| 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 | 57.2 | Low | 84.5 | Confident | 152 Ų | 152 | 75.5 Ų | 75.5 | 75% | 0.749 | 41% | 0.412 | S | S | * | . | 0 | -44.3 | 0 | -62.7 | -162.3 | -164.1 | 0 | 0 | 112.4 | A3 | M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 2.94Å; M1-A3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | N | 70.9 | Confident | 85.4 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.8 | -165.9 | -57.4 | 5.4 | 0 | 0 | 0 | 116.4 | E4 I5 L10 | N2-E4 PolarHBondContact O-N 2.89Å; N2-E4 VanDerWaalsContact O-N 3.12Å; N2-I5 PolarHBondContact O-N 3.38Å; N2-I5 VanDerWaalsContact O-O 3.14Å; N2-L10 HydrophobicContact CB-CD1 3.94Å; N2-L10 HydrophobicContact CB-CD2 4.21Å |
| 3 | A | 70.6 | Confident | 86.3 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 90% | 0.901 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -63.3 | -16.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M1 I5 | M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 2.94Å; M1-A3 VanDerWaalsContact O-N 3.12Å; A3-I5 VanDerWaalsContact C-N 3.28Å |
| 4 | E | 81.4 | Confident | 87.1 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 29% | 0.29 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -83.6 | -0.2 | 173.7 | -66.1 | 179.1 | 128.6 | 0 | 0 | 112.5 | N2 R18 K21 I26 W28 | N2-E4 PolarHBondContact O-N 2.89Å; N2-E4 VanDerWaalsContact O-N 3.12Å; E4-R18 IonicContact OE2-NH1 3.64Å; E4-K21 IonicContact OE1-NZ 2.65Å; E4-K21 PolarHBondContact OE1-NZ 2.83Å; E4-K21 VanDerWaalsContact OE1-NZ 3.14Å; E4-I26 HydrophobicContact CG-CD1 4.38Å; E4-I26 WeakPolarHBondContact OE1-CD1 3.49Å; E4-I26 WeakPolarHBondContact OE2-CD1 3.03Å; E4-W28 HydrophobicContact CB-CH2 4.25Å; E4-W28 HydrophobicContact CB-CZ2 3.78Å |
| 5 | I | 88.3 | Confident | 87.7 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -131.8 | 131.5 | -166.1 | -57.6 | 169.8 | 0 | 0 | 0 | 111.4 | N2 A3 I9 L10 I15 W28 Y89 | N2-I5 PolarHBondContact O-N 3.38Å; N2-I5 VanDerWaalsContact O-O 3.14Å; A3-I5 VanDerWaalsContact C-N 3.28Å; I5-I9 HydrophobicContact CG2-CB 3.73Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 HydrophobicContact CG2-CG2 3.7Å; I5-L10 HydrophobicContact CB-CD2 4.17Å; I5-L10 HydrophobicContact CB-CG 4.45Å; I5-L10 HydrophobicContact CG2-CD2 3.77Å; I5-L10 HydrophobicContact CG2-CG 3.95Å; I5-I15 HydrophobicContact CD1-CB 4.41Å; I5-I15 HydrophobicContact CD1-CD1 3.72Å; I5-I15 HydrophobicContact CD1-CG1 3.62Å; I5-I15 HydrophobicContact CD1-CG2 4.02Å; I5-W28 HydrophobicContact CD1-CD2 3.83Å; I5-W28 HydrophobicContact CD1-CE3 4.02Å; I5-W28 HydrophobicContact CD1-CG 4.41Å; I5-W28 HydrophobicContact CD1-CH2 4.01Å; I5-W28 HydrophobicContact CD1-CZ2 3.81Å; I5-W28 HydrophobicContact CD1-CZ3 4.1Å; I5-W28 HydrophobicContact CG1-CE3 4.42Å; I5-W28 HydrophobicContact CG1-CH2 3.62Å; I5-W28 HydrophobicContact CG1-CZ2 3.73Å; I5-W28 HydrophobicContact CG1-CZ3 3.99Å; I5-Y89 HydrophobicContact CG2-CE1 4.24Å |
| 6 | E | 91.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | trans | -74 | 151.5 | -174.8 | -67.3 | 175.4 | -178.2 | 0 | 0 | 113.6 | H8 I9 L10 A82 S83 S84 Y89 | E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.17Å; E6-H8 IonicContact OE2-CE1 3.4Å; E6-H8 PolarHBondContact OE2-CE1 2.85Å; E6-H8 IonicContact OE2-ND1 2.85Å; E6-I9 HydrophobicContact CB-CG1 4.46Å; E6-I9 WeakPolarHBondContact O-CB 3.19Å; E6-I9 PolarHBondContact O-N 2.71Å; E6-I9 VanDerWaalsContact O-N 3.11Å; E6-L10 PolarHBondContact O-N 3.08Å; E6-L10 VanDerWaalsContact O-N 3.17Å; E6-A82 VanDerWaalsContact OE2-CA 3.31Å; E6-A82 WeakPolarHBondContact OE2-CA 3.41Å; E6-A82 WeakPolarHBondContact OE2-CB 3.48Å; E6-S83 PolarHBondContact OE2-N 3.07Å; E6-S84 VanDerWaalsContact OE1-CB 3.29Å; E6-S84 WeakPolarHBondContact OE1-CB 3.46Å; E6-S84 PolarHBondContact OE1-N 3.14Å; E6-S84 PolarHBondContact OE1-OG 3.48Å; E6-Y89 PolarHBondContact N-OH 3.42Å | ||
| 7 | P | 92.2 | Very high | 88.6 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.4 | -32.1 | -170.7 | -27.2 | 36.2 | 0 | 0 | 0 | 115.8 | L10 K11 | P7-L10 CarbonylContact O-C 3.59Å; P7-L10 PolarHBondContact O-N 2.62Å; P7-K11 PolarHBondContact O-N 2.96Å |
| 8 | H | 93.3 | Very high | 88.9 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 177.6 | 68.9 | -41.8 | 0 | 0 | 0 | 112 | E6 L10 K11 M12 R81 | E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.17Å; E6-H8 IonicContact OE2-CE1 3.4Å; E6-H8 PolarHBondContact OE2-CE1 2.85Å; E6-H8 IonicContact OE2-ND1 2.85Å; H8-L10 VanDerWaalsContact C-N 3.34Å; H8-K11 WeakPolarHBondContact O-CB 3.27Å; H8-K11 PolarHBondContact O-N 3.05Å; H8-M12 PolarHBondContact O-N 3.33Å; H8-R81 PolarHBondContact NE2-O 3.47Å |
| 9 | I | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 171.5 | -49.9 | -55.2 | 0 | 0 | 0 | 110.1 | I5 E6 K11 M12 F13 L41 I80 Y89 | I5-I9 HydrophobicContact CG2-CB 3.73Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 HydrophobicContact CG2-CG2 3.7Å; E6-I9 HydrophobicContact CB-CG1 4.46Å; E6-I9 WeakPolarHBondContact O-CB 3.19Å; E6-I9 PolarHBondContact O-N 2.71Å; E6-I9 VanDerWaalsContact O-N 3.11Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 3.23Å; I9-M12 PolarHBondContact O-N 3.35Å; I9-M12 VanDerWaalsContact O-N 3.08Å; I9-F13 HydrophobicContact CG2-CD2 3.88Å; I9-F13 WeakPolarHBondContact O-CD2 3.33Å; I9-F13 PolarHBondContact O-N 2.97Å; I9-L41 HydrophobicContact CG2-CD1 4.32Å; I9-L41 HydrophobicContact CG2-CD2 3.74Å; I9-I80 HydrophobicContact CD1-CB 4.29Å; I9-I80 HydrophobicContact CD1-CG2 3.61Å; I9-Y89 HydrophobicContact CD1-CD1 4.42Å; I9-Y89 HydrophobicContact CD1-CD2 3.75Å; I9-Y89 HydrophobicContact CD1-CE2 4.15Å; I9-Y89 HydrophobicContact CD1-CG 3.9Å; I9-Y89 HydrophobicContact CG1-CD1 4.12Å; I9-Y89 HydrophobicContact CG1-CD2 3.82Å; I9-Y89 HydrophobicContact CG1-CE1 4.02Å; I9-Y89 HydrophobicContact CG1-CE2 3.72Å; I9-Y89 HydrophobicContact CG1-CG 4.03Å; I9-Y89 HydrophobicContact CG2-CD1 4.21Å; I9-Y89 HydrophobicContact CG2-CE1 4.29Å |
| 10 | L | 95.1 | Very high | 88.8 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68 | -21.6 | 175.4 | -61.3 | 174.9 | 0 | 0 | 0 | 113.3 | N2 I5 E6 P7 H8 F13 I15 K33 | N2-L10 HydrophobicContact CB-CD1 3.94Å; N2-L10 HydrophobicContact CB-CD2 4.21Å; I5-L10 HydrophobicContact CB-CD2 4.17Å; I5-L10 HydrophobicContact CB-CG 4.45Å; I5-L10 HydrophobicContact CG2-CD2 3.77Å; I5-L10 HydrophobicContact CG2-CG 3.95Å; E6-L10 PolarHBondContact O-N 3.08Å; E6-L10 VanDerWaalsContact O-N 3.17Å; P7-L10 CarbonylContact O-C 3.59Å; P7-L10 PolarHBondContact O-N 2.62Å; H8-L10 VanDerWaalsContact C-N 3.34Å; L10-F13 VanDerWaalsContact O-O 3.12Å; L10-I15 HydrophobicContact CD2-CD1 4.46Å; L10-I15 HydrophobicContact CD2-CG1 3.71Å; L10-K33 PolarHBondContact O-NZ 3.23Å |
| 11 | K | 94.7 | Very high | 88.6 | Confident | 177 Ų | 177 | 76.2 Ų | 76.2 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -71 | -33.7 | 169.2 | -169.1 | 174.6 | -179 | 176.1 | 0 | 111.7 | P7 H8 I9 K33 | P7-K11 PolarHBondContact O-N 2.96Å; H8-K11 WeakPolarHBondContact O-CB 3.27Å; H8-K11 PolarHBondContact O-N 3.05Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 3.23Å; K11-K33 WeakPolarHBondContact O-CD 3.34Å |
| 12 | M | 95.4 | Very high | 89.5 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -87.6 | -34.1 | -179.2 | -65.2 | 176.5 | 66.4 | 0 | 0 | 114.1 | H8 I9 K33 I80 | H8-M12 PolarHBondContact O-N 3.33Å; I9-M12 PolarHBondContact O-N 3.35Å; I9-M12 VanDerWaalsContact O-N 3.08Å; M12-K33 VanDerWaalsContact O-CB 3.32Å; M12-K33 WeakPolarHBondContact O-CB 3.44Å; M12-K33 PolarHBondContact O-N 3.34Å; M12-I80 HydrophobicContact CE-CD1 3.73Å; M12-I80 HydrophobicContact SD-CD1 4.09Å |
| 13 | F | 97.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 2% | 0.022 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.7 | -171.3 | -57.6 | -78.4 | 0 | 0 | 0 | 112.3 | I9 L10 I15 A30 L31 N32 K33 I39 I80 V91 | I9-F13 HydrophobicContact CG2-CD2 3.88Å; I9-F13 WeakPolarHBondContact O-CD2 3.33Å; I9-F13 PolarHBondContact O-N 2.97Å; L10-F13 VanDerWaalsContact O-O 3.12Å; F13-I15 HydrophobicContact CB-CD1 4.27Å; F13-A30 HydrophobicContact CB-CB 4.18Å; F13-L31 CarbonylContact C-O 3.59Å; F13-L31 WeakPolarHBondContact CA-O 3.37Å; F13-N32 HydrophobicContact CD1-CB 4.26Å; F13-N32 HydrophobicContact CE1-CB 4.14Å; F13-K33 WeakPolarHBondContact O-CE 3.46Å; F13-I39 HydrophobicContact CD1-CD1 3.92Å; F13-I39 HydrophobicContact CD1-CG1 3.9Å; F13-I39 HydrophobicContact CE1-CD1 4.03Å; F13-I39 HydrophobicContact CE1-CG1 3.88Å; F13-I80 HydrophobicContact CE2-CD1 3.8Å; F13-I80 HydrophobicContact CZ-CD1 4.26Å; F13-V91 HydrophobicContact CE1-CG1 4.07Å; F13-V91 HydrophobicContact CE2-CG2 4.16Å; F13-V91 HydrophobicContact CZ-CG1 3.99Å; F13-V91 HydrophobicContact CZ-CG2 3.75Å |
| 14 | E | 96.8 | Very high | 89.9 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.5 | 169.7 | -163.4 | -141.6 | 135.6 | 0 | 0 | 109.2 | K16 A30 L31 K33 | E14-K16 VanDerWaalsContact CD-CE 3.48Å; E14-K16 PolarHBondContact O-N 2.79Å; E14-K16 VanDerWaalsContact OE1-CE 3.29Å; E14-K16 WeakPolarHBondContact OE1-CE 3.24Å; E14-K16 IonicContact OE1-NZ 3.11Å; E14-K16 PolarHBondContact OE1-NZ 3.2Å; E14-K16 VanDerWaalsContact OE2-CE 3.27Å; E14-K16 WeakPolarHBondContact OE2-CE 3.45Å; E14-K16 IonicContact OE2-NZ 3.51Å; E14-K16 PolarHBondContact OE2-NZ 3.23Å; E14-A30 CarbonylContact O-C 3.6Å; E14-A30 WeakPolarHBondContact O-CA 3.35Å; E14-A30 WeakPolarHBondContact O-CB 3.09Å; E14-L31 HydrophobicContact CB-CB 4.24Å; E14-L31 PolarHBondContact N-O 3.12Å; E14-L31 PolarHBondContact O-N 3.21Å; E14-K33 HydrophobicContact CB-CG 4.35Å |
