Å; M240-P281 HydrophobicContact SD-CG 4.21Å; P281-E283 VanDerWaalsContact C-N 3.26Å; P281-E283 PolarHBondContact O-N 2.86Å; P281-G284 PolarHBondContact O-N 3.21Å; P281-A305 HydrophobicContact CB-CB 3.96Å; P281-D307 HydrophobicContact CG-CB 4.1Å; P281-A314 HydrophobicContact CB-CB 3.7Å; P281-A314 HydrophobicContact CG-CB 4.45Å; P281-I411 HydrophobicContact CB-CD1 4.36Å; P281-I411 HydrophobicContact CG-CD1 3.79Å |
| 282 | E | 91.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -69.5 | -18.4 | 172.1 | -161.5 | -174.5 | 159.1 | 0 | 0 | 113.3 | N280 G284 I411 | N280-E282 PolarHBondContact O-N 3.39Å; N280-E282 VanDerWaalsContact O-N 3.14Å; N280-E282 VanDerWaalsContact OD1-CB 3.24Å; N280-E282 WeakPolarHBondContact OD1-CB 3.32Å; N280-E282 PolarHBondContact OD1-N 2.93Å; N280-E282 VanDerWaalsContact OD1-N 3.15Å; E282-G284 PolarHBondContact O-N 3.48Å; E282-I411 HydrophobicContact CB-CD1 3.86Å; E282-I411 HydrophobicContact CB-CG1 4.25Å; E282-I411 HydrophobicContact CG-CG1 4.46Å |
| 283 | E | 88.9 | Confident | 93.2 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -65.2 | -6.4 | 175.2 | -60.1 | -64.5 | 129.3 | 0 | 0 | 112.7 | N280 P281 S286 A287 | N280-E283 HydrophobicContact CB-CG 3.88Å; N280-E283 PolarHBondContact ND2-OE1 3.18Å; N280-E283 WeakPolarHBondContact O-CB 3.41Å; N280-E283 WeakPolarHBondContact O-CG 3.48Å; N280-E283 PolarHBondContact O-N 2.82Å; N280-E283 VanDerWaalsContact O-N 3.09Å; P281-E283 VanDerWaalsContact C-N 3.26Å; P281-E283 PolarHBondContact O-N 2.86Å; E283-S286 PolarHBondContact O-OG 3.23Å; E283-A287 HydrophobicContact CB-CB 4.26Å |
| 284 | G | 88.3 | Confident | 93.3 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -130 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P281 E282 S286 A287 L288 | P281-G284 PolarHBondContact O-N 3.21Å; E282-G284 PolarHBondContact O-N 3.48Å; G284-S286 VanDerWaalsContact C-N 3.31Å; G284-S286 PolarHBondContact O-N 2.92Å; G284-A287 PolarHBondContact O-N 2.73Å; G284-L288 PolarHBondContact O-N 3.33Å |
| 285 | R | 91.6 | Very high | 93.4 | Very high | 113 Ų | 113 | 50.7 Ų | 50.7 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | -165.7 | -177.6 | 173.8 | -79.9 | -119.2 | 6.8 | 112.7 | A287 L288 N289 I292 I326 | R285-A287 VanDerWaalsContact C-N 3.28Å; R285-A287 PolarHBondContact O-N 3.05Å; R285-L288 PolarHBondContact O-N 2.63Å; R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.16Å; R285-N289 PolarHBondContact O-OD1 3.47Å; R285-I292 HydrophobicContact CG-CD1 4.23Å; R285-I326 VanDerWaalsContact CA-CD1 3.43Å; R285-I326 HydrophobicContact CB-CD1 3.78Å |
| 286 | S | 91.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 52 Ų | 52 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | -179.3 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | E283 G284 L288 | E283-S286 PolarHBondContact O-OG 3.23Å; G284-S286 VanDerWaalsContact C-N 3.31Å; G284-S286 PolarHBondContact O-N 2.92Å; S286-L288 VanDerWaalsContact C-N 3.33Å |
| 287 | A | 92 | Very high | 93.9 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.2 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M240 N280 E283 G284 R285 | M240-A287 HydrophobicContact CE-CB 3.63Å; M240-A287 HydrophobicContact SD-CB 4.44Å; N280-A287 VanDerWaalsContact O-CB 3.31Å; N280-A287 WeakPolarHBondContact O-CB 3.44Å; E283-A287 HydrophobicContact CB-CB 4.26Å; G284-A287 PolarHBondContact O-N 2.73Å; R285-A287 VanDerWaalsContact C-N 3.28Å; R285-A287 PolarHBondContact O-N 3.05Å |
| 288 | L | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -105.4 | 2.1 | -172.2 | -59.8 | -178.2 | 0 | 0 | 0 | 114.4 | G284 R285 S286 L290 G291 I292 A305 A316 I326 | G284-L288 PolarHBondContact O-N 3.33Å; R285-L288 PolarHBondContact O-N 2.63Å; S286-L288 VanDerWaalsContact C-N 3.33Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.27Å; L288-G291 CarbonylContact O-C 3.49Å; L288-G291 WeakPolarHBondContact O-CA 3.44Å; L288-G291 PolarHBondContact O-N 3.22Å; L288-I292 HydrophobicContact CB-CD1 4.26Å; L288-I292 HydrophobicContact CB-CG1 4.45Å; L288-I292 WeakPolarHBondContact O-CG1 3.34Å; L288-I292 PolarHBondContact O-N 3.11Å; L288-A305 HydrophobicContact CD2-CB 3.45Å; L288-A305 VanDerWaalsContact CD2-CB 3.45Å; L288-A316 HydrophobicContact CD1-CB 3.94Å; L288-I326 HydrophobicContact CD1-CD1 4.08Å; L288-I326 HydrophobicContact CD1-CG1 4.13Å; L288-I326 HydrophobicContact CD1-CG2 4.22Å |
| 289 | N | 96 | Very high | 94.9 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.2 | -44.2 | -174.9 | -79.9 | -29 | 0 | 0 | 0 | 114 | R285 I292 K293 | R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.16Å; R285-N289 PolarHBondContact O-OD1 3.47Å; N289-I292 PolarHBondContact O-N 3.47Å; N289-K293 WeakPolarHBondContact O-CB 3.38Å; N289-K293 PolarHBondContact O-N 2.77Å |
| 290 | L | 97.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -38 | 177.5 | -71.8 | 177.4 | 0 | 0 | 0 | 112.4 | V263 E265 Q266 T275 L288 K293 H294 | V263-L290 HydrophobicContact CG1-CB 3.92Å; E265-L290 HydrophobicContact CB-CD1 4.12Å; Q266-L290 HydrophobicContact CG-CD1 3.88Å; T275-L290 HydrophobicContact CG2-CD1 3.79Å; L288-L290 VanDerWaalsContact C-N 3.32Å; L288-L290 PolarHBondContact O-N 3.27Å; L290-K293 PolarHBondContact O-N 3.39Å; L290-H294 WeakPolarHBondContact O-CB 3.5Å; L290-H294 PolarHBondContact O-N 3.45Å |
| 291 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L288 H294 A295 I303 | L288-G291 CarbonylContact O-C 3.49Å; L288-G291 WeakPolarHBondContact O-CA 3.44Å; L288-G291 PolarHBondContact O-N 3.22Å; G291-H294 PolarHBondContact O-N 3.06Å; G291-A295 VanDerWaalsContact O-CB 3.23Å; G291-A295 WeakPolarHBondContact O-CB 3.36Å; G291-A295 PolarHBondContact O-N 2.89Å; G291-I303 VanDerWaalsContact C-CD1 3.47Å |
| 292 | I | 98.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 176.1 | -72.3 | 169.2 | 0 | 0 | 0 | 110.7 | R285 L288 N289 H294 A295 E296 I303 W324 | R285-I292 HydrophobicContact CG-CD1 4.23Å; L288-I292 HydrophobicContact CB-CD1 4.26Å; L288-I292 HydrophobicContact CB-CG1 4.45Å; L288-I292 WeakPolarHBondContact O-CG1 3.34Å; L288-I292 PolarHBondContact O-N 3.11Å; N289-I292 PolarHBondContact O-N 3.47Å; I292-H294 VanDerWaalsContact C-N 3.34Å; I292-H294 PolarHBondContact O-N 2.88Å; I292-A295 PolarHBondContact O-N 3.2Å; I292-E296 WeakPolarHBondContact O-CB 3.44Å; I292-E296 VanDerWaalsContact O-CG 3.31Å; I292-E296 WeakPolarHBondContact O-CG 3.5Å; I292-E296 PolarHBondContact O-N 3.42Å; I292-I303 HydrophobicContact CB-CD1 4.3Å; I292-I303 HydrophobicContact CG1-CD1 3.65Å; I292-W324 HydrophobicContact CD1-CB 4.38Å; I292-W324 HydrophobicContact CD1-CG 4.25Å; I292-W324 HydrophobicContact CG1-CD2 4.08Å; I292-W324 HydrophobicContact CG1-CG 4.12Å; I292-W324 HydrophobicContact CG2-CG 4.41Å |
| 293 | K | 98 | Very high | 95.8 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 59% | 0.591 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 178.6 | -177.4 | -173.7 | 175.9 | -168 | 0 | 111.7 | N289 L290 S297 | N289-K293 WeakPolarHBondContact O-CB 3.38Å; N289-K293 PolarHBondContact O-N 2.77Å; L290-K293 PolarHBondContact O-N 3.39Å; K293-S297 PolarHBondContact O-N 2.91Å; K293-S297 VanDerWaalsContact O-N 3.11Å |
| 294 | H | 98.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 179.3 | -172.3 | 64.8 | 0 | 0 | 0 | 111.4 | V263 L290 G291 I292 E296 S297 I298 | V263-H294 HydrophobicContact CG2-CB 4.29Å; L290-H294 WeakPolarHBondContact O-CB 3.5Å; L290-H294 PolarHBondContact O-N 3.45Å; G291-H294 PolarHBondContact O-N 3.06Å; I292-H294 VanDerWaalsContact C-N 3.34Å; I292-H294 PolarHBondContact O-N 2.88Å; H294-E296 VanDerWaalsContact C-N 3.31Å; H294-E296 PolarHBondContact O-N 2.89Å; H294-S297 WeakPolarHBondContact O-CB 3.39Å; H294-S297 PolarHBondContact O-N 2.77Å; H294-S297 VanDerWaalsContact O-N 3.11Å; H294-I298 WeakPolarHBondContact O-CG1 3.5Å; H294-I298 PolarHBondContact O-N 2.64Å; H294-I298 VanDerWaalsContact O-N 3.11Å |
| 295 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V236 G291 I292 I298 K299 S300 I303 W324 | V236-A295 HydrophobicContact CB-CB 4.28Å; V236-A295 HydrophobicContact CG2-CB 3.76Å; G291-A295 VanDerWaalsContact O-CB 3.23Å; G291-A295 WeakPolarHBondContact O-CB 3.36Å; G291-A295 PolarHBondContact O-N 2.89Å; I292-A295 PolarHBondContact O-N 3.2Å; A295-I298 PolarHBondContact O-N 3.06Å; A295-K299 CarbonylContact O-C 3.49Å; A295-K299 WeakPolarHBondContact O-CA 3.41Å; A295-K299 PolarHBondContact O-N 3.16Å; A295-S300 PolarHBondContact O-N 2.94Å; A295-I303 HydrophobicContact CB-CD1 4.09Å; A295-I303 HydrophobicContact CB-CG1 3.92Å; A295-W324 HydrophobicContact CB-CH2 3.51Å; A295-W324 HydrophobicContact CB-CZ2 3.7Å |
| 296 | E | 97.7 | Very high | 97.1 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -40 | 174.8 | -73 | 177.3 | 171.5 | 0 | 0 | 112.7 | I292 H294 I298 K299 W324 | I292-E296 WeakPolarHBondContact O-CB 3.44Å; I292-E296 VanDerWaalsContact O-CG 3.31Å; I292-E296 WeakPolarHBondContact O-CG 3.5Å; I292-E296 PolarHBondContact O-N 3.42Å; H294-E296 VanDerWaalsContact C-N 3.31Å; H294-E296 PolarHBondContact O-N 2.89Å; E296-I298 VanDerWaalsContact C-N 3.32Å; E296-I298 PolarHBondContact O-N 3.48Å; E296-K299 PolarHBondContact O-N 3.48Å; E296-W324 HydrophobicContact CG-CZ2 4.24Å; E296-W324 PolarHBondContact OE1-NE1 2.57Å |
| 297 | S | 97.7 | Very high | 97.4 | Very high | 99 Ų | 99 | 38.7 Ų | 38.7 | 69% | 0.692 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.6 | -39 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | K293 H294 | K293-S297 PolarHBondContact O-N 2.91Å; K293-S297 VanDerWaalsContact O-N 3.11Å; H294-S297 WeakPolarHBondContact O-CB 3.39Å; H294-S297 PolarHBondContact O-N 2.77Å; H294-S297 VanDerWaalsContact O-N 3.11Å |
| 298 | I | 96.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 30% | 0.303 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -99.7 | 2.8 | -177.6 | 72.5 | 178 | 0 | 0 | 0 | 113.2 | V236 E261 H294 A295 E296 S300 | V236-I298 HydrophobicContact CG2-CD1 3.65Å; V236-I298 HydrophobicContact CG2-CG1 4.36Å; E261-I298 HydrophobicContact CB-CD1 3.55Å; E261-I298 HydrophobicContact CG-CD1 3.57Å; H294-I298 WeakPolarHBondContact O-CG1 3.5Å; H294-I298 PolarHBondContact O-N 2.64Å; H294-I298 VanDerWaalsContact O-N 3.11Å; A295-I298 PolarHBondContact O-N 3.06Å; E296-I298 VanDerWaalsContact C-N 3.32Å; E296-I298 PolarHBondContact O-N 3.48Å; I298-S300 PolarHBondContact O-N 3.23Å |
| 299 | K | 95.9 | Very high | 97.8 | Very high | 189 Ų | 189 | 38.6 Ų | 38.6 | 82% | 0.822 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30.4 | -176 | -52.6 | 176.6 | -178.9 | 176.3 | 0 | 113.9 | A295 E296 | A295-K299 CarbonylContact O-C 3.49Å; A295-K299 WeakPolarHBondContact O-CA 3.41Å; A295-K299 PolarHBondContact O-N 3.16Å; E296-K299 PolarHBondContact O-N 3.48Å |
| 300 | S | 97.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -73.7 | 146.2 | 166.3 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | S234 A295 I298 I302 | S234-S300 PolarHBondContact O-OG 3.07Å; A295-S300 PolarHBondContact O-N 2.94Å; I298-S300 PolarHBondContact O-N 3.23Å; S300-I302 PolarHBondContact OG-N 3.03Å; S300-I302 PolarHBondContact OG-O 2.89Å; S300-I302 VanDerWaalsContact OG-O 3.14Å | ||
| 301 | T | 97.3 | Very high | 98 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | trans | -107.9 | -1.3 | 179.2 | 58 | 0 | 0 | 0 | 0 | 113.1 | E317 K318 | T301-E317 CarbonylContact O-C 3.6Å; T301-E317 WeakPolarHBondContact O-CA 3.33Å; T301-K318 HydrophobicContact CG2-CB 4.35Å; T301-K318 PolarHBondContact O-N 3.03Å | ||
| 302 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.2 | -174.3 | -61.6 | -71.9 | 0 | 0 | 0 | 110.1 | T233 F235 V236 S300 F304 A316 E317 T435 L445 | T233-I302 HydrophobicContact CG2-CG1 4.03Å; F235-I302 HydrophobicContact CD1-CB 3.78Å; F235-I302 HydrophobicContact CD1-CG1 4.32Å; F235-I302 HydrophobicContact CD1-CG2 3.61Å; F235-I302 HydrophobicContact CE1-CB 4.26Å; F235-I302 HydrophobicContact CE1-CG1 4.3Å; F235-I302 HydrophobicContact CE1-CG2 4.1Å; V236-I302 PolarHBondContact N-O 3.35Å; S300-I302 PolarHBondContact OG-N 3.03Å; S300-I302 PolarHBondContact OG-O 2.89Å; S300-I302 VanDerWaalsContact OG-O 3.14Å; I302-F304 HydrophobicContact CG2-CD1 4.23Å; I302-F304 HydrophobicContact CG2-CE1 3.69Å; I302-F304 HydrophobicContact CG2-CE2 4.18Å; I302-F304 HydrophobicContact CG2-CZ 3.66Å; I302-A316 WeakPolarHBondContact CA-O 3.45Å; I302-E317 HydrophobicContact CD1-CB 3.71Å; I302-E317 HydrophobicContact CD1-CG 3.59Å; I302-T435 HydrophobicContact CD1-CG2 3.75Å; I302-T435 HydrophobicContact CG1-CG2 3.84Å; I302-L445 HydrophobicContact CD1-CD1 4.1Å |
| 303 | I | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.2 | 174.2 | -60.5 | 159.1 | 0 | 0 | 0 | 108.6 | V236 G291 I292 A295 V315 A316 W324 | V236-I303 HydrophobicContact CB-CG1 4.12Å; V236-I303 HydrophobicContact CG1-CG1 4.27Å; V236-I303 HydrophobicContact CG1-CG2 4.45Å; V236-I303 CarbonylContact O-C 3.51Å; V236-I303 WeakPolarHBondContact O-CA 3.2Å; G291-I303 VanDerWaalsContact C-CD1 3.47Å; I292-I303 HydrophobicContact CB-CD1 4.3Å; I292-I303 HydrophobicContact CG1-CD1 3.65Å; A295-I303 HydrophobicContact CB-CD1 4.09Å; A295-I303 HydrophobicContact CB-CG1 3.92Å; I303-V315 WeakPolarHBondContact O-CA 3.39Å; I303-A316 HydrophobicContact CB-CB 4.35Å; I303-A316 HydrophobicContact CD1-CB 4.47Å; I303-A316 PolarHBondContact N-O 3.1Å; I303-A316 PolarHBondContact O-N 2.89Å; I303-W324 HydrophobicContact CD1-CD2 4.42Å; I303-W324 HydrophobicContact CD1-CE3 3.84Å; I303-W324 HydrophobicContact CD1-CH2 3.59Å; I303-W324 HydrophobicContact CD1-CZ2 4.18Å; I303-W324 HydrophobicContact CD1-CZ3 3.4Å; I303-W324 VanDerWaalsContact CD1-CZ3 3.4Å; I303-W324 HydrophobicContact CG1-CH2 3.9Å; I303-W324 HydrophobicContact CG1-CZ3 3.76Å |
| 304 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.7 | 165.8 | -60.1 | -45.2 | 0 | 0 | 0 | 109.9 | F235 V236 Y237 T238 I302 L313 V315 L428 M431 A432 | F235-F304 HydrophobicContact CB-CD2 4.13Å; F235-F304 HydrophobicContact CB-CE2 3.89Å; F235-F304 AromaticContact CD1-CE2 3.66Å; F235-F304 HydrophobicContact CD1-CE2 3.66Å; F235-F304 AromaticContact CD1-CZ 3.96Å; F235-F304 HydrophobicContact CD1-CZ 3.96Å; F235-F304 HydrophobicContact CD2-CE2 4.3Å; F235-F304 HydrophobicContact CE1-CE2 4.24Å; F235-F304 HydrophobicContact CE1-CZ 4.2Å; F235-F304 HydrophobicContact CG-CD2 4.44Å; F235-F304 AromaticContact CG-CE2 3.7Å; F235-F304 HydrophobicContact CG-CE2 3.7Å; F235-F304 HydrophobicContact CG-CZ 4.44Å; V236-F304 PolarHBondContact O-N 2.79Å; Y237-F304 WeakPolarHBondContact CA-O 3.16Å; Y237-F304 HydrophobicContact CD2-CB 4.27Å; T238-F304 PolarHBondContact N-O 2.88Å; I302-F304 HydrophobicContact CG2-CD1 4.23Å; I302-F304 HydrophobicContact CG2-CE1 3.69Å; I302-F304 HydrophobicContact CG2-CE2 4.18Å; I302-F304 HydrophobicContact CG2-CZ 3.66Å; F304-L313 HydrophobicContact CB-CD1 4.19Å; F304-L313 HydrophobicContact CD1-CD1 4.46Å; F304-V315 HydrophobicContact CD1-CB 4.45Å; F304-V315 HydrophobicContact CD1-CG1 4.03Å; F304-V315 HydrophobicContact CD1-CG2 4Å; F304-V315 HydrophobicContact CE1-CG1 3.82Å; F304-V315 HydrophobicContact CE1-CG2 4.15Å; F304-L428 HydrophobicContact CB-CD1 3.66Å; F304-L428 HydrophobicContact CB-CG 4.04Å; F304-L428 HydrophobicContact CD2-CD1 4.23Å; F304-L428 HydrophobicContact CD2-CD2 4.01Å; F304-L428 HydrophobicContact CD2-CG 3.86Å; F304-L428 HydrophobicContact CE2-CD2 4.43Å; F304-L428 HydrophobicContact CG-CD1 4.14Å; F304-L428 HydrophobicContact CG-CG 3.96Å; F304-M431 HydrophobicContact CD1-CG 4.5Å; F304-M431 HydrophobicContact CE1-CB 4.2Å; F304-M431 HydrophobicContact CE1-CG 3.62Å; F304-M431 HydrophobicContact CZ-CB 4.48Å; F304-M431 HydrophobicContact CZ-CG 4.18Å; F304-A432 HydrophobicContact CE2-CB 4.04Å; F304-A432 HydrophobicContact CZ-CB 4.28Å |
| 305 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T238 P281 L288 L313 A314 | T238-A305 HydrophobicContact CG2-CB 3.72Å; T238-A305 VanDerWaalsContact O-CA 3.29Å; T238-A305 WeakPolarHBondContact O-CA 3.25Å; P281-A305 HydrophobicContact CB-CB 3.96Å; L288-A305 HydrophobicContact CD2-CB 3.45Å; L288-A305 VanDerWaalsContact CD2-CB 3.45Å; A305-L313 WeakPolarHBondContact O-CA 3.48Å; A305-A314 HydrophobicContact CB-CB 4.43Å; A305-A314 PolarHBondContact N-O 2.58Å; A305-A314 PolarHBondContact O-N 2.62Å |
| 306 | N | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 152.4 | 167 | -72 | 139.1 | 0 | 0 | 0 | 109.8 | Y237 T238 P239 A310 R312 G424 | Y237-N306 WeakPolarHBondContact CE2-OD1 3.5Å; Y237-N306 PolarHBondContact OH-OD1 3.46Å; Y237-N306 VanDerWaalsContact OH-OD1 3.11Å; T238-N306 PolarHBondContact O-N 3.4Å; P239-N306 CarbonylContact C-O 3.47Å; N306-A310 HydrophobicContact CB-CB 3.87Å; N306-R312 WeakPolarHBondContact CA-O 3.18Å; N306-R312 PolarHBondContact ND2-O 3.31Å; N306-G424 PolarHBondContact ND2-O 3.23Å |
| 307 | D | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -75 | 170.8 | 164.3 | 68 | -29.2 | 0 | 0 | 0 | 110.7 | S149 H150 P281 D309 A310 D311 R312 | S149-D307 PolarHBondContact OG-OD2 2.81Å; H150-D307 HydrophobicContact CB-CB 4.09Å; P281-D307 HydrophobicContact CG-CB 4.1Å; D307-D309 VanDerWaalsContact C-N 3.26Å; D307-D309 PolarHBondContact O-N 3.49Å; D307-D309 VanDerWaalsContact O-N 3.09Å; D307-A310 WeakPolarHBondContact O-CA 3.29Å; D307-A310 PolarHBondContact O-N 2.94Å; D307-A310 PolarHBondContact OD1-N 3.44Å; D307-D311 PolarHBondContact OD1-N 3.31Å; D307-D311 VanDerWaalsContact OD1-N 3.1Å; D307-R312 HydrophobicContact CB-CB 4.34Å; D307-R312 WeakPolarHBondContact OD1-CB 3.31Å; D307-R312 PolarHBondContact OD1-N 2.61Å; D307-R312 IonicContact OD2-CZ 3.71Å; D307-R312 IonicContact OD2-NH1 2.71Å; D307-R312 PolarHBondContact OD2-NH1 3.24Å | ||
| 308 | P | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.6 | -169.4 | -34.9 | 38 | 0 | 0 | 0 | 116.5 | G242 V243 F273 P279 | G242-P308 CarbonylContact C-O 3.53Å; G242-P308 WeakPolarHBondContact CA-O 3.47Å; V243-P308 WeakPolarHBondContact CG2-O 3.44Å; V243-P308 PolarHBondContact N-O 2.68Å; F273-P308 HydrophobicContact CD1-CG 4.24Å; F273-P308 HydrophobicContact CE1-CB 3.73Å; F273-P308 HydrophobicContact CE1-CG 3.54Å; F273-P308 HydrophobicContact CZ-CB 3.82Å; F273-P308 HydrophobicContact CZ-CG 3.74Å; P279-P308 HydrophobicContact CB-CG 3.46Å; P279-P308 VanDerWaalsContact CB-CG 3.46Å; P279-P308 HydrophobicContact CG-CG 3.67Å; P279-P308 WeakPolarHBondContact O-CD 3.33Å |
| 309 | D | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.1 | 177.3 | 76.5 | -31.8 | 0 | 0 | 0 | 113.8 | D96 P127 T128 T147 S149 K159 D307 D311 | D96-D309 HydrophobicContact CB-CB 4.33Å; P127-D309 WeakPolarHBondContact CA-O 3.35Å; T128-D309 WeakPolarHBondContact CB-OD2 3.44Å; T128-D309 PolarHBondContact N-O 2.96Å; T128-D309 VanDerWaalsContact OG1-CB 3.29Å; T128-D309 WeakPolarHBondContact OG1-CB 3.38Å; T128-D309 VanDerWaalsContact OG1-CG 3.24Å; T128-D309 PolarHBondContact OG1-OD2 3.16Å; T147-D309 HydrophobicContact CG2-CB 4.43Å; T147-D309 WeakPolarHBondContact OG1-CB 3.35Å; S149-D309 VanDerWaalsContact CA-CG 3.45Å; S149-D309 VanDerWaalsContact CA-OD1 3.24Å; S149-D309 WeakPolarHBondContact CA-OD1 3.39Å; S149-D309 VanDerWaalsContact CB-OD1 3.3Å; S149-D309 WeakPolarHBondContact CB-OD1 3.44Å; S149-D309 WeakPolarHBondContact CB-OD2 3.33Å; S149-D309 PolarHBondContact OG-OD1 3.5Å; S149-D309 VanDerWaalsContact OG-OD1 3.13Å; K159-D309 IonicContact NZ-OD2 2.99Å; K159-D309 PolarHBondContact NZ-OD2 3.38Å; D307-D309 VanDerWaalsContact C-N 3.26Å; D307-D309 PolarHBondContact O-N 3.49Å; D307-D309 VanDerWaalsContact O-N 3.09Å; D309-D311 VanDerWaalsContact C-N 3.29Å; D309-D311 PolarHBondContact O-N 2.84Å |
| 310 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 54.9 | 36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P127 N306 D307 G424 V425 | P127-A310 HydrophobicContact CB-CB 4.01Å; P127-A310 HydrophobicContact CG-CB 4.06Å; N306-A310 HydrophobicContact CB-CB 3.87Å; D307-A310 WeakPolarHBondContact O-CA 3.29Å; D307-A310 PolarHBondContact O-N 2.94Å; D307-A310 PolarHBondContact OD1-N 3.44Å; A310-G424 PolarHBondContact O-N 2.8Å; A310-V425 HydrophobicContact CB-CG2 4.23Å |
| 311 | D | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -96.2 | -11.7 | 175.3 | 80.5 | 7.2 | 0 | 0 | 0 | 112.3 | T128 S149 K159 D307 D309 K422 G424 | T128-D311 HydrophobicContact CG2-CB 4.46Å; S149-D311 PolarHBondContact OG-OD1 3.3Å; K159-D311 IonicContact NZ-OD2 2.74Å; K159-D311 PolarHBondContact NZ-OD2 3.05Å; D307-D311 PolarHBondContact OD1-N 3.31Å; D307-D311 VanDerWaalsContact OD1-N 3.1Å; D309-D311 VanDerWaalsContact C-N 3.29Å; D309-D311 PolarHBondContact O-N 2.84Å; D311-K422 HydrophobicContact CB-CD 4.46Å; D311-K422 HydrophobicContact CB-CG 3.92Å; D311-K422 VanDerWaalsContact CG-NZ 3.29Å; D311-K422 CarbonylContact O-C 3.18Å; D311-K422 VanDerWaalsContact O-CB 3.27Å; D311-K422 WeakPolarHBondContact O-CB 3.26Å; D311-K422 VanDerWaalsContact O-CG 3.27Å; D311-K422 WeakPolarHBondContact O-CG 3.48Å; D311-K422 WeakPolarHBondContact OD1-CE 3.28Å; D311-K422 IonicContact OD1-NZ 2.67Å; D311-K422 WeakPolarHBondContact OD2-CE 3.47Å; D311-K422 IonicContact OD2-NZ 2.94Å; D311-K422 PolarHBondContact OD2-NZ 3.2Å; D311-G424 PolarHBondContact O-N 3.02Å | ||
| 312 | R | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 9% | 0.094 | 11% | 0.106 | C | C | . | . | trans | -113 | 160 | 172.3 | -66.2 | -179.5 | 171.9 | 103.9 | -16.3 | 114 | S149 H150 N306 D307 A410 I411 | S149-R312 PolarHBondContact OG-NH1 3.04Å; H150-R312 VanDerWaalsContact CB-NH1 3.35Å; H150-R312 PolarHBondContact CD2-NH2 3.25Å; H150-R312 PolarHBondContact CE1-NH2 3.25Å; H150-R312 PolarHBondContact ND1-NH1 3.5Å; H150-R312 PolarHBondContact ND1-NH2 3.09Å; H150-R312 PolarHBondContact NE2-NH2 2.88Å; N306-R312 WeakPolarHBondContact CA-O 3.18Å; N306-R312 PolarHBondContact ND2-O 3.31Å; D307-R312 HydrophobicContact CB-CB 4.34Å; D307-R312 WeakPolarHBondContact OD1-CB 3.31Å; D307-R312 PolarHBondContact OD1-N 2.61Å; D307-R312 IonicContact OD2-CZ 3.71Å; D307-R312 IonicContact OD2-NH1 2.71Å; D307-R312 PolarHBondContact OD2-NH1 3.24Å; R312-A410 PolarHBondContact NE-O 3.4Å; R312-I411 WeakPolarHBondContact CA-O 3.46Å; R312-I411 HydrophobicContact CB-CD1 3.94Å; R312-I411 HydrophobicContact CB-CG1 3.98Å; R312-I411 HydrophobicContact CG-CD1 4.45Å; R312-I411 HydrophobicContact CG-CG1 4.12Å | ||
| 313 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.6 | 173.3 | 175.3 | 68 | 0 | 0 | 0 | 112 | F304 A305 V315 F336 I411 F413 A427 L428 M431 | F304-L313 HydrophobicContact CB-CD1 4.19Å; F304-L313 HydrophobicContact CD1-CD1 4.46Å; A305-L313 WeakPolarHBondContact O-CA 3.48Å; L313-V315 HydrophobicContact CD2-CG2 4.38Å; L313-V315 HydrophobicContact CG-CG2 4.26Å; L313-F336 HydrophobicContact CD2-CE2 4.46Å; L313-F336 HydrophobicContact CD2-CZ 3.98Å; L313-I411 PolarHBondContact N-O 3.05Å; L313-I411 VanDerWaalsContact N-O 3.09Å; L313-I411 WeakPolarHBondContact O-CB 3.31Å; L313-F413 HydrophobicContact CB-CD2 4.18Å; L313-F413 HydrophobicContact CB-CE2 4.33Å; L313-F413 WeakPolarHBondContact O-CE2 3.37Å; L313-A427 HydrophobicContact CB-CB 4.46Å; L313-A427 HydrophobicContact CD2-CB 3.84Å; L313-L428 HydrophobicContact CD1-CB 4.01Å; L313-L428 HydrophobicContact CD1-CD1 4.22Å; L313-L428 HydrophobicContact CD1-CG 4.26Å; L313-L428 HydrophobicContact CD2-CB 4.27Å; L313-M431 HydrophobicContact CD2-CB 4.22Å |
| 314 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 152.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P281 A305 I411 | P281-A314 HydrophobicContact CB-CB 3.7Å; P281-A314 HydrophobicContact CG-CB 4.45Å; A305-A314 HydrophobicContact CB-CB 4.43Å; A305-A314 PolarHBondContact N-O 2.58Å; A305-A314 PolarHBondContact O-N 2.62Å; A314-I411 HydrophobicContact CB-CD1 4.29Å |
| 315 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.5 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | I303 F304 L313 F327 L332 M431 L445 | I303-V315 WeakPolarHBondContact O-CA 3.39Å; F304-V315 HydrophobicContact CD1-CB 4.45Å; F304-V315 HydrophobicContact CD1-CG1 4.03Å; F304-V315 HydrophobicContact CD1-CG2 4Å; F304-V315 HydrophobicContact CE1-CG1 3.82Å; F304-V315 HydrophobicContact CE1-CG2 4.15Å; L313-V315 HydrophobicContact CD2-CG2 4.38Å; L313-V315 HydrophobicContact CG-CG2 4.26Å; V315-F327 HydrophobicContact CB-CD2 4.27Å; V315-F327 HydrophobicContact CG1-CD2 4.28Å; V315-F327 PolarHBondContact O-N 2.92Å; V315-F327 VanDerWaalsContact O-N 3.09Å; V315-L332 HydrophobicContact CB-CD1 4.4Å; V315-L332 HydrophobicContact CB-CD2 3.87Å; V315-L332 HydrophobicContact CG2-CD1 3.93Å; V315-L332 HydrophobicContact CG2-CD2 3.59Å; V315-L332 HydrophobicContact CG2-CG 4.43Å; V315-M431 HydrophobicContact CG2-CG 3.85Å; V315-L445 HydrophobicContact CG1-CD1 4.31Å |
| 316 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L288 I302 I303 W324 K325 I326 | L288-A316 HydrophobicContact CD1-CB 3.94Å; I302-A316 WeakPolarHBondContact CA-O 3.45Å; I303-A316 HydrophobicContact CB-CB 4.35Å; I303-A316 HydrophobicContact CD1-CB 4.47Å; I303-A316 PolarHBondContact N-O 3.1Å; I303-A316 PolarHBondContact O-N 2.89Å; A316-W324 HydrophobicContact CB-CE3 4.07Å; A316-K325 CarbonylContact C-O 3.56Å; A316-K325 VanDerWaalsContact CA-O 3.23Å; A316-K325 WeakPolarHBondContact CA-O 3.16Å; A316-I326 HydrophobicContact CB-CG1 4.03Å |
| 317 | E | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.3 | 179.4 | 179.6 | -173.1 | -122.2 | 0 | 0 | 111.1 | T301 I302 Q319 K325 F327 H439 L444 L445 S446 | T301-E317 CarbonylContact O-C 3.6Å; T301-E317 WeakPolarHBondContact O-CA 3.33Å; I302-E317 HydrophobicContact CD1-CB 3.71Å; I302-E317 HydrophobicContact CD1-CG 3.59Å; E317-Q319 PolarHBondContact O-N 2.82Å; E317-Q319 PolarHBondContact O-NE2 2.65Å; E317-Q319 PolarHBondContact OE2-NE2 3.28Å; E317-K325 PolarHBondContact N-O 3.43Å; E317-K325 PolarHBondContact O-N 2.85Å; E317-F327 HydrophobicContact CB-CE2 3.65Å; E317-F327 HydrophobicContact CB-CZ 4.16Å; E317-H439 IonicContact OE1-NE2 2.6Å; E317-H439 PolarHBondContact OE1-NE2 2.95Å; E317-L444 HydrophobicContact CG-CD2 4.45Å; E317-L444 WeakPolarHBondContact OE1-CA 3.43Å; E317-L444 WeakPolarHBondContact OE2-CB 3.43Å; E317-L445 PolarHBondContact OE1-N 2.96Å; E317-L445 PolarHBondContact OE2-N 2.81Å; E317-S446 PolarHBondContact OE2-N 3.43Å |
| 318 | K | 98.2 | Very high | 97.8 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.2 | 172.3 | -166.2 | 170.6 | -171.1 | 165 | 0 | 110.1 | T301 G322 W324 | T301-K318 HydrophobicContact CG2-CB 4.35Å; T301-K318 PolarHBondContact O-N 3.03Å; K318-G322 WeakPolarHBondContact CE-O 3.28Å; K318-W324 HydrophobicContact CB-CD2 4.12Å; K318-W324 HydrophobicContact CB-CE3 4.14Å; K318-W324 HydrophobicContact CB-CH2 3.98Å; K318-W324 HydrophobicContact CB-CZ2 3.97Å; K318-W324 HydrophobicContact CB-CZ3 4.06Å; K318-W324 HydrophobicContact CD-CZ2 4.14Å; K318-W324 HydrophobicContact CG-CZ2 4.39Å |
| 319 | Q | 98.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 33.5 Ų | 33.5 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | trans | -81.9 | 164.7 | -177.6 | -55.9 | -58.9 | -67.1 | 0 | 0 | 111.7 | E317 S321 G322 Q323 K325 S446 | E317-Q319 PolarHBondContact O-N 2.82Å; E317-Q319 PolarHBondContact O-NE2 2.65Å; E317-Q319 PolarHBondContact OE2-NE2 3.28Å; Q319-S321 PolarHBondContact O-N 2.93Å; Q319-S321 VanDerWaalsContact O-N 3.14Å; Q319-G322 WeakPolarHBondContact O-CA 3.47Å; Q319-G322 PolarHBondContact O-N 3.49Å; Q319-Q323 VanDerWaalsContact CB-O 3.31Å; Q319-Q323 WeakPolarHBondContact CB-O 3.29Å; Q319-Q323 WeakPolarHBondContact CG-O 3.18Å; Q319-Q323 PolarHBondContact N-O 3.29Å; Q319-K325 HydrophobicContact CG-CB 3.64Å; Q319-S446 VanDerWaalsContact OE1-CB 3.28Å; Q319-S446 PolarHBondContact OE1-OG 3.15Å | ||
| 320 | K | 95.9 | Very high | 97.7 | Very high | 155 Ų | 155 | 33.9 Ų | 33.9 | 67% | 0.674 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.9 | 175.7 | -70 | 173.9 | -176.5 | 169.9 | 0 | 113.2 | G322 L444 E447 | K320-G322 PolarHBondContact O-N 2.72Å; K320-L444 HydrophobicContact CG-CD1 3.97Å; K320-E447 VanDerWaalsContact NZ-CD 3.34Å; K320-E447 IonicContact NZ-OE1 2.82Å; K320-E447 PolarHBondContact NZ-OE1 3.39Å; K320-E447 IonicContact NZ-OE2 2.85Å; K320-E447 PolarHBondContact NZ-OE2 3.17Å |
| 321 | S | 96.2 | Very high | 97.7 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 63% | 0.629 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.2 | 174.3 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | Q319 Q323 | Q319-S321 PolarHBondContact O-N 2.93Å; Q319-S321 VanDerWaalsContact O-N 3.14Å; S321-Q323 VanDerWaalsContact C-N 3.25Å; S321-Q323 PolarHBondContact O-N 2.63Å; S321-Q323 PolarHBondContact OG-N 3.13Å |
| 322 | G | 95.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 84.5 | -10.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K318 Q319 K320 | K318-G322 WeakPolarHBondContact CE-O 3.28Å; Q319-G322 WeakPolarHBondContact O-CA 3.47Å; Q319-G322 PolarHBondContact O-N 3.49Å; K320-G322 PolarHBondContact O-N 2.72Å |
| 323 | Q | 96.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 34.2 Ų | 34.2 | 54% | 0.542 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -78.9 | 151.1 | 176.6 | -63.3 | -60 | -35.8 | 0 | 0 | 111.9 | Q319 S321 | Q319-Q323 VanDerWaalsContact CB-O 3.31Å; Q319-Q323 WeakPolarHBondContact CB-O 3.29Å; Q319-Q323 WeakPolarHBondContact CG-O 3.18Å; Q319-Q323 PolarHBondContact N-O 3.29Å; S321-Q323 VanDerWaalsContact C-N 3.25Å; S321-Q323 PolarHBondContact O-N 2.63Å; S321-Q323 PolarHBondContact OG-N 3.13Å |
| 324 | W | 97.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.6 | 173.4 | -73 | 89.5 | 0 | 0 | 0 | 110.8 | I292 A295 E296 I303 A316 K318 | I292-W324 HydrophobicContact CD1-CB 4.38Å; I292-W324 HydrophobicContact CD1-CG 4.25Å; I292-W324 HydrophobicContact CG1-CD2 4.08Å; I292-W324 HydrophobicContact CG1-CG 4.12Å; I292-W324 HydrophobicContact CG2-CG 4.41Å; A295-W324 HydrophobicContact CB-CH2 3.51Å; A295-W324 HydrophobicContact CB-CZ2 3.7Å; E296-W324 HydrophobicContact CG-CZ2 4.24Å; E296-W324 PolarHBondContact OE1-NE1 2.57Å; I303-W324 HydrophobicContact CD1-CD2 4.42Å; I303-W324 HydrophobicContact CD1-CE3 3.84Å; I303-W324 HydrophobicContact CD1-CH2 3.59Å; I303-W324 HydrophobicContact CD1-CZ2 4.18Å; I303-W324 HydrophobicContact CD1-CZ3 3.4Å; I303-W324 VanDerWaalsContact CD1-CZ3 3.4Å; I303-W324 HydrophobicContact CG1-CH2 3.9Å; I303-W324 HydrophobicContact CG1-CZ3 3.76Å; A316-W324 HydrophobicContact CB-CE3 4.07Å; K318-W324 HydrophobicContact CB-CD2 4.12Å; K318-W324 HydrophobicContact CB-CE3 4.14Å; K318-W324 HydrophobicContact CB-CH2 3.98Å; K318-W324 HydrophobicContact CB-CZ2 3.97Å; K318-W324 HydrophobicContact CB-CZ3 4.06Å; K318-W324 HydrophobicContact CD-CZ2 4.14Å; K318-W324 HydrophobicContact CG-CZ2 4.39Å |