| 15 | I | 96.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.4 | -168.7 | -50.2 | -59.2 | 0 | 0 | 0 | 110 | I5 L10 F13 W28 A30 L41 | I5-I15 HydrophobicContact CD1-CB 4.41Å; I5-I15 HydrophobicContact CD1-CD1 3.72Å; I5-I15 HydrophobicContact CD1-CG1 3.62Å; I5-I15 HydrophobicContact CD1-CG2 4.02Å; L10-I15 HydrophobicContact CD2-CD1 4.46Å; L10-I15 HydrophobicContact CD2-CG1 3.71Å; F13-I15 HydrophobicContact CB-CD1 4.27Å; I15-W28 HydrophobicContact CG2-CB 3.98Å; I15-W28 HydrophobicContact CG2-CG 3.91Å; I15-A30 HydrophobicContact CD1-CB 3.87Å; I15-L41 HydrophobicContact CD1-CD2 3.78Å |
| 16 | K | 95.7 | Very high | 90.4 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -46.5 | -173.3 | -60.2 | -66.9 | -173.9 | -178.2 | 0 | 113.3 | E14 K29 | E14-K16 VanDerWaalsContact CD-CE 3.48Å; E14-K16 PolarHBondContact O-N 2.79Å; E14-K16 VanDerWaalsContact OE1-CE 3.29Å; E14-K16 WeakPolarHBondContact OE1-CE 3.24Å; E14-K16 IonicContact OE1-NZ 3.11Å; E14-K16 PolarHBondContact OE1-NZ 3.2Å; E14-K16 VanDerWaalsContact OE2-CE 3.27Å; E14-K16 WeakPolarHBondContact OE2-CE 3.45Å; E14-K16 IonicContact OE2-NZ 3.51Å; E14-K16 PolarHBondContact OE2-NZ 3.23Å; K16-K29 WeakPolarHBondContact CA-O 3.45Å; K16-K29 HydrophobicContact CB-CG 4.47Å; K16-K29 WeakPolarHBondContact CB-O 3.45Å; K16-K29 PolarHBondContact N-O 3.19Å |
| 17 | K | 94.8 | Very high | 90.6 | Very high | 134 Ų | 134 | 70 Ų | 70 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 136.9 | -174.7 | -178.8 | 179 | 177.1 | -176.7 | 0 | 111.6 | I19 W28 K29 | K17-I19 PolarHBondContact O-N 3.35Å; K17-W28 CarbonylContact O-C 3.51Å; K17-W28 VanDerWaalsContact O-CA 3.28Å; K17-W28 WeakPolarHBondContact O-CA 3.44Å; K17-K29 HydrophobicContact CB-CB 4.31Å; K17-K29 PolarHBondContact N-O 3.02Å; K17-K29 VanDerWaalsContact N-O 3.16Å; K17-K29 PolarHBondContact O-N 3.29Å |
| 18 | R | 94 | Very high | 90.8 | Very high | 130 Ų | 130 | 64.9 Ų | 64.9 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.1 | 166.9 | -170.5 | 174.7 | 66.1 | -161.9 | 1.4 | 109.8 | E4 I26 | E4-R18 IonicContact OE2-NH1 3.64Å; R18-I26 HydrophobicContact CG-CG2 3.7Å |
| 19 | I | 90.5 | Very high | 91 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -50.6 | 179.4 | -55.1 | 170.6 | 0 | 0 | 0 | 109.5 | K17 V27 K29 A40 Y94 | K17-I19 PolarHBondContact O-N 3.35Å; I19-V27 HydrophobicContact CD1-CG1 4.22Å; I19-V27 PolarHBondContact N-O 2.87Å; I19-K29 HydrophobicContact CD1-CB 4.07Å; I19-K29 HydrophobicContact CG1-CB 4.14Å; I19-A40 HydrophobicContact CD1-CB 4.5Å; I19-Y94 HydrophobicContact CD1-CD2 3.84Å; I19-Y94 HydrophobicContact CD1-CE2 3.64Å; I19-Y94 HydrophobicContact CG1-CE2 4.36Å |
| 20 | G | 85.6 | Confident | 91.1 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 162.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I26 V27 | G20-I26 WeakPolarHBondContact O-CG2 3.4Å; G20-V27 PolarHBondContact N-O 3.1Å; G20-V27 PolarHBondContact O-N 3.42Å |
| 21 | K | 85.2 | Confident | 91.2 | Very high | 123 Ų | 123 | 64.6 Ų | 64.6 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 123.3 | 170.1 | 178.8 | 160.8 | -164.9 | 164.9 | 0 | 107 | E4 G25 I26 | E4-K21 IonicContact OE1-NZ 2.65Å; E4-K21 PolarHBondContact OE1-NZ 2.83Å; E4-K21 VanDerWaalsContact OE1-NZ 3.14Å; K21-G25 WeakPolarHBondContact CA-O 3.18Å; K21-I26 HydrophobicContact CB-CG1 4.06Å; K21-I26 HydrophobicContact CD-CD1 3.71Å; K21-I26 HydrophobicContact CD-CG1 3.72Å; K21-I26 HydrophobicContact CG-CD1 4.29Å; K21-I26 HydrophobicContact CG-CG1 3.71Å |
| 22 | G | 75.5 | Confident | 91.3 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -177.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y24 G25 | G22-Y24 PolarHBondContact O-N 3.4Å; G22-G25 PolarHBondContact N-O 3.19Å; G22-G25 PolarHBondContact O-N 3.46Å |
| 23 | A | 71.3 | Confident | 91.4 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 79% | 0.785 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -33.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 24 | Y | 79 | Confident | 91.3 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 46% | 0.459 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -5.8 | -174.6 | -51 | -78.7 | 0 | 0 | 0 | 114.5 | G22 I44 F45 R56 | G22-Y24 PolarHBondContact O-N 3.4Å; Y24-I44 CarbonylContact O-C 3.58Å; Y24-I44 VanDerWaalsContact O-CA 3.32Å; Y24-I44 WeakPolarHBondContact O-CA 3.2Å; Y24-I44 WeakPolarHBondContact O-CG2 3.23Å; Y24-F45 PolarHBondContact O-N 3.43Å; Y24-R56 PolarHBondContact OH-NH1 2.59Å |
| 25 | G | 86.8 | Confident | 91.3 | Very high | 11 Ų | 11 | 66.6 Ų | 66.6 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -176.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | K21 G22 K43 | K21-G25 WeakPolarHBondContact CA-O 3.18Å; G22-G25 PolarHBondContact N-O 3.19Å; G22-G25 PolarHBondContact O-N 3.46Å; G25-K43 CarbonylContact C-O 3.51Å; G25-K43 WeakPolarHBondContact CA-O 3.45Å |
| 26 | I | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.3 | 175.9 | -60.1 | 177.9 | 0 | 0 | 0 | 110 | E4 R18 G20 K21 W28 K42 K43 F45 | E4-I26 HydrophobicContact CG-CD1 4.38Å; E4-I26 WeakPolarHBondContact OE1-CD1 3.49Å; E4-I26 WeakPolarHBondContact OE2-CD1 3.03Å; R18-I26 HydrophobicContact CG-CG2 3.7Å; G20-I26 WeakPolarHBondContact O-CG2 3.4Å; K21-I26 HydrophobicContact CB-CG1 4.06Å; K21-I26 HydrophobicContact CD-CD1 3.71Å; K21-I26 HydrophobicContact CD-CG1 3.72Å; K21-I26 HydrophobicContact CG-CD1 4.29Å; K21-I26 HydrophobicContact CG-CG1 3.71Å; I26-W28 HydrophobicContact CB-CH2 3.65Å; I26-W28 HydrophobicContact CB-CZ2 3.76Å; I26-W28 HydrophobicContact CB-CZ3 4.05Å; I26-W28 HydrophobicContact CD1-CH2 4.38Å; I26-W28 HydrophobicContact CD1-CZ2 4.06Å; I26-W28 HydrophobicContact CG2-CD2 3.78Å; I26-W28 HydrophobicContact CG2-CE3 4.1Å; I26-W28 HydrophobicContact CG2-CH2 3.7Å; I26-W28 HydrophobicContact CG2-CZ2 3.32Å; I26-W28 HydrophobicContact CG2-CZ3 4.07Å; I26-K42 CarbonylContact O-C 3.55Å; I26-K42 WeakPolarHBondContact O-CA 3.47Å; I26-K43 PolarHBondContact N-O 3.29Å; I26-K43 PolarHBondContact O-N 2.91Å; I26-F45 HydrophobicContact CD1-CE2 3.99Å; I26-F45 HydrophobicContact CD1-CZ 3.59Å; I26-F45 HydrophobicContact CG1-CE2 3.71Å; I26-F45 HydrophobicContact CG1-CZ 3.73Å |
| 27 | V | 94.7 | Very high | 91.3 | Very high | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.5 | 174.9 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | I19 G20 A40 L41 K42 | I19-V27 HydrophobicContact CD1-CG1 4.22Å; I19-V27 PolarHBondContact N-O 2.87Å; G20-V27 PolarHBondContact N-O 3.1Å; G20-V27 PolarHBondContact O-N 3.42Å; V27-A40 HydrophobicContact CG1-CB 4.29Å; V27-L41 CarbonylContact C-O 3.5Å; V27-L41 VanDerWaalsContact CA-O 3.28Å; V27-L41 WeakPolarHBondContact CA-O 3.08Å; V27-K42 HydrophobicContact CG1-CB 4.46Å; V27-K42 HydrophobicContact CG2-CB 4.08Å; V27-K42 HydrophobicContact CG2-CG 4.25Å |
| 28 | W | 96.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.5 | 174.2 | -55.8 | -97.6 | 0 | 0 | 0 | 112.1 | E4 I5 I15 K17 I26 A40 L41 K43 | E4-W28 HydrophobicContact CB-CH2 4.25Å; E4-W28 HydrophobicContact CB-CZ2 3.78Å; I5-W28 HydrophobicContact CD1-CD2 3.83Å; I5-W28 HydrophobicContact CD1-CE3 4.02Å; I5-W28 HydrophobicContact CD1-CG 4.41Å; I5-W28 HydrophobicContact CD1-CH2 4.01Å; I5-W28 HydrophobicContact CD1-CZ2 3.81Å; I5-W28 HydrophobicContact CD1-CZ3 4.1Å; I5-W28 HydrophobicContact CG1-CE3 4.42Å; I5-W28 HydrophobicContact CG1-CH2 3.62Å; I5-W28 HydrophobicContact CG1-CZ2 3.73Å; I5-W28 HydrophobicContact CG1-CZ3 3.99Å; I15-W28 HydrophobicContact CG2-CB 3.98Å; I15-W28 HydrophobicContact CG2-CG 3.91Å; K17-W28 CarbonylContact O-C 3.51Å; K17-W28 VanDerWaalsContact O-CA 3.28Å; K17-W28 WeakPolarHBondContact O-CA 3.44Å; I26-W28 HydrophobicContact CB-CH2 3.65Å; I26-W28 HydrophobicContact CB-CZ2 3.76Å; I26-W28 HydrophobicContact CB-CZ3 4.05Å; I26-W28 HydrophobicContact CD1-CH2 4.38Å; I26-W28 HydrophobicContact CD1-CZ2 4.06Å; I26-W28 HydrophobicContact CG2-CD2 3.78Å; I26-W28 HydrophobicContact CG2-CE3 4.1Å; I26-W28 HydrophobicContact CG2-CH2 3.7Å; I26-W28 HydrophobicContact CG2-CZ2 3.32Å; I26-W28 HydrophobicContact CG2-CZ3 4.07Å; W28-A40 WeakPolarHBondContact O-CA 3.49Å; W28-L41 HydrophobicContact CE3-CD2 4.26Å; W28-L41 HydrophobicContact CE3-CG 4.38Å; W28-L41 PolarHBondContact N-O 2.88Å; W28-L41 PolarHBondContact O-N 3.01Å; W28-K43 HydrophobicContact CH2-CB 3.97Å; W28-K43 HydrophobicContact CH2-CD 4.38Å; W28-K43 HydrophobicContact CZ3-CB 3.59Å |
| 29 | K | 97.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.9 | 158 | -173.3 | 176.8 | -163.2 | 172.1 | 0 | 107.4 | K16 K17 I19 I38 Y94 | K16-K29 WeakPolarHBondContact CA-O 3.45Å; K16-K29 HydrophobicContact CB-CG 4.47Å; K16-K29 WeakPolarHBondContact CB-O 3.45Å; K16-K29 PolarHBondContact N-O 3.19Å; K17-K29 HydrophobicContact CB-CB 4.31Å; K17-K29 PolarHBondContact N-O 3.02Å; K17-K29 VanDerWaalsContact N-O 3.16Å; K17-K29 PolarHBondContact O-N 3.29Å; I19-K29 HydrophobicContact CD1-CB 4.07Å; I19-K29 HydrophobicContact CG1-CB 4.14Å; K29-I38 HydrophobicContact CD-CG2 4.24Å; K29-I38 HydrophobicContact CG-CG2 3.92Å; K29-Y94 HydrophobicContact CB-CD2 4Å; K29-Y94 HydrophobicContact CB-CE2 3.7Å; K29-Y94 HydrophobicContact CD-CD2 4.08Å; K29-Y94 HydrophobicContact CD-CE1 4.34Å; K29-Y94 HydrophobicContact CD-CE2 3.47Å; K29-Y94 VanDerWaalsContact CD-CE2 3.47Å; K29-Y94 HydrophobicContact CG-CD2 3.66Å; K29-Y94 HydrophobicContact CG-CE2 3.49Å; K29-Y94 VanDerWaalsContact CG-CE2 3.49Å; K29-Y94 HydrophobicContact CG-CG 4.44Å |
| 30 | A | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F13 E14 I15 I38 I39 | F13-A30 HydrophobicContact CB-CB 4.18Å; E14-A30 CarbonylContact O-C 3.6Å; E14-A30 WeakPolarHBondContact O-CA 3.35Å; E14-A30 WeakPolarHBondContact O-CB 3.09Å; I15-A30 HydrophobicContact CD1-CB 3.87Å; A30-I38 WeakPolarHBondContact O-CA 3.43Å; A30-I39 HydrophobicContact CB-CD1 3.86Å; A30-I39 HydrophobicContact CB-CG1 4.45Å; A30-I39 PolarHBondContact N-O 3.06Å; A30-I39 PolarHBondContact O-N 3.44Å |
| 31 | L | 98 | Very high | 92.5 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127 | 170.2 | -178.9 | 74.3 | 0 | 0 | 0 | 108.4 | F13 E14 K33 K36 E37 I38 | F13-L31 CarbonylContact C-O 3.59Å; F13-L31 WeakPolarHBondContact CA-O 3.37Å; E14-L31 HydrophobicContact CB-CB 4.24Å; E14-L31 PolarHBondContact N-O 3.12Å; E14-L31 PolarHBondContact O-N 3.21Å; L31-K33 PolarHBondContact O-N 3.35Å; L31-K36 WeakPolarHBondContact CD1-O 3.43Å; L31-E37 WeakPolarHBondContact CA-O 3.22Å; L31-I38 HydrophobicContact CB-CD1 4.29Å; L31-I38 HydrophobicContact CD1-CD1 3.78Å; L31-I38 HydrophobicContact CD1-CG1 4.49Å |
| 32 | N | 97.3 | Very high | 93 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 116.8 | 170.2 | -178.8 | -21.6 | 0 | 0 | 0 | 108.9 | F13 K34 T35 K36 E37 I39 | F13-N32 HydrophobicContact CD1-CB 4.26Å; F13-N32 HydrophobicContact CE1-CB 4.14Å; N32-K34 PolarHBondContact O-N 3.28Å; N32-K34 PolarHBondContact OD1-N 3.09Å; N32-T35 WeakPolarHBondContact CB-OG1 3.23Å; N32-T35 PolarHBondContact ND2-OG1 2.87Å; N32-T35 PolarHBondContact OD1-N 2.74Å; N32-K36 VanDerWaalsContact O-CA 3.26Å; N32-K36 WeakPolarHBondContact O-CA 3.29Å; N32-K36 PolarHBondContact O-N 2.9Å; N32-E37 PolarHBondContact N-O 3.27Å; N32-I39 HydrophobicContact CB-CG2 4.46Å |
| 33 | K | 96.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | -174.3 | -70.2 | 176.6 | 168.8 | 178.1 | 0 | 112.9 | L10 K11 M12 F13 E14 L31 K36 | L10-K33 PolarHBondContact O-NZ 3.23Å; K11-K33 WeakPolarHBondContact O-CD 3.34Å; M12-K33 VanDerWaalsContact O-CB 3.32Å; M12-K33 WeakPolarHBondContact O-CB 3.44Å; M12-K33 PolarHBondContact O-N 3.34Å; F13-K33 WeakPolarHBondContact O-CE 3.46Å; E14-K33 HydrophobicContact CB-CG 4.35Å; L31-K33 PolarHBondContact O-N 3.35Å; K33-K36 PolarHBondContact O-NZ 3.14Å |
| 34 | K | 95.5 | Very high | 94.9 | Very high | 191 Ų | 191 | 49 Ų | 49 | 83% | 0.83 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -56.5 | 176.8 | -175.2 | -179.4 | 178 | -176.6 | 0 | 111.8 | N32 | N32-K34 PolarHBondContact O-N 3.28Å; N32-K34 PolarHBondContact OD1-N 3.09Å |
| 35 | T | 95.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -12.1 | -172 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | N32 E37 | N32-T35 WeakPolarHBondContact CB-OG1 3.23Å; N32-T35 PolarHBondContact ND2-OG1 2.87Å; N32-T35 PolarHBondContact OD1-N 2.74Å; T35-E37 WeakPolarHBondContact CB-OE2 3.39Å; T35-E37 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E37 PolarHBondContact O-N 3.22Å; T35-E37 WeakPolarHBondContact OG1-CG 3.35Å; T35-E37 PolarHBondContact OG1-N 2.65Å; T35-E37 PolarHBondContact OG1-OE2 3.37Å |
| 36 | K | 96.4 | Very high | 95.3 | Very high | 149 Ų | 149 | 49.8 Ų | 49.8 | 65% | 0.648 | 24% | 0.239 | S | C | * | . | trans | 62.2 | 11.6 | -171.6 | -44.9 | -53.8 | -176.4 | -168 | 0 | 114.6 | L31 N32 K33 | L31-K36 WeakPolarHBondContact CD1-O 3.43Å; N32-K36 VanDerWaalsContact O-CA 3.26Å; N32-K36 WeakPolarHBondContact O-CA 3.29Å; N32-K36 PolarHBondContact O-N 2.9Å; K33-K36 PolarHBondContact O-NZ 3.14Å | ||
| 37 | E | 96.6 | Very high | 95 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -76 | 150.7 | 174.9 | -62.9 | 162.9 | 130.9 | 0 | 0 | 111.8 | L31 N32 T35 I39 | L31-E37 WeakPolarHBondContact CA-O 3.22Å; N32-E37 PolarHBondContact N-O 3.27Å; T35-E37 WeakPolarHBondContact CB-OE2 3.39Å; T35-E37 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E37 PolarHBondContact O-N 3.22Å; T35-E37 WeakPolarHBondContact OG1-CG 3.35Å; T35-E37 PolarHBondContact OG1-N 2.65Å; T35-E37 PolarHBondContact OG1-OE2 3.37Å; E37-I39 HydrophobicContact CB-CG2 4.39Å | ||
| 38 | I | 97.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.2 | 171.6 | -66.2 | -65.1 | 0 | 0 | 0 | 109.1 | K29 A30 L31 Y94 | K29-I38 HydrophobicContact CD-CG2 4.24Å; K29-I38 HydrophobicContact CG-CG2 3.92Å; A30-I38 WeakPolarHBondContact O-CA 3.43Å; L31-I38 HydrophobicContact CB-CD1 4.29Å; L31-I38 HydrophobicContact CD1-CD1 3.78Å; L31-I38 HydrophobicContact CD1-CG1 4.49Å; I38-Y94 HydrophobicContact CG2-CD1 3.9Å; I38-Y94 HydrophobicContact CG2-CD2 4.29Å; I38-Y94 HydrophobicContact CG2-CG 3.72Å |
| 39 | I | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.2 | -174.7 | 66.4 | 76.7 | 0 | 0 | 0 | 111.7 | F13 A30 N32 E37 L41 Y77 V91 F92 | F13-I39 HydrophobicContact CD1-CD1 3.92Å; F13-I39 HydrophobicContact CD1-CG1 3.9Å; F13-I39 HydrophobicContact CE1-CD1 4.03Å; F13-I39 HydrophobicContact CE1-CG1 3.88Å; A30-I39 HydrophobicContact CB-CD1 3.86Å; A30-I39 HydrophobicContact CB-CG1 4.45Å; A30-I39 PolarHBondContact N-O 3.06Å; A30-I39 PolarHBondContact O-N 3.44Å; N32-I39 HydrophobicContact CB-CG2 4.46Å; E37-I39 HydrophobicContact CB-CG2 4.39Å; I39-L41 HydrophobicContact CD1-CB 3.83Å; I39-Y77 HydrophobicContact CG2-CD2 4.09Å; I39-Y77 HydrophobicContact CG2-CE2 3.96Å; I39-V91 HydrophobicContact CB-CG1 4.23Å; I39-V91 HydrophobicContact CD1-CG1 4Å; I39-V91 HydrophobicContact CG1-CG1 4.1Å; I39-F92 WeakPolarHBondContact CB-O 3.47Å |
| 40 | A | 97.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I19 V27 W28 F92 | I19-A40 HydrophobicContact CD1-CB 4.5Å; V27-A40 HydrophobicContact CG1-CB 4.29Å; W28-A40 WeakPolarHBondContact O-CA 3.49Å; A40-F92 HydrophobicContact CB-CB 4.25Å; A40-F92 PolarHBondContact N-O 3.19Å; A40-F92 PolarHBondContact O-N 3.12Å |
| 41 | L | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 109.4 | 178.3 | -178.8 | 70 | 0 | 0 | 0 | 109 | I9 I15 V27 W28 I39 Y89 V91 | I9-L41 HydrophobicContact CG2-CD1 4.32Å; I9-L41 HydrophobicContact CG2-CD2 3.74Å; I15-L41 HydrophobicContact CD1-CD2 3.78Å; V27-L41 CarbonylContact C-O 3.5Å; V27-L41 VanDerWaalsContact CA-O 3.28Å; V27-L41 WeakPolarHBondContact CA-O 3.08Å; W28-L41 HydrophobicContact CE3-CD2 4.26Å; W28-L41 HydrophobicContact CE3-CG 4.38Å; W28-L41 PolarHBondContact N-O 2.88Å; W28-L41 PolarHBondContact O-N 3.01Å; I39-L41 HydrophobicContact CD1-CB 3.83Å; L41-Y89 HydrophobicContact CD1-CD1 4.08Å; L41-Y89 HydrophobicContact CD2-CD1 4.39Å; L41-Y89 HydrophobicContact CG-CD1 4.27Å; L41-V91 HydrophobicContact CD1-CG2 4.06Å |
| 42 | K | 95.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111 | 174.9 | 168.2 | 175.7 | 161.6 | -171.8 | 0 | 109 | I26 V27 I44 E60 L90 F92 | I26-K42 CarbonylContact O-C 3.55Å; I26-K42 WeakPolarHBondContact O-CA 3.47Å; V27-K42 HydrophobicContact CG1-CB 4.46Å; V27-K42 HydrophobicContact CG2-CB 4.08Å; V27-K42 HydrophobicContact CG2-CG 4.25Å; K42-I44 HydrophobicContact CG-CG1 4.22Å; K42-E60 IonicContact NZ-OE1 3.57Å; K42-E60 PolarHBondContact NZ-OE1 3.05Å; K42-E60 IonicContact NZ-OE2 3.93Å; K42-E60 PolarHBondContact NZ-OE2 3.05Å; K42-L90 HydrophobicContact CB-CB 4.3Å; K42-L90 HydrophobicContact CD-CD1 4.3Å; K42-L90 PolarHBondContact N-O 2.9Å; K42-L90 PolarHBondContact O-N 3.47Å; K42-F92 HydrophobicContact CB-CD2 4.34Å; K42-F92 HydrophobicContact CB-CE2 4.17Å; K42-F92 HydrophobicContact CD-CE2 4.07Å |
| 43 | K | 94.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.5 | 165.3 | -179.7 | 178.4 | -172.8 | 165.9 | 0 | 108.6 | G25 I26 W28 F45 D87 Y89 | G25-K43 CarbonylContact C-O 3.51Å; G25-K43 WeakPolarHBondContact CA-O 3.45Å; I26-K43 PolarHBondContact N-O 3.29Å; I26-K43 PolarHBondContact O-N 2.91Å; W28-K43 HydrophobicContact CH2-CB 3.97Å; W28-K43 HydrophobicContact CH2-CD 4.38Å; W28-K43 HydrophobicContact CZ3-CB 3.59Å; K43-F45 HydrophobicContact CD-CD1 4.14Å; K43-F45 HydrophobicContact CD-CE1 3.77Å; K43-F45 HydrophobicContact CG-CD1 4.39Å; K43-F45 HydrophobicContact CG-CE1 4.33Å; K43-D87 VanDerWaalsContact CE-CB 3.47Å; K43-D87 WeakPolarHBondContact CE-OD2 3.36Å; K43-D87 IonicContact NZ-OD2 3.18Å; K43-D87 PolarHBondContact NZ-OD2 2.75Å; K43-Y89 HydrophobicContact CB-CD1 3.84Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CE1 3.69Å; K43-Y89 HydrophobicContact CD-CE2 4.42Å; K43-Y89 WeakPolarHBondContact CD-OH 3.4Å; K43-Y89 WeakPolarHBondContact CE-OH 3.47Å; K43-Y89 HydrophobicContact CG-CD1 4.17Å; K43-Y89 HydrophobicContact CG-CE1 3.78Å; K43-Y89 PolarHBondContact NZ-OH 2.79Å; K43-Y89 VanDerWaalsContact NZ-OH 3.17Å |