| 325 | K | 97.7 | Very high | 97.8 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121 | 167.1 | 174.2 | 60.4 | 174.3 | 132.2 | 0 | 108 | A316 E317 Q319 F327 E331 | A316-K325 CarbonylContact C-O 3.56Å; A316-K325 VanDerWaalsContact CA-O 3.23Å; A316-K325 WeakPolarHBondContact CA-O 3.16Å; E317-K325 PolarHBondContact N-O 3.43Å; E317-K325 PolarHBondContact O-N 2.85Å; Q319-K325 HydrophobicContact CG-CB 3.64Å; K325-F327 HydrophobicContact CG-CD1 4.34Å; K325-F327 HydrophobicContact CG-CE1 4.05Å; K325-F327 HydrophobicContact CG-CE2 4.25Å; K325-F327 HydrophobicContact CG-CZ 3.98Å; K325-E331 WeakPolarHBondContact CE-OE1 3.07Å; K325-E331 IonicContact NZ-OE1 2.69Å; K325-E331 PolarHBondContact NZ-OE1 2.82Å; K325-E331 IonicContact NZ-OE2 2.66Å; K325-E331 PolarHBondContact NZ-OE2 2.95Å |
| 326 | I | 97.8 | Very high | 97.8 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 21% | 0.205 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.6 | 168.7 | -57.3 | 172 | 0 | 0 | 0 | 106.1 | R285 L288 A316 | R285-I326 VanDerWaalsContact CA-CD1 3.43Å; R285-I326 HydrophobicContact CB-CD1 3.78Å; L288-I326 HydrophobicContact CD1-CD1 4.08Å; L288-I326 HydrophobicContact CD1-CG1 4.13Å; L288-I326 HydrophobicContact CD1-CG2 4.22Å; A316-I326 HydrophobicContact CB-CG1 4.03Å |
| 327 | F | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -82.6 | 131.1 | -179.6 | -63.7 | -88.3 | 0 | 0 | 0 | 109.5 | V315 E317 K325 E331 L332 L335 L445 | V315-F327 HydrophobicContact CB-CD2 4.27Å; V315-F327 HydrophobicContact CG1-CD2 4.28Å; V315-F327 PolarHBondContact O-N 2.92Å; V315-F327 VanDerWaalsContact O-N 3.09Å; E317-F327 HydrophobicContact CB-CE2 3.65Å; E317-F327 HydrophobicContact CB-CZ 4.16Å; K325-F327 HydrophobicContact CG-CD1 4.34Å; K325-F327 HydrophobicContact CG-CE1 4.05Å; K325-F327 HydrophobicContact CG-CE2 4.25Å; K325-F327 HydrophobicContact CG-CZ 3.98Å; F327-E331 WeakPolarHBondContact CA-OE2 3.15Å; F327-E331 HydrophobicContact CB-CB 4.32Å; F327-E331 HydrophobicContact CD1-CB 4.16Å; F327-L332 HydrophobicContact CB-CD1 4.44Å; F327-L332 HydrophobicContact CB-CD2 3.73Å; F327-L332 HydrophobicContact CB-CG 3.79Å; F327-L332 HydrophobicContact CG-CD2 4.25Å; F327-L335 HydrophobicContact CD1-CD1 4.38Å; F327-L335 HydrophobicContact CE1-CD1 4.47Å; F327-L445 HydrophobicContact CE1-CB 4.16Å; F327-L445 HydrophobicContact CE2-CB 4.18Å; F327-L445 HydrophobicContact CE2-CD1 4.16Å; F327-L445 HydrophobicContact CZ-CB 3.56Å; F327-L445 HydrophobicContact CZ-CD1 4.38Å |
| 328 | S | 96.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 160.8 | 168.3 | 65.1 | 0 | 0 | 0 | 0 | 110.5 | N330 E331 L332 | S328-N330 PolarHBondContact O-N 2.93Å; S328-E331 PolarHBondContact N-OE2 3.38Å; S328-E331 PolarHBondContact O-N 2.85Å; S328-E331 VanDerWaalsContact O-N 3.12Å; S328-E331 VanDerWaalsContact OG-CG 3.28Å; S328-E331 WeakPolarHBondContact OG-CG 3.36Å; S328-E331 PolarHBondContact OG-N 2.84Å; S328-E331 PolarHBondContact OG-OE2 3.38Å; S328-E331 VanDerWaalsContact OG-OE2 3.08Å; S328-L332 WeakPolarHBondContact O-CG 3.06Å; S328-L332 PolarHBondContact O-N 2.86Å |
| 329 | G | 97.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G333 E409 | G329-G333 PolarHBondContact O-N 3.01Å; G329-E409 WeakPolarHBondContact CA-O 3.34Å; G329-E409 PolarHBondContact N-O 2.9Å |
| 330 | N | 97.9 | Very high | 97.8 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -43.5 | 171.1 | -75.9 | -26.2 | 0 | 0 | 0 | 112.4 | S328 L332 G333 A334 S365 E409 S461 | S328-N330 PolarHBondContact O-N 2.93Å; N330-L332 VanDerWaalsContact C-N 3.35Å; N330-G333 PolarHBondContact O-N 2.83Å; N330-A334 PolarHBondContact O-N 3.1Å; N330-S365 VanDerWaalsContact OD1-CB 3.22Å; N330-S365 WeakPolarHBondContact OD1-CB 3.43Å; N330-S365 PolarHBondContact OD1-N 2.91Å; N330-E409 WeakPolarHBondContact OD1-CB 3.43Å; N330-S461 PolarHBondContact ND2-OG 2.82Å |
| 331 | E | 98.2 | Very high | 97.9 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 176.3 | -66.2 | 170.4 | 125.7 | 0 | 0 | 111.2 | K325 F327 S328 A334 L335 L449 | K325-E331 WeakPolarHBondContact CE-OE1 3.07Å; K325-E331 IonicContact NZ-OE1 2.69Å; K325-E331 PolarHBondContact NZ-OE1 2.82Å; K325-E331 IonicContact NZ-OE2 2.66Å; K325-E331 PolarHBondContact NZ-OE2 2.95Å; F327-E331 WeakPolarHBondContact CA-OE2 3.15Å; F327-E331 HydrophobicContact CB-CB 4.32Å; F327-E331 HydrophobicContact CD1-CB 4.16Å; S328-E331 PolarHBondContact N-OE2 3.38Å; S328-E331 PolarHBondContact O-N 2.85Å; S328-E331 VanDerWaalsContact O-N 3.12Å; S328-E331 VanDerWaalsContact OG-CG 3.28Å; S328-E331 WeakPolarHBondContact OG-CG 3.36Å; S328-E331 PolarHBondContact OG-N 2.84Å; S328-E331 PolarHBondContact OG-OE2 3.38Å; S328-E331 VanDerWaalsContact OG-OE2 3.08Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 2.87Å; E331-L335 WeakPolarHBondContact O-CG 3.44Å; E331-L335 PolarHBondContact O-N 3.41Å; E331-L449 HydrophobicContact CB-CD2 3.76Å; E331-L449 HydrophobicContact CG-CD2 3.7Å |
| 332 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 172.5 | -66.7 | 178.2 | 0 | 0 | 0 | 112 | V315 F327 S328 N330 A334 L335 F336 F413 M431 | V315-L332 HydrophobicContact CB-CD1 4.4Å; V315-L332 HydrophobicContact CB-CD2 3.87Å; V315-L332 HydrophobicContact CG2-CD1 3.93Å; V315-L332 HydrophobicContact CG2-CD2 3.59Å; V315-L332 HydrophobicContact CG2-CG 4.43Å; F327-L332 HydrophobicContact CB-CD1 4.44Å; F327-L332 HydrophobicContact CB-CD2 3.73Å; F327-L332 HydrophobicContact CB-CG 3.79Å; F327-L332 HydrophobicContact CG-CD2 4.25Å; S328-L332 WeakPolarHBondContact O-CG 3.06Å; S328-L332 PolarHBondContact O-N 2.86Å; N330-L332 VanDerWaalsContact C-N 3.35Å; L332-A334 VanDerWaalsContact C-N 3.28Å; L332-A334 PolarHBondContact O-N 3.09Å; L332-L335 HydrophobicContact CD2-CD1 4.3Å; L332-L335 PolarHBondContact O-N 3.02Å; L332-F336 HydrophobicContact CB-CD2 4.36Å; L332-F336 HydrophobicContact CB-CE2 4.39Å; L332-F336 WeakPolarHBondContact O-CB 2.98Å; L332-F336 WeakPolarHBondContact O-CD2 3.3Å; L332-F336 PolarHBondContact O-N 3.11Å; L332-F413 HydrophobicContact CB-CE1 3.83Å; L332-F413 HydrophobicContact CB-CE2 4.31Å; L332-F413 HydrophobicContact CB-CZ 3.45Å; L332-F413 VanDerWaalsContact CB-CZ 3.45Å; L332-F413 HydrophobicContact CD1-CE2 4.02Å; L332-F413 HydrophobicContact CD1-CZ 3.83Å; L332-F413 HydrophobicContact CG-CZ 4.29Å; L332-M431 HydrophobicContact CD2-CE 4.35Å |
| 333 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G329 N330 G337 | G329-G333 PolarHBondContact O-N 3.01Å; N330-G333 PolarHBondContact O-N 2.83Å; G333-G337 WeakPolarHBondContact O-CA 3.45Å; G333-G337 PolarHBondContact O-N 3.49Å |
| 334 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | N330 E331 L332 G337 W338 I367 L449 I452 Y453 | N330-A334 PolarHBondContact O-N 3.1Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 2.87Å; L332-A334 VanDerWaalsContact C-N 3.28Å; L332-A334 PolarHBondContact O-N 3.09Å; A334-G337 PolarHBondContact O-N 2.86Å; A334-W338 WeakPolarHBondContact O-CB 3.45Å; A334-W338 PolarHBondContact O-N 2.98Å; A334-I367 HydrophobicContact CB-CB 4.42Å; A334-I367 HydrophobicContact CB-CG1 3.71Å; A334-I367 HydrophobicContact CB-CG2 3.87Å; A334-L449 HydrophobicContact CB-CD1 3.75Å; A334-I452 HydrophobicContact CB-CG2 4.38Å; A334-Y453 HydrophobicContact CB-CE1 4.33Å |
| 335 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 178.9 | -73.2 | 166 | 0 | 0 | 0 | 111.6 | F327 E331 L332 W338 W339 M431 L434 L445 Q448 L449 I452 | F327-L335 HydrophobicContact CD1-CD1 4.38Å; F327-L335 HydrophobicContact CE1-CD1 4.47Å; E331-L335 WeakPolarHBondContact O-CG 3.44Å; E331-L335 PolarHBondContact O-N 3.41Å; L332-L335 HydrophobicContact CD2-CD1 4.3Å; L332-L335 PolarHBondContact O-N 3.02Å; L335-W338 PolarHBondContact O-N 3.23Å; L335-W339 WeakPolarHBondContact O-CB 3.25Å; L335-W339 PolarHBondContact O-N 2.62Å; L335-M431 HydrophobicContact CB-CE 4.42Å; L335-L434 HydrophobicContact CB-CD1 3.92Å; L335-L434 HydrophobicContact CD2-CD2 4.38Å; L335-L434 WeakPolarHBondContact O-CD1 3.44Å; L335-L445 HydrophobicContact CD1-CB 4.45Å; L335-Q448 HydrophobicContact CD2-CB 4.45Å; L335-Q448 HydrophobicContact CD2-CG 4.28Å; L335-L449 HydrophobicContact CD2-CB 4.41Å; L335-L449 HydrophobicContact CG-CD1 4.33Å; L335-I452 HydrophobicContact CD2-CD1 3.87Å |
| 336 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 176.3 | -77.8 | -59.9 | 0 | 0 | 0 | 112.1 | L313 L332 W338 W339 L340 F405 F413 A427 V430 M431 | L313-F336 HydrophobicContact CD2-CE2 4.46Å; L313-F336 HydrophobicContact CD2-CZ 3.98Å; L332-F336 HydrophobicContact CB-CD2 4.36Å; L332-F336 HydrophobicContact CB-CE2 4.39Å; L332-F336 WeakPolarHBondContact O-CB 2.98Å; L332-F336 WeakPolarHBondContact O-CD2 3.3Å; L332-F336 PolarHBondContact O-N 3.11Å; F336-W338 VanDerWaalsContact C-N 3.33Å; F336-W338 PolarHBondContact O-N 3.38Å; F336-W339 PolarHBondContact O-N 3.15Å; F336-L340 VanDerWaalsContact O-CB 3.32Å; F336-L340 WeakPolarHBondContact O-CB 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.37Å; F336-L340 PolarHBondContact O-N 3.19Å; F336-F405 HydrophobicContact CB-CD2 4.38Å; F336-F405 HydrophobicContact CB-CE1 3.88Å; F336-F405 HydrophobicContact CB-CE2 3.62Å; F336-F405 HydrophobicContact CB-CZ 3.32Å; F336-F405 HydrophobicContact CD2-CE2 4.35Å; F336-F405 HydrophobicContact CD2-CZ 4.19Å; F336-F405 HydrophobicContact CG-CE2 4.09Å; F336-F405 HydrophobicContact CG-CZ 4.07Å; F336-F413 AromaticContact CD2-CD1 3.63Å; F336-F413 HydrophobicContact CD2-CD1 3.63Å; F336-F413 AromaticContact CD2-CE1 3.92Å; F336-F413 HydrophobicContact CD2-CE1 3.92Å; F336-F413 AromaticContact CD2-CG 3.98Å; F336-F413 HydrophobicContact CD2-CG 3.98Å; F336-F413 HydrophobicContact CD2-CZ 4.49Å; F336-F413 HydrophobicContact CE2-CB 4.3Å; F336-F413 AromaticContact CE2-CD1 3.8Å; F336-F413 HydrophobicContact CE2-CD1 3.8Å; F336-F413 AromaticContact CE2-CD2 3.88Å; F336-F413 HydrophobicContact CE2-CD2 3.88Å; F336-F413 HydrophobicContact CE2-CE1 4.09Å; F336-F413 HydrophobicContact CE2-CE2 4.15Å; F336-F413 AromaticContact CE2-CG 3.7Å; F336-F413 HydrophobicContact CE2-CG 3.7Å; F336-F413 HydrophobicContact CE2-CZ 4.26Å; F336-A427 HydrophobicContact CE1-CB 4.5Å; F336-A427 WeakPolarHBondContact CE1-O 3.36Å; F336-A427 HydrophobicContact CE2-CB 4.48Å; F336-A427 HydrophobicContact CZ-CB 3.88Å; F336-A427 WeakPolarHBondContact CZ-O 3.35Å; F336-V430 HydrophobicContact CD1-CB 4.47Å; F336-V430 HydrophobicContact CD1-CG1 3.82Å; F336-V430 HydrophobicContact CE1-CB 3.97Å; F336-V430 HydrophobicContact CE1-CG1 3.79Å; F336-M431 HydrophobicContact CD1-CE 3.6Å; F336-M431 HydrophobicContact CD2-CE 3.8Å; F336-M431 HydrophobicContact CE1-CB 3.96Å; F336-M431 HydrophobicContact CE1-CE 3.27Å; F336-M431 HydrophobicContact CE2-CE 3.48Å; F336-M431 VanDerWaalsContact CE2-CE 3.48Å; F336-M431 HydrophobicContact CG-CE 3.86Å; F336-M431 HydrophobicContact CZ-CB 3.85Å; F336-M431 HydrophobicContact CZ-CE 3.21Å; F336-M431 HydrophobicContact CZ-CG 4.48Å |
| 337 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | G333 A334 S341 | G333-G337 WeakPolarHBondContact O-CA 3.45Å; G333-G337 PolarHBondContact O-N 3.49Å; A334-G337 PolarHBondContact O-N 2.86Å; G337-S341 WeakPolarHBondContact O-CB 3.11Å; G337-S341 PolarHBondContact O-N 3.14Å; G337-S341 VanDerWaalsContact O-N 3.11Å; G337-S341 PolarHBondContact O-OG 3.22Å |
| 338 | W | 98.7 | Very high | 97.8 | Very high | 21 Ų | 21 | 26 Ų | 26 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -52.1 | 175.6 | 165.8 | 72.8 | 0 | 0 | 0 | 112 | A334 L335 F336 S341 L342 I371 L434 Y437 V438 Q448 I452 Y456 | A334-W338 WeakPolarHBondContact O-CB 3.45Å; A334-W338 PolarHBondContact O-N 2.98Å; L335-W338 PolarHBondContact O-N 3.23Å; F336-W338 VanDerWaalsContact C-N 3.33Å; F336-W338 PolarHBondContact O-N 3.38Å; W338-S341 PolarHBondContact O-N 2.94Å; W338-L342 HydrophobicContact CZ2-CD2 3.96Å; W338-L342 WeakPolarHBondContact O-CB 3.24Å; W338-L342 PolarHBondContact O-N 3.23Å; W338-I371 HydrophobicContact CB-CD1 4.39Å; W338-L434 HydrophobicContact CZ3-CG 4.43Å; W338-Y437 HydrophobicContact CH2-CD1 4.19Å; W338-Y437 AromaticContact CH2-CE1 3.85Å; W338-Y437 HydrophobicContact CH2-CE1 3.85Å; W338-Y437 HydrophobicContact CZ2-CE1 4.48Å; W338-V438 HydrophobicContact CZ3-CG2 4.38Å; W338-Q448 HydrophobicContact CE3-CG 4.26Å; W338-Q448 VanDerWaalsContact CH2-CD 3.46Å; W338-Q448 HydrophobicContact CH2-CG 3.85Å; W338-Q448 HydrophobicContact CZ2-CG 4.49Å; W338-Q448 HydrophobicContact CZ3-CG 3.73Å; W338-I452 HydrophobicContact CB-CD1 3.61Å; W338-I452 HydrophobicContact CB-CG1 3.92Å; W338-I452 HydrophobicContact CD2-CD1 3.81Å; W338-I452 HydrophobicContact CD2-CG1 4.02Å; W338-I452 HydrophobicContact CE3-CD1 3.89Å; W338-I452 HydrophobicContact CG-CD1 3.71Å; W338-I452 HydrophobicContact CG-CG1 3.72Å; W338-Y456 AromaticContact CD1-CE2 3.99Å |
| 339 | W | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | -175.7 | 176.4 | -108.8 | 0 | 0 | 0 | 112.5 | L335 F336 S341 L342 Q343 E433 L434 Y437 | L335-W339 WeakPolarHBondContact O-CB 3.25Å; L335-W339 PolarHBondContact O-N 2.62Å; F336-W339 PolarHBondContact O-N 3.15Å; W339-S341 VanDerWaalsContact C-N 3.29Å; W339-S341 PolarHBondContact O-N 3.41Å; W339-L342 PolarHBondContact O-N 3.42Å; W339-Q343 HydrophobicContact CD2-CG 3.9Å; W339-Q343 HydrophobicContact CE3-CG 4.24Å; W339-Q343 HydrophobicContact CG-CG 4.49Å; W339-Q343 HydrophobicContact CH2-CG 4.07Å; W339-Q343 HydrophobicContact CZ2-CG 3.66Å; W339-Q343 HydrophobicContact CZ3-CG 4.31Å; W339-Q343 VanDerWaalsContact CZ3-NE2 3.26Å; W339-Q343 WeakPolarHBondContact O-CB 3.11Å; W339-Q343 WeakPolarHBondContact O-CG 3.45Å; W339-Q343 PolarHBondContact O-N 2.82Å; W339-E433 HydrophobicContact CZ2-CG 3.83Å; W339-L434 HydrophobicContact CB-CD1 3.48Å; W339-L434 VanDerWaalsContact CB-CD1 3.48Å; W339-L434 HydrophobicContact CB-CG 3.99Å; W339-L434 HydrophobicContact CD2-CB 4.16Å; W339-L434 HydrophobicContact CD2-CG 4.24Å; W339-L434 HydrophobicContact CG-CB 4.05Å; W339-L434 HydrophobicContact CG-CD1 3.92Å; W339-L434 HydrophobicContact CG-CG 4.02Å; W339-Y437 HydrophobicContact CE3-CD1 4.3Å; W339-Y437 HydrophobicContact CE3-CG 4.45Å; W339-Y437 HydrophobicContact CH2-CD1 4.3Å; W339-Y437 AromaticContact CH2-CD2 3.78Å; W339-Y437 HydrophobicContact CH2-CD2 3.78Å; W339-Y437 AromaticContact CH2-CG 3.65Å; W339-Y437 HydrophobicContact CH2-CG 3.65Å; W339-Y437 AromaticContact CZ3-CD1 3.54Å; W339-Y437 HydrophobicContact CZ3-CD1 3.54Å; W339-Y437 AromaticContact CZ3-CD2 3.7Å; W339-Y437 HydrophobicContact CZ3-CD2 3.7Å; W339-Y437 HydrophobicContact CZ3-CE1 4.03Å; W339-Y437 HydrophobicContact CZ3-CE2 4.17Å; W339-Y437 AromaticContact CZ3-CG 3.36Å; W339-Y437 HydrophobicContact CZ3-CG 3.36Å |
| 340 | L | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | -179.7 | -67.6 | 172 | 0 | 0 | 0 | 111 | L221 F223 F336 W344 F405 C415 V430 | L221-L340 HydrophobicContact CD2-CD2 4.16Å; F223-L340 HydrophobicContact CE2-CD2 4.31Å; F336-L340 VanDerWaalsContact O-CB 3.32Å; F336-L340 WeakPolarHBondContact O-CB 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.37Å; F336-L340 PolarHBondContact O-N 3.19Å; L340-W344 WeakPolarHBondContact O-CB 3.38Å; L340-W344 PolarHBondContact O-N 3.02Å; L340-F405 HydrophobicContact CD1-CB 3.76Å; L340-F405 HydrophobicContact CD1-CD2 3.52Å; L340-F405 HydrophobicContact CD1-CE2 4.29Å; L340-F405 HydrophobicContact CD1-CG 3.74Å; L340-C415 HydrophobicContact CD1-CB 4.16Å; L340-V430 HydrophobicContact CD2-CG1 4.1Å |
| 341 | S | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | G337 W338 W339 K345 F377 | G337-S341 WeakPolarHBondContact O-CB 3.11Å; G337-S341 PolarHBondContact O-N 3.14Å; G337-S341 VanDerWaalsContact O-N 3.11Å; G337-S341 PolarHBondContact O-OG 3.22Å; W338-S341 PolarHBondContact O-N 2.94Å; W339-S341 VanDerWaalsContact C-N 3.29Å; W339-S341 PolarHBondContact O-N 3.41Å; S341-K345 WeakPolarHBondContact O-CG 3.29Å; S341-K345 PolarHBondContact O-N 3.42Å; S341-K345 VanDerWaalsContact O-N 3.14Å; S341-F377 VanDerWaalsContact CB-CE2 3.49Å; S341-F377 WeakPolarHBondContact OG-CE2 2.83Å |
| 342 | L | 97.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -53.5 | 177.1 | 175.4 | 63 | 0 | 0 | 0 | 111.1 | W338 W339 W344 K345 I346 | W338-L342 HydrophobicContact CZ2-CD2 3.96Å; W338-L342 WeakPolarHBondContact O-CB 3.24Å; W338-L342 PolarHBondContact O-N 3.23Å; W339-L342 PolarHBondContact O-N 3.42Å; L342-W344 VanDerWaalsContact C-N 3.34Å; L342-W344 PolarHBondContact O-N 3.41Å; L342-K345 PolarHBondContact O-N 2.84Å; L342-I346 HydrophobicContact CD1-CD1 3.91Å; L342-I346 HydrophobicContact CD1-CG1 4.49Å; L342-I346 HydrophobicContact CG-CD1 4Å; L342-I346 WeakPolarHBondContact O-CG1 3.26Å; L342-I346 PolarHBondContact O-N 3.31Å; L342-I346 VanDerWaalsContact O-N 3.11Å |
| 343 | Q | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | -176.9 | -69.8 | -58.6 | -21.8 | 0 | 0 | 112.3 | F223 W339 K345 I346 H347 | F223-Q343 HydrophobicContact CB-CB 4.46Å; F223-Q343 HydrophobicContact CB-CG 4.13Å; F223-Q343 HydrophobicContact CD1-CB 3.96Å; F223-Q343 HydrophobicContact CD2-CB 3.51Å; F223-Q343 HydrophobicContact CD2-CG 3.5Å; F223-Q343 HydrophobicContact CE1-CB 4.03Å; F223-Q343 HydrophobicContact CE2-CB 3.58Å; F223-Q343 HydrophobicContact CE2-CG 4Å; F223-Q343 HydrophobicContact CG-CB 3.7Å; F223-Q343 HydrophobicContact CG-CG 3.8Å; F223-Q343 HydrophobicContact CZ-CB 3.84Å; W339-Q343 HydrophobicContact CD2-CG 3.9Å; W339-Q343 HydrophobicContact CE3-CG 4.24Å; W339-Q343 HydrophobicContact CG-CG 4.49Å; W339-Q343 HydrophobicContact CH2-CG 4.07Å; W339-Q343 HydrophobicContact CZ2-CG 3.66Å; W339-Q343 HydrophobicContact CZ3-CG 4.31Å; W339-Q343 VanDerWaalsContact CZ3-NE2 3.26Å; W339-Q343 WeakPolarHBondContact O-CB 3.11Å; W339-Q343 WeakPolarHBondContact O-CG 3.45Å; W339-Q343 PolarHBondContact O-N 2.82Å; Q343-K345 PolarHBondContact O-N 3.39Å; Q343-I346 PolarHBondContact O-N 3.23Å; Q343-H347 PolarHBondContact O-N 2.94Å; Q343-H347 PolarHBondContact O-ND1 2.86Å; Q343-H347 PolarHBondContact OE1-CE1 3.37Å; Q343-H347 VanDerWaalsContact OE1-CE1 3.3Å |
| 344 | W | 96.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.8 | -172.7 | 91.8 | 0 | 0 | 0 | 111.5 | L340 L342 I346 H347 N348 V351 V356 F377 I404 | L340-W344 WeakPolarHBondContact O-CB 3.38Å; L340-W344 PolarHBondContact O-N 3.02Å; L342-W344 VanDerWaalsContact C-N 3.34Å; L342-W344 PolarHBondContact O-N 3.41Å; W344-I346 PolarHBondContact O-N 3.38Å; W344-H347 PolarHBondContact O-N 2.92Å; W344-N348 HydrophobicContact CD2-CB 4.16Å; W344-N348 HydrophobicContact CE3-CB 4.34Å; W344-N348 HydrophobicContact CH2-CB 3.98Å; W344-N348 HydrophobicContact CZ2-CB 3.74Å; W344-N348 HydrophobicContact CZ3-CB 4.26Å; W344-N348 VanDerWaalsContact O-CB 3.31Å; W344-N348 WeakPolarHBondContact O-CB 3.22Å; W344-N348 PolarHBondContact O-N 2.97Å; W344-N348 PolarHBondContact O-ND2 2.93Å; W344-V351 HydrophobicContact CH2-CB 3.47Å; W344-V351 VanDerWaalsContact CH2-CB 3.47Å; W344-V351 HydrophobicContact CH2-CG1 3.5Å; W344-V351 VanDerWaalsContact CH2-CG1 3.5Å; W344-V351 HydrophobicContact CH2-CG2 4.5Å; W344-V351 HydrophobicContact CZ2-CB 3.81Å; W344-V351 HydrophobicContact CZ2-CG1 3.64Å; W344-V351 HydrophobicContact CZ2-CG2 4.45Å; W344-V356 HydrophobicContact CD2-CG2 4.08Å; W344-V356 HydrophobicContact CE3-CG2 4.16Å; W344-V356 HydrophobicContact CH2-CG2 3.17Å; W344-V356 HydrophobicContact CZ2-CB 4.47Å; W344-V356 HydrophobicContact CZ2-CG2 3.08Å; W344-V356 HydrophobicContact CZ3-CG2 3.74Å; W344-F377 HydrophobicContact CD2-CZ 4.38Å; W344-F377 AromaticContact CE3-CE1 3.68Å; W344-F377 HydrophobicContact CE3-CE1 3.68Å; W344-F377 AromaticContact CE3-CZ 3.68Å; W344-F377 HydrophobicContact CE3-CZ 3.68Å; W344-F377 AromaticContact CZ3-CE1 3.78Å; W344-F377 HydrophobicContact CZ3-CE1 3.78Å; W344-F377 HydrophobicContact CZ3-CZ 4.26Å; W344-I404 HydrophobicContact CB-CD1 4.1Å; W344-I404 HydrophobicContact CG-CD1 4.22Å; W344-I404 HydrophobicContact CG-CG2 4.32Å |
| 345 | K | 96.5 | Very high | 97.1 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 177.9 | -74 | 178.6 | 64.4 | 168 | 0 | 112.6 | S341 L342 Q343 H347 E375 F377 | S341-K345 WeakPolarHBondContact O-CG 3.29Å; S341-K345 PolarHBondContact O-N 3.42Å; S341-K345 VanDerWaalsContact O-N 3.14Å; L342-K345 PolarHBondContact O-N 2.84Å; Q343-K345 PolarHBondContact O-N 3.39Å; K345-H347 VanDerWaalsContact C-N 3.32Å; K345-H347 PolarHBondContact O-N 3.34Å; K345-E375 HydrophobicContact CD-CB 4.36Å; K345-E375 WeakPolarHBondContact CD-OE2 3.41Å; K345-E375 IonicContact NZ-OE2 2.88Å; K345-E375 PolarHBondContact NZ-OE2 3.03Å; K345-F377 HydrophobicContact CD-CZ 4.22Å; K345-F377 HydrophobicContact CG-CE1 4.26Å; K345-F377 HydrophobicContact CG-CZ 3.91Å |
| 346 | I | 96.8 | Very high | 97.1 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.5 | -70.4 | 168.6 | 0 | 0 | 0 | 111 | L342 Q343 W344 | L342-I346 HydrophobicContact CD1-CD1 3.91Å; L342-I346 HydrophobicContact CD1-CG1 4.49Å; L342-I346 HydrophobicContact CG-CD1 4Å; L342-I346 WeakPolarHBondContact O-CG1 3.26Å; L342-I346 PolarHBondContact O-N 3.31Å; L342-I346 VanDerWaalsContact O-N 3.11Å; Q343-I346 PolarHBondContact O-N 3.23Å; W344-I346 PolarHBondContact O-N 3.38Å |
| 347 | H | 96.1 | Very high | 97 | Very high | 97 Ų | 97 | 48.9 Ų | 48.9 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -89.4 | -11.8 | -174.8 | -67.9 | 82.2 | 0 | 0 | 0 | 114.1 | F223 Q343 W344 K345 P349 | F223-H347 AromaticContact CD1-CE1 3.64Å; F223-H347 AromaticContact CD1-ND1 3.64Å; Q343-H347 PolarHBondContact O-N 2.94Å; Q343-H347 PolarHBondContact O-ND1 2.86Å; Q343-H347 PolarHBondContact OE1-CE1 3.37Å; Q343-H347 VanDerWaalsContact OE1-CE1 3.3Å; W344-H347 PolarHBondContact O-N 2.92Å; K345-H347 VanDerWaalsContact C-N 3.32Å; K345-H347 PolarHBondContact O-N 3.34Å; H347-P349 VanDerWaalsContact C-CD 3.46Å |
| 348 | N | 96.1 | Very high | 97 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | trans | -132.5 | 53 | -178.5 | -56.5 | -90.5 | 0 | 0 | 0 | 112.2 | W344 H350 V351 | W344-N348 HydrophobicContact CD2-CB 4.16Å; W344-N348 HydrophobicContact CE3-CB 4.34Å; W344-N348 HydrophobicContact CH2-CB 3.98Å; W344-N348 HydrophobicContact CZ2-CB 3.74Å; W344-N348 HydrophobicContact CZ3-CB 4.26Å; W344-N348 VanDerWaalsContact O-CB 3.31Å; W344-N348 WeakPolarHBondContact O-CB 3.22Å; W344-N348 PolarHBondContact O-N 2.97Å; W344-N348 PolarHBondContact O-ND2 2.93Å; N348-H350 PolarHBondContact O-N 2.87Å; N348-V351 HydrophobicContact CB-CB 4.2Å; N348-V351 HydrophobicContact CB-CG2 3.93Å; N348-V351 PolarHBondContact O-N 2.9Å; N348-V351 VanDerWaalsContact O-N 3.14Å | ||
| 349 | P | 95.7 | Very high | 97 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 60% | 0.597 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.7 | -170.1 | 27.8 | -37.3 | 0 | 0 | 0 | 114.6 | H347 | H347-P349 VanDerWaalsContact C-CD 3.46Š|
| 350 | H | 96.4 | Very high | 97 | Very high | 184 Ų | 184 | 47.9 Ų | 47.9 | 85% | 0.852 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -1.8 | -178 | -56.2 | -49.3 | 0 | 0 | 0 | 113.6 | N348 | N348-H350 PolarHBondContact O-N 2.87Š|
| 351 | V | 95.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -89.3 | 135.4 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | W344 N348 P353 S355 | W344-V351 HydrophobicContact CH2-CB 3.47Å; W344-V351 VanDerWaalsContact CH2-CB 3.47Å; W344-V351 HydrophobicContact CH2-CG1 3.5Å; W344-V351 VanDerWaalsContact CH2-CG1 3.5Å; W344-V351 HydrophobicContact CH2-CG2 4.5Å; W344-V351 HydrophobicContact CZ2-CB 3.81Å; W344-V351 HydrophobicContact CZ2-CG1 3.64Å; W344-V351 HydrophobicContact CZ2-CG2 4.45Å; N348-V351 HydrophobicContact CB-CB 4.2Å; N348-V351 HydrophobicContact CB-CG2 3.93Å; N348-V351 PolarHBondContact O-N 2.9Å; N348-V351 VanDerWaalsContact O-N 3.14Å; V351-P353 VanDerWaalsContact O-CD 3.27Å; V351-P353 WeakPolarHBondContact O-CD 3.5Å; V351-S355 WeakPolarHBondContact CG1-OG 3.38Å |
| 352 | N | 95.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | trans | -64.2 | 119.2 | 177.2 | -179.4 | -12.4 | 0 | 0 | 0 | 110 | S354 S355 | N352-S354 PolarHBondContact ND2-OG 3.47Å; N352-S354 VanDerWaalsContact ND2-OG 3.08Å; N352-S354 PolarHBondContact O-N 2.73Å; N352-S354 VanDerWaalsContact O-N 3.09Å; N352-S354 PolarHBondContact OD1-N 2.69Å; N352-S354 PolarHBondContact OD1-OG 2.87Å; N352-S355 WeakPolarHBondContact O-CB 3.47Å; N352-S355 PolarHBondContact O-N 3.17Å; N352-S355 PolarHBondContact O-OG 3.3Å | ||
| 353 | P | 95.6 | Very high | 96.6 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -52.8 | -32.9 | 179.7 | -30.3 | 38.7 | 0 | 0 | 0 | 114 | V351 S355 V356 G376 F377 | V351-P353 VanDerWaalsContact O-CD 3.27Å; V351-P353 WeakPolarHBondContact O-CD 3.5Å; P353-S355 PolarHBondContact O-N 3.41Å; P353-S355 VanDerWaalsContact O-N 3.15Å; P353-V356 VanDerWaalsContact O-CB 3.32Å; P353-V356 WeakPolarHBondContact O-CB 3.39Å; P353-V356 PolarHBondContact O-N 2.89Å; P353-G376 CarbonylContact C-O 3.58Å; P353-G376 VanDerWaalsContact CB-O 3.28Å; P353-G376 WeakPolarHBondContact CB-O 3.48Å; P353-F377 HydrophobicContact CB-CD1 3.67Å; P353-F377 HydrophobicContact CB-CE1 3.88Å; P353-F377 WeakPolarHBondContact O-CD1 3.37Å |
| 354 | S | 95.2 | Very high | 96.6 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -67.8 | -14 | 179 | 63 | 0 | 0 | 0 | 0 | 114.7 | N352 G376 | N352-S354 PolarHBondContact ND2-OG 3.47Å; N352-S354 VanDerWaalsContact ND2-OG 3.08Å; N352-S354 PolarHBondContact O-N 2.73Å; N352-S354 VanDerWaalsContact O-N 3.09Å; N352-S354 PolarHBondContact OD1-N 2.69Å; N352-S354 PolarHBondContact OD1-OG 2.87Å; S354-G376 PolarHBondContact N-O 3.24Å |
| 355 | S | 97.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -84.3 | 4.7 | 171 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | V351 N352 P353 I401 K402 | V351-S355 WeakPolarHBondContact CG1-OG 3.38Å; N352-S355 WeakPolarHBondContact O-CB 3.47Å; N352-S355 PolarHBondContact O-N 3.17Å; N352-S355 PolarHBondContact O-OG 3.3Å; P353-S355 PolarHBondContact O-N 3.41Å; P353-S355 VanDerWaalsContact O-N 3.15Å; S355-I401 CarbonylContact O-C 3.48Å; S355-I401 WeakPolarHBondContact O-CA 3.46Å; S355-K402 PolarHBondContact O-N 2.95Å |
| 356 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.2 | 177.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | W344 P353 F377 R378 K402 I404 | W344-V356 HydrophobicContact CD2-CG2 4.08Å; W344-V356 HydrophobicContact CE3-CG2 4.16Å; W344-V356 HydrophobicContact CH2-CG2 3.17Å; W344-V356 HydrophobicContact CZ2-CB 4.47Å; W344-V356 HydrophobicContact CZ2-CG2 3.08Å; W344-V356 HydrophobicContact CZ3-CG2 3.74Å; P353-V356 VanDerWaalsContact O-CB 3.32Å; P353-V356 WeakPolarHBondContact O-CB 3.39Å; P353-V356 PolarHBondContact O-N 2.89Å; V356-F377 HydrophobicContact CB-CD1 3.85Å; V356-F377 HydrophobicContact CB-CE1 4.17Å; V356-F377 HydrophobicContact CB-CG 4.32Å; V356-F377 HydrophobicContact CG1-CD1 4.17Å; V356-F377 HydrophobicContact CG1-CE1 4.3Å; V356-F377 HydrophobicContact CG1-CG 4.32Å; V356-F377 HydrophobicContact CG2-CD1 4.46Å; V356-F377 HydrophobicContact CG2-CE1 4.39Å; V356-R378 WeakPolarHBondContact O-CB 3.27Å; V356-R378 PolarHBondContact O-N 3.27Å; V356-K402 CarbonylContact C-O 2.96Å; V356-K402 WeakPolarHBondContact CA-O 3.31Å; V356-I404 HydrophobicContact CG1-CB 4.25Å; V356-I404 HydrophobicContact CG1-CD1 3.7Å; V356-I404 HydrophobicContact CG1-CG1 3.67Å; V356-I404 HydrophobicContact CG1-CG2 3.65Å |
| 357 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L359 R378 L396 I401 K402 T403 I404 | A357-L359 HydrophobicContact CB-CD1 3.89Å; A357-R378 CarbonylContact C-O 3.48Å; A357-R378 VanDerWaalsContact CA-O 3.25Å; A357-R378 WeakPolarHBondContact CA-O 3.4Å; A357-R378 HydrophobicContact CB-CB 4.21Å; A357-L396 HydrophobicContact CB-CD1 3.83Å; A357-I401 HydrophobicContact CB-CG2 3.66Å; A357-K402 PolarHBondContact N-O 3.24Å; A357-T403 WeakPolarHBondContact O-CA 3.4Å; A357-I404 PolarHBondContact O-N 2.89Å |
| 358 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.8 | 163.6 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | L368 A372 R378 F379 E380 I404 F405 | V358-L368 HydrophobicContact CB-CD1 3.84Å; V358-L368 HydrophobicContact CB-CD2 3.96Å; V358-L368 HydrophobicContact CB-CG 3.89Å; V358-L368 HydrophobicContact CG1-CD1 4.23Å; V358-L368 HydrophobicContact CG2-CD1 3.75Å; V358-L368 HydrophobicContact CG2-CD2 4.25Å; V358-L368 HydrophobicContact CG2-CG 3.68Å; V358-A372 HydrophobicContact CG2-CB 3.54Å; V358-R378 PolarHBondContact N-O 3.48Å; V358-F379 HydrophobicContact CG2-CD2 4.33Å; V358-F379 WeakPolarHBondContact O-CA 3.41Å; V358-E380 PolarHBondContact O-N 2.92Å; V358-I404 HydrophobicContact CG1-CD1 4.09Å; V358-I404 HydrophobicContact CG1-CG1 3.65Å; V358-F405 CarbonylContact C-O 3.56Å; V358-F405 VanDerWaalsContact CA-O 3.26Å; V358-F405 WeakPolarHBondContact CA-O 3.07Å; V358-F405 HydrophobicContact CG1-CB 4.06Å |
| 359 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.9 | -171.8 | -66.6 | 69.6 | 0 | 0 | 0 | 111.3 | A357 L368 E380 T382 L389 R392 L396 T403 F405 A406 F407 | A357-L359 HydrophobicContact CB-CD1 3.89Å; L359-L368 WeakPolarHBondContact O-CD2 3.25Å; L359-E380 VanDerWaalsContact CA-O 3.27Å; L359-E380 WeakPolarHBondContact CA-O 3.36Å; L359-E380 HydrophobicContact CG-CB 4.4Å; L359-T382 HydrophobicContact CD2-CG2 4.34Å; L359-L389 HydrophobicContact CB-CD2 3.67Å; L359-L389 HydrophobicContact CD2-CD2 4.42Å; L359-R392 HydrophobicContact CD2-CB 3.95Å; L359-R392 HydrophobicContact CD2-CG 3.77Å; L359-L396 HydrophobicContact CD1-CD1 3.93Å; L359-L396 HydrophobicContact CD2-CD1 4.19Å; L359-L396 HydrophobicContact CG-CD1 4.45Å; L359-T403 HydrophobicContact CD1-CG2 3.54Å; L359-F405 PolarHBondContact N-O 3.37Å; L359-A406 HydrophobicContact CB-CB 3.94Å; L359-A406 WeakPolarHBondContact O-CA 3.2Å; L359-F407 PolarHBondContact O-N 3.46Å; L359-F407 VanDerWaalsContact O-N 3.13Å |
| 360 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.6 | 166.7 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | F379 E380 E381 T382 F407 | S360-F379 WeakPolarHBondContact OG-CE2 3.18Å; S360-F379 WeakPolarHBondContact OG-CZ 3.35Å; S360-E380 PolarHBondContact N-O 3.41Å; S360-E381 VanDerWaalsContact O-CA 3.29Å; S360-E381 WeakPolarHBondContact O-CA 3.33Å; S360-T382 PolarHBondContact O-N 2.93Å; S360-F407 WeakPolarHBondContact CA-O 3.4Å; S360-F407 VanDerWaalsContact CB-CE1 3.45Å |
| 361 | S | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 153.6 | 171.8 | 80.8 | 0 | 0 | 0 | 0 | 111 | V363 S364 T382 F407 E408 | S361-V363 PolarHBondContact O-N 2.98Å; S361-V363 VanDerWaalsContact OG-CG2 3.3Å; S361-V363 WeakPolarHBondContact OG-CG2 3.24Å; S361-S364 WeakPolarHBondContact O-CB 3.26Å; S361-S364 PolarHBondContact O-N 2.91Å; S361-S364 PolarHBondContact OG-N 3.25Å; S361-S364 PolarHBondContact OG-OG 2.83Å; S361-T382 CarbonylContact C-O 3.49Å; S361-T382 VanDerWaalsContact CA-O 3.28Å; S361-T382 WeakPolarHBondContact CA-O 3.48Å; S361-F407 PolarHBondContact N-O 2.93Å; S361-E408 WeakPolarHBondContact CB-OE1 3.22Å |