| 44 | I | 92 | Very high | 91.8 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.8 | 167 | -56.4 | 175.8 | 0 | 0 | 0 | 107.5 | Y24 K42 A47 T57 D87 I88 L90 | Y24-I44 CarbonylContact O-C 3.58Å; Y24-I44 VanDerWaalsContact O-CA 3.32Å; Y24-I44 WeakPolarHBondContact O-CA 3.2Å; Y24-I44 WeakPolarHBondContact O-CG2 3.23Å; K42-I44 HydrophobicContact CG-CG1 4.22Å; I44-A47 HydrophobicContact CB-CB 4.38Å; I44-A47 HydrophobicContact CG2-CB 3.78Å; I44-T57 HydrophobicContact CD1-CG2 3.86Å; I44-D87 WeakPolarHBondContact O-CA 3.38Å; I44-I88 HydrophobicContact CB-CG2 3.89Å; I44-I88 HydrophobicContact CD1-CG2 4.07Å; I44-I88 HydrophobicContact CG1-CG2 4.3Å; I44-I88 PolarHBondContact N-O 3.09Å; I44-I88 PolarHBondContact O-N 3.48Å; I44-L90 HydrophobicContact CD1-CD1 3.82Å; I44-L90 HydrophobicContact CD1-CG 4.35Å |
| 45 | F | 87.9 | Confident | 91.5 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -87.6 | 137 | 178.4 | -65.5 | -56.9 | 0 | 0 | 0 | 111.6 | Y24 I26 K43 A47 D87 | Y24-F45 PolarHBondContact O-N 3.43Å; I26-F45 HydrophobicContact CD1-CE2 3.99Å; I26-F45 HydrophobicContact CD1-CZ 3.59Å; I26-F45 HydrophobicContact CG1-CE2 3.71Å; I26-F45 HydrophobicContact CG1-CZ 3.73Å; K43-F45 HydrophobicContact CD-CD1 4.14Å; K43-F45 HydrophobicContact CD-CE1 3.77Å; K43-F45 HydrophobicContact CG-CD1 4.39Å; K43-F45 HydrophobicContact CG-CE1 4.33Å; F45-A47 PolarHBondContact O-N 3.13Å; F45-A47 VanDerWaalsContact O-N 3.09Å; F45-D87 VanDerWaalsContact CA-OD1 3.29Å; F45-D87 WeakPolarHBondContact CA-OD1 3.27Å |
| 46 | D | 87 | Confident | 91.2 | Very high | 78 Ų | 78 | 44 Ų | 44 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 39.9 | 50.9 | 177.9 | -60.9 | -57.4 | 0 | 0 | 0 | 111.6 | F48 R49 K86 D87 | D46-F48 PolarHBondContact O-N 3Å; D46-R49 HydrophobicContact CB-CB 3.92Å; D46-R49 WeakPolarHBondContact O-CB 3.34Å; D46-R49 PolarHBondContact O-N 3.38Å; D46-K86 CarbonylContact C-O 3.53Å; D46-K86 WeakPolarHBondContact CA-O 3.23Å; D46-D87 PolarHBondContact N-OD1 3.01Å |
| 47 | A | 85.7 | Confident | 91 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I44 F45 D53 A54 T57 K86 I88 | I44-A47 HydrophobicContact CB-CB 4.38Å; I44-A47 HydrophobicContact CG2-CB 3.78Å; F45-A47 PolarHBondContact O-N 3.13Å; F45-A47 VanDerWaalsContact O-N 3.09Å; A47-D53 CarbonylContact O-C 3.55Å; A47-A54 VanDerWaalsContact O-CA 3.3Å; A47-A54 WeakPolarHBondContact O-CA 3.48Å; A47-A54 PolarHBondContact O-N 3.12Å; A47-T57 HydrophobicContact CB-CG2 4.22Å; A47-K86 PolarHBondContact N-O 2.95Å; A47-I88 HydrophobicContact CB-CG2 3.84Å |
| 48 | F | 88.1 | Confident | 90.8 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 10% | 0.101 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 21.2 | 178.1 | -51.3 | -64.8 | 0 | 0 | 0 | 112.7 | D46 N50 A54 D85 V341 R345 L348 Y349 | D46-F48 PolarHBondContact O-N 3Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.49Å; F48-A54 HydrophobicContact CD1-CB 4.28Å; F48-D85 WeakPolarHBondContact CD2-O 3.2Å; F48-V341 HydrophobicContact CB-CG1 3.74Å; F48-V341 WeakPolarHBondContact O-CG1 3.47Å; F48-R345 HydrophobicContact CD1-CB 3.62Å; F48-R345 HydrophobicContact CD1-CG 4.14Å; F48-R345 HydrophobicContact CD2-CG 4.16Å; F48-R345 VanDerWaalsContact CE1-CA 3.47Å; F48-R345 HydrophobicContact CE1-CB 3.65Å; F48-R345 HydrophobicContact CE1-CG 4.01Å; F48-R345 HydrophobicContact CE2-CG 4.04Å; F48-R345 HydrophobicContact CG-CB 4.08Å; F48-R345 HydrophobicContact CG-CG 4.21Å; F48-R345 HydrophobicContact CZ-CB 4.12Å; F48-R345 HydrophobicContact CZ-CG 3.95Å; F48-L348 HydrophobicContact CE1-CD2 4.38Å; F48-L348 HydrophobicContact CZ-CD2 4.11Å; F48-Y349 HydrophobicContact CE2-CE1 4.28Å; F48-Y349 WeakPolarHBondContact CE2-OH 3.43Å; F48-Y349 HydrophobicContact CZ-CE1 4.16Å |
| 49 | R | 86.1 | Confident | 90.5 | Very high | 149 Ų | 149 | 30.3 Ų | 30.3 | 56% | 0.562 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -63.5 | -35.3 | 179.3 | -176.2 | 172.4 | 169.5 | -156.8 | -6.5 | 113.5 | D46 S949 | D46-R49 HydrophobicContact CB-CB 3.92Å; D46-R49 WeakPolarHBondContact O-CB 3.34Å; D46-R49 PolarHBondContact O-N 3.38Å; R49-S949 PolarHBondContact NH2-OG 3.06Å |
| 50 | N | 86.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -155.4 | 161.6 | -177.8 | 68.8 | 80.5 | 0 | 0 | 0 | 110.8 | F48 T52 D53 A54 | F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.49Å; N50-T52 VanDerWaalsContact C-N 3.26Å; N50-T52 PolarHBondContact O-N 3.13Å; N50-T52 WeakPolarHBondContact OD1-CA 3.39Å; N50-T52 WeakPolarHBondContact OD1-CB 3.45Å; N50-T52 PolarHBondContact OD1-N 2.8Å; N50-D53 PolarHBondContact ND2-OD2 3.41Å; N50-D53 PolarHBondContact O-N 2.83Å; N50-D53 PolarHBondContact OD1-N 3.29Å; N50-A54 VanDerWaalsContact O-CB 3.27Å; N50-A54 WeakPolarHBondContact O-CB 3.46Å; N50-A54 PolarHBondContact O-N 3.29Å |
| 51 | Q | 87.4 | Confident | 90.1 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 33% | 0.327 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.8 | -31 | -175.6 | -60.4 | 173.3 | -78.3 | 0 | 0 | 113.5 | Q55 Q338 L339 V341 | Q51-Q55 VanDerWaalsContact O-CB 3.24Å; Q51-Q55 WeakPolarHBondContact O-CB 3.45Å; Q51-Q55 PolarHBondContact O-N 3.44Å; Q51-Q338 HydrophobicContact CB-CG 3.67Å; Q51-Q338 HydrophobicContact CG-CG 4.42Å; Q51-L339 WeakPolarHBondContact CG-O 3.38Å; Q51-L339 PolarHBondContact NE2-O 2.76Å; Q51-V341 HydrophobicContact CG-CG2 4.09Å |
| 52 | T | 86 | Confident | 89.9 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 16% | 0.16 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.8 | -45.2 | -177.6 | -55 | 0 | 0 | 0 | 0 | 111.7 | N50 Q55 R56 Q338 | N50-T52 VanDerWaalsContact C-N 3.26Å; N50-T52 PolarHBondContact O-N 3.13Å; N50-T52 WeakPolarHBondContact OD1-CA 3.39Å; N50-T52 WeakPolarHBondContact OD1-CB 3.45Å; N50-T52 PolarHBondContact OD1-N 2.8Å; T52-Q55 PolarHBondContact O-N 2.89Å; T52-R56 WeakPolarHBondContact O-CB 3.48Å; T52-R56 VanDerWaalsContact O-CG 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 3.22Å; T52-Q338 PolarHBondContact OG1-NE2 3.45Å; T52-Q338 VanDerWaalsContact OG1-NE2 3.13Å |
| 53 | D | 86.1 | Confident | 89.9 | Confident | 31 Ų | 31 | 28.3 Ų | 28.3 | 17% | 0.166 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -76.3 | -29.7 | 178.8 | -62.5 | -37 | 0 | 0 | 0 | 111.9 | A47 N50 R56 T57 | A47-D53 CarbonylContact O-C 3.55Å; N50-D53 PolarHBondContact ND2-OD2 3.41Å; N50-D53 PolarHBondContact O-N 2.83Å; N50-D53 PolarHBondContact OD1-N 3.29Å; D53-R56 PolarHBondContact O-N 2.97Å; D53-R56 IonicContact OD1-CZ 3.38Å; D53-R56 IonicContact OD1-NH1 3.53Å; D53-R56 PolarHBondContact OD1-NH1 3.34Å; D53-T57 WeakPolarHBondContact O-CB 3.48Å; D53-T57 PolarHBondContact O-N 3.09Å; D53-T57 PolarHBondContact O-OG1 3.47Å |
| 54 | A | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A47 F48 N50 R56 T57 F58 Y344 | A47-A54 VanDerWaalsContact O-CA 3.3Å; A47-A54 WeakPolarHBondContact O-CA 3.48Å; A47-A54 PolarHBondContact O-N 3.12Å; F48-A54 HydrophobicContact CD1-CB 4.28Å; N50-A54 VanDerWaalsContact O-CB 3.27Å; N50-A54 WeakPolarHBondContact O-CB 3.46Å; N50-A54 PolarHBondContact O-N 3.29Å; A54-R56 PolarHBondContact O-N 3.04Å; A54-T57 PolarHBondContact O-N 3.08Å; A54-F58 WeakPolarHBondContact O-CB 3.49Å; A54-F58 PolarHBondContact O-N 3.49Å; A54-Y344 HydrophobicContact CB-CD2 3.9Å; A54-Y344 HydrophobicContact CB-CG 4.24Å |
| 55 | Q | 89.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.6 | -168.2 | -160.2 | 69.6 | 0 | 0 | 111.6 | Q51 T52 R59 I337 Y344 | Q51-Q55 VanDerWaalsContact O-CB 3.24Å; Q51-Q55 WeakPolarHBondContact O-CB 3.45Å; Q51-Q55 PolarHBondContact O-N 3.44Å; T52-Q55 PolarHBondContact O-N 2.89Å; Q55-R59 VanDerWaalsContact CD-NH1 3.29Å; Q55-R59 WeakPolarHBondContact O-CB 3.5Å; Q55-R59 PolarHBondContact O-N 3.06Å; Q55-I337 PolarHBondContact NE2-O 3.11Å; Q55-I337 VanDerWaalsContact NE2-O 3.15Å; Q55-Y344 HydrophobicContact CB-CD2 4.36Å; Q55-Y344 HydrophobicContact CB-CE1 4.09Å; Q55-Y344 HydrophobicContact CB-CE2 3.74Å; Q55-Y344 HydrophobicContact CG-CE1 3.9Å; Q55-Y344 HydrophobicContact CG-CE2 4.26Å; Q55-Y344 WeakPolarHBondContact CG-OH 3.12Å; Q55-Y344 PolarHBondContact NE2-OH 3.31Å |
| 56 | R | 89 | Confident | 90 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.6 | -77.3 | 167.1 | 171.3 | 172.4 | -5.4 | 112 | Y24 T52 D53 A54 R59 E60 Y187 | Y24-R56 PolarHBondContact OH-NH1 2.59Å; T52-R56 WeakPolarHBondContact O-CB 3.48Å; T52-R56 VanDerWaalsContact O-CG 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 3.22Å; D53-R56 PolarHBondContact O-N 2.97Å; D53-R56 IonicContact OD1-CZ 3.38Å; D53-R56 IonicContact OD1-NH1 3.53Å; D53-R56 PolarHBondContact OD1-NH1 3.34Å; A54-R56 PolarHBondContact O-N 3.04Å; R56-R59 PolarHBondContact O-N 2.92Å; R56-E60 WeakPolarHBondContact O-CB 3.49Å; R56-E60 PolarHBondContact O-N 3.35Å; R56-Y187 VanDerWaalsContact NH2-CE1 3.34Å; R56-Y187 VanDerWaalsContact NH2-CE2 3.25Å |
| 57 | T | 91.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | I44 A47 D53 A54 R59 E60 I61 I88 | I44-T57 HydrophobicContact CD1-CG2 3.86Å; A47-T57 HydrophobicContact CB-CG2 4.22Å; D53-T57 WeakPolarHBondContact O-CB 3.48Å; D53-T57 PolarHBondContact O-N 3.09Å; D53-T57 PolarHBondContact O-OG1 3.47Å; A54-T57 PolarHBondContact O-N 3.08Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 3.29Å; T57-E60 PolarHBondContact O-N 3.19Å; T57-I61 HydrophobicContact CG2-CD1 3.93Å; T57-I61 WeakPolarHBondContact O-CD1 3.27Å; T57-I61 VanDerWaalsContact O-CG1 3.32Å; T57-I61 WeakPolarHBondContact O-CG1 3.33Å; T57-I61 PolarHBondContact O-N 3.17Å; T57-I88 HydrophobicContact CG2-CG2 3.97Å |
| 58 | F | 92.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.4 | -48.9 | 175.3 | -176.3 | -86.4 | 0 | 0 | 0 | 111.3 | A54 I61 A62 P332 L333 Y344 R347 L348 M351 | A54-F58 WeakPolarHBondContact O-CB 3.49Å; A54-F58 PolarHBondContact O-N 3.49Å; F58-I61 PolarHBondContact O-N 2.85Å; F58-A62 HydrophobicContact CD1-CB 4.48Å; F58-A62 HydrophobicContact CE1-CB 4.24Å; F58-A62 WeakPolarHBondContact O-CB 3.4Å; F58-A62 PolarHBondContact O-N 3.31Å; F58-P332 HydrophobicContact CE1-CG 4.19Å; F58-P332 HydrophobicContact CZ-CG 3.99Å; F58-L333 HydrophobicContact CD1-CD1 4.09Å; F58-L333 HydrophobicContact CD2-CD1 4.18Å; F58-L333 HydrophobicContact CE1-CB 4Å; F58-L333 HydrophobicContact CE1-CD1 3.56Å; F58-L333 HydrophobicContact CE1-CG 3.76Å; F58-L333 HydrophobicContact CE2-CD1 3.66Å; F58-L333 HydrophobicContact CE2-CG 4.44Å; F58-L333 HydrophobicContact CG-CD1 4.39Å; F58-L333 HydrophobicContact CZ-CB 4.4Å; F58-L333 HydrophobicContact CZ-CD1 3.32Å; F58-L333 HydrophobicContact CZ-CG 3.65Å; F58-Y344 HydrophobicContact CB-CD1 4Å; F58-Y344 HydrophobicContact CD1-CD1 4.45Å; F58-Y344 HydrophobicContact CD2-CD1 4.38Å; F58-Y344 HydrophobicContact CG-CD1 4.02Å; F58-R347 HydrophobicContact CE2-CB 3.84Å; F58-R347 HydrophobicContact CZ-CB 4.48Å; F58-L348 HydrophobicContact CD2-CB 4.03Å; F58-L348 HydrophobicContact CD2-CD1 4.4Å; F58-L348 HydrophobicContact CE2-CB 4.39Å; F58-M351 HydrophobicContact CE2-SD 3.63Å; F58-M351 HydrophobicContact CZ-SD 3.55Å; F58-M351 VanDerWaalsContact CZ-SD 3.55Å |
| 59 | R | 91.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | -179.5 | 173 | 172.3 | 53.8 | -109.2 | -8 | 113.4 | Q55 R56 T57 I61 A62 F63 G157 A159 R160 D335 | Q55-R59 VanDerWaalsContact CD-NH1 3.29Å; Q55-R59 WeakPolarHBondContact O-CB 3.5Å; Q55-R59 PolarHBondContact O-N 3.06Å; R56-R59 PolarHBondContact O-N 2.92Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 3.29Å; R59-I61 PolarHBondContact O-N 2.82Å; R59-A62 PolarHBondContact O-N 3.35Å; R59-F63 HydrophobicContact CG-CD2 3.49Å; R59-F63 VanDerWaalsContact CG-CD2 3.49Å; R59-F63 HydrophobicContact CG-CE2 3.61Å; R59-F63 WeakPolarHBondContact O-CD2 3.38Å; R59-F63 PolarHBondContact O-N 2.96Å; R59-G157 VanDerWaalsContact CZ-O 3.25Å; R59-G157 PolarHBondContact NE-O 3.46Å; R59-G157 PolarHBondContact NH2-O 3.33Å; R59-A159 VanDerWaalsContact CD-O 3.3Å; R59-A159 WeakPolarHBondContact CD-O 3.48Å; R59-R160 VanDerWaalsContact NH1-NH1 3.14Å; R59-R160 VanDerWaalsContact NH1-NH2 3.15Å; R59-D335 WeakPolarHBondContact CD-OD1 3.38Å; R59-D335 WeakPolarHBondContact CD-OD2 3.29Å; R59-D335 IonicContact CZ-OD1 2.96Å; R59-D335 IonicContact NE-OD1 2.68Å; R59-D335 IonicContact NH1-OD1 3.14Å; R59-D335 PolarHBondContact NH1-OD1 3.35Å |
| 60 | E | 93.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.7 | -47.9 | 177.1 | -169 | -168.1 | 156.5 | 0 | 0 | 109.3 | K42 R56 T57 L64 | K42-E60 IonicContact NZ-OE1 3.57Å; K42-E60 PolarHBondContact NZ-OE1 3.05Å; K42-E60 IonicContact NZ-OE2 3.93Å; K42-E60 PolarHBondContact NZ-OE2 3.05Å; R56-E60 WeakPolarHBondContact O-CB 3.49Å; R56-E60 PolarHBondContact O-N 3.35Å; T57-E60 PolarHBondContact O-N 3.19Å; E60-L64 HydrophobicContact CG-CD1 3.9Å; E60-L64 VanDerWaalsContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CB 3.46Å; E60-L64 VanDerWaalsContact O-CD1 3.31Å; E60-L64 WeakPolarHBondContact O-CD1 3.31Å; E60-L64 WeakPolarHBondContact O-CG 3.12Å; E60-L64 PolarHBondContact O-N 3.42Å; E60-L64 VanDerWaalsContact O-N 3.11Å |
| 61 | I | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.9 | -45.1 | -179.9 | -63.3 | 163.5 | 0 | 0 | 0 | 111.6 | T57 F58 R59 F63 L64 Q65 L76 V79 I88 L90 L348 | T57-I61 HydrophobicContact CG2-CD1 3.93Å; T57-I61 WeakPolarHBondContact O-CD1 3.27Å; T57-I61 VanDerWaalsContact O-CG1 3.32Å; T57-I61 WeakPolarHBondContact O-CG1 3.33Å; T57-I61 PolarHBondContact O-N 3.17Å; F58-I61 PolarHBondContact O-N 2.85Å; R59-I61 PolarHBondContact O-N 2.82Å; I61-F63 PolarHBondContact O-N 3.4Å; I61-L64 PolarHBondContact O-N 3.17Å; I61-Q65 HydrophobicContact CG2-CG 4.25Å; I61-Q65 VanDerWaalsContact O-CB 3.32Å; I61-Q65 WeakPolarHBondContact O-CB 2.9Å; I61-Q65 WeakPolarHBondContact O-CG 3.27Å; I61-Q65 PolarHBondContact O-N 3.27Å; I61-L76 HydrophobicContact CG2-CD2 4.17Å; I61-V79 HydrophobicContact CD1-CG1 4.1Å; I61-V79 HydrophobicContact CG2-CG2 3.93Å; I61-I88 HydrophobicContact CD1-CD1 4.08Å; I61-L90 HydrophobicContact CD1-CD2 3.77Å; I61-L90 HydrophobicContact CG1-CD1 4.44Å; I61-L90 HydrophobicContact CG1-CD2 3.91Å; I61-L348 HydrophobicContact CB-CD1 4.2Å; I61-L348 HydrophobicContact CD1-CD1 3.78Å; I61-L348 HydrophobicContact CD1-CD2 3.72Å; I61-L348 HydrophobicContact CD1-CG 4.35Å; I61-L348 HydrophobicContact CG2-CD1 3.87Å |
| 62 | A | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F58 R59 Q65 N66 P331 M351 | F58-A62 HydrophobicContact CD1-CB 4.48Å; F58-A62 HydrophobicContact CE1-CB 4.24Å; F58-A62 WeakPolarHBondContact O-CB 3.4Å; F58-A62 PolarHBondContact O-N 3.31Å; R59-A62 PolarHBondContact O-N 3.35Å; A62-Q65 PolarHBondContact O-N 3.46Å; A62-N66 PolarHBondContact O-ND2 2.95Å; A62-P331 HydrophobicContact CB-CB 4.41Å; A62-M351 HydrophobicContact CB-CE 4.37Å |
| 63 | F | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -50.2 | 176.8 | -86.1 | -57.2 | 0 | 0 | 0 | 112.1 | R59 I61 Q65 N66 F67 V133 F156 A159 V329 P331 | R59-F63 HydrophobicContact CG-CD2 3.49Å; R59-F63 VanDerWaalsContact CG-CD2 3.49Å; R59-F63 HydrophobicContact CG-CE2 3.61Å; R59-F63 WeakPolarHBondContact O-CD2 3.38Å; R59-F63 PolarHBondContact O-N 2.96Å; I61-F63 PolarHBondContact O-N 3.4Å; F63-Q65 PolarHBondContact O-N 3.42Å; F63-Q65 VanDerWaalsContact O-N 3.13Å; F63-N66 PolarHBondContact O-N 3.48Å; F63-F67 HydrophobicContact CB-CE1 4.36Å; F63-F67 HydrophobicContact CB-CE2 3.71Å; F63-F67 HydrophobicContact CB-CZ 3.55Å; F63-F67 AromaticContact CD1-CE1 3.95Å; F63-F67 HydrophobicContact CD1-CE1 3.95Å; F63-F67 AromaticContact CD1-CZ 3.66Å; F63-F67 HydrophobicContact CD1-CZ 3.66Å; F63-F67 AromaticContact CG-CZ 3.9Å; F63-F67 HydrophobicContact CG-CZ 3.9Å; F63-F67 WeakPolarHBondContact O-CD2 3.43Å; F63-F67 WeakPolarHBondContact O-CG 3.2Å; F63-F67 PolarHBondContact O-N 2.98Å; F63-V133 HydrophobicContact CD1-CG1 4.1Å; F63-V133 HydrophobicContact CD1-CG2 4.15Å; F63-V133 HydrophobicContact CE1-CB 4.43Å; F63-V133 HydrophobicContact CE1-CG1 3.82Å; F63-V133 HydrophobicContact CE1-CG2 3.66Å; F63-V133 HydrophobicContact CZ-CG1 4.27Å; F63-F156 HydrophobicContact CB-CB 4.34Å; F63-A159 HydrophobicContact CD2-CB 3.83Å; F63-A159 HydrophobicContact CE2-CB 3.88Å; F63-A159 HydrophobicContact CG-CB 4.48Å; F63-V329 HydrophobicContact CD1-CG1 3.73Å; F63-V329 HydrophobicContact CE1-CG1 3.88Å; F63-P331 HydrophobicContact CD2-CG 4.37Å; F63-P331 HydrophobicContact CE1-CG 4.04Å; F63-P331 HydrophobicContact CE2-CG 3.7Å; F63-P331 HydrophobicContact CZ-CG 3.5Å; F63-P331 VanDerWaalsContact CZ-CG 3.5Å |
| 64 | L | 94.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -28.5 | 177.5 | -75.9 | 168.2 | 0 | 0 | 0 | 113.5 | E60 I61 N66 V74 L76 F92 F156 | E60-L64 HydrophobicContact CG-CD1 3.9Å; E60-L64 VanDerWaalsContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CB 3.46Å; E60-L64 VanDerWaalsContact O-CD1 3.31Å; E60-L64 WeakPolarHBondContact O-CD1 3.31Å; E60-L64 WeakPolarHBondContact O-CG 3.12Å; E60-L64 PolarHBondContact O-N 3.42Å; E60-L64 VanDerWaalsContact O-N 3.11Å; I61-L64 PolarHBondContact O-N 3.17Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-V74 HydrophobicContact CD2-CG1 4.07Å; L64-V74 WeakPolarHBondContact CD2-O 3.4Å; L64-L76 HydrophobicContact CB-CB 4.01Å; L64-L76 HydrophobicContact CB-CD2 3.88Å; L64-L76 HydrophobicContact CD1-CB 4.28Å; L64-L76 HydrophobicContact CD1-CD2 4.11Å; L64-F92 HydrophobicContact CD1-CE1 3.63Å; L64-F92 HydrophobicContact CD1-CZ 3.86Å; L64-F92 HydrophobicContact CD2-CE1 4.48Å; L64-F156 HydrophobicContact CD2-CD2 3.59Å; L64-F156 HydrophobicContact CD2-CE2 3.79Å; L64-F156 HydrophobicContact CG-CD2 3.99Å |
| 65 | Q | 91.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 27 Ų | 27 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.1 | 176.8 | -76.4 | -174.1 | 17.5 | 0 | 0 | 114.6 | I61 A62 F63 L76 K355 | I61-Q65 HydrophobicContact CG2-CG 4.25Å; I61-Q65 VanDerWaalsContact O-CB 3.32Å; I61-Q65 WeakPolarHBondContact O-CB 2.9Å; I61-Q65 WeakPolarHBondContact O-CG 3.27Å; I61-Q65 PolarHBondContact O-N 3.27Å; A62-Q65 PolarHBondContact O-N 3.46Å; F63-Q65 PolarHBondContact O-N 3.42Å; F63-Q65 VanDerWaalsContact O-N 3.13Å; Q65-L76 HydrophobicContact CG-CD2 4.36Å; Q65-K355 VanDerWaalsContact OE1-NZ 3.15Å |
| 66 | N | 90.8 | Very high | 93.4 | Very high | 70 Ų | 70 | 27.3 Ų | 27.3 | 37% | 0.374 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -27.6 | 177.5 | -78.9 | -87.4 | 0 | 0 | 0 | 112.9 | A62 F63 L64 G68 V329 | A62-N66 PolarHBondContact O-ND2 2.95Å; F63-N66 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.35Å; N66-G68 PolarHBondContact O-N 3.24Å; N66-V329 HydrophobicContact CB-CG1 3.56Å; N66-V329 HydrophobicContact CB-CG2 4.16Å |