| 362 | T | 94.8 | Very high | 97 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.5 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | K366 E381 T382 L523 | T362-K366 PolarHBondContact O-NZ 2.93Å; T362-E381 HydrophobicContact CG2-CB 4.09Å; T362-T382 WeakPolarHBondContact CG2-O 3.21Å; T362-T382 PolarHBondContact N-O 3.14Å; T362-L523 HydrophobicContact CG2-CD1 3.36Å |
| 363 | V | 93.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.048 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -7 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | S361 T384 T543 Y556 | S361-V363 PolarHBondContact O-N 2.98Å; S361-V363 VanDerWaalsContact OG-CG2 3.3Å; S361-V363 WeakPolarHBondContact OG-CG2 3.24Å; V363-T384 HydrophobicContact CG2-CG2 4.23Å; V363-T384 WeakPolarHBondContact CG2-OG1 3.35Å; V363-T543 HydrophobicContact CG1-CG2 4.25Å; V363-Y556 HydrophobicContact CB-CD1 3.78Å; V363-Y556 HydrophobicContact CB-CD2 3.91Å; V363-Y556 HydrophobicContact CB-CE1 3.98Å; V363-Y556 HydrophobicContact CB-CE2 4.13Å; V363-Y556 HydrophobicContact CB-CG 3.73Å; V363-Y556 HydrophobicContact CG1-CD1 4.48Å; V363-Y556 HydrophobicContact CG1-CD2 3.69Å; V363-Y556 HydrophobicContact CG1-CE2 3.89Å; V363-Y556 HydrophobicContact CG1-CG 4.02Å; V363-Y556 HydrophobicContact CG2-CD1 4.45Å; V363-Y556 HydrophobicContact CG2-CE1 4.21Å |
| 364 | S | 97.1 | Very high | 97 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.4 | 157.7 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | S361 K366 F407 E408 E409 | S361-S364 WeakPolarHBondContact O-CB 3.26Å; S361-S364 PolarHBondContact O-N 2.91Å; S361-S364 PolarHBondContact OG-N 3.25Å; S361-S364 PolarHBondContact OG-OG 2.83Å; S364-K366 PolarHBondContact O-NZ 3.05Å; S364-K366 VanDerWaalsContact O-NZ 3.1Å; S364-F407 PolarHBondContact OG-O 3.44Å; S364-E408 WeakPolarHBondContact OG-CA 3.18Å; S364-E409 PolarHBondContact OG-N 3.13Å |
| 365 | S | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | -52.9 | 140.6 | 171.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | N330 I367 E558 | N330-S365 VanDerWaalsContact OD1-CB 3.22Å; N330-S365 WeakPolarHBondContact OD1-CB 3.43Å; N330-S365 PolarHBondContact OD1-N 2.91Å; S365-I367 PolarHBondContact O-N 2.86Å; S365-I367 WeakPolarHBondContact OG-CB 3.39Å; S365-I367 VanDerWaalsContact OG-CG2 3.22Å; S365-I367 WeakPolarHBondContact OG-CG2 3.49Å; S365-I367 PolarHBondContact OG-N 3.16Å; S365-I367 VanDerWaalsContact OG-N 3.12Å; S365-E558 WeakPolarHBondContact CA-OE1 3.42Å; S365-E558 WeakPolarHBondContact CB-OE1 3.21Å; S365-E558 PolarHBondContact OG-OE1 3.46Å | ||
| 366 | K | 97 | Very high | 97.1 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 8.2 | 175.2 | -52.9 | -60.5 | 170.6 | -123.8 | 0 | 112.4 | T362 S364 L368 K369 T370 E381 E558 | T362-K366 PolarHBondContact O-NZ 2.93Å; S364-K366 PolarHBondContact O-NZ 3.05Å; S364-K366 VanDerWaalsContact O-NZ 3.1Å; K366-L368 PolarHBondContact O-N 2.95Å; K366-K369 HydrophobicContact CB-CB 4.24Å; K366-K369 WeakPolarHBondContact O-CA 3.43Å; K366-K369 WeakPolarHBondContact O-CB 3.45Å; K366-K369 PolarHBondContact O-N 3.19Å; K366-T370 PolarHBondContact O-N 2.93Å; K366-T370 PolarHBondContact O-OG1 3.33Å; K366-E381 WeakPolarHBondContact CE-OE1 3.45Å; K366-E381 IonicContact NZ-OE1 3.95Å; K366-E381 PolarHBondContact NZ-OE1 2.86Å; K366-E558 WeakPolarHBondContact CB-OE2 3.45Å; K366-E558 WeakPolarHBondContact CG-OE2 3.43Å; K366-E558 PolarHBondContact N-OE1 3.36Å; K366-E558 PolarHBondContact N-OE2 2.88Å; K366-E558 VanDerWaalsContact N-OE2 3.16Å |
| 367 | I | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54 | -37.5 | 175.5 | -176.6 | 57.4 | 0 | 0 | 0 | 111.6 | A334 S365 K369 T370 I371 I452 Y453 H459 | A334-I367 HydrophobicContact CB-CB 4.42Å; A334-I367 HydrophobicContact CB-CG1 3.71Å; A334-I367 HydrophobicContact CB-CG2 3.87Å; S365-I367 PolarHBondContact O-N 2.86Å; S365-I367 WeakPolarHBondContact OG-CB 3.39Å; S365-I367 VanDerWaalsContact OG-CG2 3.22Å; S365-I367 WeakPolarHBondContact OG-CG2 3.49Å; S365-I367 PolarHBondContact OG-N 3.16Å; S365-I367 VanDerWaalsContact OG-N 3.12Å; I367-K369 VanDerWaalsContact C-N 3.32Å; I367-K369 PolarHBondContact O-N 2.92Å; I367-T370 PolarHBondContact O-N 3.1Å; I367-I371 HydrophobicContact CD1-CD1 4.37Å; I367-I371 HydrophobicContact CD1-CG1 4.38Å; I367-I371 HydrophobicContact CG1-CD1 3.98Å; I367-I371 HydrophobicContact CG1-CG1 4.45Å; I367-I371 VanDerWaalsContact O-CG1 3.32Å; I367-I371 WeakPolarHBondContact O-CG1 3.5Å; I367-I371 PolarHBondContact O-N 3.45Å; I367-I452 HydrophobicContact CD1-CG2 4.44Å; I367-Y453 HydrophobicContact CD1-CD1 4.05Å; I367-Y453 HydrophobicContact CD1-CE1 4.13Å; I367-Y453 HydrophobicContact CG1-CE1 4.16Å; I367-H459 WeakPolarHBondContact CA-CE1 3.43Å; I367-H459 HydrophobicContact CB-CB 4.41Å; I367-H459 VanDerWaalsContact CD1-CD2 3.49Å; I367-H459 WeakPolarHBondContact CD1-CD2 3.28Å; I367-H459 PolarHBondContact N-CE1 3.39Å; I367-H459 PolarHBondContact N-ND1 2.91Å |
| 368 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -32.3 | 176.7 | -172.6 | 58.8 | 0 | 0 | 0 | 112.7 | V358 L359 K366 A372 F379 F405 F407 | V358-L368 HydrophobicContact CB-CD1 3.84Å; V358-L368 HydrophobicContact CB-CD2 3.96Å; V358-L368 HydrophobicContact CB-CG 3.89Å; V358-L368 HydrophobicContact CG1-CD1 4.23Å; V358-L368 HydrophobicContact CG2-CD1 3.75Å; V358-L368 HydrophobicContact CG2-CD2 4.25Å; V358-L368 HydrophobicContact CG2-CG 3.68Å; L359-L368 WeakPolarHBondContact O-CD2 3.25Å; K366-L368 PolarHBondContact O-N 2.95Å; L368-A372 VanDerWaalsContact O-CB 3.27Å; L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.31Å; L368-F379 HydrophobicContact CB-CE2 4.4Å; L368-F379 HydrophobicContact CG-CD2 4.48Å; L368-F379 HydrophobicContact CG-CE2 4.5Å; L368-F405 HydrophobicContact CD1-CD1 3.84Å; L368-F405 HydrophobicContact CD1-CE1 4.29Å; L368-F405 HydrophobicContact CD2-CD1 3.66Å; L368-F405 HydrophobicContact CD2-CE1 3.94Å; L368-F405 HydrophobicContact CG-CD1 4.43Å; L368-F407 HydrophobicContact CB-CD1 4.49Å; L368-F407 HydrophobicContact CB-CE1 3.73Å; L368-F407 HydrophobicContact CD2-CD1 3.53Å; L368-F407 HydrophobicContact CD2-CE1 3.59Å; L368-F407 HydrophobicContact CG-CE1 4.33Å |
| 369 | K | 97.4 | Very high | 97 | Very high | 79 Ų | 79 | 27.9 Ų | 27.9 | 34% | 0.343 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 170.4 | -179.3 | 177.6 | 172.4 | 177.9 | 0 | 110.1 | K366 I367 I371 A372 E373 F379 | K366-K369 HydrophobicContact CB-CB 4.24Å; K366-K369 WeakPolarHBondContact O-CA 3.43Å; K366-K369 WeakPolarHBondContact O-CB 3.45Å; K366-K369 PolarHBondContact O-N 3.19Å; I367-K369 VanDerWaalsContact C-N 3.32Å; I367-K369 PolarHBondContact O-N 2.92Å; K369-I371 PolarHBondContact O-N 3.06Å; K369-A372 WeakPolarHBondContact O-CB 3.28Å; K369-A372 PolarHBondContact O-N 3.38Å; K369-E373 WeakPolarHBondContact CE-OE1 3.47Å; K369-E373 HydrophobicContact CG-CG 4.37Å; K369-E373 IonicContact NZ-OE1 3.25Å; K369-E373 WeakPolarHBondContact O-CG 3.17Å; K369-E373 PolarHBondContact O-N 3.48Å; K369-F379 HydrophobicContact CB-CB 4.49Å; K369-F379 HydrophobicContact CB-CD1 3.55Å; K369-F379 HydrophobicContact CB-CD2 3.89Å; K369-F379 HydrophobicContact CB-CE1 3.57Å; K369-F379 HydrophobicContact CB-CE2 3.93Å; K369-F379 HydrophobicContact CB-CG 3.7Å; K369-F379 HydrophobicContact CB-CZ 3.77Å; K369-F379 HydrophobicContact CD-CD1 3.79Å; K369-F379 HydrophobicContact CD-CE1 3.81Å; K369-F379 HydrophobicContact CG-CB 4.33Å; K369-F379 HydrophobicContact CG-CD1 3.44Å; K369-F379 VanDerWaalsContact CG-CD1 3.44Å; K369-F379 HydrophobicContact CG-CE1 3.8Å; K369-F379 HydrophobicContact CG-CG 3.85Å; K369-F379 HydrophobicContact CG-CZ 4.49Å |
| 370 | T | 96.6 | Very high | 97 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | -178.1 | -41.7 | 0 | 0 | 0 | 0 | 112.1 | K366 I367 H374 Y456 H459 | K366-T370 PolarHBondContact O-N 2.93Å; K366-T370 PolarHBondContact O-OG1 3.33Å; I367-T370 PolarHBondContact O-N 3.1Å; T370-H374 VanDerWaalsContact O-CB 3.3Å; T370-H374 WeakPolarHBondContact O-CB 3.31Å; T370-H374 PolarHBondContact O-N 2.81Å; T370-Y456 WeakPolarHBondContact CG2-O 3.32Å; T370-H459 PolarHBondContact OG1-CE1 3.33Å; T370-H459 VanDerWaalsContact OG1-CE1 3.26Å; T370-H459 PolarHBondContact OG1-NE2 2.86Å |
| 371 | I | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 172.5 | -67.6 | 166.3 | 0 | 0 | 0 | 110 | W338 I367 K369 E373 H374 E375 I452 Y456 | W338-I371 HydrophobicContact CB-CD1 4.39Å; I367-I371 HydrophobicContact CD1-CD1 4.37Å; I367-I371 HydrophobicContact CD1-CG1 4.38Å; I367-I371 HydrophobicContact CG1-CD1 3.98Å; I367-I371 HydrophobicContact CG1-CG1 4.45Å; I367-I371 VanDerWaalsContact O-CG1 3.32Å; I367-I371 WeakPolarHBondContact O-CG1 3.5Å; I367-I371 PolarHBondContact O-N 3.45Å; K369-I371 PolarHBondContact O-N 3.06Å; I371-E373 PolarHBondContact O-N 3.19Å; I371-H374 PolarHBondContact O-N 2.51Å; I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact O-CB 3.47Å; I371-E375 VanDerWaalsContact O-CG 3.28Å; I371-E375 WeakPolarHBondContact O-CG 3.21Å; I371-E375 PolarHBondContact O-N 2.88Å; I371-I452 HydrophobicContact CD1-CG2 4.45Å; I371-Y456 HydrophobicContact CB-CD1 4.31Å; I371-Y456 HydrophobicContact CB-CE1 4.31Å; I371-Y456 HydrophobicContact CD1-CD2 4.43Å; I371-Y456 HydrophobicContact CG1-CD1 3.85Å; I371-Y456 HydrophobicContact CG1-CD2 3.74Å; I371-Y456 HydrophobicContact CG1-CE1 4.07Å; I371-Y456 HydrophobicContact CG1-CE2 3.99Å; I371-Y456 HydrophobicContact CG1-CG 3.67Å; I371-Y456 HydrophobicContact CG2-CE1 4.33Å |
| 372 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V358 L368 K369 H374 E375 G376 F377 F379 | V358-A372 HydrophobicContact CG2-CB 3.54Å; L368-A372 VanDerWaalsContact O-CB 3.27Å; L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.31Å; K369-A372 WeakPolarHBondContact O-CB 3.28Å; K369-A372 PolarHBondContact O-N 3.38Å; A372-H374 VanDerWaalsContact C-N 3.35Å; A372-H374 PolarHBondContact O-N 3.42Å; A372-E375 PolarHBondContact O-N 3.12Å; A372-G376 CarbonylContact O-C 3.54Å; A372-G376 PolarHBondContact O-N 2.86Å; A372-F377 HydrophobicContact CB-CB 4.01Å; A372-F377 PolarHBondContact O-N 3.15Å; A372-F379 HydrophobicContact CB-CB 3.8Å |
| 373 | E | 96.3 | Very high | 96.8 | Very high | 120 Ų | 120 | 32.7 Ų | 32.7 | 56% | 0.561 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -61.9 | -42.2 | 178.8 | -72.3 | 173.9 | 166.6 | 0 | 0 | 111.7 | K369 I371 | K369-E373 WeakPolarHBondContact CE-OE1 3.47Å; K369-E373 HydrophobicContact CG-CG 4.37Å; K369-E373 IonicContact NZ-OE1 3.25Å; K369-E373 WeakPolarHBondContact O-CG 3.17Å; K369-E373 PolarHBondContact O-N 3.48Å; I371-E373 PolarHBondContact O-N 3.19Å |
| 374 | H | 95.5 | Very high | 96.6 | Very high | 113 Ų | 113 | 34.3 Ų | 34.3 | 52% | 0.523 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 176.4 | -176.1 | -86.9 | 0 | 0 | 0 | 112.5 | T370 I371 A372 Y456 | T370-H374 VanDerWaalsContact O-CB 3.3Å; T370-H374 WeakPolarHBondContact O-CB 3.31Å; T370-H374 PolarHBondContact O-N 2.81Å; I371-H374 PolarHBondContact O-N 2.51Å; A372-H374 VanDerWaalsContact C-N 3.35Å; A372-H374 PolarHBondContact O-N 3.42Å; H374-Y456 HydrophobicContact CB-CD1 3.77Å; H374-Y456 HydrophobicContact CB-CE1 3.74Å; H374-Y456 AromaticContact CG-CD1 3.89Å; H374-Y456 AromaticContact CG-CE1 3.64Å; H374-Y456 AromaticContact ND1-CE1 3.44Å; H374-Y456 WeakPolarHBondContact ND1-CE1 3.4Å |
| 375 | E | 95.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -85.2 | -8.7 | -177.5 | -61.1 | -52.5 | 141.7 | 0 | 0 | 114 | K345 I371 A372 F377 Y456 | K345-E375 HydrophobicContact CD-CB 4.36Å; K345-E375 WeakPolarHBondContact CD-OE2 3.41Å; K345-E375 IonicContact NZ-OE2 2.88Å; K345-E375 PolarHBondContact NZ-OE2 3.03Å; I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact O-CB 3.47Å; I371-E375 VanDerWaalsContact O-CG 3.28Å; I371-E375 WeakPolarHBondContact O-CG 3.21Å; I371-E375 PolarHBondContact O-N 2.88Å; A372-E375 PolarHBondContact O-N 3.12Å; E375-F377 HydrophobicContact CB-CD2 4.27Å; E375-F377 HydrophobicContact CB-CE2 4.3Å; E375-Y456 HydrophobicContact CG-CE1 4.4Å; E375-Y456 WeakPolarHBondContact OE1-CE1 3.39Å; E375-Y456 PolarHBondContact OE1-OH 3.48Å |
| 376 | G | 97.1 | Very high | 96.1 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 12.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P353 S354 A372 | P353-G376 CarbonylContact C-O 3.58Å; P353-G376 VanDerWaalsContact CB-O 3.28Å; P353-G376 WeakPolarHBondContact CB-O 3.48Å; S354-G376 PolarHBondContact N-O 3.24Å; A372-G376 CarbonylContact O-C 3.54Å; A372-G376 PolarHBondContact O-N 2.86Å |
| 377 | F | 98.2 | Very high | 96 | Very high | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -80.8 | 157.2 | 176.3 | -59.3 | -25.6 | 0 | 0 | 0 | 112.4 | S341 W344 K345 P353 V356 A372 E375 I404 | S341-F377 VanDerWaalsContact CB-CE2 3.49Å; S341-F377 WeakPolarHBondContact OG-CE2 2.83Å; W344-F377 HydrophobicContact CD2-CZ 4.38Å; W344-F377 AromaticContact CE3-CE1 3.68Å; W344-F377 HydrophobicContact CE3-CE1 3.68Å; W344-F377 AromaticContact CE3-CZ 3.68Å; W344-F377 HydrophobicContact CE3-CZ 3.68Å; W344-F377 AromaticContact CZ3-CE1 3.78Å; W344-F377 HydrophobicContact CZ3-CE1 3.78Å; W344-F377 HydrophobicContact CZ3-CZ 4.26Å; K345-F377 HydrophobicContact CD-CZ 4.22Å; K345-F377 HydrophobicContact CG-CE1 4.26Å; K345-F377 HydrophobicContact CG-CZ 3.91Å; P353-F377 HydrophobicContact CB-CD1 3.67Å; P353-F377 HydrophobicContact CB-CE1 3.88Å; P353-F377 WeakPolarHBondContact O-CD1 3.37Å; V356-F377 HydrophobicContact CB-CD1 3.85Å; V356-F377 HydrophobicContact CB-CE1 4.17Å; V356-F377 HydrophobicContact CB-CG 4.32Å; V356-F377 HydrophobicContact CG1-CD1 4.17Å; V356-F377 HydrophobicContact CG1-CE1 4.3Å; V356-F377 HydrophobicContact CG1-CG 4.32Å; V356-F377 HydrophobicContact CG2-CD1 4.46Å; V356-F377 HydrophobicContact CG2-CE1 4.39Å; A372-F377 HydrophobicContact CB-CB 4.01Å; A372-F377 PolarHBondContact O-N 3.15Å; E375-F377 HydrophobicContact CB-CD2 4.27Å; E375-F377 HydrophobicContact CB-CE2 4.3Å; F377-I404 HydrophobicContact CD2-CD1 4.39Å; F377-I404 HydrophobicContact CE2-CD1 3.88Å; F377-I404 HydrophobicContact CZ-CD1 4.38Å | ||
| 378 | R | 98.1 | Very high | 95.9 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 39% | 0.389 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 131.2 | 168.6 | -172 | 178.6 | -175.7 | 104.2 | 2.6 | 109.4 | V356 A357 V358 E380 | V356-R378 WeakPolarHBondContact O-CB 3.27Å; V356-R378 PolarHBondContact O-N 3.27Å; A357-R378 CarbonylContact C-O 3.48Å; A357-R378 VanDerWaalsContact CA-O 3.25Å; A357-R378 WeakPolarHBondContact CA-O 3.4Å; A357-R378 HydrophobicContact CB-CB 4.21Å; V358-R378 PolarHBondContact N-O 3.48Å; R378-E380 HydrophobicContact CG-CG 4.32Å; R378-E380 IonicContact CZ-OE1 3.4Å; R378-E380 IonicContact NE-OE1 3.72Å; R378-E380 PolarHBondContact NE-OE1 2.78Å; R378-E380 IonicContact NH2-OE1 3.87Å; R378-E380 PolarHBondContact NH2-OE1 3.09Å |
| 379 | F | 98.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | 167.9 | 174.3 | -101 | 0 | 0 | 0 | 110 | V358 S360 L368 K369 A372 E381 | V358-F379 HydrophobicContact CG2-CD2 4.33Å; V358-F379 WeakPolarHBondContact O-CA 3.41Å; S360-F379 WeakPolarHBondContact OG-CE2 3.18Å; S360-F379 WeakPolarHBondContact OG-CZ 3.35Å; L368-F379 HydrophobicContact CB-CE2 4.4Å; L368-F379 HydrophobicContact CG-CD2 4.48Å; L368-F379 HydrophobicContact CG-CE2 4.5Å; K369-F379 HydrophobicContact CB-CB 4.49Å; K369-F379 HydrophobicContact CB-CD1 3.55Å; K369-F379 HydrophobicContact CB-CD2 3.89Å; K369-F379 HydrophobicContact CB-CE1 3.57Å; K369-F379 HydrophobicContact CB-CE2 3.93Å; K369-F379 HydrophobicContact CB-CG 3.7Å; K369-F379 HydrophobicContact CB-CZ 3.77Å; K369-F379 HydrophobicContact CD-CD1 3.79Å; K369-F379 HydrophobicContact CD-CE1 3.81Å; K369-F379 HydrophobicContact CG-CB 4.33Å; K369-F379 HydrophobicContact CG-CD1 3.44Å; K369-F379 VanDerWaalsContact CG-CD1 3.44Å; K369-F379 HydrophobicContact CG-CE1 3.8Å; K369-F379 HydrophobicContact CG-CG 3.85Å; K369-F379 HydrophobicContact CG-CZ 4.49Å; A372-F379 HydrophobicContact CB-CB 3.8Å; F379-E381 HydrophobicContact CE1-CG 3.47Å; F379-E381 VanDerWaalsContact CE1-CG 3.47Å; F379-E381 HydrophobicContact CZ-CG 3.69Å |
| 380 | E | 97.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141 | 169.6 | -66.1 | -168.9 | 173.6 | 0 | 0 | 111.9 | V358 L359 S360 R378 R392 | V358-E380 PolarHBondContact O-N 2.92Å; L359-E380 VanDerWaalsContact CA-O 3.27Å; L359-E380 WeakPolarHBondContact CA-O 3.36Å; L359-E380 HydrophobicContact CG-CB 4.4Å; S360-E380 PolarHBondContact N-O 3.41Å; R378-E380 HydrophobicContact CG-CG 4.32Å; R378-E380 IonicContact CZ-OE1 3.4Å; R378-E380 IonicContact NE-OE1 3.72Å; R378-E380 PolarHBondContact NE-OE1 2.78Å; R378-E380 IonicContact NH2-OE1 3.87Å; R378-E380 PolarHBondContact NH2-OE1 3.09Å; E380-R392 VanDerWaalsContact CD-NH2 3.29Å; E380-R392 IonicContact OE1-CZ 2.59Å; E380-R392 IonicContact OE1-NH2 3.13Å; E380-R392 PolarHBondContact OE1-NH2 3.19Å; E380-R392 IonicContact OE2-CZ 3.32Å; E380-R392 IonicContact OE2-NE 3.93Å; E380-R392 PolarHBondContact OE2-NE 3Å; E380-R392 IonicContact OE2-NH2 3.54Å; E380-R392 PolarHBondContact OE2-NH2 3.34Å |
| 381 | E | 96.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 149 | 170.1 | -57.4 | -167 | 110.7 | 0 | 0 | 110.8 | S360 T362 K366 F379 R506 L523 | S360-E381 VanDerWaalsContact O-CA 3.29Å; S360-E381 WeakPolarHBondContact O-CA 3.33Å; T362-E381 HydrophobicContact CG2-CB 4.09Å; K366-E381 WeakPolarHBondContact CE-OE1 3.45Å; K366-E381 IonicContact NZ-OE1 3.95Å; K366-E381 PolarHBondContact NZ-OE1 2.86Å; F379-E381 HydrophobicContact CE1-CG 3.47Å; F379-E381 VanDerWaalsContact CE1-CG 3.47Å; F379-E381 HydrophobicContact CZ-CG 3.69Å; E381-R506 IonicContact OE2-CZ 3.76Å; E381-R506 IonicContact OE2-NH1 3.34Å; E381-R506 PolarHBondContact OE2-NH1 2.89Å; E381-R506 IonicContact OE2-NH2 3.56Å; E381-R506 PolarHBondContact OE2-NH2 2.82Å; E381-L523 VanDerWaalsContact O-CD2 3.32Å; E381-L523 WeakPolarHBondContact O-CD2 3.23Å |
| 382 | T | 96.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 165 | 162.6 | 75.1 | 0 | 0 | 0 | 0 | 111 | L359 S360 S361 T362 W388 L389 R392 | L359-T382 HydrophobicContact CD2-CG2 4.34Å; S360-T382 PolarHBondContact O-N 2.93Å; S361-T382 CarbonylContact C-O 3.49Å; S361-T382 VanDerWaalsContact CA-O 3.28Å; S361-T382 WeakPolarHBondContact CA-O 3.48Å; T362-T382 WeakPolarHBondContact CG2-O 3.21Å; T362-T382 PolarHBondContact N-O 3.14Å; T382-W388 HydrophobicContact CG2-CB 4.36Å; T382-W388 WeakPolarHBondContact OG1-CB 3.27Å; T382-L389 HydrophobicContact CG2-CD2 3.98Å; T382-L389 WeakPolarHBondContact OG1-CD2 3.32Å; T382-L389 WeakPolarHBondContact OG1-CG 3.39Å; T382-R392 HydrophobicContact CG2-CB 3.9Å; T382-R392 HydrophobicContact CG2-CG 4.13Å |
| 383 | L | 93.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | trans | -56.1 | 155.9 | 166.2 | -71.5 | 179.8 | 0 | 0 | 0 | 110.9 | W388 L508 P524 L531 | L383-W388 VanDerWaalsContact CB-CD1 3.43Å; L383-W388 HydrophobicContact CB-CD2 4.23Å; L383-W388 HydrophobicContact CB-CG 3.92Å; L383-W388 HydrophobicContact CD1-CZ2 3.82Å; L383-W388 VanDerWaalsContact O-CD1 3.27Å; L383-L508 HydrophobicContact CD2-CD1 3.44Å; L383-L508 VanDerWaalsContact CD2-CD1 3.44Å; L383-P524 HydrophobicContact CD1-CB 3.86Å; L383-P524 HydrophobicContact CD1-CG 4.09Å; L383-L531 HydrophobicContact CD2-CD1 4.2Å | ||
| 384 | T | 89.9 | Confident | 95.9 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -60.4 | 137.9 | 174.3 | -48.7 | 0 | 0 | 0 | 0 | 112.1 | V363 E408 R545 | V363-T384 HydrophobicContact CG2-CG2 4.23Å; V363-T384 WeakPolarHBondContact CG2-OG1 3.35Å; T384-E408 VanDerWaalsContact CA-OE1 3.3Å; T384-E408 WeakPolarHBondContact CA-OE1 3.18Å; T384-E408 WeakPolarHBondContact CG2-OE1 3.22Å; T384-R545 PolarHBondContact OG1-NH1 3.43Å |
| 385 | G | 90.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 112.3 | 124.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K387 W388 E408 | G385-K387 PolarHBondContact O-N 3.09Å; G385-W388 PolarHBondContact O-N 3.01Å; G385-E408 PolarHBondContact N-OE1 3.43Å |
| 386 | F | 93.3 | Very high | 96 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.1 | -17.8 | 175.4 | -95.3 | -91.3 | 0 | 0 | 0 | 115.4 | W388 L389 G390 A406 E408 G412 M414 D421 K422 | F386-W388 PolarHBondContact O-N 2.88Å; F386-L389 HydrophobicContact CD1-CB 4.09Å; F386-L389 HydrophobicContact CD1-CD1 3.98Å; F386-L389 HydrophobicContact CD2-CD1 4.12Å; F386-L389 HydrophobicContact CE1-CB 4.38Å; F386-L389 HydrophobicContact CE1-CD1 3.82Å; F386-L389 HydrophobicContact CE2-CD1 4Å; F386-L389 HydrophobicContact CG-CD1 4.13Å; F386-L389 HydrophobicContact CZ-CD1 3.85Å; F386-L389 PolarHBondContact O-N 2.74Å; F386-G390 PolarHBondContact O-N 2.95Å; F386-A406 HydrophobicContact CE1-CB 4.46Å; F386-E408 HydrophobicContact CD2-CG 3.83Å; F386-E408 WeakPolarHBondContact CD2-OE2 3.24Å; F386-E408 HydrophobicContact CE2-CB 3.99Å; F386-E408 HydrophobicContact CE2-CG 3.54Å; F386-E408 HydrophobicContact CZ-CG 4.42Å; F386-G412 WeakPolarHBondContact CE2-O 3.46Å; F386-G412 WeakPolarHBondContact CZ-O 3.41Å; F386-M414 HydrophobicContact CD1-CB 4.44Å; F386-M414 HydrophobicContact CE1-CB 3.56Å; F386-M414 HydrophobicContact CE1-SD 4.48Å; F386-M414 HydrophobicContact CZ-CB 4.33Å; F386-D421 WeakPolarHBondContact CB-OD1 3.32Å; F386-K422 HydrophobicContact CD1-CB 4.23Å; F386-K422 HydrophobicContact CD2-CB 3.83Å; F386-K422 HydrophobicContact CD2-CD 3.91Å; F386-K422 HydrophobicContact CD2-CG 4.13Å; F386-K422 HydrophobicContact CE1-CB 4.16Å; F386-K422 HydrophobicContact CE2-CB 3.72Å; F386-K422 HydrophobicContact CE2-CD 4.25Å; F386-K422 HydrophobicContact CE2-CG 4.44Å; F386-K422 HydrophobicContact CG-CB 4.06Å; F386-K422 HydrophobicContact CG-CG 4.35Å; F386-K422 HydrophobicContact CZ-CB 3.89Å |
| 387 | K | 93.7 | Very high | 96 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -50.7 | -38.6 | 165.8 | 74 | -171.5 | -175.3 | -158 | 0 | 111.7 | T49 Q167 I169 G385 N391 | T49-K387 VanDerWaalsContact O-CD 3.28Å; T49-K387 WeakPolarHBondContact O-CD 3.35Å; T49-K387 PolarHBondContact OG1-NZ 3.3Å; Q167-K387 HydrophobicContact CB-CB 3.69Å; I169-K387 HydrophobicContact CG2-CB 4.01Å; I169-K387 HydrophobicContact CG2-CD 4.12Å; I169-K387 HydrophobicContact CG2-CG 3.96Å; G385-K387 PolarHBondContact O-N 3.09Å; K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.45Å; K387-N391 PolarHBondContact O-N 3.35Å; K387-N391 PolarHBondContact O-ND2 2.99Å |
| 388 | W | 95.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.9 | -45.2 | 179.5 | -59.2 | 113.4 | 0 | 0 | 0 | 111.7 | I169 T382 L383 G385 F386 R392 P524 | I169-W388 HydrophobicContact CG2-CE3 4.38Å; I169-W388 HydrophobicContact CG2-CZ3 4.35Å; T382-W388 HydrophobicContact CG2-CB 4.36Å; T382-W388 WeakPolarHBondContact OG1-CB 3.27Å; L383-W388 VanDerWaalsContact CB-CD1 3.43Å; L383-W388 HydrophobicContact CB-CD2 4.23Å; L383-W388 HydrophobicContact CB-CG 3.92Å; L383-W388 HydrophobicContact CD1-CZ2 3.82Å; L383-W388 VanDerWaalsContact O-CD1 3.27Å; G385-W388 PolarHBondContact O-N 3.01Å; F386-W388 PolarHBondContact O-N 2.88Å; W388-R392 WeakPolarHBondContact O-CB 3.48Å; W388-R392 PolarHBondContact O-N 3.36Å; W388-P524 HydrophobicContact CE3-CG 4.11Å; W388-P524 HydrophobicContact CH2-CB 3.99Å; W388-P524 HydrophobicContact CH2-CG 3.79Å; W388-P524 HydrophobicContact CZ2-CG 4.44Å; W388-P524 HydrophobicContact CZ3-CB 4.3Å; W388-P524 HydrophobicContact CZ3-CG 3.6Å |
| 389 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 178.4 | -65.7 | 169.3 | 0 | 0 | 0 | 111.8 | L359 T382 F386 S393 A406 E408 | L359-L389 HydrophobicContact CB-CD2 3.67Å; L359-L389 HydrophobicContact CD2-CD2 4.42Å; T382-L389 HydrophobicContact CG2-CD2 3.98Å; T382-L389 WeakPolarHBondContact OG1-CD2 3.32Å; T382-L389 WeakPolarHBondContact OG1-CG 3.39Å; F386-L389 HydrophobicContact CD1-CB 4.09Å; F386-L389 HydrophobicContact CD1-CD1 3.98Å; F386-L389 HydrophobicContact CD2-CD1 4.12Å; F386-L389 HydrophobicContact CE1-CB 4.38Å; F386-L389 HydrophobicContact CE1-CD1 3.82Å; F386-L389 HydrophobicContact CE2-CD1 4Å; F386-L389 HydrophobicContact CG-CD1 4.13Å; F386-L389 HydrophobicContact CZ-CD1 3.85Å; F386-L389 PolarHBondContact O-N 2.74Å; L389-S393 WeakPolarHBondContact O-CB 3.27Å; L389-S393 PolarHBondContact O-N 2.81Å; L389-S393 PolarHBondContact O-OG 2.99Å; L389-A406 HydrophobicContact CB-CB 4.2Å; L389-A406 HydrophobicContact CD1-CB 4.3Å; L389-A406 HydrophobicContact CD2-CB 4.22Å; L389-A406 HydrophobicContact CG-CB 4.48Å; L389-E408 HydrophobicContact CD1-CG 3.69Å |
| 390 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -50 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C166 F386 R392 S393 C394 | C166-G390 PolarHBondContact SG-O 3.35Å; F386-G390 PolarHBondContact O-N 2.95Å; G390-R392 VanDerWaalsContact C-N 3.31Å; G390-R392 PolarHBondContact O-N 3.45Å; G390-S393 WeakPolarHBondContact O-CB 3.42Å; G390-S393 PolarHBondContact O-N 3.01Å; G390-S393 VanDerWaalsContact O-N 3.16Å; G390-C394 PolarHBondContact O-N 2.82Å; G390-C394 PolarHBondContact O-SG 3.47Å |
| 391 | N | 96.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.4 | -80.3 | -76.2 | 0 | 0 | 0 | 111.6 | N164 C166 Q167 I169 K387 S393 C394 E395 | N164-N391 PolarHBondContact ND2-OD1 3.37Å; C166-N391 WeakPolarHBondContact CB-ND2 3.2Å; Q167-N391 PolarHBondContact O-ND2 2.93Å; Q167-N391 VanDerWaalsContact O-ND2 3.11Å; I169-N391 HydrophobicContact CD1-CB 4.24Å; K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.45Å; K387-N391 PolarHBondContact O-N 3.35Å; K387-N391 PolarHBondContact O-ND2 2.99Å; N391-S393 VanDerWaalsContact C-N 3.3Å; N391-S393 PolarHBondContact O-N 2.92Å; N391-C394 WeakPolarHBondContact O-CB 3.18Å; N391-C394 PolarHBondContact O-N 2.82Å; N391-E395 WeakPolarHBondContact O-CG 3.16Å; N391-E395 PolarHBondContact O-N 2.7Å |
| 392 | R | 97.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 176 | -173.8 | 55.5 | -178.6 | 162.3 | 5.8 | 112.3 | L359 E380 T382 W388 G390 C394 E395 L396 | L359-R392 HydrophobicContact CD2-CB 3.95Å; L359-R392 HydrophobicContact CD2-CG 3.77Å; E380-R392 VanDerWaalsContact CD-NH2 3.29Å; E380-R392 IonicContact OE1-CZ 2.59Å; E380-R392 IonicContact OE1-NH2 3.13Å; E380-R392 PolarHBondContact OE1-NH2 3.19Å; E380-R392 IonicContact OE2-CZ 3.32Å; E380-R392 IonicContact OE2-NE 3.93Å; E380-R392 PolarHBondContact OE2-NE 3Å; E380-R392 IonicContact OE2-NH2 3.54Å; E380-R392 PolarHBondContact OE2-NH2 3.34Å; T382-R392 HydrophobicContact CG2-CB 3.9Å; T382-R392 HydrophobicContact CG2-CG 4.13Å; W388-R392 WeakPolarHBondContact O-CB 3.48Å; W388-R392 PolarHBondContact O-N 3.36Å; G390-R392 VanDerWaalsContact C-N 3.31Å; G390-R392 PolarHBondContact O-N 3.45Å; R392-C394 VanDerWaalsContact C-N 3.33Å; R392-C394 PolarHBondContact O-N 2.98Å; R392-E395 VanDerWaalsContact CD-OE2 3.25Å; R392-E395 WeakPolarHBondContact CD-OE2 3.45Å; R392-E395 IonicContact CZ-OE2 2.95Å; R392-E395 IonicContact NE-OE2 3.69Å; R392-E395 IonicContact NH1-OE2 2.99Å; R392-E395 PolarHBondContact NH1-OE2 3.47Å; R392-E395 WeakPolarHBondContact O-CB 3.22Å; R392-E395 PolarHBondContact O-N 2.66Å; R392-L396 HydrophobicContact CG-CD1 4.29Å; R392-L396 HydrophobicContact CG-CG 4.47Å; R392-L396 WeakPolarHBondContact O-CG 3.18Å; R392-L396 PolarHBondContact O-N 3.49Å |
| 393 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | L389 G390 N391 L396 E397 W420 | L389-S393 WeakPolarHBondContact O-CB 3.27Å; L389-S393 PolarHBondContact O-N 2.81Å; L389-S393 PolarHBondContact O-OG 2.99Å; G390-S393 WeakPolarHBondContact O-CB 3.42Å; G390-S393 PolarHBondContact O-N 3.01Å; G390-S393 VanDerWaalsContact O-N 3.16Å; N391-S393 VanDerWaalsContact C-N 3.3Å; N391-S393 PolarHBondContact O-N 2.92Å; S393-L396 PolarHBondContact O-N 3.16Å; S393-E397 WeakPolarHBondContact O-CB 3.35Å; S393-E397 PolarHBondContact O-N 3.2Å; S393-W420 VanDerWaalsContact CB-CE3 3.41Å |
| 394 | C | 96.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 170.4 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | C166 G390 N391 R392 E397 S398 | C166-C394 VanDerWaalsContact SG-SG 3.68Å; G390-C394 PolarHBondContact O-N 2.82Å; G390-C394 PolarHBondContact O-SG 3.47Å; N391-C394 WeakPolarHBondContact O-CB 3.18Å; N391-C394 PolarHBondContact O-N 2.82Å; R392-C394 VanDerWaalsContact C-N 3.33Å; R392-C394 PolarHBondContact O-N 2.98Å; C394-E397 PolarHBondContact O-N 2.95Å; C394-S398 PolarHBondContact O-N 2.87Å; C394-S398 VanDerWaalsContact O-N 3.11Å |
| 395 | E | 96.7 | Very high | 96.6 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.6 | -69 | 170.4 | -168.1 | 0 | 0 | 111.6 | N391 R392 S398 Q399 | N391-E395 WeakPolarHBondContact O-CG 3.16Å; N391-E395 PolarHBondContact O-N 2.7Å; R392-E395 VanDerWaalsContact CD-OE2 3.25Å; R392-E395 WeakPolarHBondContact CD-OE2 3.45Å; R392-E395 IonicContact CZ-OE2 2.95Å; R392-E395 IonicContact NE-OE2 3.69Å; R392-E395 IonicContact NH1-OE2 2.99Å; R392-E395 PolarHBondContact NH1-OE2 3.47Å; R392-E395 WeakPolarHBondContact O-CB 3.22Å; R392-E395 PolarHBondContact O-N 2.66Å; E395-S398 WeakPolarHBondContact O-CB 3.47Å; E395-S398 PolarHBondContact O-N 3.37Å; E395-S398 PolarHBondContact O-OG 2.86Å; E395-Q399 WeakPolarHBondContact O-CG 3.22Å; E395-Q399 PolarHBondContact O-N 2.69Å |
| 396 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 175.7 | -70.9 | 173.6 | 0 | 0 | 0 | 111.5 | A357 L359 R392 S393 S398 Q399 N400 I401 | A357-L396 HydrophobicContact CB-CD1 3.83Å; L359-L396 HydrophobicContact CD1-CD1 3.93Å; L359-L396 HydrophobicContact CD2-CD1 4.19Å; L359-L396 HydrophobicContact CG-CD1 4.45Å; R392-L396 HydrophobicContact CG-CD1 4.29Å; R392-L396 HydrophobicContact CG-CG 4.47Å; R392-L396 WeakPolarHBondContact O-CG 3.18Å; R392-L396 PolarHBondContact O-N 3.49Å; S393-L396 PolarHBondContact O-N 3.16Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 2.98Å; L396-Q399 CarbonylContact O-C 3.58Å; L396-Q399 WeakPolarHBondContact O-CA 3.12Å; L396-Q399 WeakPolarHBondContact O-CB 3.24Å; L396-Q399 PolarHBondContact O-N 2.8Å; L396-N400 PolarHBondContact O-N 3.36Å; L396-I401 CarbonylContact C-O 3.58Å; L396-I401 HydrophobicContact CB-CB 4.02Å; L396-I401 HydrophobicContact CB-CG2 4.23Å; L396-I401 HydrophobicContact CD2-CB 4.18Å; L396-I401 HydrophobicContact CD2-CD1 3.8Å; L396-I401 HydrophobicContact CD2-CG2 4.13Å; L396-I401 WeakPolarHBondContact O-CA 3.22Å; L396-I401 WeakPolarHBondContact O-CB 3.38Å; L396-I401 PolarHBondContact O-N 3Å |
| 397 | E | 96.5 | Very high | 97.2 | Very high | 87 Ų | 87 | 39 Ų | 39 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 174.6 | -175.2 | 175.5 | -122.7 | 0 | 0 | 111.1 | R136 S393 C394 Q399 N400 I401 | R136-E397 IonicContact NH2-OE1 2.65Å; R136-E397 IonicContact NH2-OE2 2.95Å; S393-E397 WeakPolarHBondContact O-CB 3.35Å; S393-E397 PolarHBondContact O-N 3.2Å; C394-E397 PolarHBondContact O-N 2.95Å; E397-Q399 PolarHBondContact O-N 3.16Å; E397-N400 PolarHBondContact O-N 3.41Å; E397-I401 PolarHBondContact N-O 2.92Å |
| 398 | S | 96.3 | Very high | 97.4 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 66% | 0.664 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.8 | -19.4 | 175.6 | 80.3 | 0 | 0 | 0 | 0 | 114.2 | C394 E395 L396 | C394-S398 PolarHBondContact O-N 2.87Å; C394-S398 VanDerWaalsContact O-N 3.11Å; E395-S398 WeakPolarHBondContact O-CB 3.47Å; E395-S398 PolarHBondContact O-N 3.37Å; E395-S398 PolarHBondContact O-OG 2.86Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 2.98Å |
| 399 | Q | 96.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 9.9 | 175.7 | -63.7 | 167.5 | 25.4 | 0 | 0 | 112.2 | E395 L396 E397 I401 | E395-Q399 WeakPolarHBondContact O-CG 3.22Å; E395-Q399 PolarHBondContact O-N 2.69Å; L396-Q399 CarbonylContact O-C 3.58Å; L396-Q399 WeakPolarHBondContact O-CA 3.12Å; L396-Q399 WeakPolarHBondContact O-CB 3.24Å; L396-Q399 PolarHBondContact O-N 2.8Å; E397-Q399 PolarHBondContact O-N 3.16Å; Q399-I401 HydrophobicContact CB-CD1 4.24Å; Q399-I401 HydrophobicContact CB-CG1 4.36Å; Q399-I401 PolarHBondContact O-N 2.83Å |
| 400 | N | 96.2 | Very high | 97.2 | Very high | 144 Ų | 144 | 38.4 Ų | 38.4 | 77% | 0.77 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 28.6 | -172.8 | -54.8 | -68.8 | 0 | 0 | 0 | 113.8 | L396 E397 | L396-N400 PolarHBondContact O-N 3.36Å; E397-N400 PolarHBondContact O-N 3.41Å |
| 401 | I | 97.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | trans | -103.2 | 117.4 | 173.6 | -60.2 | 170.2 | 0 | 0 | 0 | 108.4 | S355 A357 L396 E397 Q399 T403 | S355-I401 CarbonylContact O-C 3.48Å; S355-I401 WeakPolarHBondContact O-CA 3.46Å; A357-I401 HydrophobicContact CB-CG2 3.66Å; L396-I401 CarbonylContact C-O 3.58Å; L396-I401 HydrophobicContact CB-CB 4.02Å; L396-I401 HydrophobicContact CB-CG2 4.23Å; L396-I401 HydrophobicContact CD2-CB 4.18Å; L396-I401 HydrophobicContact CD2-CD1 3.8Å; L396-I401 HydrophobicContact CD2-CG2 4.13Å; L396-I401 WeakPolarHBondContact O-CA 3.22Å; L396-I401 WeakPolarHBondContact O-CB 3.38Å; L396-I401 PolarHBondContact O-N 3Å; E397-I401 PolarHBondContact N-O 2.92Å; Q399-I401 HydrophobicContact CB-CD1 4.24Å; Q399-I401 HydrophobicContact CB-CG1 4.36Å; Q399-I401 PolarHBondContact O-N 2.83Å; I401-T403 PolarHBondContact O-N 2.97Å | ||
| 402 | K | 97.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.6 | -178.1 | -172 | -175.4 | -175.8 | 78.4 | 0 | 110.4 | S355 V356 A357 I404 D417 | S355-K402 PolarHBondContact O-N 2.95Å; V356-K402 CarbonylContact C-O 2.96Å; V356-K402 WeakPolarHBondContact CA-O 3.31Å; A357-K402 PolarHBondContact N-O 3.24Å; K402-I404 HydrophobicContact CD-CG2 4.14Å; K402-I404 HydrophobicContact CG-CG2 4.22Å; K402-D417 IonicContact NZ-OD2 2.64Å; K402-D417 PolarHBondContact NZ-OD2 3.05Å |
| 403 | T | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122.2 | 168.4 | -60.1 | 0 | 0 | 0 | 0 | 110 | A357 L359 I401 M414 W420 | A357-T403 WeakPolarHBondContact O-CA 3.4Å; L359-T403 HydrophobicContact CD1-CG2 3.54Å; I401-T403 PolarHBondContact O-N 2.97Å; T403-M414 HydrophobicContact CG2-CE 3.72Å; T403-W420 HydrophobicContact CG2-CZ3 4.33Å |
| 404 | I | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -20.2 | 179 | 63.1 | 166.2 | 0 | 0 | 0 | 113 | W344 V356 A357 V358 F377 K402 G416 | W344-I404 HydrophobicContact CB-CD1 4.1Å; W344-I404 HydrophobicContact CG-CD1 4.22Å; W344-I404 HydrophobicContact CG-CG2 4.32Å; V356-I404 HydrophobicContact CG1-CB 4.25Å; V356-I404 HydrophobicContact CG1-CD1 3.7Å; V356-I404 HydrophobicContact CG1-CG1 3.67Å; V356-I404 HydrophobicContact CG1-CG2 3.65Å; A357-I404 PolarHBondContact O-N 2.89Å; V358-I404 HydrophobicContact CG1-CD1 4.09Å; V358-I404 HydrophobicContact CG1-CG1 3.65Å; F377-I404 HydrophobicContact CD2-CD1 4.39Å; F377-I404 HydrophobicContact CE2-CD1 3.88Å; F377-I404 HydrophobicContact CZ-CD1 4.38Å; K402-I404 HydrophobicContact CD-CG2 4.14Å; K402-I404 HydrophobicContact CG-CG2 4.22Å; I404-G416 WeakPolarHBondContact O-CA 3.34Å; I404-G416 PolarHBondContact O-N 3.31Å |
| 405 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 138 | 179.6 | -175 | -130.5 | 0 | 0 | 0 | 111.4 | F336 L340 V358 L359 L368 F407 F413 M414 | F336-F405 HydrophobicContact CB-CD2 4.38Å; F336-F405 HydrophobicContact CB-CE1 3.88Å; F336-F405 HydrophobicContact CB-CE2 3.62Å; F336-F405 HydrophobicContact CB-CZ 3.32Å; F336-F405 HydrophobicContact CD2-CE2 4.35Å; F336-F405 HydrophobicContact CD2-CZ 4.19Å; F336-F405 HydrophobicContact CG-CE2 4.09Å; F336-F405 HydrophobicContact CG-CZ 4.07Å; L340-F405 HydrophobicContact CD1-CB 3.76Å; L340-F405 HydrophobicContact CD1-CD2 3.52Å; L340-F405 HydrophobicContact CD1-CE2 4.29Å; L340-F405 HydrophobicContact CD1-CG 3.74Å; V358-F405 CarbonylContact C-O 3.56Å; V358-F405 VanDerWaalsContact CA-O 3.26Å; V358-F405 WeakPolarHBondContact CA-O 3.07Å; V358-F405 HydrophobicContact CG1-CB 4.06Å; L359-F405 PolarHBondContact N-O 3.37Å; L368-F405 HydrophobicContact CD1-CD1 3.84Å; L368-F405 HydrophobicContact CD1-CE1 4.29Å; L368-F405 HydrophobicContact CD2-CD1 3.66Å; L368-F405 HydrophobicContact CD2-CE1 3.94Å; L368-F405 HydrophobicContact CG-CD1 4.43Å; F405-F407 HydrophobicContact CE1-CB 4.07Å; F405-F407 AromaticContact CE1-CD1 3.84Å; F405-F407 HydrophobicContact CE1-CD1 3.84Å; F405-F407 HydrophobicContact CE1-CG 4.16Å; F405-F407 HydrophobicContact CE2-CB 4.23Å; F405-F407 HydrophobicContact CZ-CB 3.63Å; F405-F407 HydrophobicContact CZ-CD1 4.26Å; F405-F407 HydrophobicContact CZ-CG 4.11Å; F405-F413 HydrophobicContact CE2-CB 4.32Å; F405-F413 HydrophobicContact CE2-CD1 4.22Å; F405-F413 HydrophobicContact CZ-CD1 4.01Å; F405-M414 WeakPolarHBondContact CA-O 3.35Å; F405-M414 WeakPolarHBondContact CD2-O 3.36Å |
| 406 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L359 F386 L389 M414 | L359-A406 HydrophobicContact CB-CB 3.94Å; L359-A406 WeakPolarHBondContact O-CA 3.2Å; F386-A406 HydrophobicContact CE1-CB 4.46Å; L389-A406 HydrophobicContact CB-CB 4.2Å; L389-A406 HydrophobicContact CD1-CB 4.3Å; L389-A406 HydrophobicContact CD2-CB 4.22Å; L389-A406 HydrophobicContact CG-CB 4.48Å; A406-M414 HydrophobicContact CB-CB 4.31Å; A406-M414 HydrophobicContact CB-CE 3.51Å; A406-M414 HydrophobicContact CB-SD 4.35Å; A406-M414 PolarHBondContact N-O 3.26Å; A406-M414 PolarHBondContact O-N 3.19Å |
| 407 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.4 | 177.3 | 87.9 | -72.1 | 0 | 0 | 0 | 116.2 | L359 S360 S361 S364 L368 F405 G412 F413 | L359-F407 PolarHBondContact O-N 3.46Å; L359-F407 VanDerWaalsContact O-N 3.13Å; S360-F407 WeakPolarHBondContact CA-O 3.4Å; S360-F407 VanDerWaalsContact CB-CE1 3.45Å; S361-F407 PolarHBondContact N-O 2.93Å; S364-F407 PolarHBondContact OG-O 3.44Å; L368-F407 HydrophobicContact CB-CD1 4.49Å; L368-F407 HydrophobicContact CB-CE1 3.73Å; L368-F407 HydrophobicContact CD2-CD1 3.53Å; L368-F407 HydrophobicContact CD2-CE1 3.59Å; L368-F407 HydrophobicContact CG-CE1 4.33Å; F405-F407 HydrophobicContact CE1-CB 4.07Å; F405-F407 AromaticContact CE1-CD1 3.84Å; F405-F407 HydrophobicContact CE1-CD1 3.84Å; F405-F407 HydrophobicContact CE1-CG 4.16Å; F405-F407 HydrophobicContact CE2-CB 4.23Å; F405-F407 HydrophobicContact CZ-CB 3.63Å; F405-F407 HydrophobicContact CZ-CD1 4.26Å; F405-F407 HydrophobicContact CZ-CG 4.11Å; F407-G412 VanDerWaalsContact CA-O 3.32Å; F407-G412 WeakPolarHBondContact CA-O 3.46Å; F407-F413 HydrophobicContact CB-CD1 3.72Å; F407-F413 HydrophobicContact CB-CE1 4.15Å; F407-F413 HydrophobicContact CD2-CE1 4.28Å |
| 408 | E | 97.3 | Very high | 97.4 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.3 | 166.1 | -61.1 | -160.3 | 113.8 | 0 | 0 | 110.3 | S361 S364 T384 G385 F386 L389 A410 I411 G412 | S361-E408 WeakPolarHBondContact CB-OE1 3.22Å; S364-E408 WeakPolarHBondContact OG-CA 3.18Å; T384-E408 VanDerWaalsContact CA-OE1 3.3Å; T384-E408 WeakPolarHBondContact CA-OE1 3.18Å; T384-E408 WeakPolarHBondContact CG2-OE1 3.22Å; G385-E408 PolarHBondContact N-OE1 3.43Å; F386-E408 HydrophobicContact CD2-CG 3.83Å; F386-E408 WeakPolarHBondContact CD2-OE2 3.24Å; F386-E408 HydrophobicContact CE2-CB 3.99Å; F386-E408 HydrophobicContact CE2-CG 3.54Å; F386-E408 HydrophobicContact CZ-CG 4.42Å; L389-E408 HydrophobicContact CD1-CG 3.69Å; E408-A410 PolarHBondContact O-N 2.94Å; E408-A410 VanDerWaalsContact O-N 3.15Å; E408-I411 PolarHBondContact O-N 3Å; E408-G412 PolarHBondContact N-O 3.15Å; E408-G412 PolarHBondContact O-N 3.27Å |
| 409 | E | 95.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.2 | 178.9 | 69.3 | 87.3 | -159.4 | 0 | 0 | 113.7 | G329 N330 S364 I411 Y556 | G329-E409 WeakPolarHBondContact CA-O 3.34Å; G329-E409 PolarHBondContact N-O 2.9Å; N330-E409 WeakPolarHBondContact OD1-CB 3.43Å; S364-E409 PolarHBondContact OG-N 3.13Å; E409-I411 PolarHBondContact O-N 2.95Å; E409-Y556 WeakPolarHBondContact OE1-CE1 3.49Å |
| 410 | A | 93.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 18 Ų | 18 | 22% | 0.223 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 41.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R312 E408 G412 | R312-A410 PolarHBondContact NE-O 3.4Å; E408-A410 PolarHBondContact O-N 2.94Å; E408-A410 VanDerWaalsContact O-N 3.15Å; A410-G412 PolarHBondContact O-N 2.84Å |
| 411 | I | 97.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 32.1 | 172.8 | 60.7 | 165 | 0 | 0 | 0 | 115.5 | P281 E282 R312 L313 A314 E408 E409 F413 | P281-I411 HydrophobicContact CB-CD1 4.36Å; P281-I411 HydrophobicContact CG-CD1 3.79Å; E282-I411 HydrophobicContact CB-CD1 3.86Å; E282-I411 HydrophobicContact CB-CG1 4.25Å; E282-I411 HydrophobicContact CG-CG1 4.46Å; R312-I411 WeakPolarHBondContact CA-O 3.46Å; R312-I411 HydrophobicContact CB-CD1 3.94Å; R312-I411 HydrophobicContact CB-CG1 3.98Å; R312-I411 HydrophobicContact CG-CD1 4.45Å; R312-I411 HydrophobicContact CG-CG1 4.12Å; L313-I411 PolarHBondContact N-O 3.05Å; L313-I411 VanDerWaalsContact N-O 3.09Å; L313-I411 WeakPolarHBondContact O-CB 3.31Å; A314-I411 HydrophobicContact CB-CD1 4.29Å; E408-I411 PolarHBondContact O-N 3Å; E409-I411 PolarHBondContact O-N 2.95Å; I411-F413 VanDerWaalsContact C-CE2 3.43Å; I411-F413 HydrophobicContact CB-CE2 4.09Å; I411-F413 HydrophobicContact CB-CZ 4.41Å; I411-F413 WeakPolarHBondContact O-CD2 3.4Å; I411-F413 WeakPolarHBondContact O-CE2 3.34Å |
| 412 | G | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F386 F407 E408 A410 | F386-G412 WeakPolarHBondContact CE2-O 3.46Å; F386-G412 WeakPolarHBondContact CZ-O 3.41Å; F407-G412 VanDerWaalsContact CA-O 3.32Å; F407-G412 WeakPolarHBondContact CA-O 3.46Å; E408-G412 PolarHBondContact N-O 3.15Å; E408-G412 PolarHBondContact O-N 3.27Å; A410-G412 PolarHBondContact O-N 2.84Å |
| 413 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.1 | -174.8 | -52.2 | -76.2 | 0 | 0 | 0 | 110.9 | L313 L332 F336 F405 F407 I411 K422 D423 A427 | L313-F413 HydrophobicContact CB-CD2 4.18Å; L313-F413 HydrophobicContact CB-CE2 4.33Å; L313-F413 WeakPolarHBondContact O-CE2 3.37Å; L332-F413 HydrophobicContact CB-CE1 3.83Å; L332-F413 HydrophobicContact CB-CE2 4.31Å; L332-F413 HydrophobicContact CB-CZ 3.45Å; L332-F413 VanDerWaalsContact CB-CZ 3.45Å; L332-F413 HydrophobicContact CD1-CE2 4.02Å; L332-F413 HydrophobicContact CD1-CZ 3.83Å; L332-F413 HydrophobicContact CG-CZ 4.29Å; F336-F413 AromaticContact CD2-CD1 3.63Å; F336-F413 HydrophobicContact CD2-CD1 3.63Å; F336-F413 AromaticContact CD2-CE1 3.92Å; F336-F413 HydrophobicContact CD2-CE1 3.92Å; F336-F413 AromaticContact CD2-CG 3.98Å; F336-F413 HydrophobicContact CD2-CG 3.98Å; F336-F413 HydrophobicContact CD2-CZ 4.49Å; F336-F413 HydrophobicContact CE2-CB 4.3Å; F336-F413 AromaticContact CE2-CD1 3.8Å; F336-F413 HydrophobicContact CE2-CD1 3.8Å; F336-F413 AromaticContact CE2-CD2 3.88Å; F336-F413 HydrophobicContact CE2-CD2 3.88Å; F336-F413 HydrophobicContact CE2-CE1 4.09Å; F336-F413 HydrophobicContact CE2-CE2 4.15Å; F336-F413 AromaticContact CE2-CG 3.7Å; F336-F413 HydrophobicContact CE2-CG 3.7Å; F336-F413 HydrophobicContact CE2-CZ 4.26Å; F405-F413 HydrophobicContact CE2-CB 4.32Å; F405-F413 HydrophobicContact CE2-CD1 4.22Å; F405-F413 HydrophobicContact CZ-CD1 4.01Å; F407-F413 HydrophobicContact CB-CD1 3.72Å; F407-F413 HydrophobicContact CB-CE1 4.15Å; F407-F413 HydrophobicContact CD2-CE1 4.28Å; I411-F413 VanDerWaalsContact C-CE2 3.43Å; I411-F413 HydrophobicContact CB-CE2 4.09Å; I411-F413 HydrophobicContact CB-CZ 4.41Å; I411-F413 WeakPolarHBondContact O-CD2 3.4Å; I411-F413 WeakPolarHBondContact O-CE2 3.34Å; F413-K422 WeakPolarHBondContact O-CA 3.25Å; F413-D423 PolarHBondContact O-N 2.86Å; F413-A427 HydrophobicContact CB-CB 3.82Å; F413-A427 HydrophobicContact CD2-CB 4.35Å; F413-A427 HydrophobicContact CG-CB 4.46Å |
| 414 | M | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 95.6 | 173.3 | -179.6 | -169 | 88.8 | 0 | 0 | 108 | F386 T403 F405 A406 V419 W420 | F386-M414 HydrophobicContact CD1-CB 4.44Å; F386-M414 HydrophobicContact CE1-CB 3.56Å; F386-M414 HydrophobicContact CE1-SD 4.48Å; F386-M414 HydrophobicContact CZ-CB 4.33Å; T403-M414 HydrophobicContact CG2-CE 3.72Å; F405-M414 WeakPolarHBondContact CA-O 3.35Å; F405-M414 WeakPolarHBondContact CD2-O 3.36Å; A406-M414 HydrophobicContact CB-CB 4.31Å; A406-M414 HydrophobicContact CB-CE 3.51Å; A406-M414 HydrophobicContact CB-SD 4.35Å; A406-M414 PolarHBondContact N-O 3.26Å; A406-M414 PolarHBondContact O-N 3.19Å; M414-V419 WeakPolarHBondContact CG-O 3.31Å; M414-W420 HydrophobicContact CE-CE3 3.67Å; M414-W420 HydrophobicContact CE-CZ3 3.65Å; M414-W420 HydrophobicContact SD-CE3 3.63Å; M414-W420 HydrophobicContact SD-CZ3 4.23Å |
| 415 | C | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | L221 L340 V430 | L221-C415 HydrophobicContact CD1-CB 4.01Å; L221-C415 VanDerWaalsContact CD1-O 3.28Å; L221-C415 WeakPolarHBondContact CD1-O 3.33Å; L340-C415 HydrophobicContact CD1-CB 4.16Å; C415-V430 HydrophobicContact CB-CG2 4.05Å |
| 416 | G | 96.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 7 Ų | 7 | 5% | 0.052 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 76 | -158.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I404 | I404-G416 WeakPolarHBondContact O-CA 3.34Å; I404-G416 PolarHBondContact O-N 3.31Å |
| 417 | D | 95.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 7 Ų | 7 | 8% | 0.075 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -123.3 | 17.6 | -167.7 | 58.9 | 1.3 | 0 | 0 | 0 | 112.7 | R136 R220 K402 W420 | R136-D417 PolarHBondContact NH1-O 2.7Å; R220-D417 WeakPolarHBondContact CD-OD1 3.37Å; R220-D417 IonicContact CZ-OD1 3.31Å; R220-D417 IonicContact NE-OD1 3.05Å; R220-D417 PolarHBondContact NH1-O 3.06Å; R220-D417 IonicContact NH1-OD1 2.65Å; R220-D417 PolarHBondContact NH1-OD1 3.26Å; R220-D417 IonicContact NH1-OD2 2.8Å; K402-D417 IonicContact NZ-OD2 2.64Å; K402-D417 PolarHBondContact NZ-OD2 3.05Å; D417-W420 HydrophobicContact CB-CH2 3.44Å; D417-W420 VanDerWaalsContact CB-CH2 3.44Å; D417-W420 HydrophobicContact CB-CZ2 3.83Å; D417-W420 HydrophobicContact CB-CZ3 4.04Å |
| 418 | V | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -74.8 | -48.7 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110 | F133 Y213 L216 Q217 | F133-V418 HydrophobicContact CD2-CG1 3.77Å; F133-V418 VanDerWaalsContact CD2-O 3.31Å; F133-V418 WeakPolarHBondContact CD2-O 3.2Å; F133-V418 HydrophobicContact CE2-CG1 3.69Å; F133-V418 HydrophobicContact CZ-CG1 4.38Å; Y213-V418 HydrophobicContact CD2-CG1 4.02Å; Y213-V418 HydrophobicContact CE2-CG1 4.3Å; L216-V418 HydrophobicContact CB-CG1 4.31Å; L216-V418 HydrophobicContact CB-CG2 3.99Å; Q217-V418 HydrophobicContact CG-CG1 4.29Å; Q217-V418 HydrophobicContact CG-CG2 4.48Å |
| 419 | V | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.018 | 4% | 0.036 | C | C | . | . | trans | -120 | 128.7 | -179.9 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | P129 A132 F133 Y213 M414 D421 D423 | P129-V419 HydrophobicContact CB-CG1 3.97Å; A132-V419 HydrophobicContact CB-CG1 3.79Å; F133-V419 HydrophobicContact CB-CG2 4.07Å; Y213-V419 HydrophobicContact CD2-CG2 4.33Å; Y213-V419 HydrophobicContact CE2-CG2 3.86Å; M414-V419 WeakPolarHBondContact CG-O 3.31Å; V419-D421 VanDerWaalsContact C-N 3.26Å; V419-D421 HydrophobicContact CG1-CB 4.36Å; V419-D421 PolarHBondContact O-N 3.2Å; V419-D423 HydrophobicContact CB-CB 4.19Å; V419-D423 HydrophobicContact CG2-CB 4.29Å; V419-D423 WeakPolarHBondContact CG2-OD2 3.22Å | ||
| 420 | W | 96.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 4.5 Ų | 4.5 | 1% | 0.011 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -94.6 | 43.6 | 175.5 | -65 | 139.9 | 0 | 0 | 0 | 112.1 | R136 C166 S393 T403 M414 D417 | R136-W420 VanDerWaalsContact CZ-CD1 3.47Å; C166-W420 WeakPolarHBondContact SG-CB 3.19Å; S393-W420 VanDerWaalsContact CB-CE3 3.41Å; T403-W420 HydrophobicContact CG2-CZ3 4.33Å; M414-W420 HydrophobicContact CE-CE3 3.67Å; M414-W420 HydrophobicContact CE-CZ3 3.65Å; M414-W420 HydrophobicContact SD-CE3 3.63Å; M414-W420 HydrophobicContact SD-CZ3 4.23Å; D417-W420 HydrophobicContact CB-CH2 3.44Å; D417-W420 VanDerWaalsContact CB-CH2 3.44Å; D417-W420 HydrophobicContact CB-CZ2 3.83Å; D417-W420 HydrophobicContact CB-CZ3 4.04Å |
| 421 | D | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.018 | C | C | . | . | S | Bend | trans | -150.9 | 173.6 | 171.4 | -162.7 | 4.2 | 0 | 0 | 0 | 107 | A132 Y161 Q167 F386 V419 D423 | A132-D421 HydrophobicContact CB-CB 4.17Å; Y161-D421 HydrophobicContact CE1-CB 4.21Å; Y161-D421 WeakPolarHBondContact CE1-OD2 3.39Å; Y161-D421 VanDerWaalsContact CZ-OD2 3.31Å; Y161-D421 PolarHBondContact OH-OD2 3.12Å; Q167-D421 PolarHBondContact NE2-OD1 3.18Å; Q167-D421 PolarHBondContact NE2-OD2 3.17Å; F386-D421 WeakPolarHBondContact CB-OD1 3.32Å; V419-D421 VanDerWaalsContact C-N 3.26Å; V419-D421 HydrophobicContact CG1-CB 4.36Å; V419-D421 PolarHBondContact O-N 3.2Å; D421-D423 PolarHBondContact O-N 2.89Å |
| 422 | K | 97.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 3 Ų | 3 | 10% | 0.104 | 2% | 0.017 | C | C | . | . | trans | -61.1 | 130.5 | 171.1 | 56.2 | -170.3 | -170.3 | -42.4 | 0 | 111 | D311 F386 F413 | D311-K422 HydrophobicContact CB-CD 4.46Å; D311-K422 HydrophobicContact CB-CG 3.92Å; D311-K422 VanDerWaalsContact CG-NZ 3.29Å; D311-K422 CarbonylContact O-C 3.18Å; D311-K422 VanDerWaalsContact O-CB 3.27Å; D311-K422 WeakPolarHBondContact O-CB 3.26Å; D311-K422 VanDerWaalsContact O-CG 3.27Å; D311-K422 WeakPolarHBondContact O-CG 3.48Å; D311-K422 WeakPolarHBondContact OD1-CE 3.28Å; D311-K422 IonicContact OD1-NZ 2.67Å; D311-K422 WeakPolarHBondContact OD2-CE 3.47Å; D311-K422 IonicContact OD2-NZ 2.94Å; D311-K422 PolarHBondContact OD2-NZ 3.2Å; F386-K422 HydrophobicContact CD1-CB 4.23Å; F386-K422 HydrophobicContact CD2-CB 3.83Å; F386-K422 HydrophobicContact CD2-CD 3.91Å; F386-K422 HydrophobicContact CD2-CG 4.13Å; F386-K422 HydrophobicContact CE1-CB 4.16Å; F386-K422 HydrophobicContact CE2-CB 3.72Å; F386-K422 HydrophobicContact CE2-CD 4.25Å; F386-K422 HydrophobicContact CE2-CG 4.44Å; F386-K422 HydrophobicContact CG-CB 4.06Å; F386-K422 HydrophobicContact CG-CG 4.35Å; F386-K422 HydrophobicContact CZ-CB 3.89Å; F413-K422 WeakPolarHBondContact O-CA 3.25Å | ||
| 423 | D | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 3 Ų | 3 | 2% | 0.021 | 2% | 0.017 | C | C | . | . | trans | -130.1 | 83.9 | -174.5 | 178.3 | 10 | 0 | 0 | 0 | 109.2 | P129 Y213 Q217 F413 V419 D421 V425 G426 A427 | P129-D423 HydrophobicContact CB-CB 3.93Å; P129-D423 HydrophobicContact CG-CB 4.44Å; Y213-D423 WeakPolarHBondContact CE2-OD2 3.47Å; Y213-D423 PolarHBondContact OH-OD1 3.3Å; Y213-D423 PolarHBondContact OH-OD2 2.9Å; Q217-D423 PolarHBondContact NE2-OD2 2.86Å; F413-D423 PolarHBondContact O-N 2.86Å; V419-D423 HydrophobicContact CB-CB 4.19Å; V419-D423 HydrophobicContact CG2-CB 4.29Å; V419-D423 WeakPolarHBondContact CG2-OD2 3.22Å; D421-D423 PolarHBondContact O-N 2.89Å; D423-V425 PolarHBondContact O-N 3.2Å; D423-V425 WeakPolarHBondContact OD1-CB 3.44Å; D423-V425 PolarHBondContact OD1-N 3.18Å; D423-G426 PolarHBondContact O-N 3.45Å; D423-G426 PolarHBondContact OD1-N 2.9Å; D423-A427 VanDerWaalsContact O-CB 3.28Å; D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 2.99Å | ||
| 424 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -60.7 | -23.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N306 A310 D311 L428 | N306-G424 PolarHBondContact ND2-O 3.23Å; A310-G424 PolarHBondContact O-N 2.8Å; D311-G424 PolarHBondContact O-N 3.02Å; G424-L428 VanDerWaalsContact O-CB 3.31Å; G424-L428 WeakPolarHBondContact O-CB 3.31Å; G424-L428 PolarHBondContact O-N 3.34Å |
| 425 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.006 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -75.1 | -51.4 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | P127 Y213 A247 V248 L251 A310 D423 L428 A429 | P127-V425 HydrophobicContact CB-CG2 4.12Å; P127-V425 HydrophobicContact CG-CG2 3.9Å; Y213-V425 HydrophobicContact CE1-CG1 4.16Å; A247-V425 HydrophobicContact CB-CG1 3.92Å; A247-V425 HydrophobicContact CB-CG2 4.12Å; V248-V425 HydrophobicContact CG2-CB 4.33Å; V248-V425 HydrophobicContact CG2-CG1 3.95Å; V248-V425 HydrophobicContact CG2-CG2 4.11Å; L251-V425 HydrophobicContact CB-CG1 4.37Å; L251-V425 HydrophobicContact CD2-CG1 3.95Å; A310-V425 HydrophobicContact CB-CG2 4.23Å; D423-V425 PolarHBondContact O-N 3.2Å; D423-V425 WeakPolarHBondContact OD1-CB 3.44Å; D423-V425 PolarHBondContact OD1-N 3.18Å; V425-L428 WeakPolarHBondContact O-CB 3.49Å; V425-L428 PolarHBondContact O-N 3.31Å; V425-A429 PolarHBondContact O-N 2.93Å |
| 426 | G | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.01 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y213 D423 L428 A429 V430 | Y213-G426 WeakPolarHBondContact OH-CA 3.39Å; Y213-G426 PolarHBondContact OH-N 3.36Å; D423-G426 PolarHBondContact O-N 3.45Å; D423-G426 PolarHBondContact OD1-N 2.9Å; G426-L428 VanDerWaalsContact C-N 3.28Å; G426-L428 PolarHBondContact O-N 3.38Å; G426-A429 PolarHBondContact O-N 3.26Å; G426-V430 PolarHBondContact O-N 2.8Å |
| 427 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -58.8 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L313 F336 F413 D423 V430 M431 | L313-A427 HydrophobicContact CB-CB 4.46Å; L313-A427 HydrophobicContact CD2-CB 3.84Å; F336-A427 HydrophobicContact CE1-CB 4.5Å; F336-A427 WeakPolarHBondContact CE1-O 3.36Å; F336-A427 HydrophobicContact CE2-CB 4.48Å; F336-A427 HydrophobicContact CZ-CB 3.88Å; F336-A427 WeakPolarHBondContact CZ-O 3.35Å; F413-A427 HydrophobicContact CB-CB 3.82Å; F413-A427 HydrophobicContact CD2-CB 4.35Å; F413-A427 HydrophobicContact CG-CB 4.46Å; D423-A427 VanDerWaalsContact O-CB 3.28Å; D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 2.99Å; A427-V430 PolarHBondContact O-N 3.22Å; A427-M431 WeakPolarHBondContact O-CB 3.2Å; A427-M431 PolarHBondContact O-N 2.73Å |
| 428 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.8 | -175.9 | 159.3 | 0 | 0 | 0 | 111.4 | Y237 V248 V252 L260 F304 L313 G424 V425 G426 V430 M431 A432 | Y237-L428 HydrophobicContact CD2-CD1 3.61Å; Y237-L428 HydrophobicContact CE2-CD1 3.62Å; V248-L428 HydrophobicContact CG1-CD1 3.78Å; V248-L428 HydrophobicContact CG1-CD2 3.92Å; V248-L428 HydrophobicContact CG2-CD1 4.05Å; V252-L428 HydrophobicContact CG2-CD2 3.61Å; L260-L428 HydrophobicContact CD1-CD2 4.17Å; F304-L428 HydrophobicContact CB-CD1 3.66Å; F304-L428 HydrophobicContact CB-CG 4.04Å; F304-L428 HydrophobicContact CD2-CD1 4.23Å; F304-L428 HydrophobicContact CD2-CD2 4.01Å; F304-L428 HydrophobicContact CD2-CG 3.86Å; F304-L428 HydrophobicContact CE2-CD2 4.43Å; F304-L428 HydrophobicContact CG-CD1 4.14Å; F304-L428 HydrophobicContact CG-CG 3.96Å; L313-L428 HydrophobicContact CD1-CB 4.01Å; L313-L428 HydrophobicContact CD1-CD1 4.22Å; L313-L428 HydrophobicContact CD1-CG 4.26Å; L313-L428 HydrophobicContact CD2-CB 4.27Å; G424-L428 VanDerWaalsContact O-CB 3.31Å; G424-L428 WeakPolarHBondContact O-CB 3.31Å; G424-L428 PolarHBondContact O-N 3.34Å; V425-L428 WeakPolarHBondContact O-CB 3.49Å; V425-L428 PolarHBondContact O-N 3.31Å; G426-L428 VanDerWaalsContact C-N 3.28Å; G426-L428 PolarHBondContact O-N 3.38Å; L428-V430 VanDerWaalsContact C-N 3.33Å; L428-V430 PolarHBondContact O-N 2.86Å; L428-M431 PolarHBondContact O-N 3.11Å; L428-A432 PolarHBondContact O-N 3.12Å |
| 429 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L251 F255 V425 G426 A432 E433 | L251-A429 HydrophobicContact CD2-CB 3.58Å; L251-A429 HydrophobicContact CG-CB 3.77Å; F255-A429 HydrophobicContact CD1-CB 3.84Å; F255-A429 HydrophobicContact CD2-CB 4.39Å; F255-A429 HydrophobicContact CE1-CB 3.76Å; F255-A429 HydrophobicContact CE2-CB 4.32Å; F255-A429 HydrophobicContact CG-CB 4.16Å; F255-A429 HydrophobicContact CZ-CB 4.01Å; V425-A429 PolarHBondContact O-N 2.93Å; G426-A429 PolarHBondContact O-N 3.26Å; A429-A432 PolarHBondContact O-N 3.04Å; A429-E433 PolarHBondContact O-N 3.08Å; A429-E433 VanDerWaalsContact O-N 3.17Å |
| 430 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | L221 F336 L340 C415 G426 A427 L428 E433 L434 | L221-V430 HydrophobicContact CB-CG2 3.95Å; L221-V430 HydrophobicContact CD1-CG2 3.92Å; L221-V430 HydrophobicContact CG-CG2 4.42Å; F336-V430 HydrophobicContact CD1-CB 4.47Å; F336-V430 HydrophobicContact CD1-CG1 3.82Å; F336-V430 HydrophobicContact CE1-CB 3.97Å; F336-V430 HydrophobicContact CE1-CG1 3.79Å; L340-V430 HydrophobicContact CD2-CG1 4.1Å; C415-V430 HydrophobicContact CB-CG2 4.05Å; G426-V430 PolarHBondContact O-N 2.8Å; A427-V430 PolarHBondContact O-N 3.22Å; L428-V430 VanDerWaalsContact C-N 3.33Å; L428-V430 PolarHBondContact O-N 2.86Å; V430-E433 PolarHBondContact O-N 2.8Å; V430-L434 WeakPolarHBondContact O-CB 3.37Å; V430-L434 PolarHBondContact O-N 3.27Å |
| 431 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.3 | -35.3 | 178.7 | -171.7 | 53.9 | 46.8 | 0 | 0 | 112.5 | F304 L313 V315 L332 L335 F336 A427 L428 E433 L434 T435 | F304-M431 HydrophobicContact CD1-CG 4.5Å; F304-M431 HydrophobicContact CE1-CB 4.2Å; F304-M431 HydrophobicContact CE1-CG 3.62Å; F304-M431 HydrophobicContact CZ-CB 4.48Å; F304-M431 HydrophobicContact CZ-CG 4.18Å; L313-M431 HydrophobicContact CD2-CB 4.22Å; V315-M431 HydrophobicContact CG2-CG 3.85Å; L332-M431 HydrophobicContact CD2-CE 4.35Å; L335-M431 HydrophobicContact CB-CE 4.42Å; F336-M431 HydrophobicContact CD1-CE 3.6Å; F336-M431 HydrophobicContact CD2-CE 3.8Å; F336-M431 HydrophobicContact CE1-CB 3.96Å; F336-M431 HydrophobicContact CE1-CE 3.27Å; F336-M431 HydrophobicContact CE2-CE 3.48Å; F336-M431 VanDerWaalsContact CE2-CE 3.48Å; F336-M431 HydrophobicContact CG-CE 3.86Å; F336-M431 HydrophobicContact CZ-CB 3.85Å; F336-M431 HydrophobicContact CZ-CE 3.21Å; F336-M431 HydrophobicContact CZ-CG 4.48Å; A427-M431 WeakPolarHBondContact O-CB 3.2Å; A427-M431 PolarHBondContact O-N 2.73Å; L428-M431 PolarHBondContact O-N 3.11Å; M431-E433 VanDerWaalsContact C-N 3.35Å; M431-L434 HydrophobicContact CE-CD1 3.93Å; M431-L434 PolarHBondContact O-N 2.88Å; M431-L434 HydrophobicContact SD-CB 4.5Å; M431-L434 HydrophobicContact SD-CD1 4.28Å; M431-L434 HydrophobicContact SD-CD2 4.23Å; M431-T435 VanDerWaalsContact O-CB 3.25Å; M431-T435 WeakPolarHBondContact O-CB 3.45Å; M431-T435 PolarHBondContact O-N 3.47Å; M431-T435 PolarHBondContact O-OG1 3.44Å |
| 432 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | F235 F257 F304 L428 A429 T435 A436 | F235-A432 HydrophobicContact CD2-CB 4.37Å; F235-A432 HydrophobicContact CE2-CB 3.94Å; F235-A432 HydrophobicContact CZ-CB 4.25Å; F257-A432 HydrophobicContact CD2-CB 4.21Å; F257-A432 HydrophobicContact CE2-CB 3.81Å; F257-A432 VanDerWaalsContact CZ-C 3.46Å; F257-A432 HydrophobicContact CZ-CB 4Å; F257-A432 WeakPolarHBondContact CZ-O 3.39Å; F304-A432 HydrophobicContact CE2-CB 4.04Å; F304-A432 HydrophobicContact CZ-CB 4.28Å; L428-A432 PolarHBondContact O-N 3.12Å; A429-A432 PolarHBondContact O-N 3.04Å; A432-T435 PolarHBondContact O-N 3.46Å; A432-A436 WeakPolarHBondContact O-CB 3.48Å; A432-A436 PolarHBondContact O-N 2.96Å |
| 433 | E | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -49.3 | 174.2 | -170.6 | 170.8 | 87.5 | 0 | 0 | 113 | F223 T224 N228 F257 W339 A429 V430 M431 T435 A436 Y437 | F223-E433 WeakPolarHBondContact CB-OE1 3.48Å; F223-E433 WeakPolarHBondContact CD2-OE1 3.47Å; F223-E433 PolarHBondContact N-OE1 2.83Å; F223-E433 PolarHBondContact N-OE2 2.82Å; F223-E433 VanDerWaalsContact N-OE2 3.1Å; T224-E433 PolarHBondContact N-OE2 3.03Å; T224-E433 VanDerWaalsContact OG1-CG 3.23Å; T224-E433 WeakPolarHBondContact OG1-CG 3.27Å; T224-E433 PolarHBondContact OG1-OE2 2.67Å; N228-E433 PolarHBondContact ND2-OE2 3.13Å; F257-E433 HydrophobicContact CE2-CB 4.27Å; F257-E433 HydrophobicContact CZ-CB 4.28Å; W339-E433 HydrophobicContact CZ2-CG 3.83Å; A429-E433 PolarHBondContact O-N 3.08Å; A429-E433 VanDerWaalsContact O-N 3.17Å; V430-E433 PolarHBondContact O-N 2.8Å; M431-E433 VanDerWaalsContact C-N 3.35Å; E433-T435 VanDerWaalsContact C-N 3.33Å; E433-T435 PolarHBondContact O-N 2.77Å; E433-A436 PolarHBondContact O-N 2.97Å; E433-Y437 PolarHBondContact O-N 3.41Å |
| 434 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 174.7 | -175.7 | 167.3 | 0 | 0 | 0 | 110.9 | L335 W338 W339 V430 M431 A436 Y437 V438 L445 | L335-L434 HydrophobicContact CB-CD1 3.92Å; L335-L434 HydrophobicContact CD2-CD2 4.38Å; L335-L434 WeakPolarHBondContact O-CD1 3.44Å; W338-L434 HydrophobicContact CZ3-CG 4.43Å; W339-L434 HydrophobicContact CB-CD1 3.48Å; W339-L434 VanDerWaalsContact CB-CD1 3.48Å; W339-L434 HydrophobicContact CB-CG 3.99Å; W339-L434 HydrophobicContact CD2-CB 4.16Å; W339-L434 HydrophobicContact CD2-CG 4.24Å; W339-L434 HydrophobicContact CG-CB 4.05Å; W339-L434 HydrophobicContact CG-CD1 3.92Å; W339-L434 HydrophobicContact CG-CG 4.02Å; V430-L434 WeakPolarHBondContact O-CB 3.37Å; V430-L434 PolarHBondContact O-N 3.27Å; M431-L434 HydrophobicContact CE-CD1 3.93Å; M431-L434 PolarHBondContact O-N 2.88Å; M431-L434 HydrophobicContact SD-CB 4.5Å; M431-L434 HydrophobicContact SD-CD1 4.28Å; M431-L434 HydrophobicContact SD-CD2 4.23Å; L434-A436 PolarHBondContact O-N 3.02Å; L434-Y437 WeakPolarHBondContact O-CB 3.33Å; L434-Y437 PolarHBondContact O-N 2.68Å; L434-V438 HydrophobicContact CD2-CG2 3.89Å; L434-V438 WeakPolarHBondContact O-CG2 3.44Å; L434-V438 PolarHBondContact O-N 3.41Å; L434-L445 HydrophobicContact CD2-CD2 3.29Å |