| 67 | F | 92.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.4 | 11 | -177.5 | -54 | -33 | 0 | 0 | 0 | 116.1 | F63 N69 I73 Y127 L128 V133 F156 M325 V329 | F63-F67 HydrophobicContact CB-CE1 4.36Å; F63-F67 HydrophobicContact CB-CE2 3.71Å; F63-F67 HydrophobicContact CB-CZ 3.55Å; F63-F67 AromaticContact CD1-CE1 3.95Å; F63-F67 HydrophobicContact CD1-CE1 3.95Å; F63-F67 AromaticContact CD1-CZ 3.66Å; F63-F67 HydrophobicContact CD1-CZ 3.66Å; F63-F67 AromaticContact CG-CZ 3.9Å; F63-F67 HydrophobicContact CG-CZ 3.9Å; F63-F67 WeakPolarHBondContact O-CD2 3.43Å; F63-F67 WeakPolarHBondContact O-CG 3.2Å; F63-F67 PolarHBondContact O-N 2.98Å; F67-N69 PolarHBondContact O-N 2.98Å; F67-I73 HydrophobicContact CB-CD1 4.39Å; F67-I73 HydrophobicContact CD2-CD1 4.44Å; F67-I73 HydrophobicContact CD2-CG2 4.17Å; F67-I73 HydrophobicContact CG-CD1 4.45Å; F67-Y127 HydrophobicContact CB-CE1 4.31Å; F67-Y127 PolarHBondContact O-OH 3.48Å; F67-L128 HydrophobicContact CD1-CD2 4.02Å; F67-L128 HydrophobicContact CD2-CD2 4.22Å; F67-L128 HydrophobicContact CE1-CD2 3.54Å; F67-L128 HydrophobicContact CE2-CD2 3.78Å; F67-L128 HydrophobicContact CG-CD2 4.33Å; F67-L128 HydrophobicContact CZ-CD2 3.4Å; F67-V133 HydrophobicContact CE1-CG1 4.43Å; F67-V133 HydrophobicContact CE1-CG2 4.23Å; F67-V133 HydrophobicContact CZ-CG1 4.14Å; F67-F156 HydrophobicContact CD2-CE1 4.22Å; F67-F156 HydrophobicContact CD2-CE2 4.38Å; F67-F156 HydrophobicContact CD2-CZ 4.15Å; F67-F156 AromaticContact CE2-CD1 3.46Å; F67-F156 HydrophobicContact CE2-CD1 3.46Å; F67-F156 VanDerWaalsContact CE2-CD1 3.46Å; F67-F156 HydrophobicContact CE2-CD2 4.13Å; F67-F156 AromaticContact CE2-CE1 3.43Å; F67-F156 HydrophobicContact CE2-CE1 3.43Å; F67-F156 VanDerWaalsContact CE2-CE1 3.43Å; F67-F156 HydrophobicContact CE2-CE2 4.13Å; F67-F156 AromaticContact CE2-CG 3.81Å; F67-F156 HydrophobicContact CE2-CG 3.81Å; F67-F156 AromaticContact CE2-CZ 3.79Å; F67-F156 HydrophobicContact CE2-CZ 3.79Å; F67-F156 AromaticContact CZ-CD1 3.98Å; F67-F156 HydrophobicContact CZ-CD1 3.98Å; F67-F156 HydrophobicContact CZ-CE1 4.04Å; F67-M325 HydrophobicContact CD1-CE 3.58Å; F67-M325 HydrophobicContact CE1-CE 4.11Å; F67-M325 HydrophobicContact CG-CE 4.47Å; F67-V329 HydrophobicContact CE1-CG1 4.34Å |
| 68 | G | 86.5 | Confident | 93.8 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -122.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N66 | N66-G68 PolarHBondContact O-N 3.24Š|
| 69 | N | 90.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 33.4 Ų | 33.4 | 53% | 0.529 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 53.1 | -178.9 | -174.1 | 73.5 | 0 | 0 | 0 | 110.9 | F67 R75 | F67-N69 PolarHBondContact O-N 2.98Å; N69-R75 WeakPolarHBondContact OD1-CD 3.41Å; N69-R75 PolarHBondContact OD1-NH1 3.15Å |
| 70 | H | 96 | Very high | 94 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | trans | -68.9 | 130.4 | 174.1 | -175.1 | -91.4 | 0 | 0 | 0 | 111.1 | N72 I73 Y127 | H70-N72 VanDerWaalsContact C-N 3.3Å; H70-N72 PolarHBondContact ND1-N 2.92Å; H70-N72 PolarHBondContact O-N 3.29Å; H70-I73 HydrophobicContact CB-CB 4.25Å; H70-I73 HydrophobicContact CB-CD1 4.18Å; H70-I73 HydrophobicContact CB-CG1 4.35Å; H70-I73 PolarHBondContact O-N 3.44Å; H70-Y127 HydrophobicContact CB-CD1 3.67Å; H70-Y127 HydrophobicContact CB-CE1 3.52Å; H70-Y127 HydrophobicContact CB-CG 4.5Å; H70-Y127 AromaticContact CD2-CD1 3.44Å; H70-Y127 VanDerWaalsContact CD2-CD1 3.44Å; H70-Y127 WeakPolarHBondContact CD2-CD1 3.27Å; H70-Y127 AromaticContact CD2-CD2 4Å; H70-Y127 AromaticContact CD2-CG 3.43Å; H70-Y127 VanDerWaalsContact CD2-CG 3.43Å; H70-Y127 AromaticContact CG-CD1 3.49Å; H70-Y127 VanDerWaalsContact CG-CD1 3.49Å; H70-Y127 AromaticContact CG-CE1 3.9Å; H70-Y127 AromaticContact CG-CG 3.99Å; H70-Y127 AromaticContact NE2-CG 4Å | ||
| 71 | P | 96.5 | Very high | 94 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.5 | -172.4 | 21.4 | -33.3 | 0 | 0 | 0 | 113 | K152 M323 | P71-K152 WeakPolarHBondContact O-CE 3.39Å; P71-K152 PolarHBondContact O-NZ 2.94Å; P71-M323 VanDerWaalsContact CD-SD 3.54Å |
| 72 | N | 98.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 18.1 | -175.4 | -54.3 | 115 | 0 | 0 | 0 | 115.3 | H70 Q120 A124 V151 K152 L153 | H70-N72 VanDerWaalsContact C-N 3.3Å; H70-N72 PolarHBondContact ND1-N 2.92Å; H70-N72 PolarHBondContact O-N 3.29Å; N72-Q120 HydrophobicContact CB-CB 4.45Å; N72-Q120 PolarHBondContact ND2-OE1 3.33Å; N72-A124 HydrophobicContact CB-CB 3.99Å; N72-A124 WeakPolarHBondContact O-CB 3.3Å; N72-V151 VanDerWaalsContact CA-O 3.25Å; N72-V151 WeakPolarHBondContact CA-O 3.49Å; N72-V151 WeakPolarHBondContact CB-O 3.37Å; N72-V151 PolarHBondContact ND2-O 3.48Å; N72-K152 WeakPolarHBondContact O-CA 3.36Å; N72-L153 PolarHBondContact O-N 3.5Å |
| 73 | I | 97.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -114.7 | 147.9 | 167.4 | -68.2 | 175.3 | 0 | 0 | 0 | 108.2 | F67 H70 R75 A124 Y127 L128 K152 F156 | F67-I73 HydrophobicContact CB-CD1 4.39Å; F67-I73 HydrophobicContact CD2-CD1 4.44Å; F67-I73 HydrophobicContact CD2-CG2 4.17Å; F67-I73 HydrophobicContact CG-CD1 4.45Å; H70-I73 HydrophobicContact CB-CB 4.25Å; H70-I73 HydrophobicContact CB-CD1 4.18Å; H70-I73 HydrophobicContact CB-CG1 4.35Å; H70-I73 PolarHBondContact O-N 3.44Å; I73-R75 PolarHBondContact O-N 3.37Å; I73-A124 HydrophobicContact CG1-CB 4.21Å; I73-Y127 HydrophobicContact CD1-CD1 3.74Å; I73-Y127 HydrophobicContact CD1-CE1 4.19Å; I73-L128 HydrophobicContact CD1-CD1 4.39Å; I73-L128 HydrophobicContact CD1-CD2 3.89Å; I73-L128 HydrophobicContact CD1-CG 3.95Å; I73-K152 PolarHBondContact O-NZ 3.49Å; I73-F156 HydrophobicContact CD1-CZ 4.47Å; I73-F156 HydrophobicContact CG1-CZ 4.41Å; I73-F156 HydrophobicContact CG2-CE2 3.83Å; I73-F156 HydrophobicContact CG2-CZ 3.8Å |
| 74 | V | 96.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | trans | -71.8 | 125.3 | 175.8 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | L64 F92 E93 L144 K152 L153 C154 | L64-V74 HydrophobicContact CD2-CG1 4.07Å; L64-V74 WeakPolarHBondContact CD2-O 3.4Å; V74-F92 HydrophobicContact CG1-CD1 4.03Å; V74-F92 HydrophobicContact CG1-CE1 3.94Å; V74-F92 HydrophobicContact CG2-CB 4.32Å; V74-F92 HydrophobicContact CG2-CD1 3.83Å; V74-F92 HydrophobicContact CG2-CG 4.44Å; V74-E93 HydrophobicContact CG2-CG 4.02Å; V74-L144 HydrophobicContact CG2-CD1 4.15Å; V74-K152 HydrophobicContact CB-CB 4.45Å; V74-L153 PolarHBondContact N-O 3.05Å; V74-C154 HydrophobicContact CB-CB 4.08Å; V74-C154 HydrophobicContact CG1-CB 3.54Å | ||
| 75 | R | 95.8 | Very high | 92.5 | Very high | 113 Ų | 113 | 47.8 Ų | 47.8 | 43% | 0.426 | 26% | 0.258 | S | S | . | . | trans | -84.4 | 123.3 | 179.7 | -176.5 | 164.8 | 170.3 | -168.3 | -6.9 | 111.1 | N69 I73 Y77 F92 E93 | N69-R75 WeakPolarHBondContact OD1-CD 3.41Å; N69-R75 PolarHBondContact OD1-NH1 3.15Å; I73-R75 PolarHBondContact O-N 3.37Å; R75-Y77 HydrophobicContact CB-CE1 4.42Å; R75-Y77 HydrophobicContact CG-CD1 3.91Å; R75-Y77 HydrophobicContact CG-CE1 3.99Å; R75-Y77 PolarHBondContact O-N 2.93Å; R75-F92 WeakPolarHBondContact O-CA 3.46Å; R75-E93 VanDerWaalsContact CB-OE1 3.32Å; R75-E93 WeakPolarHBondContact CB-OE1 3.43Å; R75-E93 PolarHBondContact N-OE1 3.26Å; R75-E93 PolarHBondContact O-N 3.12Å | ||
| 76 | L | 95.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 103.6 | 169.8 | -179.7 | 62.3 | 0 | 0 | 0 | 109.1 | I61 L64 Q65 N78 V79 L90 F92 | I61-L76 HydrophobicContact CG2-CD2 4.17Å; L64-L76 HydrophobicContact CB-CB 4.01Å; L64-L76 HydrophobicContact CB-CD2 3.88Å; L64-L76 HydrophobicContact CD1-CB 4.28Å; L64-L76 HydrophobicContact CD1-CD2 4.11Å; Q65-L76 HydrophobicContact CG-CD2 4.36Å; L76-N78 WeakPolarHBondContact CD1-O 3.36Å; L76-V79 HydrophobicContact CD1-CG2 4.16Å; L76-V79 HydrophobicContact CD2-CG2 3.74Å; L76-V79 HydrophobicContact CG-CG2 4.12Å; L76-L90 HydrophobicContact CD1-CB 4.02Å; L76-L90 HydrophobicContact CD1-CD2 4.41Å; L76-F92 HydrophobicContact CB-CD1 4.3Å; L76-F92 HydrophobicContact CB-CE1 4.1Å; L76-F92 HydrophobicContact CD1-CD1 4.22Å; L76-F92 HydrophobicContact CD1-CD2 4.48Å; L76-F92 HydrophobicContact CD1-CE1 3.93Å; L76-F92 HydrophobicContact CD1-CE2 4.19Å; L76-F92 HydrophobicContact CD1-CZ 3.91Å |
| 77 | Y | 94.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 37% | 0.365 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -39.7 | 178.9 | -63.6 | -39.8 | 0 | 0 | 0 | 113 | I39 R75 V91 E93 | I39-Y77 HydrophobicContact CG2-CD2 4.09Å; I39-Y77 HydrophobicContact CG2-CE2 3.96Å; R75-Y77 HydrophobicContact CB-CE1 4.42Å; R75-Y77 HydrophobicContact CG-CD1 3.91Å; R75-Y77 HydrophobicContact CG-CE1 3.99Å; R75-Y77 PolarHBondContact O-N 2.93Å; Y77-V91 WeakPolarHBondContact CA-O 3.43Å; Y77-V91 WeakPolarHBondContact CB-O 3.37Å; Y77-V91 HydrophobicContact CD2-CG1 4.41Å; Y77-V91 PolarHBondContact N-O 3.16Å; Y77-E93 HydrophobicContact CE1-CB 4.41Å; Y77-E93 VanDerWaalsContact CE2-CA 3.47Å; Y77-E93 HydrophobicContact CE2-CB 3.83Å; Y77-E93 WeakPolarHBondContact OH-CB 3.43Å |
| 78 | N | 93.8 | Very high | 92.3 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 157.4 | -176.2 | -157.6 | -4.4 | 0 | 0 | 0 | 112.6 | L76 V91 | L76-N78 WeakPolarHBondContact CD1-O 3.36Å; N78-V91 HydrophobicContact CB-CB 3.96Å; N78-V91 HydrophobicContact CB-CG2 4.05Å; N78-V91 PolarHBondContact N-O 2.96Å; N78-V91 PolarHBondContact O-N 3.16Å |