| 435 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | -179.2 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | F235 I302 M431 A432 E433 Y437 V438 H439 L445 | F235-T435 HydrophobicContact CE1-CG2 3.84Å; F235-T435 HydrophobicContact CZ-CG2 4.44Å; I302-T435 HydrophobicContact CD1-CG2 3.75Å; I302-T435 HydrophobicContact CG1-CG2 3.84Å; M431-T435 VanDerWaalsContact O-CB 3.25Å; M431-T435 WeakPolarHBondContact O-CB 3.45Å; M431-T435 PolarHBondContact O-N 3.47Å; M431-T435 PolarHBondContact O-OG1 3.44Å; A432-T435 PolarHBondContact O-N 3.46Å; E433-T435 VanDerWaalsContact C-N 3.33Å; E433-T435 PolarHBondContact O-N 2.77Å; T435-Y437 VanDerWaalsContact C-N 3.3Å; T435-Y437 PolarHBondContact O-N 3.26Å; T435-V438 PolarHBondContact O-N 2.82Å; T435-H439 WeakPolarHBondContact O-CB 3.5Å; T435-H439 PolarHBondContact O-N 3.21Å; T435-L445 HydrophobicContact CG2-CD1 4.27Å; T435-L445 HydrophobicContact CG2-CD2 4.49Å; T435-L445 HydrophobicContact CG2-CG 4.37Å |
| 436 | A | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C231 F257 A432 E433 L434 R440 | C231-A436 HydrophobicContact CB-CB 4.43Å; F257-A436 HydrophobicContact CE1-CB 3.86Å; F257-A436 HydrophobicContact CZ-CB 4.07Å; A432-A436 WeakPolarHBondContact O-CB 3.48Å; A432-A436 PolarHBondContact O-N 2.96Å; E433-A436 PolarHBondContact O-N 2.97Å; L434-A436 PolarHBondContact O-N 3.02Å; A436-R440 VanDerWaalsContact O-CB 3.27Å; A436-R440 WeakPolarHBondContact O-CB 3.31Å; A436-R440 PolarHBondContact O-N 3.29Å |
| 437 | Y | 97.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 25 Ų | 25 | 26% | 0.259 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.2 | 174.8 | -87.9 | 0 | 0 | 0 | 112.2 | W338 W339 E433 L434 T435 R440 N441 | W338-Y437 HydrophobicContact CH2-CD1 4.19Å; W338-Y437 AromaticContact CH2-CE1 3.85Å; W338-Y437 HydrophobicContact CH2-CE1 3.85Å; W338-Y437 HydrophobicContact CZ2-CE1 4.48Å; W339-Y437 HydrophobicContact CE3-CD1 4.3Å; W339-Y437 HydrophobicContact CE3-CG 4.45Å; W339-Y437 HydrophobicContact CH2-CD1 4.3Å; W339-Y437 AromaticContact CH2-CD2 3.78Å; W339-Y437 HydrophobicContact CH2-CD2 3.78Å; W339-Y437 AromaticContact CH2-CG 3.65Å; W339-Y437 HydrophobicContact CH2-CG 3.65Å; W339-Y437 AromaticContact CZ3-CD1 3.54Å; W339-Y437 HydrophobicContact CZ3-CD1 3.54Å; W339-Y437 AromaticContact CZ3-CD2 3.7Å; W339-Y437 HydrophobicContact CZ3-CD2 3.7Å; W339-Y437 HydrophobicContact CZ3-CE1 4.03Å; W339-Y437 HydrophobicContact CZ3-CE2 4.17Å; W339-Y437 AromaticContact CZ3-CG 3.36Å; W339-Y437 HydrophobicContact CZ3-CG 3.36Å; E433-Y437 PolarHBondContact O-N 3.41Å; L434-Y437 WeakPolarHBondContact O-CB 3.33Å; L434-Y437 PolarHBondContact O-N 2.68Å; T435-Y437 VanDerWaalsContact C-N 3.3Å; T435-Y437 PolarHBondContact O-N 3.26Å; Y437-R440 PolarHBondContact O-N 3.35Å; Y437-N441 WeakPolarHBondContact CE1-ND2 3.22Å; Y437-N441 PolarHBondContact O-N 3.18Å; Y437-N441 PolarHBondContact O-ND2 3.01Å |
| 438 | V | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | -179 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | W338 L434 T435 R440 N441 G442 K443 L444 L445 Q448 | W338-V438 HydrophobicContact CZ3-CG2 4.38Å; L434-V438 HydrophobicContact CD2-CG2 3.89Å; L434-V438 WeakPolarHBondContact O-CG2 3.44Å; L434-V438 PolarHBondContact O-N 3.41Å; T435-V438 PolarHBondContact O-N 2.82Å; V438-R440 PolarHBondContact O-N 2.92Å; V438-N441 CarbonylContact O-C 3.54Å; V438-N441 WeakPolarHBondContact O-CA 3.35Å; V438-N441 PolarHBondContact O-N 3.16Å; V438-N441 VanDerWaalsContact O-N 3.08Å; V438-G442 PolarHBondContact O-N 2.65Å; V438-K443 CarbonylContact C-O 3.58Å; V438-K443 HydrophobicContact CG1-CB 3.85Å; V438-K443 WeakPolarHBondContact CG1-O 3.32Å; V438-K443 PolarHBondContact O-N 3.01Å; V438-L444 WeakPolarHBondContact CG1-O 3.33Å; V438-L445 HydrophobicContact CB-CD2 4.28Å; V438-L445 HydrophobicContact CG1-CD2 4.39Å; V438-L445 HydrophobicContact CG2-CD2 4.24Å; V438-Q448 HydrophobicContact CG1-CB 3.86Å; V438-Q448 HydrophobicContact CG2-CB 3.95Å; V438-Q448 HydrophobicContact CG2-CG 3.75Å |
| 439 | H | 97.5 | Very high | 98.1 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -39 | 177.6 | -76.6 | -169.6 | 0 | 0 | 0 | 112.9 | T233 E317 T435 N441 G442 K443 | T233-H439 WeakPolarHBondContact CG2-ND1 3.28Å; T233-H439 PolarHBondContact OG1-ND1 3.07Å; E317-H439 IonicContact OE1-NE2 2.6Å; E317-H439 PolarHBondContact OE1-NE2 2.95Å; T435-H439 WeakPolarHBondContact O-CB 3.5Å; T435-H439 PolarHBondContact O-N 3.21Å; H439-N441 PolarHBondContact O-N 2.73Å; H439-G442 PolarHBondContact O-N 3.2Å; H439-K443 PolarHBondContact CD2-O 3.15Å |
| 440 | R | 96.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 30.3 Ų | 30.3 | 38% | 0.381 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.5 | -31.5 | 174.6 | 171.8 | 173.4 | 43.7 | -110.6 | -9.6 | 112 | E227 A436 Y437 V438 G442 | E227-R440 IonicContact OE2-CZ 2.77Å; E227-R440 IonicContact OE2-NE 2.89Å; E227-R440 IonicContact OE2-NH1 2.64Å; E227-R440 PolarHBondContact OE2-NH1 3.09Å; A436-R440 VanDerWaalsContact O-CB 3.27Å; A436-R440 WeakPolarHBondContact O-CB 3.31Å; A436-R440 PolarHBondContact O-N 3.29Å; Y437-R440 PolarHBondContact O-N 3.35Å; V438-R440 PolarHBondContact O-N 2.92Å; R440-G442 PolarHBondContact O-N 3.09Å |
| 441 | N | 96.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 33.6 Ų | 33.6 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 11.2 | 174.1 | -70.4 | -58.7 | 0 | 0 | 0 | 113.3 | Y437 V438 H439 K443 | Y437-N441 WeakPolarHBondContact CE1-ND2 3.22Å; Y437-N441 PolarHBondContact O-N 3.18Å; Y437-N441 PolarHBondContact O-ND2 3.01Å; V438-N441 CarbonylContact O-C 3.54Å; V438-N441 WeakPolarHBondContact O-CA 3.35Å; V438-N441 PolarHBondContact O-N 3.16Å; V438-N441 VanDerWaalsContact O-N 3.08Å; H439-N441 PolarHBondContact O-N 2.73Å; N441-K443 VanDerWaalsContact C-N 3.34Å; N441-K443 PolarHBondContact O-N 3.08Å |
| 442 | G | 96.6 | Very high | 97.6 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 66% | 0.66 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 19.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V438 H439 R440 | V438-G442 PolarHBondContact O-N 2.65Å; H439-G442 PolarHBondContact O-N 3.2Å; R440-G442 PolarHBondContact O-N 3.09Å |
| 443 | K | 97.7 | Very high | 97.5 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 27% | 0.27 | 18% | 0.18 | S | C | . | . | trans | -116.9 | 157.5 | -177 | -68.1 | 172.1 | -178.5 | 171.2 | 0 | 111.6 | V438 H439 N441 E447 E451 | V438-K443 CarbonylContact C-O 3.58Å; V438-K443 HydrophobicContact CG1-CB 3.85Å; V438-K443 WeakPolarHBondContact CG1-O 3.32Å; V438-K443 PolarHBondContact O-N 3.01Å; H439-K443 PolarHBondContact CD2-O 3.15Å; N441-K443 VanDerWaalsContact C-N 3.34Å; N441-K443 PolarHBondContact O-N 3.08Å; K443-E447 WeakPolarHBondContact CA-OE2 3.36Å; K443-E447 HydrophobicContact CB-CB 4.35Å; K443-E451 WeakPolarHBondContact CE-OE1 3.47Å; K443-E451 IonicContact NZ-OE1 3.51Å; K443-E451 PolarHBondContact NZ-OE1 3.31Å; K443-E451 IonicContact NZ-OE2 3.77Å; K443-E451 PolarHBondContact NZ-OE2 3.01Å | ||
| 444 | L | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.131 | 21% | 0.205 | C | C | . | . | trans | -85.6 | 159.5 | 162.1 | -65 | -175.1 | 0 | 0 | 0 | 111.2 | E317 K320 V438 S446 E447 Q448 | E317-L444 HydrophobicContact CG-CD2 4.45Å; E317-L444 WeakPolarHBondContact OE1-CA 3.43Å; E317-L444 WeakPolarHBondContact OE2-CB 3.43Å; K320-L444 HydrophobicContact CG-CD1 3.97Å; V438-L444 WeakPolarHBondContact CG1-O 3.33Å; L444-S446 PolarHBondContact O-N 3.08Å; L444-E447 HydrophobicContact CB-CG 4.15Å; L444-E447 PolarHBondContact N-OE2 3.15Å; L444-E447 WeakPolarHBondContact O-CB 3.42Å; L444-E447 PolarHBondContact O-N 2.98Å; L444-E447 VanDerWaalsContact O-N 3.1Å; L444-Q448 PolarHBondContact O-N 2.8Å | ||
| 445 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -37.7 | 173.1 | -70.2 | 176.1 | 0 | 0 | 0 | 112 | I302 V315 E317 F327 L335 L434 T435 V438 E447 Q448 L449 | I302-L445 HydrophobicContact CD1-CD1 4.1Å; V315-L445 HydrophobicContact CG1-CD1 4.31Å; E317-L445 PolarHBondContact OE1-N 2.96Å; E317-L445 PolarHBondContact OE2-N 2.81Å; F327-L445 HydrophobicContact CE1-CB 4.16Å; F327-L445 HydrophobicContact CE2-CB 4.18Å; F327-L445 HydrophobicContact CE2-CD1 4.16Å; F327-L445 HydrophobicContact CZ-CB 3.56Å; F327-L445 HydrophobicContact CZ-CD1 4.38Å; L335-L445 HydrophobicContact CD1-CB 4.45Å; L434-L445 HydrophobicContact CD2-CD2 3.29Å; T435-L445 HydrophobicContact CG2-CD1 4.27Å; T435-L445 HydrophobicContact CG2-CD2 4.49Å; T435-L445 HydrophobicContact CG2-CG 4.37Å; V438-L445 HydrophobicContact CB-CD2 4.28Å; V438-L445 HydrophobicContact CG1-CD2 4.39Å; V438-L445 HydrophobicContact CG2-CD2 4.24Å; L445-E447 VanDerWaalsContact C-N 3.31Å; L445-E447 PolarHBondContact O-N 3.45Å; L445-Q448 PolarHBondContact O-N 3.21Å; L445-L449 WeakPolarHBondContact O-CB 3.37Å; L445-L449 PolarHBondContact O-N 2.86Å |
| 446 | S | 98.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -35.7 | 175.4 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | E317 Q319 L444 L449 I450 | E317-S446 PolarHBondContact OE2-N 3.43Å; Q319-S446 VanDerWaalsContact OE1-CB 3.28Å; Q319-S446 PolarHBondContact OE1-OG 3.15Å; L444-S446 PolarHBondContact O-N 3.08Å; S446-L449 PolarHBondContact O-N 3.3Å; S446-I450 WeakPolarHBondContact O-CG1 3.49Å; S446-I450 PolarHBondContact O-N 2.9Å; S446-I450 VanDerWaalsContact O-N 3.12Å |
| 447 | E | 98.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.3 | -41.2 | 176.1 | -64 | 176.6 | 137.4 | 0 | 0 | 110.6 | K320 K443 L444 L445 L449 I450 E451 | K320-E447 VanDerWaalsContact NZ-CD 3.34Å; K320-E447 IonicContact NZ-OE1 2.82Å; K320-E447 PolarHBondContact NZ-OE1 3.39Å; K320-E447 IonicContact NZ-OE2 2.85Å; K320-E447 PolarHBondContact NZ-OE2 3.17Å; K443-E447 WeakPolarHBondContact CA-OE2 3.36Å; K443-E447 HydrophobicContact CB-CB 4.35Å; L444-E447 HydrophobicContact CB-CG 4.15Å; L444-E447 PolarHBondContact N-OE2 3.15Å; L444-E447 WeakPolarHBondContact O-CB 3.42Å; L444-E447 PolarHBondContact O-N 2.98Å; L444-E447 VanDerWaalsContact O-N 3.1Å; L445-E447 VanDerWaalsContact C-N 3.31Å; L445-E447 PolarHBondContact O-N 3.45Å; E447-L449 VanDerWaalsContact C-N 3.27Å; E447-L449 PolarHBondContact O-N 3.46Å; E447-I450 PolarHBondContact O-N 3.31Å; E447-E451 PolarHBondContact O-N 2.95Å; E447-E451 VanDerWaalsContact O-N 3.15Å |
| 448 | Q | 98.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | 172.6 | -175.4 | 59.4 | 69.5 | 0 | 0 | 111.8 | L335 W338 V438 L444 L445 E451 I452 | L335-Q448 HydrophobicContact CD2-CB 4.45Å; L335-Q448 HydrophobicContact CD2-CG 4.28Å; W338-Q448 HydrophobicContact CE3-CG 4.26Å; W338-Q448 VanDerWaalsContact CH2-CD 3.46Å; W338-Q448 HydrophobicContact CH2-CG 3.85Å; W338-Q448 HydrophobicContact CZ2-CG 4.49Å; W338-Q448 HydrophobicContact CZ3-CG 3.73Å; V438-Q448 HydrophobicContact CG1-CB 3.86Å; V438-Q448 HydrophobicContact CG2-CB 3.95Å; V438-Q448 HydrophobicContact CG2-CG 3.75Å; L444-Q448 PolarHBondContact O-N 2.8Å; L445-Q448 PolarHBondContact O-N 3.21Å; Q448-E451 PolarHBondContact NE2-OE2 3.45Å; Q448-E451 WeakPolarHBondContact O-CB 3.32Å; Q448-E451 PolarHBondContact O-N 3.38Å; Q448-I452 HydrophobicContact CG-CD1 4.27Å; Q448-I452 WeakPolarHBondContact O-CG1 3.49Å; Q448-I452 PolarHBondContact O-N 2.9Å |
| 449 | L | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.1 | -176.7 | 65.2 | 0 | 0 | 0 | 112.1 | E331 A334 L335 L445 S446 E447 E451 I452 Y453 | E331-L449 HydrophobicContact CB-CD2 3.76Å; E331-L449 HydrophobicContact CG-CD2 3.7Å; A334-L449 HydrophobicContact CB-CD1 3.75Å; L335-L449 HydrophobicContact CD2-CB 4.41Å; L335-L449 HydrophobicContact CG-CD1 4.33Å; L445-L449 WeakPolarHBondContact O-CB 3.37Å; L445-L449 PolarHBondContact O-N 2.86Å; S446-L449 PolarHBondContact O-N 3.3Å; E447-L449 VanDerWaalsContact C-N 3.27Å; E447-L449 PolarHBondContact O-N 3.46Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 2.86Å; L449-I452 WeakPolarHBondContact O-CB 3.4Å; L449-I452 PolarHBondContact O-N 2.62Å; L449-Y453 HydrophobicContact CD1-CD2 4.4Å; L449-Y453 HydrophobicContact CD1-CE1 4.15Å; L449-Y453 HydrophobicContact CD1-CE2 3.75Å; L449-Y453 HydrophobicContact CD2-CE2 3.88Å; L449-Y453 HydrophobicContact CG-CD2 4.03Å; L449-Y453 HydrophobicContact CG-CE2 3.48Å; L449-Y453 VanDerWaalsContact CG-CE2 3.48Å; L449-Y453 WeakPolarHBondContact O-CD2 3.45Å; L449-Y453 PolarHBondContact O-N 3.11Å |
| 450 | I | 95.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 41.7 Ų | 41.7 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 172.7 | -69.1 | 164.2 | 0 | 0 | 0 | 110.6 | S446 E447 Y453 N454 | S446-I450 WeakPolarHBondContact O-CG1 3.49Å; S446-I450 PolarHBondContact O-N 2.9Å; S446-I450 VanDerWaalsContact O-N 3.12Å; E447-I450 PolarHBondContact O-N 3.31Å; I450-Y453 PolarHBondContact O-N 2.88Å; I450-N454 WeakPolarHBondContact O-CB 3.45Å; I450-N454 PolarHBondContact O-N 3.18Å; I450-N454 PolarHBondContact O-ND2 2.94Å; I450-N454 PolarHBondContact O-OD1 2.93Å |
| 451 | E | 95.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 176.1 | -68.6 | -174.7 | 165.1 | 0 | 0 | 112.8 | K443 E447 Q448 L449 Y453 N454 I455 | K443-E451 WeakPolarHBondContact CE-OE1 3.47Å; K443-E451 IonicContact NZ-OE1 3.51Å; K443-E451 PolarHBondContact NZ-OE1 3.31Å; K443-E451 IonicContact NZ-OE2 3.77Å; K443-E451 PolarHBondContact NZ-OE2 3.01Å; E447-E451 PolarHBondContact O-N 2.95Å; E447-E451 VanDerWaalsContact O-N 3.15Å; Q448-E451 PolarHBondContact NE2-OE2 3.45Å; Q448-E451 WeakPolarHBondContact O-CB 3.32Å; Q448-E451 PolarHBondContact O-N 3.38Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 2.86Å; E451-Y453 VanDerWaalsContact C-N 3.33Å; E451-Y453 PolarHBondContact O-N 3.31Å; E451-N454 PolarHBondContact O-N 3.36Å; E451-I455 WeakPolarHBondContact O-CG1 3.48Å; E451-I455 PolarHBondContact O-N 3.23Å |
| 452 | I | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 173.3 | -69 | 166.5 | 0 | 0 | 0 | 109.3 | A334 L335 W338 I367 I371 Q448 L449 N454 I455 Y456 | A334-I452 HydrophobicContact CB-CG2 4.38Å; L335-I452 HydrophobicContact CD2-CD1 3.87Å; W338-I452 HydrophobicContact CB-CD1 3.61Å; W338-I452 HydrophobicContact CB-CG1 3.92Å; W338-I452 HydrophobicContact CD2-CD1 3.81Å; W338-I452 HydrophobicContact CD2-CG1 4.02Å; W338-I452 HydrophobicContact CE3-CD1 3.89Å; W338-I452 HydrophobicContact CG-CD1 3.71Å; W338-I452 HydrophobicContact CG-CG1 3.72Å; I367-I452 HydrophobicContact CD1-CG2 4.44Å; I371-I452 HydrophobicContact CD1-CG2 4.45Å; Q448-I452 HydrophobicContact CG-CD1 4.27Å; Q448-I452 WeakPolarHBondContact O-CG1 3.49Å; Q448-I452 PolarHBondContact O-N 2.9Å; L449-I452 WeakPolarHBondContact O-CB 3.4Å; L449-I452 PolarHBondContact O-N 2.62Å; I452-N454 VanDerWaalsContact C-N 3.29Å; I452-N454 PolarHBondContact O-N 3.29Å; I452-I455 PolarHBondContact O-N 3.43Å; I452-Y456 HydrophobicContact CB-CD2 4.49Å; I452-Y456 HydrophobicContact CG2-CD2 3.78Å; I452-Y456 HydrophobicContact CG2-CE2 4.32Å; I452-Y456 VanDerWaalsContact O-CD2 3.22Å; I452-Y456 WeakPolarHBondContact O-CD2 3.27Å; I452-Y456 PolarHBondContact O-N 2.68Å |
| 453 | Y | 95.3 | Very high | 96.1 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -26 | 178.3 | -64 | -38 | 0 | 0 | 0 | 114 | A334 I367 L449 I450 E451 G457 Q458 H459 | A334-Y453 HydrophobicContact CB-CE1 4.33Å; I367-Y453 HydrophobicContact CD1-CD1 4.05Å; I367-Y453 HydrophobicContact CD1-CE1 4.13Å; I367-Y453 HydrophobicContact CG1-CE1 4.16Å; L449-Y453 HydrophobicContact CD1-CD2 4.4Å; L449-Y453 HydrophobicContact CD1-CE1 4.15Å; L449-Y453 HydrophobicContact CD1-CE2 3.75Å; L449-Y453 HydrophobicContact CD2-CE2 3.88Å; L449-Y453 HydrophobicContact CG-CD2 4.03Å; L449-Y453 HydrophobicContact CG-CE2 3.48Å; L449-Y453 VanDerWaalsContact CG-CE2 3.48Å; L449-Y453 WeakPolarHBondContact O-CD2 3.45Å; L449-Y453 PolarHBondContact O-N 3.11Å; I450-Y453 PolarHBondContact O-N 2.88Å; E451-Y453 VanDerWaalsContact C-N 3.33Å; E451-Y453 PolarHBondContact O-N 3.31Å; Y453-G457 WeakPolarHBondContact CA-O 3.38Å; Y453-G457 CarbonylContact O-C 3.58Å; Y453-G457 WeakPolarHBondContact O-CA 3.49Å; Y453-G457 PolarHBondContact O-N 3.49Å; Y453-G457 VanDerWaalsContact O-O 3.06Å; Y453-Q458 PolarHBondContact O-NE2 3.43Å; Y453-H459 HydrophobicContact CE1-CB 4.17Å |
| 454 | N | 92.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 34.3 Ų | 34.3 | 53% | 0.529 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.8 | -35 | 173.4 | -70.6 | -19.3 | 0 | 0 | 0 | 112.1 | I450 E451 I452 Q458 | I450-N454 WeakPolarHBondContact O-CB 3.45Å; I450-N454 PolarHBondContact O-N 3.18Å; I450-N454 PolarHBondContact O-ND2 2.94Å; I450-N454 PolarHBondContact O-OD1 2.93Å; E451-N454 PolarHBondContact O-N 3.36Å; I452-N454 VanDerWaalsContact C-N 3.29Å; I452-N454 PolarHBondContact O-N 3.29Å; N454-Q458 PolarHBondContact OD1-NE2 3.42Å |
| 455 | I | 93.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 35.6 Ų | 35.6 | 42% | 0.415 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -77.7 | -51.4 | 178.4 | -65.4 | 165.6 | 0 | 0 | 0 | 110.5 | E451 I452 | E451-I455 WeakPolarHBondContact O-CG1 3.48Å; E451-I455 PolarHBondContact O-N 3.23Å; I452-I455 PolarHBondContact O-N 3.43Å |
| 456 | Y | 94.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -97.3 | 0.1 | -170.6 | -56.7 | -74 | 0 | 0 | 0 | 113.5 | W338 T370 I371 H374 E375 I452 | W338-Y456 AromaticContact CD1-CE2 3.99Å; T370-Y456 WeakPolarHBondContact CG2-O 3.32Å; I371-Y456 HydrophobicContact CB-CD1 4.31Å; I371-Y456 HydrophobicContact CB-CE1 4.31Å; I371-Y456 HydrophobicContact CD1-CD2 4.43Å; I371-Y456 HydrophobicContact CG1-CD1 3.85Å; I371-Y456 HydrophobicContact CG1-CD2 3.74Å; I371-Y456 HydrophobicContact CG1-CE1 4.07Å; I371-Y456 HydrophobicContact CG1-CE2 3.99Å; I371-Y456 HydrophobicContact CG1-CG 3.67Å; I371-Y456 HydrophobicContact CG2-CE1 4.33Å; H374-Y456 HydrophobicContact CB-CD1 3.77Å; H374-Y456 HydrophobicContact CB-CE1 3.74Å; H374-Y456 AromaticContact CG-CD1 3.89Å; H374-Y456 AromaticContact CG-CE1 3.64Å; H374-Y456 AromaticContact ND1-CE1 3.44Å; H374-Y456 WeakPolarHBondContact ND1-CE1 3.4Å; E375-Y456 HydrophobicContact CG-CE1 4.4Å; E375-Y456 WeakPolarHBondContact OE1-CE1 3.39Å; E375-Y456 PolarHBondContact OE1-OH 3.48Å; I452-Y456 HydrophobicContact CB-CD2 4.49Å; I452-Y456 HydrophobicContact CG2-CD2 3.78Å; I452-Y456 HydrophobicContact CG2-CE2 4.32Å; I452-Y456 VanDerWaalsContact O-CD2 3.22Å; I452-Y456 WeakPolarHBondContact O-CD2 3.27Å; I452-Y456 PolarHBondContact O-N 2.68Å |
| 457 | G | 93.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | trans | 92.5 | 158.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y453 H459 | Y453-G457 WeakPolarHBondContact CA-O 3.38Å; Y453-G457 CarbonylContact O-C 3.58Å; Y453-G457 WeakPolarHBondContact O-CA 3.49Å; Y453-G457 PolarHBondContact O-N 3.49Å; Y453-G457 VanDerWaalsContact O-O 3.06Å; G457-H459 PolarHBondContact O-CD2 2.85Å | ||
| 458 | Q | 95.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | trans | -79.7 | 138.1 | -178.9 | -58.1 | -65.6 | -37.6 | 0 | 0 | 109.8 | Y453 N454 R560 S561 L572 | Y453-Q458 PolarHBondContact O-NE2 3.43Å; N454-Q458 PolarHBondContact OD1-NE2 3.42Å; Q458-R560 CarbonylContact O-C 3.54Å; Q458-R560 WeakPolarHBondContact O-CA 3.49Å; Q458-S561 WeakPolarHBondContact CB-OG 3.49Å; Q458-S561 PolarHBondContact N-OG 2.91Å; Q458-S561 PolarHBondContact O-N 3.05Å; Q458-L572 HydrophobicContact CB-CD1 3.75Å; Q458-L572 HydrophobicContact CG-CD1 3.98Å | ||
| 459 | H | 96.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 96.8 | 176.5 | -77.1 | -109 | 0 | 0 | 0 | 109.2 | I367 T370 Y453 G457 E558 R560 | I367-H459 WeakPolarHBondContact CA-CE1 3.43Å; I367-H459 HydrophobicContact CB-CB 4.41Å; I367-H459 VanDerWaalsContact CD1-CD2 3.49Å; I367-H459 WeakPolarHBondContact CD1-CD2 3.28Å; I367-H459 PolarHBondContact N-CE1 3.39Å; I367-H459 PolarHBondContact N-ND1 2.91Å; T370-H459 PolarHBondContact OG1-CE1 3.33Å; T370-H459 VanDerWaalsContact OG1-CE1 3.26Å; T370-H459 PolarHBondContact OG1-NE2 2.86Å; Y453-H459 HydrophobicContact CE1-CB 4.17Å; G457-H459 PolarHBondContact O-CD2 2.85Å; H459-E558 IonicContact CE1-OE1 3.86Å; H459-E558 IonicContact CG-OE1 3.42Å; H459-E558 VanDerWaalsContact ND1-CD 3.29Å; H459-E558 IonicContact ND1-OE1 2.66Å; H459-E558 PolarHBondContact ND1-OE1 2.97Å; H459-E558 IonicContact ND1-OE2 2.7Å; H459-R560 WeakPolarHBondContact CE1-CD 3.31Å; H459-R560 VanDerWaalsContact CE1-CG 3.45Å; H459-R560 WeakPolarHBondContact CE1-CG 3.37Å |
| 460 | I | 96.5 | Very high | 93.9 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.2 | -179.3 | -49.4 | -54.2 | 0 | 0 | 0 | 108.3 | E558 L559 V569 L572 L576 | I460-E558 CarbonylContact O-C 3.51Å; I460-E558 WeakPolarHBondContact O-CA 3.29Å; I460-L559 PolarHBondContact N-O 3.11Å; I460-L559 PolarHBondContact O-N 2.91Å; I460-V569 HydrophobicContact CD1-CG1 3.91Å; I460-L572 HydrophobicContact CG1-CB 3.89Å; I460-L576 HydrophobicContact CB-CD2 4.31Å; I460-L576 HydrophobicContact CG2-CD2 4.06Å; I460-L576 WeakPolarHBondContact O-CD2 3.37Å |
| 461 | S | 96.1 | Very high | 93.5 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.9 | -179.9 | -59.8 | 0 | 0 | 0 | 0 | 112 | N330 S557 | N330-S461 PolarHBondContact ND2-OG 2.82Å; S461-S557 CarbonylContact C-O 3.56Å; S461-S557 VanDerWaalsContact CA-O 3.24Å; S461-S557 WeakPolarHBondContact CA-O 3.48Å |
| 462 | N | 95.2 | Very high | 93.4 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | trans | -141.9 | 98 | 171.5 | -175.1 | -15.5 | 0 | 0 | 0 | 109.2 | S557 L576 Q577 V580 | N462-S557 PolarHBondContact N-O 3.35Å; N462-S557 PolarHBondContact O-N 3.11Å; N462-S557 PolarHBondContact O-OG 3.42Å; N462-L576 HydrophobicContact CB-CD2 3.8Å; N462-L576 HydrophobicContact CB-CG 4.11Å; N462-Q577 PolarHBondContact ND2-OE1 2.96Å; N462-V580 HydrophobicContact CB-CG2 4.16Å | ||
| 463 | N | 93.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | trans | -108 | 147.9 | -175.8 | -58.7 | -19.9 | 0 | 0 | 0 | 109.5 | Y555 Y556 S557 | N463-Y555 WeakPolarHBondContact CA-O 3.29Å; N463-Y556 HydrophobicContact CB-CD1 4.17Å; N463-Y556 VanDerWaalsContact OD1-CA 3.26Å; N463-Y556 WeakPolarHBondContact OD1-CA 3.35Å; N463-S557 PolarHBondContact OD1-N 3.11Å; N463-S557 VanDerWaalsContact OD1-N 3.11Å | ||
| 464 | G | 92.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 179.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K554 Y555 | G464-K554 CarbonylContact O-C 3.48Å; G464-K554 WeakPolarHBondContact O-CA 3.25Å; G464-Y555 VanDerWaalsContact C-CE1 3.41Å; G464-Y555 VanDerWaalsContact CA-CZ 3.41Å; G464-Y555 PolarHBondContact N-O 3.32Å; G464-Y555 WeakPolarHBondContact O-CD1 3.38Å; G464-Y555 PolarHBondContact O-N 3.44Å |
| 465 | Y | 92.7 | Very high | 93.1 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 159.7 | -178.9 | 64.3 | -93.7 | 0 | 0 | 0 | 112 | F467 K552 I553 R598 | Y465-F467 HydrophobicContact CD2-CE2 4.39Å; Y465-F467 HydrophobicContact CE2-CD2 4.3Å; Y465-F467 AromaticContact CE2-CE2 3.65Å; Y465-F467 HydrophobicContact CE2-CE2 3.65Å; Y465-F467 AromaticContact CE2-CZ 3.83Å; Y465-F467 HydrophobicContact CE2-CZ 3.83Å; Y465-K552 HydrophobicContact CD2-CD 3.75Å; Y465-K552 HydrophobicContact CD2-CG 4.13Å; Y465-K552 HydrophobicContact CE2-CD 3.95Å; Y465-K552 HydrophobicContact CG-CD 4.28Å; Y465-I553 CarbonylContact C-O 3.57Å; Y465-I553 WeakPolarHBondContact CA-O 3.37Å; Y465-I553 WeakPolarHBondContact CB-O 3.47Å; Y465-R598 HydrophobicContact CE2-CB 4.19Å; Y465-R598 HydrophobicContact CE2-CG 4.36Å; Y465-R598 WeakPolarHBondContact OH-CD 3.36Å; Y465-R598 WeakPolarHBondContact OH-CG 3.29Å; Y465-R598 PolarHBondContact OH-NE 3.18Å |
| 466 | Y | 94.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.9 | 169.4 | -76 | -107 | 0 | 0 | 0 | 109.8 | K552 I553 Y555 I584 Y588 P590 F595 L596 P597 | Y466-K552 VanDerWaalsContact O-CA 3.29Å; Y466-K552 WeakPolarHBondContact O-CA 3.47Å; Y466-I553 PolarHBondContact N-O 2.86Å; Y466-I553 PolarHBondContact O-N 2.84Å; Y466-Y555 HydrophobicContact CE2-CE1 4.4Å; Y466-I584 HydrophobicContact CE2-CD1 4.37Å; Y466-I584 HydrophobicContact CE2-CG1 4.32Å; Y466-I584 HydrophobicContact CE2-CG2 4.39Å; Y466-I584 WeakPolarHBondContact OH-CG2 3.13Å; Y466-Y588 AromaticContact CD2-CD2 3.66Å; Y466-Y588 HydrophobicContact CD2-CD2 3.66Å; Y466-Y588 AromaticContact CD2-CE2 3.77Å; Y466-Y588 HydrophobicContact CD2-CE2 3.77Å; Y466-Y588 HydrophobicContact CE2-CD2 4.02Å; Y466-Y588 HydrophobicContact CE2-CE2 4.37Å; Y466-Y588 HydrophobicContact CG-CD2 4.34Å; Y466-P590 HydrophobicContact CD1-CB 4.1Å; Y466-P590 HydrophobicContact CE1-CB 3.75Å; Y466-P590 HydrophobicContact CE1-CG 4.25Å; Y466-F595 HydrophobicContact CD1-CB 3.77Å; Y466-F595 HydrophobicContact CG-CB 4.12Å; Y466-L596 CarbonylContact C-O 3.48Å; Y466-L596 WeakPolarHBondContact CA-O 3.25Å; Y466-L596 WeakPolarHBondContact CD1-O 3.42Å; Y466-P597 HydrophobicContact CD1-CB 4.35Å; Y466-P597 HydrophobicContact CE1-CB 3.93Å |
| 467 | F | 92.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 25% | 0.25 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.9 | 169.2 | -64.2 | -90.6 | 0 | 0 | 0 | 110.4 | Y465 P551 K552 F595 L596 | Y465-F467 HydrophobicContact CD2-CE2 4.39Å; Y465-F467 HydrophobicContact CE2-CD2 4.3Å; Y465-F467 AromaticContact CE2-CE2 3.65Å; Y465-F467 HydrophobicContact CE2-CE2 3.65Å; Y465-F467 AromaticContact CE2-CZ 3.83Å; Y465-F467 HydrophobicContact CE2-CZ 3.83Å; F467-P551 CarbonylContact C-O 3.55Å; F467-P551 WeakPolarHBondContact CA-O 3.33Å; F467-K552 HydrophobicContact CD1-CG 3.91Å; F467-K552 HydrophobicContact CE1-CD 4.24Å; F467-K552 HydrophobicContact CE1-CG 4.04Å; F467-F595 WeakPolarHBondContact O-CA 3.43Å; F467-L596 HydrophobicContact CB-CB 4.23Å; F467-L596 PolarHBondContact N-O 2.86Å; F467-L596 PolarHBondContact O-N 3.44Å |
| 468 | C | 91.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | trans | -145.3 | 115.4 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | E470 I474 P551 F595 | C468-E470 VanDerWaalsContact C-N 3.33Å; C468-E470 PolarHBondContact SG-O 3.38Å; C468-E470 VanDerWaalsContact SG-O 3.36Å; C468-I474 HydrophobicContact CB-CD1 3.88Å; C468-I474 HydrophobicContact CB-CG1 3.86Å; C468-P551 PolarHBondContact N-O 3.36Å; C468-P551 WeakPolarHBondContact O-CB 3.39Å; C468-F595 HydrophobicContact CB-CD1 3.63Å; C468-F595 HydrophobicContact CB-CE1 3.79Å; C468-F595 VanDerWaalsContact SG-CE1 3.54Å | ||
| 469 | H | 88.2 | Confident | 93.3 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.597 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -90.2 | 2.2 | -179.5 | -61.3 | -76.7 | 0 | 0 | 0 | 113.2 | P471 | H469-P471 WeakPolarHBondContact O-CD 3.44Š|
| 470 | E | 89.8 | Confident | 93.3 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | trans | -118.5 | 88.2 | -179.3 | -68.5 | 174.2 | -96.6 | 0 | 0 | 109.7 | C468 E472 K473 | C468-E470 VanDerWaalsContact C-N 3.33Å; C468-E470 PolarHBondContact SG-O 3.38Å; C468-E470 VanDerWaalsContact SG-O 3.36Å; E470-E472 PolarHBondContact O-N 3.28Å; E470-K473 HydrophobicContact CB-CB 4.44Å; E470-K473 HydrophobicContact CB-CD 4.08Å; E470-K473 HydrophobicContact CB-CG 4.04Å; E470-K473 VanDerWaalsContact CD-CE 3.46Å; E470-K473 WeakPolarHBondContact O-CB 3.47Å; E470-K473 PolarHBondContact O-N 3.31Å; E470-K473 WeakPolarHBondContact OE1-CE 3.46Å; E470-K473 IonicContact OE1-NZ 3.09Å; E470-K473 PolarHBondContact OE1-NZ 2.9Å; E470-K473 WeakPolarHBondContact OE2-CE 3.28Å; E470-K473 IonicContact OE2-NZ 3.09Å; E470-K473 PolarHBondContact OE2-NZ 2.85Å; E470-K473 VanDerWaalsContact OE2-NZ 3.09Å | ||
| 471 | P | 87.6 | Confident | 93.3 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -53.5 | -32.1 | -174.5 | -28.4 | 35.4 | 0 | 0 | 0 | 114.4 | H469 K473 I474 V475 | H469-P471 WeakPolarHBondContact O-CD 3.44Å; P471-K473 VanDerWaalsContact C-N 3.29Å; P471-K473 PolarHBondContact O-N 2.87Å; P471-I474 WeakPolarHBondContact O-CB 3.32Å; P471-I474 PolarHBondContact O-N 3.27Å; P471-V475 WeakPolarHBondContact O-CG2 3.39Å; P471-V475 PolarHBondContact O-N 3.36Å |
| 472 | E | 91.9 | Very high | 93.3 | Very high | 168 Ų | 168 | 56.1 Ų | 56.1 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.7 | -35.6 | 177.5 | -62.5 | -178.6 | -176.4 | 0 | 0 | 112.7 | E470 V475 K476 | E470-E472 PolarHBondContact O-N 3.28Å; E472-V475 PolarHBondContact O-N 2.65Å; E472-K476 WeakPolarHBondContact O-CB 3.33Å; E472-K476 PolarHBondContact O-N 3Å |
| 473 | K | 93.7 | Very high | 93.4 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 27% | 0.274 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 177.1 | -66.4 | -171.7 | 177.9 | 164 | 0 | 111.6 | E470 P471 K476 M477 N593 F595 | E470-K473 HydrophobicContact CB-CB 4.44Å; E470-K473 HydrophobicContact CB-CD 4.08Å; E470-K473 HydrophobicContact CB-CG 4.04Å; E470-K473 VanDerWaalsContact CD-CE 3.46Å; E470-K473 WeakPolarHBondContact O-CB 3.47Å; E470-K473 PolarHBondContact O-N 3.31Å; E470-K473 WeakPolarHBondContact OE1-CE 3.46Å; E470-K473 IonicContact OE1-NZ 3.09Å; E470-K473 PolarHBondContact OE1-NZ 2.9Å; E470-K473 WeakPolarHBondContact OE2-CE 3.28Å; E470-K473 IonicContact OE2-NZ 3.09Å; E470-K473 PolarHBondContact OE2-NZ 2.85Å; E470-K473 VanDerWaalsContact OE2-NZ 3.09Å; P471-K473 VanDerWaalsContact C-N 3.29Å; P471-K473 PolarHBondContact O-N 2.87Å; K473-K476 PolarHBondContact O-N 3.33Å; K473-M477 WeakPolarHBondContact O-CB 3.5Å; K473-M477 PolarHBondContact O-N 2.91Å; K473-N593 WeakPolarHBondContact CD-O 3.46Å; K473-F595 HydrophobicContact CB-CE1 4.49Å |
| 474 | I | 92.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 173.2 | -57.5 | 173.4 | 0 | 0 | 0 | 110 | C468 P471 K476 M477 F478 T546 I553 F595 | C468-I474 HydrophobicContact CB-CD1 3.88Å; C468-I474 HydrophobicContact CB-CG1 3.86Å; P471-I474 WeakPolarHBondContact O-CB 3.32Å; P471-I474 PolarHBondContact O-N 3.27Å; I474-K476 VanDerWaalsContact C-N 3.31Å; I474-K476 PolarHBondContact O-N 2.9Å; I474-M477 WeakPolarHBondContact O-CB 3.32Å; I474-M477 PolarHBondContact O-N 3.24Å; I474-F478 HydrophobicContact CG2-CD2 3.67Å; I474-F478 HydrophobicContact CG2-CE2 3.7Å; I474-F478 WeakPolarHBondContact O-CD2 3.45Å; I474-F478 PolarHBondContact O-N 3.3Å; I474-T546 HydrophobicContact CD1-CG2 4.37Å; I474-T546 HydrophobicContact CG2-CG2 3.54Å; I474-I553 HydrophobicContact CG2-CD1 4.3Å; I474-F595 HydrophobicContact CG1-CE1 4.28Å; I474-F595 HydrophobicContact CG1-CZ 4.5Å |
| 475 | V | 93.1 | Very high | 92.1 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | P471 E472 M477 F478 N479 | P471-V475 WeakPolarHBondContact O-CG2 3.39Å; P471-V475 PolarHBondContact O-N 3.36Å; E472-V475 PolarHBondContact O-N 2.65Å; V475-M477 PolarHBondContact O-N 3.04Å; V475-F478 PolarHBondContact O-N 2.64Å; V475-N479 WeakPolarHBondContact O-CB 3.37Å; V475-N479 VanDerWaalsContact O-CG 3.25Å; V475-N479 PolarHBondContact O-N 3.23Å; V475-N479 PolarHBondContact O-ND2 2.88Å |
| 476 | K | 94.8 | Very high | 91.3 | Very high | 148 Ų | 148 | 65 Ų | 65 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 176 | -173.5 | 179.9 | -179.4 | -179.7 | 0 | 112.2 | E472 K473 I474 N479 R480 | E472-K476 WeakPolarHBondContact O-CB 3.33Å; E472-K476 PolarHBondContact O-N 3Å; K473-K476 PolarHBondContact O-N 3.33Å; I474-K476 VanDerWaalsContact C-N 3.31Å; I474-K476 PolarHBondContact O-N 2.9Å; K476-N479 PolarHBondContact O-N 3.4Å; K476-R480 WeakPolarHBondContact O-CB 3.36Å; K476-R480 PolarHBondContact O-N 3.01Å |
| 477 | M | 95.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 176.7 | -177.4 | -136.9 | 65 | 0 | 0 | 111.5 | K473 I474 V475 N479 R480 I481 I553 F587 Y588 F595 | K473-M477 WeakPolarHBondContact O-CB 3.5Å; K473-M477 PolarHBondContact O-N 2.91Å; I474-M477 WeakPolarHBondContact O-CB 3.32Å; I474-M477 PolarHBondContact O-N 3.24Å; V475-M477 PolarHBondContact O-N 3.04Å; M477-N479 PolarHBondContact O-N 2.8Å; M477-R480 WeakPolarHBondContact O-CB 3.4Å; M477-R480 PolarHBondContact O-N 2.81Å; M477-I481 HydrophobicContact CE-CD1 3.92Å; M477-I481 WeakPolarHBondContact O-CG1 3.28Å; M477-I481 PolarHBondContact O-N 2.86Å; M477-I553 HydrophobicContact CE-CD1 3.42Å; M477-I553 VanDerWaalsContact CE-CD1 3.42Å; M477-I553 HydrophobicContact SD-CD1 3.59Å; M477-I553 VanDerWaalsContact SD-CD1 3.59Å; M477-F587 WeakPolarHBondContact CG-O 3.43Å; M477-Y588 HydrophobicContact SD-CD1 3.64Å; M477-Y588 HydrophobicContact SD-CE1 4.15Å; M477-Y588 HydrophobicContact SD-CG 4.34Å; M477-F595 HydrophobicContact CB-CZ 4.28Å; M477-F595 HydrophobicContact CG-CE2 4.35Å; M477-F595 HydrophobicContact CG-CZ 4.41Å; M477-F595 HydrophobicContact SD-CE2 3.65Å; M477-F595 HydrophobicContact SD-CZ 3.98Å |
| 478 | F | 96 | Very high | 89.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.9 | -85.2 | -80.8 | 0 | 0 | 0 | 112.5 | I474 V475 R480 I481 R482 Q530 I532 L544 T546 I553 | I474-F478 HydrophobicContact CG2-CD2 3.67Å; I474-F478 HydrophobicContact CG2-CE2 3.7Å; I474-F478 WeakPolarHBondContact O-CD2 3.45Å; I474-F478 PolarHBondContact O-N 3.3Å; V475-F478 PolarHBondContact O-N 2.64Å; F478-R480 VanDerWaalsContact C-N 3.29Å; F478-R480 PolarHBondContact O-N 3.4Å; F478-I481 WeakPolarHBondContact O-CB 3.41Å; F478-I481 PolarHBondContact O-N 3.32Å; F478-I481 VanDerWaalsContact O-N 3.1Å; F478-R482 WeakPolarHBondContact O-CG 3.3Å; F478-R482 PolarHBondContact O-N 3.07Å; F478-Q530 HydrophobicContact CB-CG 4.36Å; F478-Q530 HydrophobicContact CD1-CB 3.95Å; F478-Q530 HydrophobicContact CD2-CB 3.43Å; F478-Q530 VanDerWaalsContact CD2-CB 3.43Å; F478-Q530 HydrophobicContact CD2-CG 3.55Å; F478-Q530 HydrophobicContact CE1-CB 3.86Å; F478-Q530 HydrophobicContact CE2-CB 3.33Å; F478-Q530 HydrophobicContact CE2-CG 3.93Å; F478-Q530 HydrophobicContact CG-CB 3.76Å; F478-Q530 HydrophobicContact CG-CG 3.92Å; F478-Q530 HydrophobicContact CZ-CB 3.57Å; F478-I532 HydrophobicContact CD1-CD1 3.61Å; F478-I532 HydrophobicContact CD1-CG1 3.91Å; F478-I532 HydrophobicContact CE1-CD1 4.11Å; F478-I532 HydrophobicContact CE1-CG1 3.97Å; F478-L544 HydrophobicContact CE1-CB 4.01Å; F478-L544 HydrophobicContact CZ-CB 4.05Å; F478-T546 HydrophobicContact CE2-CG2 4.36Å; F478-I553 HydrophobicContact CE2-CD1 3.65Å; F478-I553 HydrophobicContact CE2-CG1 4.21Å; F478-I553 HydrophobicContact CZ-CD1 4.13Å |
| 479 | N | 95.5 | Very high | 88.7 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 174.8 | -73.9 | -14.4 | 0 | 0 | 0 | 112 | V475 K476 M477 I481 R482 N483 | V475-N479 WeakPolarHBondContact O-CB 3.37Å; V475-N479 VanDerWaalsContact O-CG 3.25Å; V475-N479 PolarHBondContact O-N 3.23Å; V475-N479 PolarHBondContact O-ND2 2.88Å; K476-N479 PolarHBondContact O-N 3.4Å; M477-N479 PolarHBondContact O-N 2.8Å; N479-I481 VanDerWaalsContact C-N 3.33Å; N479-R482 PolarHBondContact O-N 3.09Å; N479-R482 PolarHBondContact OD1-NH1 3Å; N479-N483 PolarHBondContact O-N 3.03Å; N479-N483 PolarHBondContact O-ND2 3.36Å |
| 480 | R | 96.3 | Very high | 88.3 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 21% | 0.211 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 171.3 | -174.6 | -177.8 | 64.9 | 91.5 | -0.1 | 111.8 | K476 M477 F478 N483 W484 E586 F587 E589 | K476-R480 WeakPolarHBondContact O-CB 3.36Å; K476-R480 PolarHBondContact O-N 3.01Å; M477-R480 WeakPolarHBondContact O-CB 3.4Å; M477-R480 PolarHBondContact O-N 2.81Å; F478-R480 VanDerWaalsContact C-N 3.29Å; F478-R480 PolarHBondContact O-N 3.4Å; R480-N483 CarbonylContact O-C 3.5Å; R480-N483 PolarHBondContact O-N 3.21Å; R480-W484 WeakPolarHBondContact O-CA 3.28Å; R480-W484 PolarHBondContact O-N 2.88Å; R480-E586 VanDerWaalsContact CZ-O 3.3Å; R480-E586 PolarHBondContact NH1-O 2.9Å; R480-E586 PolarHBondContact NH2-O 3.22Å; R480-F587 PolarHBondContact NH2-O 2.89Å; R480-E589 IonicContact CZ-OE2 3.13Å; R480-E589 IonicContact NE-OE2 3.87Å; R480-E589 PolarHBondContact NE-OE2 3.22Å; R480-E589 IonicContact NH1-OE2 2.73Å; R480-E589 IonicContact NH2-OE2 2.69Å; R480-E589 PolarHBondContact NH2-OE2 3.11Å; R480-E589 VanDerWaalsContact NH2-OE2 3.13Å |
| 481 | I | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 174.9 | -66.2 | 169 | 0 | 0 | 0 | 111.8 | M477 F478 N479 N483 W484 P494 I532 F534 L544 F587 | M477-I481 HydrophobicContact CE-CD1 3.92Å; M477-I481 WeakPolarHBondContact O-CG1 3.28Å; M477-I481 PolarHBondContact O-N 2.86Å; F478-I481 WeakPolarHBondContact O-CB 3.41Å; F478-I481 PolarHBondContact O-N 3.32Å; F478-I481 VanDerWaalsContact O-N 3.1Å; N479-I481 VanDerWaalsContact C-N 3.33Å; I481-N483 VanDerWaalsContact C-N 3.3Å; I481-W484 HydrophobicContact CG1-CE3 4.49Å; I481-W484 HydrophobicContact CG1-CZ3 4.36Å; I481-P494 HydrophobicContact CG2-CG 4.5Å; I481-P494 VanDerWaalsContact O-CD 3.29Å; I481-P494 WeakPolarHBondContact O-CD 3.39Å; I481-I532 HydrophobicContact CG2-CD1 4.01Å; I481-F534 HydrophobicContact CG2-CE2 4.31Å; I481-F534 HydrophobicContact CG2-CZ 3.6Å; I481-L544 HydrophobicContact CD1-CD1 3.9Å; I481-F587 HydrophobicContact CD1-CB 3.92Å; I481-F587 HydrophobicContact CD1-CG 4.22Å; I481-F587 HydrophobicContact CG1-CB 4.42Å; I481-F587 HydrophobicContact CG1-CG 4.45Å |
| 482 | R | 96 | Very high | 88.5 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.1 | -21.1 | 175.7 | -67.4 | 177.2 | -177.8 | 104.1 | 14.9 | 114.3 | F478 N479 G492 Y493 D507 T509 Q530 I532 | F478-R482 WeakPolarHBondContact O-CG 3.3Å; F478-R482 PolarHBondContact O-N 3.07Å; N479-R482 PolarHBondContact O-N 3.09Å; N479-R482 PolarHBondContact OD1-NH1 3Å; R482-G492 CarbonylContact C-O 3.6Å; R482-G492 VanDerWaalsContact C-O 3.31Å; R482-G492 CarbonylContact O-C 3.55Å; R482-G492 VanDerWaalsContact O-C 3.25Å; R482-G492 WeakPolarHBondContact O-CA 3.34Å; R482-G492 VanDerWaalsContact O-O 3.04Å; R482-Y493 HydrophobicContact CB-CE1 4.27Å; R482-Y493 HydrophobicContact CG-CE1 3.67Å; R482-D507 IonicContact CZ-OD1 3.93Å; R482-D507 IonicContact CZ-OD2 3.66Å; R482-D507 IonicContact NE-OD1 2.72Å; R482-D507 IonicContact NE-OD2 2.65Å; R482-D507 PolarHBondContact NE-OD2 2.91Å; R482-D507 IonicContact NH2-OD1 2.93Å; R482-D507 PolarHBondContact NH2-OD1 3.12Å; R482-D507 VanDerWaalsContact NH2-OD1 3.11Å; R482-D507 IonicContact NH2-OD2 2.58Å; R482-D507 PolarHBondContact NH2-OD2 3.35Å; R482-D507 VanDerWaalsContact NH2-OD2 3.15Å; R482-T509 PolarHBondContact NH2-OG1 3.2Å; R482-T509 VanDerWaalsContact NH2-OG1 3.14Å; R482-Q530 VanDerWaalsContact CZ-OE1 3.29Å; R482-I532 HydrophobicContact CG-CD1 4.39Å |
| 483 | N | 95.8 | Very high | 88.7 | Confident | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 48 | 176.7 | -56.2 | -86 | 0 | 0 | 0 | 107.9 | N479 R480 I481 | N479-N483 PolarHBondContact O-N 3.03Å; N479-N483 PolarHBondContact O-ND2 3.36Å; R480-N483 CarbonylContact O-C 3.5Å; R480-N483 PolarHBondContact O-N 3.21Å; I481-N483 VanDerWaalsContact C-N 3.3Å |
| 484 | W | 95.3 | Very high | 88.9 | Confident | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -50 | 136.6 | -173.5 | -171.1 | -109.2 | 0 | 0 | 0 | 108.7 | R480 I481 N486 E487 P488 G492 P494 E586 F587 | R480-W484 WeakPolarHBondContact O-CA 3.28Å; R480-W484 PolarHBondContact O-N 2.88Å; I481-W484 HydrophobicContact CG1-CE3 4.49Å; I481-W484 HydrophobicContact CG1-CZ3 4.36Å; W484-N486 CarbonylContact O-C 3.59Å; W484-N486 WeakPolarHBondContact O-CA 3.32Å; W484-N486 PolarHBondContact O-N 2.89Å; W484-E487 PolarHBondContact O-N 3.48Å; W484-P488 HydrophobicContact CB-CG 4.32Å; W484-P488 HydrophobicContact CG-CG 4.39Å; W484-P488 WeakPolarHBondContact O-CD 3.17Å; W484-G492 WeakPolarHBondContact CB-O 3.39Å; W484-G492 PolarHBondContact N-O 2.96Å; W484-P494 HydrophobicContact CB-CB 4.33Å; W484-P494 HydrophobicContact CD2-CB 3.8Å; W484-P494 HydrophobicContact CD2-CG 4.27Å; W484-P494 HydrophobicContact CG-CB 3.7Å; W484-P494 HydrophobicContact CG-CG 4.33Å; W484-E586 HydrophobicContact CH2-CB 3.89Å; W484-E586 VanDerWaalsContact CH2-O 3.26Å; W484-E586 WeakPolarHBondContact CH2-O 3.38Å; W484-E586 HydrophobicContact CZ2-CB 4.26Å; W484-F587 HydrophobicContact CE3-CD1 4.27Å; W484-F587 HydrophobicContact CE3-CE1 4.18Å; W484-F587 AromaticContact CH2-CD1 3.35Å; W484-F587 HydrophobicContact CH2-CD1 3.35Å; W484-F587 AromaticContact CH2-CE1 3.54Å; W484-F587 HydrophobicContact CH2-CE1 3.54Å; W484-F587 HydrophobicContact CZ2-CD1 4.15Å; W484-F587 AromaticContact CZ2-CE1 3.9Å; W484-F587 HydrophobicContact CZ2-CE1 3.9Å; W484-F587 AromaticContact CZ3-CD1 3.4Å; W484-F587 HydrophobicContact CZ3-CD1 3.4Å; W484-F587 AromaticContact CZ3-CE1 3.68Å; W484-F587 HydrophobicContact CZ3-CE1 3.68Å |
| 485 | P | 64.6 | Low | 89 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | 21.6 | 54.1 | 174.2 | -36.7 | 14.6 | 0 | 0 | 0 | 116.3 | ||
| 486 | N | 75.4 | Confident | 89.2 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | 40.6 | 57.8 | -178 | -52.9 | -29.7 | 0 | 0 | 0 | 117.1 | W484 | W484-N486 CarbonylContact O-C 3.59Å; W484-N486 WeakPolarHBondContact O-CA 3.32Å; W484-N486 PolarHBondContact O-N 2.89Å |
| 487 | E | 82.7 | Confident | 89.3 | Confident | 156 Ų | 156 | 55.8 Ų | 55.8 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 100.6 | 37.2 | 160.2 | -51.8 | 179.2 | -157.8 | 0 | 0 | 119.5 | W484 | W484-E487 PolarHBondContact O-N 3.48Š|
| 488 | P | 64.9 | Low | 89.3 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | trans | -80.5 | 136.7 | 162 | 34.2 | -26.9 | 0 | 0 | 0 | 110.4 | W484 G492 Y493 | W484-P488 HydrophobicContact CB-CG 4.32Å; W484-P488 HydrophobicContact CG-CG 4.39Å; W484-P488 WeakPolarHBondContact O-CD 3.17Å; P488-G492 CarbonylContact O-C 3.05Å; P488-Y493 CarbonylContact C-O 3.51Å; P488-Y493 CarbonylContact O-C 3.57Å; P488-Y493 VanDerWaalsContact O-C 3.26Å; P488-Y493 PolarHBondContact O-N 2.85Å | ||
| 489 | G | 74.8 | Confident | 89.3 | Confident | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 97.6 | 156.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K491 G492 Q495 | G489-K491 PolarHBondContact O-N 3.41Å; G489-K491 VanDerWaalsContact O-N 3.17Å; G489-G492 PolarHBondContact O-N 2.91Å; G489-Q495 VanDerWaalsContact CA-CG 3.48Å |
| 490 | P | 81.4 | Confident | 89.4 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -48.3 | 126.7 | 172.1 | -25 | 34 | 0 | 0 | 0 | 110.2 | G492 | P490-G492 PolarHBondContact O-N 3.42Å; P490-G492 VanDerWaalsContact O-N 3.14Å |
| 491 | K | 86.7 | Confident | 89.5 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | 61.4 | 12.9 | -178.7 | -60.3 | -71.5 | -171.5 | 174.7 | 0 | 116.5 | G489 Y493 Y512 | G489-K491 PolarHBondContact O-N 3.41Å; G489-K491 VanDerWaalsContact O-N 3.17Å; K491-Y493 HydrophobicContact CB-CD2 4.08Å; K491-Y493 HydrophobicContact CB-CE2 4.01Å; K491-Y512 HydrophobicContact CB-CE2 4.35Å; K491-Y512 HydrophobicContact CG-CD2 4.06Å; K491-Y512 HydrophobicContact CG-CE2 3.67Å |
| 492 | G | 94.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | 94.6 | 9.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R482 W484 P488 G489 P490 | R482-G492 CarbonylContact C-O 3.6Å; R482-G492 VanDerWaalsContact C-O 3.31Å; R482-G492 CarbonylContact O-C 3.55Å; R482-G492 VanDerWaalsContact O-C 3.25Å; R482-G492 WeakPolarHBondContact O-CA 3.34Å; R482-G492 VanDerWaalsContact O-O 3.04Å; W484-G492 WeakPolarHBondContact CB-O 3.39Å; W484-G492 PolarHBondContact N-O 2.96Å; P488-G492 CarbonylContact O-C 3.05Å; G489-G492 PolarHBondContact O-N 2.91Å; P490-G492 PolarHBondContact O-N 3.42Å; P490-G492 VanDerWaalsContact O-N 3.14Å |
| 493 | Y | 96.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | trans | -88.6 | 147.8 | -177.9 | -69.8 | -79.1 | 0 | 0 | 0 | 114.2 | R482 P488 K491 Q495 I505 D507 V510 Y512 I532 | R482-Y493 HydrophobicContact CB-CE1 4.27Å; R482-Y493 HydrophobicContact CG-CE1 3.67Å; P488-Y493 CarbonylContact C-O 3.51Å; P488-Y493 CarbonylContact O-C 3.57Å; P488-Y493 VanDerWaalsContact O-C 3.26Å; P488-Y493 PolarHBondContact O-N 2.85Å; K491-Y493 HydrophobicContact CB-CD2 4.08Å; K491-Y493 HydrophobicContact CB-CE2 4.01Å; Y493-Q495 PolarHBondContact O-N 3.14Å; Y493-Q495 PolarHBondContact O-NE2 3.3Å; Y493-I505 VanDerWaalsContact CB-CD1 3.41Å; Y493-I505 HydrophobicContact CD1-CG2 4.07Å; Y493-I505 HydrophobicContact CD2-CD1 4.34Å; Y493-I505 HydrophobicContact CD2-CG2 4.15Å; Y493-I505 HydrophobicContact CE1-CG2 4.22Å; Y493-I505 HydrophobicContact CE2-CG2 4.33Å; Y493-I505 HydrophobicContact CG-CD1 3.98Å; Y493-I505 HydrophobicContact CG-CG2 4.04Å; Y493-D507 HydrophobicContact CE1-CB 4.33Å; Y493-D507 WeakPolarHBondContact OH-CB 3.32Å; Y493-D507 PolarHBondContact OH-OD2 3.4Å; Y493-V510 WeakPolarHBondContact OH-CG2 3.14Å; Y493-Y512 HydrophobicContact CD2-CD1 4.38Å; Y493-Y512 HydrophobicContact CD2-CE1 4.14Å; Y493-Y512 AromaticContact CE2-CD1 3.71Å; Y493-Y512 HydrophobicContact CE2-CD1 3.71Å; Y493-Y512 AromaticContact CE2-CE1 3.93Å; Y493-Y512 HydrophobicContact CE2-CE1 3.93Å; Y493-Y512 HydrophobicContact CE2-CG 4.32Å; Y493-I532 HydrophobicContact CE1-CD1 4.21Å | ||
| 494 | P | 96.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -53 | 138.4 | 178 | 25.5 | -34.8 | 0 | 0 | 0 | 111.7 | I481 W484 I502 F534 F587 | I481-P494 HydrophobicContact CG2-CG 4.5Å; I481-P494 VanDerWaalsContact O-CD 3.29Å; I481-P494 WeakPolarHBondContact O-CD 3.39Å; W484-P494 HydrophobicContact CB-CB 4.33Å; W484-P494 HydrophobicContact CD2-CB 3.8Å; W484-P494 HydrophobicContact CD2-CG 4.27Å; W484-P494 HydrophobicContact CG-CB 3.7Å; W484-P494 HydrophobicContact CG-CG 4.33Å; P494-I502 HydrophobicContact CB-CD1 3.95Å; P494-I502 HydrophobicContact CG-CD1 3.94Å; P494-I502 WeakPolarHBondContact O-CD1 2.96Å; P494-F534 HydrophobicContact CG-CE1 3.78Å; P494-F534 HydrophobicContact CG-CZ 4.14Å; P494-F587 HydrophobicContact CB-CE1 4.1Å; P494-F587 HydrophobicContact CB-CZ 4.06Å; P494-F587 HydrophobicContact CG-CE1 3.87Å; P494-F587 HydrophobicContact CG-CZ 3.57Å | ||
| 495 | Q | 96.5 | Very high | 89.8 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -95.8 | -13.3 | 176.3 | -62.4 | -60.7 | -77.2 | 0 | 0 | 112.5 | G489 Y493 Q501 I502 | G489-Q495 VanDerWaalsContact CA-CG 3.48Å; Y493-Q495 PolarHBondContact O-N 3.14Å; Y493-Q495 PolarHBondContact O-NE2 3.3Å; Q495-Q501 VanDerWaalsContact O-CD 3.25Å; Q495-Q501 PolarHBondContact O-NE2 3.14Å; Q495-Q501 PolarHBondContact O-OE1 2.95Å; Q495-I502 WeakPolarHBondContact O-CB 3.36Å; Q495-I502 PolarHBondContact O-N 2.88Å |
| 496 | K | 96.6 | Very high | 91.4 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 163.2 | 176.5 | 65.7 | 178.2 | -175.3 | 176.2 | 0 | 110.1 | F500 | K496-F500 CarbonylContact C-O 3.51Å; K496-F500 WeakPolarHBondContact CA-O 3.32Å; K496-F500 VanDerWaalsContact CB-O 3.3Å; K496-F500 WeakPolarHBondContact CB-O 3.35Å |
| 497 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 112.2 | 171.1 | -179.3 | 62.2 | 0 | 0 | 0 | 107.8 | R499 F500 F536 L579 K582 M583 E586 F587 | L497-R499 PolarHBondContact O-N 3.17Å; L497-F500 PolarHBondContact N-O 2.65Å; L497-F500 WeakPolarHBondContact O-CB 3.16Å; L497-F500 WeakPolarHBondContact O-CD2 3.33Å; L497-F500 PolarHBondContact O-N 3.5Å; L497-F536 HydrophobicContact CB-CE1 3.86Å; L497-F536 HydrophobicContact CB-CZ 4.3Å; L497-F536 HydrophobicContact CD2-CE1 4.44Å; L497-F536 HydrophobicContact CD2-CZ 4.15Å; L497-L579 HydrophobicContact CD2-CD2 4.17Å; L497-L579 HydrophobicContact CD2-CG 4.21Å; L497-K582 HydrophobicContact CD1-CB 4.04Å; L497-K582 HydrophobicContact CD2-CB 4.36Å; L497-K582 HydrophobicContact CG-CB 3.83Å; L497-M583 HydrophobicContact CD2-CB 3.75Å; L497-E586 HydrophobicContact CD1-CB 3.91Å; L497-E586 HydrophobicContact CD1-CG 4.26Å; L497-F587 HydrophobicContact CB-CZ 4.41Å; L497-F587 HydrophobicContact CD1-CD1 4.08Å; L497-F587 HydrophobicContact CD1-CE1 3.75Å; L497-F587 HydrophobicContact CD1-CE2 4.48Å; L497-F587 HydrophobicContact CD1-CZ 3.96Å; L497-F587 HydrophobicContact CD2-CE2 4.2Å; L497-F587 HydrophobicContact CD2-CZ 4.33Å; L497-F587 HydrophobicContact CG-CZ 4.47Å |
| 498 | G | 95.2 | Very high | 93.1 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -121.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E586 | G498-E586 PolarHBondContact N-OE1 3.13Š|
| 499 | R | 97.1 | Very high | 94.5 | Very high | 144 Ų | 144 | 41 Ų | 41 | 54% | 0.543 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.3 | 176 | 70.6 | 173.7 | 176.8 | 92.9 | -2.9 | 114.6 | L497 E575 E578 | L497-R499 PolarHBondContact O-N 3.17Å; R499-E575 IonicContact NH1-OE1 2.8Å; R499-E575 IonicContact NH2-OE1 3.63Å; R499-E578 WeakPolarHBondContact CD-OE1 3.36Å; R499-E578 IonicContact CZ-OE1 3.77Å; R499-E578 IonicContact CZ-OE2 2.82Å; R499-E578 VanDerWaalsContact CZ-OE2 3.29Å; R499-E578 VanDerWaalsContact NE-CD 3.34Å; R499-E578 IonicContact NE-OE1 3.9Å; R499-E578 PolarHBondContact NE-OE1 3.25Å; R499-E578 IonicContact NE-OE2 2.73Å; R499-E578 PolarHBondContact NE-OE2 3.24Å; R499-E578 IonicContact NH2-OE2 3.79Å; R499-E578 PolarHBondContact NH2-OE2 3.03Å |
| 500 | F | 98 | Very high | 95.5 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.9 | -171.6 | -55.8 | -79.2 | 0 | 0 | 0 | 110.7 | K496 L497 F536 N538 E575 E578 L579 | K496-F500 CarbonylContact C-O 3.51Å; K496-F500 WeakPolarHBondContact CA-O 3.32Å; K496-F500 VanDerWaalsContact CB-O 3.3Å; K496-F500 WeakPolarHBondContact CB-O 3.35Å; L497-F500 PolarHBondContact N-O 2.65Å; L497-F500 WeakPolarHBondContact O-CB 3.16Å; L497-F500 WeakPolarHBondContact O-CD2 3.33Å; L497-F500 PolarHBondContact O-N 3.5Å; F500-F536 HydrophobicContact CB-CD1 3.66Å; F500-F536 HydrophobicContact CB-CE1 4.05Å; F500-N538 WeakPolarHBondContact CD1-ND2 3.32Å; F500-N538 WeakPolarHBondContact CE1-ND2 3.27Å; F500-E575 HydrophobicContact CE1-CG 3.79Å; F500-E575 HydrophobicContact CZ-CG 4.18Å; F500-E578 HydrophobicContact CE2-CB 4.26Å; F500-E578 HydrophobicContact CE2-CG 3.97Å; F500-E578 HydrophobicContact CZ-CB 4.11Å; F500-E578 HydrophobicContact CZ-CG 4.1Å; F500-L579 HydrophobicContact CB-CD1 3.9Å; F500-L579 HydrophobicContact CD1-CD1 4.02Å; F500-L579 HydrophobicContact CD2-CB 3.83Å; F500-L579 HydrophobicContact CD2-CD1 3.96Å; F500-L579 HydrophobicContact CD2-CG 3.96Å; F500-L579 HydrophobicContact CE1-CB 4.48Å; F500-L579 HydrophobicContact CE2-CB 3.65Å; F500-L579 HydrophobicContact CE2-CG 4.31Å; F500-L579 HydrophobicContact CG-CB 4.34Å; F500-L579 HydrophobicContact CG-CD1 3.7Å; F500-L579 HydrophobicContact CG-CG 4.23Å; F500-L579 HydrophobicContact CZ-CB 3.99Å |
| 501 | Q | 98 | Very high | 96.2 | Very high | 85 Ų | 85 | 41 Ų | 41 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129 | 179.1 | 179 | 60.3 | 41.6 | 0 | 0 | 110.3 | Q495 F536 S537 | Q495-Q501 VanDerWaalsContact O-CD 3.25Å; Q495-Q501 PolarHBondContact O-NE2 3.14Å; Q495-Q501 PolarHBondContact O-OE1 2.95Å; Q501-F536 CarbonylContact O-C 3.57Å; Q501-F536 VanDerWaalsContact O-CA 3.22Å; Q501-F536 WeakPolarHBondContact O-CA 3.48Å; Q501-S537 PolarHBondContact O-N 3.12Å |
| 502 | I | 98 | Very high | 96.6 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.1 | 172.7 | -65.4 | 165.8 | 0 | 0 | 0 | 108.2 | P494 Q495 I505 F534 D535 F536 F587 | P494-I502 HydrophobicContact CB-CD1 3.95Å; P494-I502 HydrophobicContact CG-CD1 3.94Å; P494-I502 WeakPolarHBondContact O-CD1 2.96Å; Q495-I502 WeakPolarHBondContact O-CB 3.36Å; Q495-I502 PolarHBondContact O-N 2.88Å; I502-I505 HydrophobicContact CG2-CD1 4.15Å; I502-I505 HydrophobicContact CG2-CG1 3.81Å; I502-F534 HydrophobicContact CD1-CD1 3.92Å; I502-F534 HydrophobicContact CD1-CE1 4.4Å; I502-F534 HydrophobicContact CG2-CD1 4.11Å; I502-D535 CarbonylContact C-O 3.6Å; I502-D535 WeakPolarHBondContact CA-O 3.44Å; I502-F536 HydrophobicContact CD1-CE1 4.1Å; I502-F536 HydrophobicContact CD1-CZ 4.37Å; I502-F536 HydrophobicContact CG1-CD1 3.78Å; I502-F536 HydrophobicContact CG1-CE1 3.37Å; I502-F536 HydrophobicContact CG1-CZ 3.9Å; I502-F587 HydrophobicContact CD1-CZ 4.46Å |
| 503 | T | 97 | Very high | 96.8 | Very high | 88 Ų | 88 | 34 Ų | 34 | 54% | 0.54 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -13.4 | -176.5 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | D535 | T503-D535 PolarHBondContact N-O 3.48Å; T503-D535 PolarHBondContact OG1-O 3.34Å |
| 504 | G | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 147 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D514 F534 D535 | G504-D514 WeakPolarHBondContact CA-OD1 3.38Å; G504-F534 WeakPolarHBondContact O-CA 3.34Å; G504-D535 PolarHBondContact N-O 2.94Å; G504-D535 PolarHBondContact O-N 3.45Å |
| 505 | I | 97.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129.1 | -177.9 | -63.4 | 154.7 | 0 | 0 | 0 | 109.4 | Y493 I502 Y512 D514 I532 T533 F534 | Y493-I505 VanDerWaalsContact CB-CD1 3.41Å; Y493-I505 HydrophobicContact CD1-CG2 4.07Å; Y493-I505 HydrophobicContact CD2-CD1 4.34Å; Y493-I505 HydrophobicContact CD2-CG2 4.15Å; Y493-I505 HydrophobicContact CE1-CG2 4.22Å; Y493-I505 HydrophobicContact CE2-CG2 4.33Å; Y493-I505 HydrophobicContact CG-CD1 3.98Å; Y493-I505 HydrophobicContact CG-CG2 4.04Å; I502-I505 HydrophobicContact CG2-CD1 4.15Å; I502-I505 HydrophobicContact CG2-CG1 3.81Å; I505-Y512 HydrophobicContact CB-CE1 4.01Å; I505-Y512 HydrophobicContact CG2-CD1 4.08Å; I505-Y512 HydrophobicContact CG2-CE1 3.89Å; I505-D514 PolarHBondContact N-OD1 3.44Å; I505-D514 PolarHBondContact N-OD2 3.44Å; I505-D514 PolarHBondContact O-N 2.99Å; I505-D514 VanDerWaalsContact O-N 3.09Å; I505-I532 HydrophobicContact CG2-CG2 4.38Å; I505-T533 WeakPolarHBondContact CA-O 3.31Å; I505-F534 HydrophobicContact CG1-CD1 3.81Å; I505-F534 HydrophobicContact CG1-CE1 4.04Å; I505-F534 HydrophobicContact CG2-CE1 4.41Å |
| 506 | R | 97.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116.5 | 171.3 | 176.3 | 177.5 | 65.5 | -164.5 | -3.1 | 110.2 | E381 L508 Y512 D513 I532 T533 | E381-R506 IonicContact OE2-CZ 3.76Å; E381-R506 IonicContact OE2-NH1 3.34Å; E381-R506 PolarHBondContact OE2-NH1 2.89Å; E381-R506 IonicContact OE2-NH2 3.56Å; E381-R506 PolarHBondContact OE2-NH2 2.82Å; R506-L508 HydrophobicContact CG-CD2 3.76Å; R506-L508 HydrophobicContact CG-CG 4.12Å; R506-Y512 CarbonylContact C-O 3.36Å; R506-Y512 WeakPolarHBondContact CA-O 3.09Å; R506-D513 HydrophobicContact CB-CB 4.42Å; R506-D513 WeakPolarHBondContact CD-OD2 3.45Å; R506-D513 HydrophobicContact CG-CB 4.12Å; R506-D513 WeakPolarHBondContact CG-OD2 3.43Å; R506-I532 CarbonylContact O-C 3.25Å; R506-I532 WeakPolarHBondContact O-CA 3.5Å; R506-T533 PolarHBondContact N-O 3.15Å; R506-T533 PolarHBondContact NH2-OG1 3.44Å; R506-T533 PolarHBondContact O-N 3.16Å |
| 507 | D | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 100.2 | 177.6 | -171.7 | -28.9 | 0 | 0 | 0 | 110.5 | R482 Y493 T509 V510 G511 Y512 I532 | R482-D507 IonicContact CZ-OD1 3.93Å; R482-D507 IonicContact CZ-OD2 3.66Å; R482-D507 IonicContact NE-OD1 2.72Å; R482-D507 IonicContact NE-OD2 2.65Å; R482-D507 PolarHBondContact NE-OD2 2.91Å; R482-D507 IonicContact NH2-OD1 2.93Å; R482-D507 PolarHBondContact NH2-OD1 3.12Å; R482-D507 VanDerWaalsContact NH2-OD1 3.11Å; R482-D507 IonicContact NH2-OD2 2.58Å; R482-D507 PolarHBondContact NH2-OD2 3.35Å; R482-D507 VanDerWaalsContact NH2-OD2 3.15Å; Y493-D507 HydrophobicContact CE1-CB 4.33Å; Y493-D507 WeakPolarHBondContact OH-CB 3.32Å; Y493-D507 PolarHBondContact OH-OD2 3.4Å; D507-T509 PolarHBondContact O-N 3.42Å; D507-T509 WeakPolarHBondContact OD1-CA 3.4Å; D507-T509 WeakPolarHBondContact OD1-CB 3.45Å; D507-T509 PolarHBondContact OD1-N 2.91Å; D507-T509 PolarHBondContact OD1-OG1 2.7Å; D507-V510 HydrophobicContact CB-CG2 3.97Å; D507-V510 PolarHBondContact OD1-N 3.31Å; D507-G511 PolarHBondContact O-N 2.96Å; D507-Y512 PolarHBondContact N-O 3.16Å; D507-Y512 PolarHBondContact O-N 3.34Å; D507-I532 HydrophobicContact CB-CG1 4.25Å; D507-I532 HydrophobicContact CB-CG2 4.46Å; D507-I532 WeakPolarHBondContact OD2-CD1 3.34Å |
| 508 | L | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.7 | -178.2 | -56.7 | -176.6 | 0 | 0 | 0 | 113 | L383 R506 P521 L523 V525 S526 L531 | L383-L508 HydrophobicContact CD2-CD1 3.44Å; L383-L508 VanDerWaalsContact CD2-CD1 3.44Å; R506-L508 HydrophobicContact CG-CD2 3.76Å; R506-L508 HydrophobicContact CG-CG 4.12Å; L508-P521 HydrophobicContact CD2-CB 3.37Å; L508-P521 HydrophobicContact CD2-CG 3.7Å; L508-L523 HydrophobicContact CD1-CB 3.97Å; L508-L523 HydrophobicContact CD1-CD1 3.84Å; L508-L523 HydrophobicContact CD2-CB 3.99Å; L508-V525 WeakPolarHBondContact O-CA 3.35Å; L508-V525 VanDerWaalsContact O-CG1 3.29Å; L508-V525 WeakPolarHBondContact O-CG1 3.23Å; L508-S526 PolarHBondContact O-N 3.19Å; L508-L531 HydrophobicContact CB-CB 4.42Å; L508-L531 HydrophobicContact CB-CD2 4.26Å; L508-L531 HydrophobicContact CD1-CD1 4.31Å; L508-L531 HydrophobicContact CD1-CD2 3.82Å; L508-L531 HydrophobicContact CG-CD2 3.99Å; L508-L531 PolarHBondContact N-O 3.45Å |
| 509 | T | 95.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -41.3 | 171.7 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | R482 D507 S529 Q530 L531 | R482-T509 PolarHBondContact NH2-OG1 3.2Å; R482-T509 VanDerWaalsContact NH2-OG1 3.14Å; D507-T509 PolarHBondContact O-N 3.42Å; D507-T509 WeakPolarHBondContact OD1-CA 3.4Å; D507-T509 WeakPolarHBondContact OD1-CB 3.45Å; D507-T509 PolarHBondContact OD1-N 2.91Å; D507-T509 PolarHBondContact OD1-OG1 2.7Å; T509-S529 WeakPolarHBondContact CB-O 2.97Å; T509-S529 WeakPolarHBondContact CG2-O 3.39Å; T509-S529 PolarHBondContact OG1-O 3.26Å; T509-Q530 VanDerWaalsContact OG1-CA 3.24Å; T509-Q530 WeakPolarHBondContact OG1-CA 3.4Å; T509-L531 PolarHBondContact OG1-N 3.42Å |
| 510 | V | 95.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -6.4 | -178.6 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | Y493 D507 | Y493-V510 WeakPolarHBondContact OH-CG2 3.14Å; D507-V510 HydrophobicContact CB-CG2 3.97Å; D507-V510 PolarHBondContact OD1-N 3.31Å |
| 511 | G | 95.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D507 P521 | D507-G511 PolarHBondContact O-N 2.96Å; G511-P521 VanDerWaalsContact C-CD 3.43Å; G511-P521 VanDerWaalsContact O-CD 3.3Å; G511-P521 WeakPolarHBondContact O-CD 3.5Å |
| 512 | Y | 96.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.1 | 177.2 | 174.3 | -99.1 | 0 | 0 | 0 | 110.3 | K491 Y493 I505 R506 D507 D514 L519 | K491-Y512 HydrophobicContact CB-CE2 4.35Å; K491-Y512 HydrophobicContact CG-CD2 4.06Å; K491-Y512 HydrophobicContact CG-CE2 3.67Å; Y493-Y512 HydrophobicContact CD2-CD1 4.38Å; Y493-Y512 HydrophobicContact CD2-CE1 4.14Å; Y493-Y512 AromaticContact CE2-CD1 3.71Å; Y493-Y512 HydrophobicContact CE2-CD1 3.71Å; Y493-Y512 AromaticContact CE2-CE1 3.93Å; Y493-Y512 HydrophobicContact CE2-CE1 3.93Å; Y493-Y512 HydrophobicContact CE2-CG 4.32Å; I505-Y512 HydrophobicContact CB-CE1 4.01Å; I505-Y512 HydrophobicContact CG2-CD1 4.08Å; I505-Y512 HydrophobicContact CG2-CE1 3.89Å; R506-Y512 CarbonylContact C-O 3.36Å; R506-Y512 WeakPolarHBondContact CA-O 3.09Å; D507-Y512 PolarHBondContact N-O 3.16Å; D507-Y512 PolarHBondContact O-N 3.34Å; Y512-D514 HydrophobicContact CE1-CB 4.26Å; Y512-D514 WeakPolarHBondContact OH-CB 3.32Å; Y512-D514 PolarHBondContact OH-OD2 3.02Å; Y512-L519 WeakPolarHBondContact CA-O 3.39Å; Y512-L519 HydrophobicContact CD2-CB 4.22Å; Y512-L519 HydrophobicContact CE2-CB 4.15Å; Y512-L519 HydrophobicContact CE2-CD1 4.27Å; Y512-L519 HydrophobicContact CE2-CD2 4.35Å; Y512-L519 HydrophobicContact CE2-CG 4.5Å |
| 513 | D | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 104.9 | 176 | -165.3 | -14.8 | 0 | 0 | 0 | 110.2 | R506 H515 Y516 L519 P521 | R506-D513 HydrophobicContact CB-CB 4.42Å; R506-D513 WeakPolarHBondContact CD-OD2 3.45Å; R506-D513 HydrophobicContact CG-CB 4.12Å; R506-D513 WeakPolarHBondContact CG-OD2 3.43Å; D513-H515 PolarHBondContact O-N 2.86Å; D513-H515 WeakPolarHBondContact OD1-CB 3.32Å; D513-H515 IonicContact OD1-CE1 3.58Å; D513-H515 IonicContact OD1-CG 2.81Å; D513-H515 PolarHBondContact OD1-N 2.9Å; D513-H515 IonicContact OD1-ND1 2.68Å; D513-H515 PolarHBondContact OD1-ND1 3.49Å; D513-Y516 HydrophobicContact CB-CD2 4.14Å; D513-Y516 PolarHBondContact O-N 3.17Å; D513-Y516 WeakPolarHBondContact OD2-CE2 3.18Å; D513-L519 PolarHBondContact N-O 3.2Å; D513-L519 CarbonylContact O-C 3.46Å; D513-L519 VanDerWaalsContact O-C 3.25Å; D513-L519 VanDerWaalsContact O-CA 3.23Å; D513-L519 WeakPolarHBondContact O-CA 3.41Å; D513-P521 HydrophobicContact CB-CB 3.78Å; D513-P521 HydrophobicContact CB-CG 4.41Å |
| 514 | D | 96.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.3 | -176.8 | 59.5 | 22 | 0 | 0 | 0 | 114.8 | G504 I505 Y512 Y516 L519 | G504-D514 WeakPolarHBondContact CA-OD1 3.38Å; I505-D514 PolarHBondContact N-OD1 3.44Å; I505-D514 PolarHBondContact N-OD2 3.44Å; I505-D514 PolarHBondContact O-N 2.99Å; I505-D514 VanDerWaalsContact O-N 3.09Å; Y512-D514 HydrophobicContact CE1-CB 4.26Å; Y512-D514 WeakPolarHBondContact OH-CB 3.32Å; Y512-D514 PolarHBondContact OH-OD2 3.02Å; D514-Y516 PolarHBondContact O-N 3.45Å; D514-L519 HydrophobicContact CB-CD2 4.05Å |
| 515 | H | 94.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.4 | 167.7 | -59.1 | 96.5 | 0 | 0 | 0 | 112.5 | D513 D535 | D513-H515 PolarHBondContact O-N 2.86Å; D513-H515 WeakPolarHBondContact OD1-CB 3.32Å; D513-H515 IonicContact OD1-CE1 3.58Å; D513-H515 IonicContact OD1-CG 2.81Å; D513-H515 PolarHBondContact OD1-N 2.9Å; D513-H515 IonicContact OD1-ND1 2.68Å; D513-H515 PolarHBondContact OD1-ND1 3.49Å; H515-D535 IonicContact CE1-OD2 3.15Å; H515-D535 PolarHBondContact CE1-OD2 3.28Å; H515-D535 VanDerWaalsContact CE1-OD2 3.25Å; H515-D535 IonicContact NE2-OD2 3.29Å; H515-D535 PolarHBondContact NE2-OD2 3.48Å; H515-D535 VanDerWaalsContact NE2-OD2 3.09Å |