| 79 | V | 94.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.3 | 176.1 | -177 | 0 | 0 | 0 | 0 | 107.9 | I61 L76 I88 L90 I352 | I61-V79 HydrophobicContact CD1-CG1 4.1Å; I61-V79 HydrophobicContact CG2-CG2 3.93Å; L76-V79 HydrophobicContact CD1-CG2 4.16Å; L76-V79 HydrophobicContact CD2-CG2 3.74Å; L76-V79 HydrophobicContact CG-CG2 4.12Å; V79-I88 HydrophobicContact CG1-CD1 3.57Å; V79-I88 HydrophobicContact CG1-CG1 4.07Å; V79-L90 HydrophobicContact CB-CD2 4.35Å; V79-L90 HydrophobicContact CG1-CD2 3.84Å; V79-L90 HydrophobicContact CG2-CD2 4Å; V79-I352 HydrophobicContact CB-CD1 4.22Å; V79-I352 HydrophobicContact CB-CG1 4.03Å; V79-I352 HydrophobicContact CG1-CD1 3.48Å; V79-I352 VanDerWaalsContact CG1-CD1 3.48Å; V79-I352 HydrophobicContact CG1-CG1 3.76Å |
| 80 | I | 94.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.7 | -170.4 | -52.7 | 171.1 | 0 | 0 | 0 | 109.5 | I9 M12 F13 Y89 V91 | I9-I80 HydrophobicContact CD1-CB 4.29Å; I9-I80 HydrophobicContact CD1-CG2 3.61Å; M12-I80 HydrophobicContact CE-CD1 3.73Å; M12-I80 HydrophobicContact SD-CD1 4.09Å; F13-I80 HydrophobicContact CE2-CD1 3.8Å; F13-I80 HydrophobicContact CZ-CD1 4.26Å; I80-Y89 PolarHBondContact N-O 2.98Å; I80-Y89 PolarHBondContact O-N 3.22Å; I80-V91 HydrophobicContact CD1-CG2 3.8Å; I80-V91 HydrophobicContact CG1-CG2 4.44Å |
| 81 | R | 92.2 | Very high | 92.9 | Very high | 129 Ų | 129 | 41.8 Ų | 41.8 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 134.1 | 172.7 | 179.8 | 172.9 | 179.7 | -160.3 | 6.4 | 110.2 | H8 D85 Y349 | H8-R81 PolarHBondContact NE2-O 3.47Å; R81-D85 IonicContact CZ-OD1 3.93Å; R81-D85 IonicContact NE-OD1 2.65Å; R81-D85 PolarHBondContact NE-OD1 3.06Å; R81-D85 IonicContact NH2-OD1 2.71Å; R81-D85 PolarHBondContact NH2-OD1 2.77Å; R81-Y349 HydrophobicContact CB-CE1 4.2Å; R81-Y349 HydrophobicContact CG-CE1 3.9Å; R81-Y349 HydrophobicContact CG-CE2 4.18Å |
| 82 | A | 90.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | trans | -76.2 | 146.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E6 S84 D85 D87 Y89 | E6-A82 VanDerWaalsContact OE2-CA 3.31Å; E6-A82 WeakPolarHBondContact OE2-CA 3.41Å; E6-A82 WeakPolarHBondContact OE2-CB 3.48Å; A82-S84 WeakPolarHBondContact CB-OG 3.26Å; A82-S84 PolarHBondContact O-N 2.85Å; A82-D85 PolarHBondContact O-N 2.7Å; A82-D85 VanDerWaalsContact O-N 3.15Å; A82-D87 HydrophobicContact CB-CB 3.71Å; A82-D87 WeakPolarHBondContact CB-O 3.32Å; A82-Y89 HydrophobicContact CB-CD2 4.17Å; A82-Y89 HydrophobicContact CB-CE2 3.88Å | ||
| 83 | S | 88.5 | Confident | 92.8 | Very high | 101 Ų | 101 | 40.6 Ų | 40.6 | 71% | 0.706 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.3 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | E6 D85 | E6-S83 PolarHBondContact OE2-N 3.07Å; S83-D85 VanDerWaalsContact C-N 3.31Å |
| 84 | S | 84 | Confident | 92.7 | Very high | 47 Ų | 47 | 43 Ų | 43 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.9 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | E6 A82 K86 | E6-S84 VanDerWaalsContact OE1-CB 3.29Å; E6-S84 WeakPolarHBondContact OE1-CB 3.46Å; E6-S84 PolarHBondContact OE1-N 3.14Å; E6-S84 PolarHBondContact OE1-OG 3.48Å; A82-S84 WeakPolarHBondContact CB-OG 3.26Å; A82-S84 PolarHBondContact O-N 2.85Å; S84-K86 PolarHBondContact O-N 3.49Å |
| 85 | D | 81.3 | Confident | 92.7 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.193 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 58.7 | -8.3 | -175.4 | -150.6 | 59 | 0 | 0 | 0 | 117.3 | F48 R81 A82 S83 R345 Y349 | F48-D85 WeakPolarHBondContact CD2-O 3.2Å; R81-D85 IonicContact CZ-OD1 3.93Å; R81-D85 IonicContact NE-OD1 2.65Å; R81-D85 PolarHBondContact NE-OD1 3.06Å; R81-D85 IonicContact NH2-OD1 2.71Å; R81-D85 PolarHBondContact NH2-OD1 2.77Å; A82-D85 PolarHBondContact O-N 2.7Å; A82-D85 VanDerWaalsContact O-N 3.15Å; S83-D85 VanDerWaalsContact C-N 3.31Å; D85-R345 WeakPolarHBondContact OD2-CD 3.29Å; D85-R345 IonicContact OD2-CZ 2.74Å; D85-R345 IonicContact OD2-NE 2.72Å; D85-R345 IonicContact OD2-NH1 3.15Å; D85-R345 PolarHBondContact OD2-NH1 2.94Å; D85-Y349 PolarHBondContact O-OH 3.33Å; D85-Y349 VanDerWaalsContact OD1-CE2 3.24Å; D85-Y349 WeakPolarHBondContact OD1-CE2 3.44Å; D85-Y349 PolarHBondContact OD1-OH 3.21Å |
| 86 | K | 85.4 | Confident | 92.7 | Very high | 130 Ų | 130 | 42.7 Ų | 42.7 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -93.5 | -38.6 | -179.9 | -64.5 | 172.1 | -174.1 | -179 | 0 | 112.4 | D46 A47 S84 | D46-K86 CarbonylContact C-O 3.53Å; D46-K86 WeakPolarHBondContact CA-O 3.23Å; A47-K86 PolarHBondContact N-O 2.95Å; S84-K86 PolarHBondContact O-N 3.49Å |
| 87 | D | 91.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | trans | -93.3 | 160.3 | -176.4 | -62.3 | -32.4 | 0 | 0 | 0 | 111.6 | K43 I44 F45 D46 A82 | K43-D87 VanDerWaalsContact CE-CB 3.47Å; K43-D87 WeakPolarHBondContact CE-OD2 3.36Å; K43-D87 IonicContact NZ-OD2 3.18Å; K43-D87 PolarHBondContact NZ-OD2 2.75Å; I44-D87 WeakPolarHBondContact O-CA 3.38Å; F45-D87 VanDerWaalsContact CA-OD1 3.29Å; F45-D87 WeakPolarHBondContact CA-OD1 3.27Å; D46-D87 PolarHBondContact N-OD1 3.01Å; A82-D87 HydrophobicContact CB-CB 3.71Å; A82-D87 WeakPolarHBondContact CB-O 3.32Å | ||
| 88 | I | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.4 | 170.5 | -164.4 | 169.7 | 0 | 0 | 0 | 111.3 | I44 A47 T57 I61 V79 L348 I352 | I44-I88 HydrophobicContact CB-CG2 3.89Å; I44-I88 HydrophobicContact CD1-CG2 4.07Å; I44-I88 HydrophobicContact CG1-CG2 4.3Å; I44-I88 PolarHBondContact N-O 3.09Å; I44-I88 PolarHBondContact O-N 3.48Å; A47-I88 HydrophobicContact CB-CG2 3.84Å; T57-I88 HydrophobicContact CG2-CG2 3.97Å; I61-I88 HydrophobicContact CD1-CD1 4.08Å; V79-I88 HydrophobicContact CG1-CD1 3.57Å; V79-I88 HydrophobicContact CG1-CG1 4.07Å; I88-L348 HydrophobicContact CD1-CD2 3.58Å; I88-L348 HydrophobicContact CD1-CG 4.36Å; I88-I352 HydrophobicContact CD1-CD1 4.29Å |
| 89 | Y | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.3 | 179.7 | -68.3 | -92.6 | 0 | 0 | 0 | 109.9 | I5 E6 I9 L41 K43 I80 A82 | I5-Y89 HydrophobicContact CG2-CE1 4.24Å; E6-Y89 PolarHBondContact N-OH 3.42Å; I9-Y89 HydrophobicContact CD1-CD1 4.42Å; I9-Y89 HydrophobicContact CD1-CD2 3.75Å; I9-Y89 HydrophobicContact CD1-CE2 4.15Å; I9-Y89 HydrophobicContact CD1-CG 3.9Å; I9-Y89 HydrophobicContact CG1-CD1 4.12Å; I9-Y89 HydrophobicContact CG1-CD2 3.82Å; I9-Y89 HydrophobicContact CG1-CE1 4.02Å; I9-Y89 HydrophobicContact CG1-CE2 3.72Å; I9-Y89 HydrophobicContact CG1-CG 4.03Å; I9-Y89 HydrophobicContact CG2-CD1 4.21Å; I9-Y89 HydrophobicContact CG2-CE1 4.29Å; L41-Y89 HydrophobicContact CD1-CD1 4.08Å; L41-Y89 HydrophobicContact CD2-CD1 4.39Å; L41-Y89 HydrophobicContact CG-CD1 4.27Å; K43-Y89 HydrophobicContact CB-CD1 3.84Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CE1 3.69Å; K43-Y89 HydrophobicContact CD-CE2 4.42Å; K43-Y89 WeakPolarHBondContact CD-OH 3.4Å; K43-Y89 WeakPolarHBondContact CE-OH 3.47Å; K43-Y89 HydrophobicContact CG-CD1 4.17Å; K43-Y89 HydrophobicContact CG-CE1 3.78Å; K43-Y89 PolarHBondContact NZ-OH 2.79Å; K43-Y89 VanDerWaalsContact NZ-OH 3.17Å; I80-Y89 PolarHBondContact N-O 2.98Å; I80-Y89 PolarHBondContact O-N 3.22Å; A82-Y89 HydrophobicContact CB-CD2 4.17Å; A82-Y89 HydrophobicContact CB-CE2 3.88Å |
| 90 | L | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.3 | 173.8 | -53.6 | -175.1 | 0 | 0 | 0 | 109.3 | K42 I44 I61 L76 V79 F92 | K42-L90 HydrophobicContact CB-CB 4.3Å; K42-L90 HydrophobicContact CD-CD1 4.3Å; K42-L90 PolarHBondContact N-O 2.9Å; K42-L90 PolarHBondContact O-N 3.47Å; I44-L90 HydrophobicContact CD1-CD1 3.82Å; I44-L90 HydrophobicContact CD1-CG 4.35Å; I61-L90 HydrophobicContact CD1-CD2 3.77Å; I61-L90 HydrophobicContact CG1-CD1 4.44Å; I61-L90 HydrophobicContact CG1-CD2 3.91Å; L76-L90 HydrophobicContact CD1-CB 4.02Å; L76-L90 HydrophobicContact CD1-CD2 4.41Å; V79-L90 HydrophobicContact CB-CD2 4.35Å; V79-L90 HydrophobicContact CG1-CD2 3.84Å; V79-L90 HydrophobicContact CG2-CD2 4Å; L90-F92 HydrophobicContact CB-CD2 4.02Å; L90-F92 HydrophobicContact CB-CE2 3.42Å; L90-F92 VanDerWaalsContact CB-CE2 3.42Å; L90-F92 HydrophobicContact CB-CZ 4.18Å; L90-F92 HydrophobicContact CD1-CE2 3.89Å; L90-F92 HydrophobicContact CD1-CZ 4.03Å; L90-F92 HydrophobicContact CG-CE2 4.31Å |
| 91 | V | 96.7 | Very high | 93 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.8 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | F13 I39 L41 Y77 N78 I80 | F13-V91 HydrophobicContact CE1-CG1 4.07Å; F13-V91 HydrophobicContact CE2-CG2 4.16Å; F13-V91 HydrophobicContact CZ-CG1 3.99Å; F13-V91 HydrophobicContact CZ-CG2 3.75Å; I39-V91 HydrophobicContact CB-CG1 4.23Å; I39-V91 HydrophobicContact CD1-CG1 4Å; I39-V91 HydrophobicContact CG1-CG1 4.1Å; L41-V91 HydrophobicContact CD1-CG2 4.06Å; Y77-V91 WeakPolarHBondContact CA-O 3.43Å; Y77-V91 WeakPolarHBondContact CB-O 3.37Å; Y77-V91 HydrophobicContact CD2-CG1 4.41Å; Y77-V91 PolarHBondContact N-O 3.16Å; N78-V91 HydrophobicContact CB-CB 3.96Å; N78-V91 HydrophobicContact CB-CG2 4.05Å; N78-V91 PolarHBondContact N-O 2.96Å; N78-V91 PolarHBondContact O-N 3.16Å; I80-V91 HydrophobicContact CD1-CG2 3.8Å; I80-V91 HydrophobicContact CG1-CG2 4.44Å |