| 516 | Y | 94.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 53 Ų | 53 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -116.2 | 143.2 | -178.2 | -59.8 | -78.2 | 0 | 0 | 0 | 112 | D513 D514 D518 L519 K520 V522 | D513-Y516 HydrophobicContact CB-CD2 4.14Å; D513-Y516 PolarHBondContact O-N 3.17Å; D513-Y516 WeakPolarHBondContact OD2-CE2 3.18Å; D514-Y516 PolarHBondContact O-N 3.45Å; Y516-D518 VanDerWaalsContact C-N 3.26Å; Y516-D518 PolarHBondContact O-N 3.15Å; Y516-L519 WeakPolarHBondContact O-CA 3.33Å; Y516-L519 PolarHBondContact O-N 3.43Å; Y516-K520 VanDerWaalsContact CD2-O 3.3Å; Y516-K520 WeakPolarHBondContact CD2-O 3.39Å; Y516-V522 HydrophobicContact CD1-CG1 4.24Å; Y516-V522 HydrophobicContact CD2-CG1 4.5Å; Y516-V522 HydrophobicContact CE1-CG1 3.67Å; Y516-V522 HydrophobicContact CE2-CG1 3.97Å; Y516-V522 HydrophobicContact CE2-CG2 4.05Å; Y516-V522 WeakPolarHBondContact OH-CG2 3.09Å |
| 517 | P | 93.8 | Very high | 94.2 | Very high | 134 Ų | 134 | 60.9 Ų | 60.9 | 87% | 0.87 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.3 | -176.5 | -26.4 | 34.7 | 0 | 0 | 0 | 115.5 | L519 | P517-L519 VanDerWaalsContact C-N 3.28Š|
| 518 | D | 94.7 | Very high | 93.5 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.2 | 178.2 | 72.2 | -19.5 | 0 | 0 | 0 | 113.3 | Y516 K520 | Y516-D518 VanDerWaalsContact C-N 3.26Å; Y516-D518 PolarHBondContact O-N 3.15Å; D518-K520 PolarHBondContact O-N 3.18Å; D518-K520 PolarHBondContact OD1-N 3.02Å |
| 519 | L | 95.2 | Very high | 93.1 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 60.4 | 24.1 | -179.1 | -53 | 175.9 | 0 | 0 | 0 | 113.8 | Y512 D513 D514 Y516 P517 | Y512-L519 WeakPolarHBondContact CA-O 3.39Å; Y512-L519 HydrophobicContact CD2-CB 4.22Å; Y512-L519 HydrophobicContact CE2-CB 4.15Å; Y512-L519 HydrophobicContact CE2-CD1 4.27Å; Y512-L519 HydrophobicContact CE2-CD2 4.35Å; Y512-L519 HydrophobicContact CE2-CG 4.5Å; D513-L519 PolarHBondContact N-O 3.2Å; D513-L519 CarbonylContact O-C 3.46Å; D513-L519 VanDerWaalsContact O-C 3.25Å; D513-L519 VanDerWaalsContact O-CA 3.23Å; D513-L519 WeakPolarHBondContact O-CA 3.41Å; D514-L519 HydrophobicContact CB-CD2 4.05Å; Y516-L519 WeakPolarHBondContact O-CA 3.33Å; Y516-L519 PolarHBondContact O-N 3.43Å; P517-L519 VanDerWaalsContact C-N 3.28Å |
| 520 | K | 96.1 | Very high | 93.1 | Very high | 127 Ų | 127 | 68.8 Ų | 68.8 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | trans | -114.1 | 139.3 | -179.2 | -68 | 178.3 | -174.2 | 168.5 | 0 | 111.7 | Y516 D518 | Y516-K520 VanDerWaalsContact CD2-O 3.3Å; Y516-K520 WeakPolarHBondContact CD2-O 3.39Å; D518-K520 PolarHBondContact O-N 3.18Å; D518-K520 PolarHBondContact OD1-N 3.02Å | ||
| 521 | P | 94.5 | Very high | 93.1 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -71.1 | 143.7 | 174.9 | 28 | -33.1 | 0 | 0 | 0 | 111 | L508 G511 D513 V525 | L508-P521 HydrophobicContact CD2-CB 3.37Å; L508-P521 HydrophobicContact CD2-CG 3.7Å; G511-P521 VanDerWaalsContact C-CD 3.43Å; G511-P521 VanDerWaalsContact O-CD 3.3Å; G511-P521 WeakPolarHBondContact O-CD 3.5Å; D513-P521 HydrophobicContact CB-CB 3.78Å; D513-P521 HydrophobicContact CB-CG 4.41Å; P521-V525 HydrophobicContact CG-CG2 3.45Å; P521-V525 VanDerWaalsContact CG-CG2 3.45Å | ||
| 522 | V | 93.1 | Very high | 93.2 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -73.8 | -19.8 | 163.8 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | Y516 | Y516-V522 HydrophobicContact CD1-CG1 4.24Å; Y516-V522 HydrophobicContact CD2-CG1 4.5Å; Y516-V522 HydrophobicContact CE1-CG1 3.67Å; Y516-V522 HydrophobicContact CE2-CG1 3.97Å; Y516-V522 HydrophobicContact CE2-CG2 4.05Å; Y516-V522 WeakPolarHBondContact OH-CG2 3.09Å |
| 523 | L | 93.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -79.9 | 150.1 | 177.5 | -65.5 | 176.1 | 0 | 0 | 0 | 111.3 | T362 E381 L508 V525 | T362-L523 HydrophobicContact CG2-CD1 3.36Å; E381-L523 VanDerWaalsContact O-CD2 3.32Å; E381-L523 WeakPolarHBondContact O-CD2 3.23Å; L508-L523 HydrophobicContact CD1-CB 3.97Å; L508-L523 HydrophobicContact CD1-CD1 3.84Å; L508-L523 HydrophobicContact CD2-CB 3.99Å; L523-V525 PolarHBondContact O-N 3.35Å |
| 524 | P | 90.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 139.4 | 174.8 | -22.4 | 31.3 | 0 | 0 | 0 | 112.7 | L383 W388 | L383-P524 HydrophobicContact CD1-CB 3.86Å; L383-P524 HydrophobicContact CD1-CG 4.09Å; W388-P524 HydrophobicContact CE3-CG 4.11Å; W388-P524 HydrophobicContact CH2-CB 3.99Å; W388-P524 HydrophobicContact CH2-CG 3.79Å; W388-P524 HydrophobicContact CZ2-CG 4.44Å; W388-P524 HydrophobicContact CZ3-CB 4.3Å; W388-P524 HydrophobicContact CZ3-CG 3.6Å |
| 525 | V | 91.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 138.8 | -179.8 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | L508 P521 L523 | L508-V525 WeakPolarHBondContact O-CA 3.35Å; L508-V525 VanDerWaalsContact O-CG1 3.29Å; L508-V525 WeakPolarHBondContact O-CG1 3.23Å; P521-V525 HydrophobicContact CG-CG2 3.45Å; P521-V525 VanDerWaalsContact CG-CG2 3.45Å; L523-V525 PolarHBondContact O-N 3.35Å |
| 526 | S | 88.2 | Confident | 93.6 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | trans | -139.4 | 110.4 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L508 S528 S529 | L508-S526 PolarHBondContact O-N 3.19Å; S526-S528 PolarHBondContact O-N 2.94Å; S526-S528 PolarHBondContact OG-OG 3.48Å; S526-S528 VanDerWaalsContact OG-OG 3.09Å; S526-S529 WeakPolarHBondContact CB-OG 3.36Å; S526-S529 PolarHBondContact O-N 2.87Å; S526-S529 VanDerWaalsContact O-O 3.06Å; S526-S529 PolarHBondContact O-OG 3.5Å; S526-S529 PolarHBondContact OG-OG 3.28Å; S526-S529 VanDerWaalsContact OG-OG 3.11Å | ||
| 527 | K | 87.1 | Confident | 93.6 | Very high | 184 Ų | 184 | 58.6 Ų | 58.6 | 80% | 0.8 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23 | 178.7 | -65.5 | -175.4 | 179.4 | -178.7 | 0 | 113.5 | ||
| 528 | S | 84 | Confident | 93.7 | Very high | 114 Ų | 114 | 54 Ų | 54 | 80% | 0.797 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.8 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | S526 | S526-S528 PolarHBondContact O-N 2.94Å; S526-S528 PolarHBondContact OG-OG 3.48Å; S526-S528 VanDerWaalsContact OG-OG 3.09Å |
| 529 | S | 87.8 | Confident | 93.8 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -119.3 | 133.1 | -179.6 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | T509 S526 | T509-S529 WeakPolarHBondContact CB-O 2.97Å; T509-S529 WeakPolarHBondContact CG2-O 3.39Å; T509-S529 PolarHBondContact OG1-O 3.26Å; S526-S529 WeakPolarHBondContact CB-OG 3.36Å; S526-S529 PolarHBondContact O-N 2.87Å; S526-S529 VanDerWaalsContact O-O 3.06Å; S526-S529 PolarHBondContact O-OG 3.5Å; S526-S529 PolarHBondContact OG-OG 3.28Å; S526-S529 VanDerWaalsContact OG-OG 3.11Å |
| 530 | Q | 94.2 | Very high | 93.9 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | trans | -84 | 121.4 | 175.5 | -56.3 | -63 | -27.8 | 0 | 0 | 109.9 | F478 R482 T509 R545 T546 | F478-Q530 HydrophobicContact CB-CG 4.36Å; F478-Q530 HydrophobicContact CD1-CB 3.95Å; F478-Q530 HydrophobicContact CD2-CB 3.43Å; F478-Q530 VanDerWaalsContact CD2-CB 3.43Å; F478-Q530 HydrophobicContact CD2-CG 3.55Å; F478-Q530 HydrophobicContact CE1-CB 3.86Å; F478-Q530 HydrophobicContact CE2-CB 3.33Å; F478-Q530 HydrophobicContact CE2-CG 3.93Å; F478-Q530 HydrophobicContact CG-CB 3.76Å; F478-Q530 HydrophobicContact CG-CG 3.92Å; F478-Q530 HydrophobicContact CZ-CB 3.57Å; R482-Q530 VanDerWaalsContact CZ-OE1 3.29Å; T509-Q530 VanDerWaalsContact OG1-CA 3.24Å; T509-Q530 WeakPolarHBondContact OG1-CA 3.4Å; Q530-R545 WeakPolarHBondContact O-CA 3.31Å; Q530-T546 HydrophobicContact CB-CG2 3.94Å; Q530-T546 HydrophobicContact CG-CG2 4.15Å; Q530-T546 PolarHBondContact N-OG1 2.95Å; Q530-T546 PolarHBondContact O-N 3.14Å | ||
| 531 | L | 95.7 | Very high | 94 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 113.9 | 175.2 | -168.3 | 161.4 | 0 | 0 | 0 | 110.6 | L383 L508 T509 T543 L544 R545 | L383-L531 HydrophobicContact CD2-CD1 4.2Å; L508-L531 HydrophobicContact CB-CB 4.42Å; L508-L531 HydrophobicContact CB-CD2 4.26Å; L508-L531 HydrophobicContact CD1-CD1 4.31Å; L508-L531 HydrophobicContact CD1-CD2 3.82Å; L508-L531 HydrophobicContact CG-CD2 3.99Å; L508-L531 PolarHBondContact N-O 3.45Å; T509-L531 PolarHBondContact OG1-N 3.42Å; L531-T543 HydrophobicContact CD2-CG2 4.16Å; L531-T543 HydrophobicContact CG-CG2 4.31Å; L531-L544 VanDerWaalsContact CA-O 3.31Å; L531-L544 WeakPolarHBondContact CA-O 3.27Å; L531-R545 HydrophobicContact CB-CB 4.45Å; L531-R545 HydrophobicContact CG-CB 4.25Å |
| 532 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.9 | 175.4 | -50.1 | -179 | 0 | 0 | 0 | 109.1 | F478 I481 R482 Y493 I505 R506 D507 F534 T543 L544 | F478-I532 HydrophobicContact CD1-CD1 3.61Å; F478-I532 HydrophobicContact CD1-CG1 3.91Å; F478-I532 HydrophobicContact CE1-CD1 4.11Å; F478-I532 HydrophobicContact CE1-CG1 3.97Å; I481-I532 HydrophobicContact CG2-CD1 4.01Å; R482-I532 HydrophobicContact CG-CD1 4.39Å; Y493-I532 HydrophobicContact CE1-CD1 4.21Å; I505-I532 HydrophobicContact CG2-CG2 4.38Å; R506-I532 CarbonylContact O-C 3.25Å; R506-I532 WeakPolarHBondContact O-CA 3.5Å; D507-I532 HydrophobicContact CB-CG1 4.25Å; D507-I532 HydrophobicContact CB-CG2 4.46Å; D507-I532 WeakPolarHBondContact OD2-CD1 3.34Å; I532-F534 HydrophobicContact CB-CE2 4.13Å; I532-F534 HydrophobicContact CB-CZ 4.43Å; I532-F534 HydrophobicContact CG2-CD2 4.15Å; I532-F534 HydrophobicContact CG2-CE1 4.1Å; I532-F534 HydrophobicContact CG2-CE2 3.5Å; I532-F534 HydrophobicContact CG2-CZ 3.47Å; I532-F534 VanDerWaalsContact CG2-CZ 3.47Å; I532-T543 CarbonylContact O-C 3.46Å; I532-T543 WeakPolarHBondContact O-CA 3.31Å; I532-L544 PolarHBondContact N-O 3.21Å; I532-L544 PolarHBondContact O-N 3.31Å |
| 533 | T | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.7 | 170 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | I505 R506 T541 L542 T543 | I505-T533 WeakPolarHBondContact CA-O 3.31Å; R506-T533 PolarHBondContact N-O 3.15Å; R506-T533 PolarHBondContact NH2-OG1 3.44Å; R506-T533 PolarHBondContact O-N 3.16Å; T533-T541 HydrophobicContact CG2-CG2 3.54Å; T533-L542 CarbonylContact C-O 3.54Å; T533-L542 VanDerWaalsContact CA-O 3.28Å; T533-L542 WeakPolarHBondContact CA-O 3.27Å; T533-T543 WeakPolarHBondContact CG2-OG1 3.41Å; T533-T543 PolarHBondContact OG1-OG1 2.87Å |
| 534 | F | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.9 | 172.3 | -60.7 | -84.2 | 0 | 0 | 0 | 109.5 | I481 P494 I502 G504 I505 I532 F536 T541 L542 L544 F587 | I481-F534 HydrophobicContact CG2-CE2 4.31Å; I481-F534 HydrophobicContact CG2-CZ 3.6Å; P494-F534 HydrophobicContact CG-CE1 3.78Å; P494-F534 HydrophobicContact CG-CZ 4.14Å; I502-F534 HydrophobicContact CD1-CD1 3.92Å; I502-F534 HydrophobicContact CD1-CE1 4.4Å; I502-F534 HydrophobicContact CG2-CD1 4.11Å; G504-F534 WeakPolarHBondContact O-CA 3.34Å; I505-F534 HydrophobicContact CG1-CD1 3.81Å; I505-F534 HydrophobicContact CG1-CE1 4.04Å; I505-F534 HydrophobicContact CG2-CE1 4.41Å; I532-F534 HydrophobicContact CB-CE2 4.13Å; I532-F534 HydrophobicContact CB-CZ 4.43Å; I532-F534 HydrophobicContact CG2-CD2 4.15Å; I532-F534 HydrophobicContact CG2-CE1 4.1Å; I532-F534 HydrophobicContact CG2-CE2 3.5Å; I532-F534 HydrophobicContact CG2-CZ 3.47Å; I532-F534 VanDerWaalsContact CG2-CZ 3.47Å; F534-F536 HydrophobicContact CB-CD2 4.48Å; F534-F536 HydrophobicContact CB-CE2 3.73Å; F534-F536 HydrophobicContact CB-CZ 4.09Å; F534-T541 CarbonylContact O-C 3.37Å; F534-T541 WeakPolarHBondContact O-CA 3.35Å; F534-L542 HydrophobicContact CB-CB 4.47Å; F534-L542 HydrophobicContact CD2-CD2 4.33Å; F534-L542 PolarHBondContact N-O 3.41Å; F534-L542 PolarHBondContact O-N 2.84Å; F534-L544 HydrophobicContact CE2-CD1 4.38Å; F534-F587 HydrophobicContact CD2-CE2 4.13Å; F534-F587 HydrophobicContact CE2-CD2 4.37Å; F534-F587 AromaticContact CE2-CE2 3.85Å; F534-F587 HydrophobicContact CE2-CE2 3.85Å; F534-F587 HydrophobicContact CZ-CE2 4.17Å |
| 535 | D | 98 | Very high | 94.8 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.4 | 168.8 | -68.7 | -68.1 | 0 | 0 | 0 | 109.6 | I502 T503 G504 H515 V540 T541 | I502-D535 CarbonylContact C-O 3.6Å; I502-D535 WeakPolarHBondContact CA-O 3.44Å; T503-D535 PolarHBondContact N-O 3.48Å; T503-D535 PolarHBondContact OG1-O 3.34Å; G504-D535 PolarHBondContact N-O 2.94Å; G504-D535 PolarHBondContact O-N 3.45Å; H515-D535 IonicContact CE1-OD2 3.15Å; H515-D535 PolarHBondContact CE1-OD2 3.28Å; H515-D535 VanDerWaalsContact CE1-OD2 3.25Å; H515-D535 IonicContact NE2-OD2 3.29Å; H515-D535 PolarHBondContact NE2-OD2 3.48Å; H515-D535 VanDerWaalsContact NE2-OD2 3.09Å; D535-V540 WeakPolarHBondContact CA-O 3.44Å; D535-T541 WeakPolarHBondContact OD1-CB 3.37Å; D535-T541 WeakPolarHBondContact OD1-CG2 3.44Å; D535-T541 PolarHBondContact OD1-OG1 2.67Å |
| 536 | F | 98.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.3 | -175.9 | -64.2 | -96.9 | 0 | 0 | 0 | 111.7 | L497 F500 Q501 I502 F534 N538 G539 V540 L542 L579 | L497-F536 HydrophobicContact CB-CE1 3.86Å; L497-F536 HydrophobicContact CB-CZ 4.3Å; L497-F536 HydrophobicContact CD2-CE1 4.44Å; L497-F536 HydrophobicContact CD2-CZ 4.15Å; F500-F536 HydrophobicContact CB-CD1 3.66Å; F500-F536 HydrophobicContact CB-CE1 4.05Å; Q501-F536 CarbonylContact O-C 3.57Å; Q501-F536 VanDerWaalsContact O-CA 3.22Å; Q501-F536 WeakPolarHBondContact O-CA 3.48Å; I502-F536 HydrophobicContact CD1-CE1 4.1Å; I502-F536 HydrophobicContact CD1-CZ 4.37Å; I502-F536 HydrophobicContact CG1-CD1 3.78Å; I502-F536 HydrophobicContact CG1-CE1 3.37Å; I502-F536 HydrophobicContact CG1-CZ 3.9Å; F534-F536 HydrophobicContact CB-CD2 4.48Å; F534-F536 HydrophobicContact CB-CE2 3.73Å; F534-F536 HydrophobicContact CB-CZ 4.09Å; F536-N538 VanDerWaalsContact CB-OD1 3.26Å; F536-N538 WeakPolarHBondContact CB-OD1 3.09Å; F536-N538 PolarHBondContact O-N 3.37Å; F536-N538 VanDerWaalsContact O-N 3.1Å; F536-G539 PolarHBondContact O-N 3.26Å; F536-V540 HydrophobicContact CB-CB 4.09Å; F536-V540 HydrophobicContact CD2-CB 3.95Å; F536-V540 HydrophobicContact CD2-CG1 3.97Å; F536-V540 WeakPolarHBondContact CD2-O 3.35Å; F536-V540 HydrophobicContact CE2-CG1 4.44Å; F536-V540 HydrophobicContact CG-CB 4.3Å; F536-V540 PolarHBondContact N-O 3.49Å; F536-L542 HydrophobicContact CE2-CB 3.78Å; F536-L542 HydrophobicContact CE2-CD2 4.25Å; F536-L542 HydrophobicContact CZ-CD2 4.29Å; F536-L579 HydrophobicContact CD1-CD1 3.91Å; F536-L579 HydrophobicContact CD2-CD1 3.94Å; F536-L579 HydrophobicContact CE1-CD1 3.97Å; F536-L579 HydrophobicContact CE2-CD1 4.01Å; F536-L579 HydrophobicContact CE2-CD2 4.25Å; F536-L579 HydrophobicContact CG-CD1 3.89Å; F536-L579 HydrophobicContact CZ-CD1 4.02Å; F536-L579 HydrophobicContact CZ-CD2 4.28Å; F536-L579 HydrophobicContact CZ-CG 4.45Å |
| 537 | S | 96.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 31 Ų | 31 | 57% | 0.566 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.1 | -177.2 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | Q501 G539 | Q501-S537 PolarHBondContact O-N 3.12Å; S537-G539 VanDerWaalsContact C-N 3.28Å |
| 538 | N | 95 | Very high | 93.6 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.9 | 176.1 | 69.7 | -25.5 | 0 | 0 | 0 | 113.3 | F500 F536 V540 E575 | F500-N538 WeakPolarHBondContact CD1-ND2 3.32Å; F500-N538 WeakPolarHBondContact CE1-ND2 3.27Å; F536-N538 VanDerWaalsContact CB-OD1 3.26Å; F536-N538 WeakPolarHBondContact CB-OD1 3.09Å; F536-N538 PolarHBondContact O-N 3.37Å; F536-N538 VanDerWaalsContact O-N 3.1Å; N538-V540 WeakPolarHBondContact OD1-CG2 3.21Å; N538-V540 PolarHBondContact OD1-N 3.35Å; N538-E575 PolarHBondContact ND2-OE1 3.46Å |
| 539 | G | 95.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 88.2 | 8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F536 S537 R560 | F536-G539 PolarHBondContact O-N 3.26Å; S537-G539 VanDerWaalsContact C-N 3.28Å; G539-R560 PolarHBondContact O-N 3.1Å; G539-R560 VanDerWaalsContact O-N 3.12Å |
| 540 | V | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | D535 F536 N538 E558 L559 L576 L579 | D535-V540 WeakPolarHBondContact CA-O 3.44Å; F536-V540 HydrophobicContact CB-CB 4.09Å; F536-V540 HydrophobicContact CD2-CB 3.95Å; F536-V540 HydrophobicContact CD2-CG1 3.97Å; F536-V540 WeakPolarHBondContact CD2-O 3.35Å; F536-V540 HydrophobicContact CE2-CG1 4.44Å; F536-V540 HydrophobicContact CG-CB 4.3Å; F536-V540 PolarHBondContact N-O 3.49Å; N538-V540 WeakPolarHBondContact OD1-CG2 3.21Å; N538-V540 PolarHBondContact OD1-N 3.35Å; V540-E558 CarbonylContact C-O 3.56Å; V540-E558 WeakPolarHBondContact CA-O 3.44Å; V540-L559 HydrophobicContact CG2-CB 3.76Å; V540-L559 HydrophobicContact CG2-CD1 3.78Å; V540-L559 HydrophobicContact CG2-CG 3.64Å; V540-L576 HydrophobicContact CG1-CD1 3.88Å; V540-L576 HydrophobicContact CG2-CD1 4.05Å; V540-L579 HydrophobicContact CB-CD1 3.9Å; V540-L579 HydrophobicContact CG1-CD1 3.8Å; V540-L579 HydrophobicContact CG1-CD2 4.1Å; V540-L579 HydrophobicContact CG2-CD1 4.04Å |
| 541 | T | 98.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.6 | 162.3 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | T533 F534 D535 S557 E558 R560 | T533-T541 HydrophobicContact CG2-CG2 3.54Å; F534-T541 CarbonylContact O-C 3.37Å; F534-T541 WeakPolarHBondContact O-CA 3.35Å; D535-T541 WeakPolarHBondContact OD1-CB 3.37Å; D535-T541 WeakPolarHBondContact OD1-CG2 3.44Å; D535-T541 PolarHBondContact OD1-OG1 2.67Å; T541-S557 VanDerWaalsContact O-CA 3.31Å; T541-S557 WeakPolarHBondContact O-CA 3.43Å; T541-E558 PolarHBondContact N-O 3.45Å; T541-E558 PolarHBondContact O-N 3.33Å; T541-R560 PolarHBondContact OG1-NH1 3.23Å; T541-R560 PolarHBondContact OG1-NH2 3.46Å |
| 542 | L | 98.5 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.3 | 179.3 | 172.2 | 68.8 | 0 | 0 | 0 | 109.5 | T533 F534 F536 L544 Y556 L579 M583 F587 | T533-L542 CarbonylContact C-O 3.54Å; T533-L542 VanDerWaalsContact CA-O 3.28Å; T533-L542 WeakPolarHBondContact CA-O 3.27Å; F534-L542 HydrophobicContact CB-CB 4.47Å; F534-L542 HydrophobicContact CD2-CD2 4.33Å; F534-L542 PolarHBondContact N-O 3.41Å; F534-L542 PolarHBondContact O-N 2.84Å; F536-L542 HydrophobicContact CE2-CB 3.78Å; F536-L542 HydrophobicContact CE2-CD2 4.25Å; F536-L542 HydrophobicContact CZ-CD2 4.29Å; L542-L544 HydrophobicContact CD1-CD2 3.97Å; L542-L544 HydrophobicContact CD2-CD2 4.38Å; L542-L544 HydrophobicContact CG-CD2 4.11Å; L542-Y556 CarbonylContact C-O 3.56Å; L542-Y556 WeakPolarHBondContact CA-O 3.35Å; L542-L579 HydrophobicContact CD2-CD2 4.3Å; L542-M583 HydrophobicContact CD1-CE 4.45Å; L542-M583 HydrophobicContact CD1-CG 4.18Å; L542-M583 HydrophobicContact CD2-CB 4.1Å; L542-M583 HydrophobicContact CD2-CG 3.55Å; L542-M583 HydrophobicContact CG-CG 4.44Å; L542-F587 HydrophobicContact CD2-CD2 4.4Å; L542-F587 HydrophobicContact CD2-CE2 4.27Å |
| 543 | T | 97.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124 | 174.3 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | V363 L531 I532 T533 Y555 Y556 | V363-T543 HydrophobicContact CG1-CG2 4.25Å; L531-T543 HydrophobicContact CD2-CG2 4.16Å; L531-T543 HydrophobicContact CG-CG2 4.31Å; I532-T543 CarbonylContact O-C 3.46Å; I532-T543 WeakPolarHBondContact O-CA 3.31Å; T533-T543 WeakPolarHBondContact CG2-OG1 3.41Å; T533-T543 PolarHBondContact OG1-OG1 2.87Å; T543-Y555 CarbonylContact O-C 3.51Å; T543-Y555 VanDerWaalsContact O-CA 3.27Å; T543-Y555 WeakPolarHBondContact O-CA 3.42Å; T543-Y556 PolarHBondContact N-O 2.86Å; T543-Y556 PolarHBondContact O-N 2.88Å |
| 544 | L | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.2 | 172.6 | -52.9 | -174.4 | 0 | 0 | 0 | 109.6 | F478 I481 L531 I532 F534 L542 M583 F587 Y588 | F478-L544 HydrophobicContact CE1-CB 4.01Å; F478-L544 HydrophobicContact CZ-CB 4.05Å; I481-L544 HydrophobicContact CD1-CD1 3.9Å; L531-L544 VanDerWaalsContact CA-O 3.31Å; L531-L544 WeakPolarHBondContact CA-O 3.27Å; I532-L544 PolarHBondContact N-O 3.21Å; I532-L544 PolarHBondContact O-N 3.31Å; F534-L544 HydrophobicContact CE2-CD1 4.38Å; L542-L544 HydrophobicContact CD1-CD2 3.97Å; L542-L544 HydrophobicContact CD2-CD2 4.38Å; L542-L544 HydrophobicContact CG-CD2 4.11Å; L544-M583 HydrophobicContact CD2-CE 4.25Å; L544-M583 HydrophobicContact CD2-CG 4.08Å; L544-M583 HydrophobicContact CD2-SD 3.75Å; L544-F587 HydrophobicContact CD1-CB 4.35Å; L544-F587 HydrophobicContact CD1-CD2 3.93Å; L544-Y588 HydrophobicContact CD1-CE1 4.04Å; L544-Y588 HydrophobicContact CD2-CE1 3.86Å; L544-Y588 HydrophobicContact CG-CE1 4.39Å |
| 545 | R | 94.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 32 Ų | 32 | 18% | 0.177 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.8 | 179 | 64.3 | 173.8 | -72.6 | -175.5 | 3.6 | 114.7 | T384 Q530 L531 K554 Y556 | T384-R545 PolarHBondContact OG1-NH1 3.43Å; Q530-R545 WeakPolarHBondContact O-CA 3.31Å; L531-R545 HydrophobicContact CB-CB 4.45Å; L531-R545 HydrophobicContact CG-CB 4.25Å; R545-K554 HydrophobicContact CG-CB 4.12Å; R545-K554 PolarHBondContact N-O 3.34Å; R545-K554 PolarHBondContact O-N 2.89Å; R545-Y556 HydrophobicContact CG-CD2 4.42Å; R545-Y556 HydrophobicContact CG-CE2 3.99Å |
| 546 | T | 91.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 147 | 162.8 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | I474 F478 Q530 | I474-T546 HydrophobicContact CD1-CG2 4.37Å; I474-T546 HydrophobicContact CG2-CG2 3.54Å; F478-T546 HydrophobicContact CE2-CG2 4.36Å; Q530-T546 HydrophobicContact CB-CG2 3.94Å; Q530-T546 HydrophobicContact CG-CG2 4.15Å; Q530-T546 PolarHBondContact N-OG1 2.95Å; Q530-T546 PolarHBondContact O-N 3.14Å |
| 547 | S | 80.8 | Confident | 90.5 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | trans | -76.1 | 138.4 | 163.4 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | T549 E550 K552 | S547-T549 VanDerWaalsContact C-N 3.34Å; S547-E550 WeakPolarHBondContact CB-O 3.22Å; S547-E550 PolarHBondContact OG-N 2.63Å; S547-E550 PolarHBondContact OG-OE2 2.86Å; S547-K552 PolarHBondContact N-O 2.91Å | ||
| 548 | G | 70.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 28.5 Ų | 28.5 | 80% | 0.804 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -81.3 | -14.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 549 | T | 64.3 | Low | 90.7 | Very high | 102 Ų | 102 | 26.8 Ų | 26.8 | 63% | 0.626 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -124.8 | -3.3 | -173.3 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | S547 | S547-T549 VanDerWaalsContact C-N 3.34Š|
| 550 | E | 71 | Confident | 90.7 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 32% | 0.318 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -139.8 | 149.9 | -173.6 | -56.3 | 170.7 | 92.5 | 0 | 0 | 109.6 | S547 K552 K554 | S547-E550 WeakPolarHBondContact CB-O 3.22Å; S547-E550 PolarHBondContact OG-N 2.63Å; S547-E550 PolarHBondContact OG-OE2 2.86Å; E550-K552 HydrophobicContact CB-CB 4.28Å; E550-K552 HydrophobicContact CB-CD 3.99Å; E550-K552 HydrophobicContact CB-CG 3.97Å; E550-K552 PolarHBondContact O-N 2.8Å; E550-K552 WeakPolarHBondContact OE1-CD 3.45Å; E550-K552 WeakPolarHBondContact OE1-CE 3.5Å; E550-K552 IonicContact OE1-NZ 3.56Å; E550-K552 PolarHBondContact OE1-NZ 2.61Å; E550-K554 IonicContact OE2-NZ 3.19Å; E550-K554 PolarHBondContact OE2-NZ 3.05Å |
| 551 | P | 83.5 | Confident | 90.5 | Very high | 59 Ų | 59 | 29.3 Ų | 29.3 | 38% | 0.383 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -76 | 55.5 | 175.1 | 33.9 | -36.4 | 0 | 0 | 0 | 110.7 | F467 C468 | F467-P551 CarbonylContact C-O 3.55Å; F467-P551 WeakPolarHBondContact CA-O 3.33Å; C468-P551 PolarHBondContact N-O 3.36Å; C468-P551 WeakPolarHBondContact O-CB 3.39Å |
| 552 | K | 88.6 | Confident | 89.7 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.4 | -172.9 | -68 | 178.9 | 179.9 | 172.5 | 0 | 111.2 | Y465 Y466 F467 S547 E550 K554 | Y465-K552 HydrophobicContact CD2-CD 3.75Å; Y465-K552 HydrophobicContact CD2-CG 4.13Å; Y465-K552 HydrophobicContact CE2-CD 3.95Å; Y465-K552 HydrophobicContact CG-CD 4.28Å; Y466-K552 VanDerWaalsContact O-CA 3.29Å; Y466-K552 WeakPolarHBondContact O-CA 3.47Å; F467-K552 HydrophobicContact CD1-CG 3.91Å; F467-K552 HydrophobicContact CE1-CD 4.24Å; F467-K552 HydrophobicContact CE1-CG 4.04Å; S547-K552 PolarHBondContact N-O 2.91Å; E550-K552 HydrophobicContact CB-CB 4.28Å; E550-K552 HydrophobicContact CB-CD 3.99Å; E550-K552 HydrophobicContact CB-CG 3.97Å; E550-K552 PolarHBondContact O-N 2.8Å; E550-K552 WeakPolarHBondContact OE1-CD 3.45Å; E550-K552 WeakPolarHBondContact OE1-CE 3.5Å; E550-K552 IonicContact OE1-NZ 3.56Å; E550-K552 PolarHBondContact OE1-NZ 2.61Å; K552-K554 HydrophobicContact CB-CG 4.44Å |
| 553 | I | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.5 | 162.4 | -168.3 | 179.8 | 0 | 0 | 0 | 108.5 | Y465 Y466 I474 M477 F478 Y588 F595 | Y465-I553 CarbonylContact C-O 3.57Å; Y465-I553 WeakPolarHBondContact CA-O 3.37Å; Y465-I553 WeakPolarHBondContact CB-O 3.47Å; Y466-I553 PolarHBondContact N-O 2.86Å; Y466-I553 PolarHBondContact O-N 2.84Å; I474-I553 HydrophobicContact CG2-CD1 4.3Å; M477-I553 HydrophobicContact CE-CD1 3.42Å; M477-I553 VanDerWaalsContact CE-CD1 3.42Å; M477-I553 HydrophobicContact SD-CD1 3.59Å; M477-I553 VanDerWaalsContact SD-CD1 3.59Å; F478-I553 HydrophobicContact CE2-CD1 3.65Å; F478-I553 HydrophobicContact CE2-CG1 4.21Å; F478-I553 HydrophobicContact CZ-CD1 4.13Å; I553-Y588 HydrophobicContact CD1-CD1 4.18Å; I553-Y588 HydrophobicContact CD1-CE1 3.56Å; I553-Y588 HydrophobicContact CD1-CE2 4.43Å; I553-Y588 HydrophobicContact CG1-CE1 4.14Å; I553-Y588 HydrophobicContact CG1-CE2 4.46Å; I553-Y588 WeakPolarHBondContact CG1-OH 3.28Å; I553-Y588 HydrophobicContact CG2-CD2 4.44Å; I553-Y588 HydrophobicContact CG2-CE2 3.89Å; I553-F595 HydrophobicContact CD1-CE2 4.47Å; I553-F595 HydrophobicContact CG2-CD2 4.32Å; I553-F595 HydrophobicContact CG2-CE2 4.31Å |
| 554 | K | 94.2 | Very high | 87.6 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.5 | -172.4 | -53.4 | -171.5 | 174.7 | 176.9 | 0 | 109.8 | G464 R545 E550 K552 Y556 Y588 | G464-K554 CarbonylContact O-C 3.48Å; G464-K554 WeakPolarHBondContact O-CA 3.25Å; R545-K554 HydrophobicContact CG-CB 4.12Å; R545-K554 PolarHBondContact N-O 3.34Å; R545-K554 PolarHBondContact O-N 2.89Å; E550-K554 IonicContact OE2-NZ 3.19Å; E550-K554 PolarHBondContact OE2-NZ 3.05Å; K552-K554 HydrophobicContact CB-CG 4.44Å; K554-Y556 HydrophobicContact CB-CE2 3.76Å; K554-Y588 PolarHBondContact O-OH 2.85Å |
| 555 | Y | 96.4 | Very high | 86.9 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 9% | 0.09 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.2 | 167.8 | 64.1 | -91.5 | 0 | 0 | 0 | 110.1 | N463 G464 Y466 T543 V580 M583 I584 Y588 | N463-Y555 WeakPolarHBondContact CA-O 3.29Å; G464-Y555 VanDerWaalsContact C-CE1 3.41Å; G464-Y555 VanDerWaalsContact CA-CZ 3.41Å; G464-Y555 PolarHBondContact N-O 3.32Å; G464-Y555 WeakPolarHBondContact O-CD1 3.38Å; G464-Y555 PolarHBondContact O-N 3.44Å; Y466-Y555 HydrophobicContact CE2-CE1 4.4Å; T543-Y555 CarbonylContact O-C 3.51Å; T543-Y555 VanDerWaalsContact O-CA 3.27Å; T543-Y555 WeakPolarHBondContact O-CA 3.42Å; Y555-V580 HydrophobicContact CD2-CG1 4.4Å; Y555-V580 HydrophobicContact CE2-CG1 3.62Å; Y555-V580 HydrophobicContact CE2-CG2 4.46Å; Y555-M583 HydrophobicContact CD1-CE 3.5Å; Y555-M583 VanDerWaalsContact CD1-CE 3.5Å; Y555-M583 HydrophobicContact CD2-CE 3.7Å; Y555-M583 HydrophobicContact CE1-CE 4.03Å; Y555-M583 HydrophobicContact CE2-CE 4.23Å; Y555-M583 HydrophobicContact CG-CE 3.31Å; Y555-I584 HydrophobicContact CE1-CD1 4.37Å; Y555-Y588 AromaticContact CD1-CE2 3.86Å; Y555-Y588 HydrophobicContact CD1-CE2 3.86Å; Y555-Y588 PolarHBondContact N-OH 3.02Å |
| 556 | Y | 97 | Very high | 86.5 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 11% | 0.106 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.4 | 174.6 | -61.4 | -95.8 | 0 | 0 | 0 | 107.1 | V363 E409 N463 L542 T543 R545 K554 | V363-Y556 HydrophobicContact CB-CD1 3.78Å; V363-Y556 HydrophobicContact CB-CD2 3.91Å; V363-Y556 HydrophobicContact CB-CE1 3.98Å; V363-Y556 HydrophobicContact CB-CE2 4.13Å; V363-Y556 HydrophobicContact CB-CG 3.73Å; V363-Y556 HydrophobicContact CG1-CD1 4.48Å; V363-Y556 HydrophobicContact CG1-CD2 3.69Å; V363-Y556 HydrophobicContact CG1-CE2 3.89Å; V363-Y556 HydrophobicContact CG1-CG 4.02Å; V363-Y556 HydrophobicContact CG2-CD1 4.45Å; V363-Y556 HydrophobicContact CG2-CE1 4.21Å; E409-Y556 WeakPolarHBondContact OE1-CE1 3.49Å; N463-Y556 HydrophobicContact CB-CD1 4.17Å; N463-Y556 VanDerWaalsContact OD1-CA 3.26Å; N463-Y556 WeakPolarHBondContact OD1-CA 3.35Å; L542-Y556 CarbonylContact C-O 3.56Å; L542-Y556 WeakPolarHBondContact CA-O 3.35Å; T543-Y556 PolarHBondContact N-O 2.86Å; T543-Y556 PolarHBondContact O-N 2.88Å; R545-Y556 HydrophobicContact CG-CD2 4.42Å; R545-Y556 HydrophobicContact CG-CE2 3.99Å; K554-Y556 HydrophobicContact CB-CE2 3.76Å |
| 557 | S | 98 | Very high | 86.3 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.7 | 179.6 | 75 | 0 | 0 | 0 | 0 | 110.7 | S461 N462 N463 T541 V580 | S461-S557 CarbonylContact C-O 3.56Å; S461-S557 VanDerWaalsContact CA-O 3.24Å; S461-S557 WeakPolarHBondContact CA-O 3.48Å; N462-S557 PolarHBondContact N-O 3.35Å; N462-S557 PolarHBondContact O-N 3.11Å; N462-S557 PolarHBondContact O-OG 3.42Å; N463-S557 PolarHBondContact OD1-N 3.11Å; N463-S557 VanDerWaalsContact OD1-N 3.11Å; T541-S557 VanDerWaalsContact O-CA 3.31Å; T541-S557 WeakPolarHBondContact O-CA 3.43Å; S557-V580 WeakPolarHBondContact OG-CG2 3.23Å |
| 558 | E | 98.1 | Very high | 86.9 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.7 | 176.7 | -178.7 | -167.8 | -122 | 0 | 0 | 109.9 | S365 K366 H459 I460 V540 T541 R560 | S365-E558 WeakPolarHBondContact CA-OE1 3.42Å; S365-E558 WeakPolarHBondContact CB-OE1 3.21Å; S365-E558 PolarHBondContact OG-OE1 3.46Å; K366-E558 WeakPolarHBondContact CB-OE2 3.45Å; K366-E558 WeakPolarHBondContact CG-OE2 3.43Å; K366-E558 PolarHBondContact N-OE1 3.36Å; K366-E558 PolarHBondContact N-OE2 2.88Å; K366-E558 VanDerWaalsContact N-OE2 3.16Å; H459-E558 IonicContact CE1-OE1 3.86Å; H459-E558 IonicContact CG-OE1 3.42Å; H459-E558 VanDerWaalsContact ND1-CD 3.29Å; H459-E558 IonicContact ND1-OE1 2.66Å; H459-E558 PolarHBondContact ND1-OE1 2.97Å; H459-E558 IonicContact ND1-OE2 2.7Å; I460-E558 CarbonylContact O-C 3.51Å; I460-E558 WeakPolarHBondContact O-CA 3.29Å; V540-E558 CarbonylContact C-O 3.56Å; V540-E558 WeakPolarHBondContact CA-O 3.44Å; T541-E558 PolarHBondContact N-O 3.45Å; T541-E558 PolarHBondContact O-N 3.33Å; E558-R560 HydrophobicContact CG-CG 4.33Å; E558-R560 WeakPolarHBondContact OE2-CG 3.34Å; E558-R560 IonicContact OE2-NH1 3.25Å; E558-R560 PolarHBondContact OE2-NH1 3.03Å |
| 559 | L | 97.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.4 | 166.7 | -166.1 | 157.4 | 0 | 0 | 0 | 109.5 | I460 V540 L572 E575 L576 | I460-L559 PolarHBondContact N-O 3.11Å; I460-L559 PolarHBondContact O-N 2.91Å; V540-L559 HydrophobicContact CG2-CB 3.76Å; V540-L559 HydrophobicContact CG2-CD1 3.78Å; V540-L559 HydrophobicContact CG2-CG 3.64Å; L559-L572 HydrophobicContact CD2-CB 4.29Å; L559-L572 HydrophobicContact CD2-CD2 3.72Å; L559-L572 HydrophobicContact CD2-CG 4.44Å; L559-E575 HydrophobicContact CD1-CB 4.08Å; L559-E575 HydrophobicContact CD1-CG 3.82Å; L559-L576 HydrophobicContact CB-CB 4.15Å; L559-L576 HydrophobicContact CB-CD1 4.21Å; L559-L576 HydrophobicContact CB-CD2 4.29Å; L559-L576 HydrophobicContact CB-CG 4.45Å; L559-L576 HydrophobicContact CD1-CB 4.29Å |
| 560 | R | 96 | Very high | 89.4 | Confident | 56 Ų | 56 | 59 Ų | 59 | 21% | 0.211 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.6 | 171.9 | -61.5 | -174.2 | -71.7 | -71.9 | -2.5 | 111.3 | Q458 H459 G539 T541 E558 | Q458-R560 CarbonylContact O-C 3.54Å; Q458-R560 WeakPolarHBondContact O-CA 3.49Å; H459-R560 WeakPolarHBondContact CE1-CD 3.31Å; H459-R560 VanDerWaalsContact CE1-CG 3.45Å; H459-R560 WeakPolarHBondContact CE1-CG 3.37Å; G539-R560 PolarHBondContact O-N 3.1Å; G539-R560 VanDerWaalsContact O-N 3.12Å; T541-R560 PolarHBondContact OG1-NH1 3.23Å; T541-R560 PolarHBondContact OG1-NH2 3.46Å; E558-R560 HydrophobicContact CG-CG 4.33Å; E558-R560 WeakPolarHBondContact OE2-CG 3.34Å; E558-R560 IonicContact OE2-NH1 3.25Å; E558-R560 PolarHBondContact OE2-NH1 3.03Å |
| 561 | S | 93 | Very high | 90.7 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 154.1 | 169.1 | 80.4 | 0 | 0 | 0 | 0 | 110.6 | Q458 | Q458-S561 WeakPolarHBondContact CB-OG 3.49Å; Q458-S561 PolarHBondContact N-OG 2.91Å; Q458-S561 PolarHBondContact O-N 3.05Å |
| 562 | K | 81.9 | Confident | 91.3 | Very high | 181 Ų | 181 | 56.2 Ų | 56.2 | 79% | 0.787 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -68 | 143.9 | 168 | -64.5 | 179.3 | -179.9 | 177.8 | 0 | 109.1 | G564 S565 | K562-G564 PolarHBondContact O-N 3.36Å; K562-S565 WeakPolarHBondContact O-CB 3.48Å; K562-S565 PolarHBondContact O-N 3.11Å |
| 563 | S | 74.8 | Confident | 91.7 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 57% | 0.566 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 131.8 | 170.4 | -55 | 0 | 0 | 0 | 0 | 110.3 | S565 | S563-S565 VanDerWaalsContact C-N 3.33Š|
| 564 | G | 76.7 | Confident | 91.9 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 76% | 0.763 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 7.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K562 E566 | K562-G564 PolarHBondContact O-N 3.36Å; G564-E566 PolarHBondContact O-N 2.87Å |
| 565 | S | 82.7 | Confident | 92.1 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | trans | -59.1 | 130.1 | 173.3 | 169 | 0 | 0 | 0 | 0 | 112.1 | K562 S563 A567 | K562-S565 WeakPolarHBondContact O-CB 3.48Å; K562-S565 PolarHBondContact O-N 3.11Å; S563-S565 VanDerWaalsContact C-N 3.33Å; S565-A567 VanDerWaalsContact C-N 3.29Å; S565-A567 WeakPolarHBondContact OG-CB 3.31Å; S565-A567 PolarHBondContact OG-N 3.3Å | ||
| 566 | E | 85.8 | Confident | 92.2 | Very high | 197 Ų | 197 | 61.1 Ų | 61.1 | 92% | 0.921 | 35% | 0.349 | S | S | * | . | trans | -80.7 | -7.1 | 174 | -62.4 | -175.7 | 169.1 | 0 | 0 | 113.6 | G564 S568 | G564-E566 PolarHBondContact O-N 2.87Å; E566-S568 PolarHBondContact O-N 3.1Å | ||
| 567 | A | 88.3 | Confident | 92.2 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | trans | -59.8 | 130.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S565 L572 | S565-A567 VanDerWaalsContact C-N 3.29Å; S565-A567 WeakPolarHBondContact OG-CB 3.31Å; S565-A567 PolarHBondContact OG-N 3.3Å; A567-L572 HydrophobicContact CB-CD1 4.46Å; A567-L572 HydrophobicContact CB-CD2 3.77Å; A567-L572 HydrophobicContact CB-CG 4.02Å | ||
| 568 | S | 92.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 66.6 Ų | 66.6 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | trans | -67.5 | 150.7 | 176.8 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | E566 E570 S571 L572 | E566-S568 PolarHBondContact O-N 3.1Å; S568-E570 PolarHBondContact O-N 2.95Å; S568-S571 WeakPolarHBondContact O-CB 3.46Å; S568-S571 PolarHBondContact O-N 3.49Å; S568-S571 WeakPolarHBondContact OG-CB 3.37Å; S568-S571 PolarHBondContact OG-N 3.05Å; S568-S571 VanDerWaalsContact OG-N 3.09Å; S568-L572 WeakPolarHBondContact O-CG 3.49Å; S568-L572 PolarHBondContact O-N 3.44Å | ||
| 569 | V | 92.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.6 | -38.4 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I460 L572 T573 | I460-V569 HydrophobicContact CD1-CG1 3.91Å; V569-L572 PolarHBondContact O-N 2.66Å; V569-T573 WeakPolarHBondContact O-CB 2.94Å; V569-T573 PolarHBondContact O-N 2.91Å; V569-T573 PolarHBondContact O-OG1 3.22Å |
| 570 | E | 95.9 | Very high | 92.3 | Very high | 140 Ų | 140 | 66 Ų | 66 | 65% | 0.654 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 176.1 | -175.1 | -179.5 | -179.3 | 0 | 0 | 112 | S568 L572 T573 N574 | S568-E570 PolarHBondContact O-N 2.95Å; E570-L572 PolarHBondContact O-N 3.32Å; E570-T573 PolarHBondContact O-N 2.85Å; E570-N574 WeakPolarHBondContact O-CB 3.48Å; E570-N574 VanDerWaalsContact O-CG 3.31Å; E570-N574 PolarHBondContact O-N 3.04Å; E570-N574 PolarHBondContact O-ND2 3.01Å |
| 571 | S | 96.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | S568 T573 N574 E575 | S568-S571 WeakPolarHBondContact O-CB 3.46Å; S568-S571 PolarHBondContact O-N 3.49Å; S568-S571 WeakPolarHBondContact OG-CB 3.37Å; S568-S571 PolarHBondContact OG-N 3.05Å; S568-S571 VanDerWaalsContact OG-N 3.09Å; S571-T573 VanDerWaalsContact C-N 3.33Å; S571-N574 PolarHBondContact O-N 3.1Å; S571-E575 WeakPolarHBondContact O-CB 3.23Å; S571-E575 PolarHBondContact O-N 3.35Å |
| 572 | L | 96.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 178.2 | -61.9 | 173.9 | 0 | 0 | 0 | 111.7 | Q458 I460 L559 A567 S568 V569 E570 E575 L576 | Q458-L572 HydrophobicContact CB-CD1 3.75Å; Q458-L572 HydrophobicContact CG-CD1 3.98Å; I460-L572 HydrophobicContact CG1-CB 3.89Å; L559-L572 HydrophobicContact CD2-CB 4.29Å; L559-L572 HydrophobicContact CD2-CD2 3.72Å; L559-L572 HydrophobicContact CD2-CG 4.44Å; A567-L572 HydrophobicContact CB-CD1 4.46Å; A567-L572 HydrophobicContact CB-CD2 3.77Å; A567-L572 HydrophobicContact CB-CG 4.02Å; S568-L572 WeakPolarHBondContact O-CG 3.49Å; S568-L572 PolarHBondContact O-N 3.44Å; V569-L572 PolarHBondContact O-N 2.66Å; E570-L572 PolarHBondContact O-N 3.32Å; L572-E575 PolarHBondContact O-N 3.41Å; L572-L576 PolarHBondContact O-N 3.31Å |
| 573 | T | 97.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | V569 E570 S571 E575 L576 Q577 | V569-T573 WeakPolarHBondContact O-CB 2.94Å; V569-T573 PolarHBondContact O-N 2.91Å; V569-T573 PolarHBondContact O-OG1 3.22Å; E570-T573 PolarHBondContact O-N 2.85Å; S571-T573 VanDerWaalsContact C-N 3.33Å; T573-E575 VanDerWaalsContact C-N 3.35Å; T573-E575 PolarHBondContact O-N 3.2Å; T573-L576 PolarHBondContact O-N 3.42Å; T573-Q577 WeakPolarHBondContact O-CB 3.27Å; T573-Q577 PolarHBondContact O-N 3.45Å |
| 574 | N | 98 | Very high | 94.4 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.6 | -70.8 | -24.4 | 0 | 0 | 0 | 111.7 | E570 S571 Q577 E578 | E570-N574 WeakPolarHBondContact O-CB 3.48Å; E570-N574 VanDerWaalsContact O-CG 3.31Å; E570-N574 PolarHBondContact O-N 3.04Å; E570-N574 PolarHBondContact O-ND2 3.01Å; S571-N574 PolarHBondContact O-N 3.1Å; N574-Q577 PolarHBondContact O-N 3.3Å; N574-E578 PolarHBondContact O-N 2.69Å |
| 575 | E | 97.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.6 | 177.7 | 167 | -163.5 | 0 | 0 | 112.3 | R499 F500 N538 L559 S571 L572 T573 E578 L579 | R499-E575 IonicContact NH1-OE1 2.8Å; R499-E575 IonicContact NH2-OE1 3.63Å; F500-E575 HydrophobicContact CE1-CG 3.79Å; F500-E575 HydrophobicContact CZ-CG 4.18Å; N538-E575 PolarHBondContact ND2-OE1 3.46Å; L559-E575 HydrophobicContact CD1-CB 4.08Å; L559-E575 HydrophobicContact CD1-CG 3.82Å; S571-E575 WeakPolarHBondContact O-CB 3.23Å; S571-E575 PolarHBondContact O-N 3.35Å; L572-E575 PolarHBondContact O-N 3.41Å; T573-E575 VanDerWaalsContact C-N 3.35Å; T573-E575 PolarHBondContact O-N 3.2Å; E575-E578 WeakPolarHBondContact O-CB 3.3Å; E575-E578 PolarHBondContact O-N 2.94Å; E575-L579 PolarHBondContact O-N 2.6Å |
| 576 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.6 | -177.5 | 59.4 | 0 | 0 | 0 | 111.6 | I460 N462 V540 L559 L572 T573 E578 L579 V580 | I460-L576 HydrophobicContact CB-CD2 4.31Å; I460-L576 HydrophobicContact CG2-CD2 4.06Å; I460-L576 WeakPolarHBondContact O-CD2 3.37Å; N462-L576 HydrophobicContact CB-CD2 3.8Å; N462-L576 HydrophobicContact CB-CG 4.11Å; V540-L576 HydrophobicContact CG1-CD1 3.88Å; V540-L576 HydrophobicContact CG2-CD1 4.05Å; L559-L576 HydrophobicContact CB-CB 4.15Å; L559-L576 HydrophobicContact CB-CD1 4.21Å; L559-L576 HydrophobicContact CB-CD2 4.29Å; L559-L576 HydrophobicContact CB-CG 4.45Å; L559-L576 HydrophobicContact CD1-CB 4.29Å; L572-L576 PolarHBondContact O-N 3.31Å; T573-L576 PolarHBondContact O-N 3.42Å; L576-E578 VanDerWaalsContact C-N 3.31Å; L576-E578 PolarHBondContact O-N 2.91Å; L576-L579 PolarHBondContact O-N 2.87Å; L576-V580 HydrophobicContact CD1-CG2 4.43Å; L576-V580 HydrophobicContact CG-CG2 4.49Å; L576-V580 WeakPolarHBondContact O-CG2 3.34Å; L576-V580 PolarHBondContact O-N 3.47Å |
| 577 | Q | 98.2 | Very high | 96.6 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 177.3 | -173.8 | 63 | 60.9 | 0 | 0 | 111.9 | N462 T573 N574 V580 N581 | N462-Q577 PolarHBondContact ND2-OE1 2.96Å; T573-Q577 WeakPolarHBondContact O-CB 3.27Å; T573-Q577 PolarHBondContact O-N 3.45Å; N574-Q577 PolarHBondContact O-N 3.3Å; Q577-V580 PolarHBondContact O-N 3.43Å; Q577-N581 PolarHBondContact NE2-OD1 2.88Å; Q577-N581 WeakPolarHBondContact O-CB 3.42Å; Q577-N581 PolarHBondContact O-N 2.88Å; Q577-N581 PolarHBondContact O-ND2 3.34Å; Q577-N581 PolarHBondContact O-OD1 3.35Å |
| 578 | E | 98.4 | Very high | 97 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.9 | -173.3 | -166.9 | 162.2 | 0 | 0 | 111.4 | R499 F500 N574 E575 L576 N581 K582 | R499-E578 WeakPolarHBondContact CD-OE1 3.36Å; R499-E578 IonicContact CZ-OE1 3.77Å; R499-E578 IonicContact CZ-OE2 2.82Å; R499-E578 VanDerWaalsContact CZ-OE2 3.29Å; R499-E578 VanDerWaalsContact NE-CD 3.34Å; R499-E578 IonicContact NE-OE1 3.9Å; R499-E578 PolarHBondContact NE-OE1 3.25Å; R499-E578 IonicContact NE-OE2 2.73Å; R499-E578 PolarHBondContact NE-OE2 3.24Å; R499-E578 IonicContact NH2-OE2 3.79Å; R499-E578 PolarHBondContact NH2-OE2 3.03Å; F500-E578 HydrophobicContact CE2-CB 4.26Å; F500-E578 HydrophobicContact CE2-CG 3.97Å; F500-E578 HydrophobicContact CZ-CB 4.11Å; F500-E578 HydrophobicContact CZ-CG 4.1Å; N574-E578 PolarHBondContact O-N 2.69Å; E575-E578 WeakPolarHBondContact O-CB 3.3Å; E575-E578 PolarHBondContact O-N 2.94Å; L576-E578 VanDerWaalsContact C-N 3.31Å; L576-E578 PolarHBondContact O-N 2.91Å; E578-N581 PolarHBondContact O-N 3.28Å; E578-K582 WeakPolarHBondContact O-CG 3.33Å; E578-K582 PolarHBondContact O-N 3.4Å |
| 579 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.1 | -173.8 | 152.6 | 0 | 0 | 0 | 111.7 | L497 F500 F536 V540 L542 E575 L576 N581 K582 M583 | L497-L579 HydrophobicContact CD2-CD2 4.17Å; L497-L579 HydrophobicContact CD2-CG 4.21Å; F500-L579 HydrophobicContact CB-CD1 3.9Å; F500-L579 HydrophobicContact CD1-CD1 4.02Å; F500-L579 HydrophobicContact CD2-CB 3.83Å; F500-L579 HydrophobicContact CD2-CD1 3.96Å; F500-L579 HydrophobicContact CD2-CG 3.96Å; F500-L579 HydrophobicContact CE1-CB 4.48Å; F500-L579 HydrophobicContact CE2-CB 3.65Å; F500-L579 HydrophobicContact CE2-CG 4.31Å; F500-L579 HydrophobicContact CG-CB 4.34Å; F500-L579 HydrophobicContact CG-CD1 3.7Å; F500-L579 HydrophobicContact CG-CG 4.23Å; F500-L579 HydrophobicContact CZ-CB 3.99Å; F536-L579 HydrophobicContact CD1-CD1 3.91Å; F536-L579 HydrophobicContact CD2-CD1 3.94Å; F536-L579 HydrophobicContact CE1-CD1 3.97Å; F536-L579 HydrophobicContact CE2-CD1 4.01Å; F536-L579 HydrophobicContact CE2-CD2 4.25Å; F536-L579 HydrophobicContact CG-CD1 3.89Å; F536-L579 HydrophobicContact CZ-CD1 4.02Å; F536-L579 HydrophobicContact CZ-CD2 4.28Å; F536-L579 HydrophobicContact CZ-CG 4.45Å; V540-L579 HydrophobicContact CB-CD1 3.9Å; V540-L579 HydrophobicContact CG1-CD1 3.8Å; V540-L579 HydrophobicContact CG1-CD2 4.1Å; V540-L579 HydrophobicContact CG2-CD1 4.04Å; L542-L579 HydrophobicContact CD2-CD2 4.3Å; E575-L579 PolarHBondContact O-N 2.6Å; L576-L579 PolarHBondContact O-N 2.87Å; L579-N581 VanDerWaalsContact C-N 3.35Å; L579-N581 PolarHBondContact O-N 3.26Å; L579-K582 PolarHBondContact O-N 2.92Å; L579-M583 PolarHBondContact O-N 3.3Å |
| 580 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | N462 Y555 S557 L576 Q577 K582 M583 I584 | N462-V580 HydrophobicContact CB-CG2 4.16Å; Y555-V580 HydrophobicContact CD2-CG1 4.4Å; Y555-V580 HydrophobicContact CE2-CG1 3.62Å; Y555-V580 HydrophobicContact CE2-CG2 4.46Å; S557-V580 WeakPolarHBondContact OG-CG2 3.23Å; L576-V580 HydrophobicContact CD1-CG2 4.43Å; L576-V580 HydrophobicContact CG-CG2 4.49Å; L576-V580 WeakPolarHBondContact O-CG2 3.34Å; L576-V580 PolarHBondContact O-N 3.47Å; Q577-V580 PolarHBondContact O-N 3.43Å; V580-K582 VanDerWaalsContact C-N 3.32Å; V580-K582 PolarHBondContact O-N 2.97Å; V580-M583 WeakPolarHBondContact O-CB 3.45Å; V580-M583 PolarHBondContact O-N 2.87Å; V580-I584 HydrophobicContact CG1-CD1 3.88Å; V580-I584 HydrophobicContact CG1-CG1 4.47Å; V580-I584 WeakPolarHBondContact O-CG1 3.3Å; V580-I584 PolarHBondContact O-N 3.43Å |
| 581 | N | 98.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -43.5 | 175.7 | -71.1 | -11.5 | 0 | 0 | 0 | 111.2 | Q577 E578 L579 I584 E585 | Q577-N581 PolarHBondContact NE2-OD1 2.88Å; Q577-N581 WeakPolarHBondContact O-CB 3.42Å; Q577-N581 PolarHBondContact O-N 2.88Å; Q577-N581 PolarHBondContact O-ND2 3.34Å; Q577-N581 PolarHBondContact O-OD1 3.35Å; E578-N581 PolarHBondContact O-N 3.28Å; L579-N581 VanDerWaalsContact C-N 3.35Å; L579-N581 PolarHBondContact O-N 3.26Å; N581-I584 PolarHBondContact O-N 2.94Å; N581-E585 WeakPolarHBondContact O-CB 3.14Å; N581-E585 PolarHBondContact O-N 3.09Å |
| 582 | K | 98.2 | Very high | 97 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 27% | 0.27 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.5 | -72.6 | -72.5 | 160.3 | -155.1 | 0 | 112.7 | L497 E578 L579 V580 I584 E585 E586 | L497-K582 HydrophobicContact CD1-CB 4.04Å; L497-K582 HydrophobicContact CD2-CB 4.36Å; L497-K582 HydrophobicContact CG-CB 3.83Å; E578-K582 WeakPolarHBondContact O-CG 3.33Å; E578-K582 PolarHBondContact O-N 3.4Å; L579-K582 PolarHBondContact O-N 2.92Å; V580-K582 VanDerWaalsContact C-N 3.32Å; V580-K582 PolarHBondContact O-N 2.97Å; K582-I584 VanDerWaalsContact C-N 3.35Å; K582-E585 IonicContact NZ-OE1 3.91Å; K582-E585 IonicContact NZ-OE2 3.89Å; K582-E585 PolarHBondContact NZ-OE2 3.33Å; K582-E585 PolarHBondContact O-N 2.63Å; K582-E586 WeakPolarHBondContact O-CB 3.36Å; K582-E586 WeakPolarHBondContact O-CG 3.5Å; K582-E586 PolarHBondContact O-N 3.19Å |
| 583 | M | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.6 | 179.9 | -76.7 | -66.9 | 0 | 0 | 110.7 | L497 L542 L544 Y555 L579 V580 E585 F587 Y588 | L497-M583 HydrophobicContact CD2-CB 3.75Å; L542-M583 HydrophobicContact CD1-CE 4.45Å; L542-M583 HydrophobicContact CD1-CG 4.18Å; L542-M583 HydrophobicContact CD2-CB 4.1Å; L542-M583 HydrophobicContact CD2-CG 3.55Å; L542-M583 HydrophobicContact CG-CG 4.44Å; L544-M583 HydrophobicContact CD2-CE 4.25Å; L544-M583 HydrophobicContact CD2-CG 4.08Å; L544-M583 HydrophobicContact CD2-SD 3.75Å; Y555-M583 HydrophobicContact CD1-CE 3.5Å; Y555-M583 VanDerWaalsContact CD1-CE 3.5Å; Y555-M583 HydrophobicContact CD2-CE 3.7Å; Y555-M583 HydrophobicContact CE1-CE 4.03Å; Y555-M583 HydrophobicContact CE2-CE 4.23Å; Y555-M583 HydrophobicContact CG-CE 3.31Å; L579-M583 PolarHBondContact O-N 3.3Å; V580-M583 WeakPolarHBondContact O-CB 3.45Å; V580-M583 PolarHBondContact O-N 2.87Å; M583-E585 PolarHBondContact O-N 3.14Å; M583-F587 HydrophobicContact CG-CB 4.19Å; M583-F587 HydrophobicContact CG-CD2 3.81Å; M583-F587 HydrophobicContact CG-CG 4.31Å; M583-F587 WeakPolarHBondContact O-CA 3.43Å; M583-F587 VanDerWaalsContact O-CB 3.23Å; M583-F587 WeakPolarHBondContact O-CB 3.44Å; M583-F587 PolarHBondContact O-N 3.12Å; M583-F587 HydrophobicContact SD-CB 4.38Å; M583-Y588 PolarHBondContact O-N 3.38Å; M583-Y588 VanDerWaalsContact O-N 3.12Å; M583-Y588 HydrophobicContact SD-CD1 3.7Å; M583-Y588 HydrophobicContact SD-CD2 4.42Å; M583-Y588 HydrophobicContact SD-CE1 3.77Å; M583-Y588 HydrophobicContact SD-CE2 4.46Å; M583-Y588 HydrophobicContact SD-CG 4.05Å |
| 584 | I | 97.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -61.6 | -47.1 | 178.9 | -68.8 | 167.5 | 0 | 0 | 0 | 110.4 | Y466 Y555 V580 N581 K582 Y588 E589 P590 | Y466-I584 HydrophobicContact CE2-CD1 4.37Å; Y466-I584 HydrophobicContact CE2-CG1 4.32Å; Y466-I584 HydrophobicContact CE2-CG2 4.39Å; Y466-I584 WeakPolarHBondContact OH-CG2 3.13Å; Y555-I584 HydrophobicContact CE1-CD1 4.37Å; V580-I584 HydrophobicContact CG1-CD1 3.88Å; V580-I584 HydrophobicContact CG1-CG1 4.47Å; V580-I584 WeakPolarHBondContact O-CG1 3.3Å; V580-I584 PolarHBondContact O-N 3.43Å; N581-I584 PolarHBondContact O-N 2.94Å; K582-I584 VanDerWaalsContact C-N 3.35Å; I584-Y588 WeakPolarHBondContact O-CB 3.48Å; I584-Y588 PolarHBondContact O-N 2.88Å; I584-E589 PolarHBondContact O-N 3.37Å; I584-P590 HydrophobicContact CG2-CG 4.02Å; I584-P590 WeakPolarHBondContact O-CD 3.39Å |
| 585 | E | 96.8 | Very high | 96.5 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 53% | 0.528 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -62 | -52.5 | 179.3 | -175 | -174.6 | 171.1 | 0 | 0 | 112 | N581 K582 M583 E589 | N581-E585 WeakPolarHBondContact O-CB 3.14Å; N581-E585 PolarHBondContact O-N 3.09Å; K582-E585 IonicContact NZ-OE1 3.91Å; K582-E585 IonicContact NZ-OE2 3.89Å; K582-E585 PolarHBondContact NZ-OE2 3.33Å; K582-E585 PolarHBondContact O-N 2.63Å; M583-E585 PolarHBondContact O-N 3.14Å; E585-E589 WeakPolarHBondContact O-CG 3.42Å |
| 586 | E | 96.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -93.1 | -40.6 | -167.7 | -61.5 | -173.1 | -146.5 | 0 | 0 | 113.1 | R480 W484 L497 G498 K582 | R480-E586 VanDerWaalsContact CZ-O 3.3Å; R480-E586 PolarHBondContact NH1-O 2.9Å; R480-E586 PolarHBondContact NH2-O 3.22Å; W484-E586 HydrophobicContact CH2-CB 3.89Å; W484-E586 VanDerWaalsContact CH2-O 3.26Å; W484-E586 WeakPolarHBondContact CH2-O 3.38Å; W484-E586 HydrophobicContact CZ2-CB 4.26Å; L497-E586 HydrophobicContact CD1-CB 3.91Å; L497-E586 HydrophobicContact CD1-CG 4.26Å; G498-E586 PolarHBondContact N-OE1 3.13Å; K582-E586 WeakPolarHBondContact O-CB 3.36Å; K582-E586 WeakPolarHBondContact O-CG 3.5Å; K582-E586 PolarHBondContact O-N 3.19Å |
| 587 | F | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -88.5 | -47.6 | -176.9 | -67 | -3 | 0 | 0 | 0 | 111.6 | M477 R480 I481 W484 P494 L497 I502 F534 L542 L544 M583 | M477-F587 WeakPolarHBondContact CG-O 3.43Å; R480-F587 PolarHBondContact NH2-O 2.89Å; I481-F587 HydrophobicContact CD1-CB 3.92Å; I481-F587 HydrophobicContact CD1-CG 4.22Å; I481-F587 HydrophobicContact CG1-CB 4.42Å; I481-F587 HydrophobicContact CG1-CG 4.45Å; W484-F587 HydrophobicContact CE3-CD1 4.27Å; W484-F587 HydrophobicContact CE3-CE1 4.18Å; W484-F587 AromaticContact CH2-CD1 3.35Å; W484-F587 HydrophobicContact CH2-CD1 3.35Å; W484-F587 AromaticContact CH2-CE1 3.54Å; W484-F587 HydrophobicContact CH2-CE1 3.54Å; W484-F587 HydrophobicContact CZ2-CD1 4.15Å; W484-F587 AromaticContact CZ2-CE1 3.9Å; W484-F587 HydrophobicContact CZ2-CE1 3.9Å; W484-F587 AromaticContact CZ3-CD1 3.4Å; W484-F587 HydrophobicContact CZ3-CD1 3.4Å; W484-F587 AromaticContact CZ3-CE1 3.68Å; W484-F587 HydrophobicContact CZ3-CE1 3.68Å; P494-F587 HydrophobicContact CB-CE1 4.1Å; P494-F587 HydrophobicContact CB-CZ 4.06Å; P494-F587 HydrophobicContact CG-CE1 3.87Å; P494-F587 HydrophobicContact CG-CZ 3.57Å; L497-F587 HydrophobicContact CB-CZ 4.41Å; L497-F587 HydrophobicContact CD1-CD1 4.08Å; L497-F587 HydrophobicContact CD1-CE1 3.75Å; L497-F587 HydrophobicContact CD1-CE2 4.48Å; L497-F587 HydrophobicContact CD1-CZ 3.96Å; L497-F587 HydrophobicContact CD2-CE2 4.2Å; L497-F587 HydrophobicContact CD2-CZ 4.33Å; L497-F587 HydrophobicContact CG-CZ 4.47Å; I502-F587 HydrophobicContact CD1-CZ 4.46Å; F534-F587 HydrophobicContact CD2-CE2 4.13Å; F534-F587 HydrophobicContact CE2-CD2 4.37Å; F534-F587 AromaticContact CE2-CE2 3.85Å; F534-F587 HydrophobicContact CE2-CE2 3.85Å; F534-F587 HydrophobicContact CZ-CE2 4.17Å; L542-F587 HydrophobicContact CD2-CD2 4.4Å; L542-F587 HydrophobicContact CD2-CE2 4.27Å; L544-F587 HydrophobicContact CD1-CB 4.35Å; L544-F587 HydrophobicContact CD1-CD2 3.93Å; M583-F587 HydrophobicContact CG-CB 4.19Å; M583-F587 HydrophobicContact CG-CD2 3.81Å; M583-F587 HydrophobicContact CG-CG 4.31Å; M583-F587 WeakPolarHBondContact O-CA 3.43Å; M583-F587 VanDerWaalsContact O-CB 3.23Å; M583-F587 WeakPolarHBondContact O-CB 3.44Å; M583-F587 PolarHBondContact O-N 3.12Å; M583-F587 HydrophobicContact SD-CB 4.38Å |
| 588 | Y | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -80.2 | -36.1 | -178.7 | -81.8 | 16.8 | 0 | 0 | 0 | 113 | Y466 M477 L544 I553 K554 Y555 M583 I584 P590 N593 F595 | Y466-Y588 AromaticContact CD2-CD2 3.66Å; Y466-Y588 HydrophobicContact CD2-CD2 3.66Å; Y466-Y588 AromaticContact CD2-CE2 3.77Å; Y466-Y588 HydrophobicContact CD2-CE2 3.77Å; Y466-Y588 HydrophobicContact CE2-CD2 4.02Å; Y466-Y588 HydrophobicContact CE2-CE2 4.37Å; Y466-Y588 HydrophobicContact CG-CD2 4.34Å; M477-Y588 HydrophobicContact SD-CD1 3.64Å; M477-Y588 HydrophobicContact SD-CE1 4.15Å; M477-Y588 HydrophobicContact SD-CG 4.34Å; L544-Y588 HydrophobicContact CD1-CE1 4.04Å; L544-Y588 HydrophobicContact CD2-CE1 3.86Å; L544-Y588 HydrophobicContact CG-CE1 4.39Å; I553-Y588 HydrophobicContact CD1-CD1 4.18Å; I553-Y588 HydrophobicContact CD1-CE1 3.56Å; I553-Y588 HydrophobicContact CD1-CE2 4.43Å; I553-Y588 HydrophobicContact CG1-CE1 4.14Å; I553-Y588 HydrophobicContact CG1-CE2 4.46Å; I553-Y588 WeakPolarHBondContact CG1-OH 3.28Å; I553-Y588 HydrophobicContact CG2-CD2 4.44Å; I553-Y588 HydrophobicContact CG2-CE2 3.89Å; K554-Y588 PolarHBondContact O-OH 2.85Å; Y555-Y588 AromaticContact CD1-CE2 3.86Å; Y555-Y588 HydrophobicContact CD1-CE2 3.86Å; Y555-Y588 PolarHBondContact N-OH 3.02Å; M583-Y588 PolarHBondContact O-N 3.38Å; M583-Y588 VanDerWaalsContact O-N 3.12Å; M583-Y588 HydrophobicContact SD-CD1 3.7Å; M583-Y588 HydrophobicContact SD-CD2 4.42Å; M583-Y588 HydrophobicContact SD-CE1 3.77Å; M583-Y588 HydrophobicContact SD-CE2 4.46Å; M583-Y588 HydrophobicContact SD-CG 4.05Å; I584-Y588 WeakPolarHBondContact O-CB 3.48Å; I584-Y588 PolarHBondContact O-N 2.88Å; Y588-P590 VanDerWaalsContact C-N 3.32Å; Y588-N593 PolarHBondContact O-ND2 3.44Å; Y588-F595 HydrophobicContact CD2-CD2 4.37Å; Y588-F595 HydrophobicContact CG-CD2 4.36Å; Y588-F595 HydrophobicContact CG-CE2 4.34Å; Y588-F595 WeakPolarHBondContact O-CE2 3.47Å |
| 589 | E | 96.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | trans | 40.5 | 57.3 | -172.9 | -61.9 | 179.9 | 111.4 | 0 | 0 | 111.4 | R480 I584 E585 E591 K592 N593 | R480-E589 IonicContact CZ-OE2 3.13Å; R480-E589 IonicContact NE-OE2 3.87Å; R480-E589 PolarHBondContact NE-OE2 3.22Å; R480-E589 IonicContact NH1-OE2 2.73Å; R480-E589 IonicContact NH2-OE2 2.69Å; R480-E589 PolarHBondContact NH2-OE2 3.11Å; R480-E589 VanDerWaalsContact NH2-OE2 3.13Å; I584-E589 PolarHBondContact O-N 3.37Å; E585-E589 WeakPolarHBondContact O-CG 3.42Å; E589-E591 VanDerWaalsContact C-N 3.32Å; E589-E591 PolarHBondContact O-N 3.43Å; E589-K592 HydrophobicContact CB-CB 4.02Å; E589-K592 HydrophobicContact CB-CD 4.1Å; E589-K592 VanDerWaalsContact CD-CD 3.47Å; E589-K592 HydrophobicContact CG-CD 4.4Å; E589-K592 WeakPolarHBondContact O-CB 3.27Å; E589-K592 PolarHBondContact O-N 2.95Å; E589-K592 WeakPolarHBondContact OE1-CD 3.1Å; E589-K592 IonicContact OE1-NZ 2.98Å; E589-K592 PolarHBondContact OE1-NZ 3.37Å; E589-K592 WeakPolarHBondContact OE2-CD 3.27Å; E589-K592 IonicContact OE2-NZ 3.85Å; E589-K592 PolarHBondContact OE2-NZ 3.32Å; E589-N593 PolarHBondContact O-N 3.08Å; E589-N593 PolarHBondContact O-ND2 3.04Å | ||
| 590 | P | 95.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 68 Ų | 68 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | -162.7 | 21.8 | -34.2 | 0 | 0 | 0 | 113.4 | Y466 I584 Y588 K592 N593 G594 F595 | Y466-P590 HydrophobicContact CD1-CB 4.1Å; Y466-P590 HydrophobicContact CE1-CB 3.75Å; Y466-P590 HydrophobicContact CE1-CG 4.25Å; I584-P590 HydrophobicContact CG2-CG 4.02Å; I584-P590 WeakPolarHBondContact O-CD 3.39Å; Y588-P590 VanDerWaalsContact C-N 3.32Å; P590-K592 PolarHBondContact O-N 3.44Å; P590-N593 CarbonylContact O-C 3.58Å; P590-N593 PolarHBondContact O-N 3.25Å; P590-G594 CarbonylContact O-C 3.57Å; P590-G594 WeakPolarHBondContact O-CA 3.49Å; P590-G594 PolarHBondContact O-N 3.28Å; P590-F595 HydrophobicContact CB-CB 3.83Å; P590-F595 HydrophobicContact CB-CD2 4.49Å; P590-F595 PolarHBondContact O-N 3.23Å |
| 591 | E | 93.7 | Very high | 90.5 | Very high | 191 Ų | 191 | 71.4 Ų | 71.4 | 89% | 0.893 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 177 | -64.5 | -177.2 | 174.7 | 0 | 0 | 112.1 | E589 G594 | E589-E591 VanDerWaalsContact C-N 3.32Å; E589-E591 PolarHBondContact O-N 3.43Å; E591-G594 PolarHBondContact O-N 3.45Å |
| 592 | K | 93.7 | Very high | 90.1 | Very high | 137 Ų | 137 | 70.8 Ų | 70.8 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.7 | -37.2 | 179.1 | -178.5 | -171.6 | -179.8 | -176.1 | 0 | 112.1 | E589 P590 | E589-K592 HydrophobicContact CB-CB 4.02Å; E589-K592 HydrophobicContact CB-CD 4.1Å; E589-K592 VanDerWaalsContact CD-CD 3.47Å; E589-K592 HydrophobicContact CG-CD 4.4Å; E589-K592 WeakPolarHBondContact O-CB 3.27Å; E589-K592 PolarHBondContact O-N 2.95Å; E589-K592 WeakPolarHBondContact OE1-CD 3.1Å; E589-K592 IonicContact OE1-NZ 2.98Å; E589-K592 PolarHBondContact OE1-NZ 3.37Å; E589-K592 WeakPolarHBondContact OE2-CD 3.27Å; E589-K592 IonicContact OE2-NZ 3.85Å; E589-K592 PolarHBondContact OE2-NZ 3.32Å; P590-K592 PolarHBondContact O-N 3.44Å |
| 593 | N | 93.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.053 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -93.2 | 0.6 | -178.7 | -66.2 | -49.4 | 0 | 0 | 0 | 113.5 | K473 Y588 E589 P590 F595 | K473-N593 WeakPolarHBondContact CD-O 3.46Å; Y588-N593 PolarHBondContact O-ND2 3.44Å; E589-N593 PolarHBondContact O-N 3.08Å; E589-N593 PolarHBondContact O-ND2 3.04Å; P590-N593 CarbonylContact O-C 3.58Å; P590-N593 PolarHBondContact O-N 3.25Å; N593-F595 VanDerWaalsContact C-N 3.28Å; N593-F595 HydrophobicContact CB-CD1 3.8Å; N593-F595 HydrophobicContact CB-CD2 4.18Å; N593-F595 HydrophobicContact CB-CE1 3.52Å; N593-F595 HydrophobicContact CB-CE2 3.91Å; N593-F595 HydrophobicContact CB-CG 4.12Å; N593-F595 HydrophobicContact CB-CZ 3.58Å; N593-F595 WeakPolarHBondContact O-CD1 3.27Å; N593-F595 PolarHBondContact O-N 3.44Å |
| 594 | G | 92.5 | Very high | 89.2 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 33.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P590 E591 | P590-G594 CarbonylContact O-C 3.57Å; P590-G594 WeakPolarHBondContact O-CA 3.49Å; P590-G594 PolarHBondContact O-N 3.28Å; E591-G594 PolarHBondContact O-N 3.45Å |
| 595 | F | 93.9 | Very high | 88.7 | Confident | 9 Ų | 9 | 78.6 Ų | 78.6 | 4% | 0.039 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -81 | 127.1 | 177.2 | -64.3 | -11.7 | 0 | 0 | 0 | 109.9 | Y466 F467 C468 K473 I474 M477 I553 Y588 P590 N593 | Y466-F595 HydrophobicContact CD1-CB 3.77Å; Y466-F595 HydrophobicContact CG-CB 4.12Å; F467-F595 WeakPolarHBondContact O-CA 3.43Å; C468-F595 HydrophobicContact CB-CD1 3.63Å; C468-F595 HydrophobicContact CB-CE1 3.79Å; C468-F595 VanDerWaalsContact SG-CE1 3.54Å; K473-F595 HydrophobicContact CB-CE1 4.49Å; I474-F595 HydrophobicContact CG1-CE1 4.28Å; I474-F595 HydrophobicContact CG1-CZ 4.5Å; M477-F595 HydrophobicContact CB-CZ 4.28Å; M477-F595 HydrophobicContact CG-CE2 4.35Å; M477-F595 HydrophobicContact CG-CZ 4.41Å; M477-F595 HydrophobicContact SD-CE2 3.65Å; M477-F595 HydrophobicContact SD-CZ 3.98Å; I553-F595 HydrophobicContact CD1-CE2 4.47Å; I553-F595 HydrophobicContact CG2-CD2 4.32Å; I553-F595 HydrophobicContact CG2-CE2 4.31Å; Y588-F595 HydrophobicContact CD2-CD2 4.37Å; Y588-F595 HydrophobicContact CG-CD2 4.36Å; Y588-F595 HydrophobicContact CG-CE2 4.34Å; Y588-F595 WeakPolarHBondContact O-CE2 3.47Å; P590-F595 HydrophobicContact CB-CB 3.83Å; P590-F595 HydrophobicContact CB-CD2 4.49Å; P590-F595 PolarHBondContact O-N 3.23Å; N593-F595 VanDerWaalsContact C-N 3.28Å; N593-F595 HydrophobicContact CB-CD1 3.8Å; N593-F595 HydrophobicContact CB-CD2 4.18Å; N593-F595 HydrophobicContact CB-CE1 3.52Å; N593-F595 HydrophobicContact CB-CE2 3.91Å; N593-F595 HydrophobicContact CB-CG 4.12Å; N593-F595 HydrophobicContact CB-CZ 3.58Å; N593-F595 WeakPolarHBondContact O-CD1 3.27Å; N593-F595 PolarHBondContact O-N 3.44Å |
| 596 | L | 92.4 | Very high | 88.1 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.3 | -178.7 | -55 | 172.5 | 0 | 0 | 0 | 109.5 | Y466 F467 | Y466-L596 CarbonylContact C-O 3.48Å; Y466-L596 WeakPolarHBondContact CA-O 3.25Å; Y466-L596 WeakPolarHBondContact CD1-O 3.42Å; F467-L596 HydrophobicContact CB-CB 4.23Å; F467-L596 PolarHBondContact N-O 2.86Å; F467-L596 PolarHBondContact O-N 3.44Å |
| 597 | P | 88.1 | Confident | 87.5 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 163.2 | 174.6 | 29.7 | -34.8 | 0 | 0 | 0 | 110.2 | Y466 V599 | Y466-P597 HydrophobicContact CD1-CB 4.35Å; Y466-P597 HydrophobicContact CE1-CB 3.93Å; P597-V599 PolarHBondContact O-N 2.82Å |
| 598 | R | 78 | Confident | 86.8 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 134.9 | 165.4 | -177 | -177.3 | -178.7 | 167.3 | 1.3 | 108.9 | Y465 | Y465-R598 HydrophobicContact CE2-CB 4.19Å; Y465-R598 HydrophobicContact CE2-CG 4.36Å; Y465-R598 WeakPolarHBondContact OH-CD 3.36Å; Y465-R598 WeakPolarHBondContact OH-CG 3.29Å; Y465-R598 PolarHBondContact OH-NE 3.18Å |
| 599 | V | 64.8 | Low | 86 | Confident | 135 Ų | 135 | 90.8 Ų | 90.8 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | trans | -83.4 | 115.5 | 162.4 | -171.1 | 0 | 0 | 0 | 0 | 105.3 | P597 | P597-V599 PolarHBondContact O-N 2.82Š| ||
| 600 | D | 49.9 | Very low | 85.1 | Confident | 202 Ų | 202 | 94.8 Ų | 94.8 | 100% | 1.08 | 50% | 0.499 | S | S | * | . | trans | -66.7 | 0 | 179.5 | -74.1 | -26.1 | 0 | 0 | 0 | 112.8 |
Retrieved 600 of 600 residues in 496.4 ms
(Link to these results)