| 92 | F | 96.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 164.9 | -179.2 | -68.1 | -87.9 | 0 | 0 | 0 | 111.3 | I39 A40 K42 L64 V74 R75 L76 L90 | I39-F92 WeakPolarHBondContact CB-O 3.47Å; A40-F92 HydrophobicContact CB-CB 4.25Å; A40-F92 PolarHBondContact N-O 3.19Å; A40-F92 PolarHBondContact O-N 3.12Å; K42-F92 HydrophobicContact CB-CD2 4.34Å; K42-F92 HydrophobicContact CB-CE2 4.17Å; K42-F92 HydrophobicContact CD-CE2 4.07Å; L64-F92 HydrophobicContact CD1-CE1 3.63Å; L64-F92 HydrophobicContact CD1-CZ 3.86Å; L64-F92 HydrophobicContact CD2-CE1 4.48Å; V74-F92 HydrophobicContact CG1-CD1 4.03Å; V74-F92 HydrophobicContact CG1-CE1 3.94Å; V74-F92 HydrophobicContact CG2-CB 4.32Å; V74-F92 HydrophobicContact CG2-CD1 3.83Å; V74-F92 HydrophobicContact CG2-CG 4.44Å; R75-F92 WeakPolarHBondContact O-CA 3.46Å; L76-F92 HydrophobicContact CB-CD1 4.3Å; L76-F92 HydrophobicContact CB-CE1 4.1Å; L76-F92 HydrophobicContact CD1-CD1 4.22Å; L76-F92 HydrophobicContact CD1-CD2 4.48Å; L76-F92 HydrophobicContact CD1-CE1 3.93Å; L76-F92 HydrophobicContact CD1-CE2 4.19Å; L76-F92 HydrophobicContact CD1-CZ 3.91Å; L90-F92 HydrophobicContact CB-CD2 4.02Å; L90-F92 HydrophobicContact CB-CE2 3.42Å; L90-F92 VanDerWaalsContact CB-CE2 3.42Å; L90-F92 HydrophobicContact CB-CZ 4.18Å; L90-F92 HydrophobicContact CD1-CE2 3.89Å; L90-F92 HydrophobicContact CD1-CZ 4.03Å; L90-F92 HydrophobicContact CG-CE2 4.31Å |
| 93 | E | 95.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 149.3 | 160.3 | 67.9 | -167.7 | 140.6 | 0 | 0 | 112 | V74 R75 Y77 K152 | V74-E93 HydrophobicContact CG2-CG 4.02Å; R75-E93 VanDerWaalsContact CB-OE1 3.32Å; R75-E93 WeakPolarHBondContact CB-OE1 3.43Å; R75-E93 PolarHBondContact N-OE1 3.26Å; R75-E93 PolarHBondContact O-N 3.12Å; Y77-E93 HydrophobicContact CE1-CB 4.41Å; Y77-E93 VanDerWaalsContact CE2-CA 3.47Å; Y77-E93 HydrophobicContact CE2-CB 3.83Å; Y77-E93 WeakPolarHBondContact OH-CB 3.43Å; E93-K152 VanDerWaalsContact CD-CD 3.44Å; E93-K152 HydrophobicContact CG-CD 4.1Å; E93-K152 VanDerWaalsContact OE1-CD 3.25Å; E93-K152 WeakPolarHBondContact OE1-CD 3.45Å; E93-K152 WeakPolarHBondContact OE1-CE 3.26Å; E93-K152 IonicContact OE1-NZ 3.97Å; E93-K152 PolarHBondContact OE1-NZ 3.16Å; E93-K152 WeakPolarHBondContact OE2-CE 3.39Å; E93-K152 IonicContact OE2-NZ 3.84Å; E93-K152 PolarHBondContact OE2-NZ 3.31Å |
| 94 | Y | 96.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | trans | -90.5 | 130.8 | -178.7 | 172.2 | -91 | 0 | 0 | 0 | 111.8 | I19 K29 I38 E96 | I19-Y94 HydrophobicContact CD1-CD2 3.84Å; I19-Y94 HydrophobicContact CD1-CE2 3.64Å; I19-Y94 HydrophobicContact CG1-CE2 4.36Å; K29-Y94 HydrophobicContact CB-CD2 4Å; K29-Y94 HydrophobicContact CB-CE2 3.7Å; K29-Y94 HydrophobicContact CD-CD2 4.08Å; K29-Y94 HydrophobicContact CD-CE1 4.34Å; K29-Y94 HydrophobicContact CD-CE2 3.47Å; K29-Y94 VanDerWaalsContact CD-CE2 3.47Å; K29-Y94 HydrophobicContact CG-CD2 3.66Å; K29-Y94 HydrophobicContact CG-CE2 3.49Å; K29-Y94 VanDerWaalsContact CG-CE2 3.49Å; K29-Y94 HydrophobicContact CG-CG 4.44Å; I38-Y94 HydrophobicContact CG2-CD1 3.9Å; I38-Y94 HydrophobicContact CG2-CD2 4.29Å; I38-Y94 HydrophobicContact CG2-CG 3.72Å; Y94-E96 HydrophobicContact CE1-CG 3.93Å | ||
| 95 | M | 96.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 44 Ų | 44 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | trans | -117.4 | 155.3 | 167.4 | -63.6 | -62.6 | -89.4 | 0 | 0 | 109.8 | L144 N146 L150 K152 | M95-L144 HydrophobicContact CB-CB 3.76Å; M95-L144 HydrophobicContact CB-CD1 4.33Å; M95-L144 HydrophobicContact CG-CB 3.79Å; M95-L144 HydrophobicContact CG-CD1 4.22Å; M95-N146 HydrophobicContact CE-CB 4.21Å; M95-N146 HydrophobicContact SD-CB 4.34Å; M95-L150 WeakPolarHBondContact CE-O 3.44Å; M95-K152 HydrophobicContact CE-CB 4.21Å; M95-K152 HydrophobicContact CE-CD 3.97Å; M95-K152 HydrophobicContact CE-CG 4.05Å; M95-K152 HydrophobicContact CG-CD 4.17Å; M95-K152 HydrophobicContact SD-CD 3.82Å | ||
| 96 | E | 94.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 44 Ų | 44 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -83.3 | -34.8 | -168.7 | -65.7 | 175 | -132.4 | 0 | 0 | 113.8 | Y94 L145 N146 S147 | Y94-E96 HydrophobicContact CE1-CG 3.93Å; E96-L145 PolarHBondContact N-O 3.18Å; E96-N146 HydrophobicContact CG-CB 4.36Å; E96-S147 VanDerWaalsContact CD-N 3.32Å; E96-S147 VanDerWaalsContact OE1-CB 3.31Å; E96-S147 WeakPolarHBondContact OE1-CB 3.35Å; E96-S147 PolarHBondContact OE1-N 2.9Å; E96-S147 PolarHBondContact OE1-OG 3.38Å |
| 97 | T | 95.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 46 Ų | 46 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 170.6 | -175.6 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | V102 L145 | T97-V102 HydrophobicContact CG2-CG2 3.54Å; T97-L145 HydrophobicContact CG2-CB 3.87Å; T97-L145 PolarHBondContact N-O 3.37Å; T97-L145 VanDerWaalsContact N-O 3.11Å; T97-L145 PolarHBondContact O-N 3.29Å; T97-L145 VanDerWaalsContact O-O 3.14Å |
| 98 | D | 96.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 49 Ų | 49 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 163 | 162.8 | 56.6 | 89.3 | 0 | 0 | 0 | 111.1 | H100 N101 V102 V143 L144 | D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 PolarHBondContact OD1-N 3.02Å; D98-N101 PolarHBondContact O-N 2.8Å; D98-N101 WeakPolarHBondContact OD1-CB 3.37Å; D98-N101 PolarHBondContact OD1-N 3.2Å; D98-N101 PolarHBondContact OD1-ND2 3.37Å; D98-N101 PolarHBondContact OD2-ND2 3.19Å; D98-V102 PolarHBondContact O-N 3.11Å; D98-V143 CarbonylContact C-O 3.42Å; D98-V143 VanDerWaalsContact CA-O 3.31Å; D98-V143 WeakPolarHBondContact CA-O 3.4Å; D98-L144 HydrophobicContact CB-CD2 4.36Å |
| 99 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 179.8 | 177.7 | 64.1 | 0 | 0 | 0 | 112.4 | N101 V102 I103 L109 I117 P140 V143 L145 I217 M221 | L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 3.07Å; L99-V102 PolarHBondContact O-N 3.28Å; L99-I103 HydrophobicContact CD1-CD1 3.99Å; L99-I103 HydrophobicContact CD1-CG1 3.87Å; L99-I103 HydrophobicContact CD2-CD1 4.28Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.11Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-L109 HydrophobicContact CD1-CD1 3.77Å; L99-I117 HydrophobicContact CD1-CD1 4.25Å; L99-I117 HydrophobicContact CD2-CG2 4.26Å; L99-P140 HydrophobicContact CB-CB 4.21Å; L99-P140 WeakPolarHBondContact CB-O 3.35Å; L99-P140 HydrophobicContact CD2-CB 4.24Å; L99-P140 HydrophobicContact CG-CB 4.11Å; L99-P140 PolarHBondContact N-O 3.15Å; L99-V143 HydrophobicContact CB-CB 3.85Å; L99-V143 HydrophobicContact CB-CG1 3.93Å; L99-V143 HydrophobicContact CD2-CB 4.18Å; L99-V143 HydrophobicContact CD2-CG1 4.01Å; L99-V143 HydrophobicContact CD2-CG2 4.48Å; L99-V143 PolarHBondContact N-O 3.04Å; L99-L145 HydrophobicContact CB-CD1 3.98Å; L99-L145 HydrophobicContact CD1-CD1 3.96Å; L99-I217 HydrophobicContact CD2-CG2 3.72Å; L99-M221 HydrophobicContact CD1-CG 4.16Å; L99-M221 HydrophobicContact CD1-SD 4.02Å; L99-M221 HydrophobicContact CD2-CG 4.1Å; L99-M221 HydrophobicContact CD2-SD 3.95Å |
| 100 | H | 95.5 | Very high | 94 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.4 | 179.4 | 70.9 | 0 | 0 | 0 | 111.2 | D98 V102 K104 P140 E220 | D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 PolarHBondContact OD1-N 3.02Å; H100-V102 PolarHBondContact O-N 3.45Å; H100-K104 WeakPolarHBondContact O-CB 3.41Å; H100-K104 PolarHBondContact O-N 3.23Å; H100-P140 HydrophobicContact CB-CB 3.88Å; H100-P140 PolarHBondContact N-O 3.29Å; H100-E220 IonicContact ND1-OE1 3.59Å |
| 101 | N | 94.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 59 Ų | 59 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.2 | -14.3 | 175.2 | -83.8 | -55.5 | 0 | 0 | 0 | 114.3 | D98 L99 K105 | D98-N101 PolarHBondContact O-N 2.8Å; D98-N101 WeakPolarHBondContact OD1-CB 3.37Å; D98-N101 PolarHBondContact OD1-N 3.2Å; D98-N101 PolarHBondContact OD1-ND2 3.37Å; D98-N101 PolarHBondContact OD2-ND2 3.19Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 3.07Å; N101-K105 VanDerWaalsContact O-CD 3.3Å; N101-K105 WeakPolarHBondContact O-CD 3.26Å; N101-K105 WeakPolarHBondContact O-CE 3.46Å; N101-K105 WeakPolarHBondContact O-CG 3.34Å |
| 102 | V | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -86.5 | -51.7 | 171.3 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | T97 D98 L99 H100 K104 K105 I108 L109 L145 | T97-V102 HydrophobicContact CG2-CG2 3.54Å; D98-V102 PolarHBondContact O-N 3.11Å; L99-V102 PolarHBondContact O-N 3.28Å; H100-V102 PolarHBondContact O-N 3.45Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3Å; V102-K105 PolarHBondContact O-N 3.4Å; V102-K105 VanDerWaalsContact O-N 3.16Å; V102-I108 HydrophobicContact CG1-CB 4.2Å; V102-I108 HydrophobicContact CG1-CG2 3.94Å; V102-L109 HydrophobicContact CG1-CD1 3.86Å; V102-L109 HydrophobicContact CG1-CD2 3.86Å; V102-L109 HydrophobicContact CG1-CG 3.67Å; V102-L145 HydrophobicContact CB-CD1 4.33Å; V102-L145 HydrophobicContact CG2-CD1 3.89Å |
| 103 | I | 95.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 177.9 | -63 | 173.3 | 0 | 0 | 0 | 110.2 | L99 K105 G106 L109 P140 E220 M221 | L99-I103 HydrophobicContact CD1-CD1 3.99Å; L99-I103 HydrophobicContact CD1-CG1 3.87Å; L99-I103 HydrophobicContact CD2-CD1 4.28Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.11Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3.15Å; I103-K105 PolarHBondContact O-N 3.11Å; I103-K105 VanDerWaalsContact O-N 3.09Å; I103-G106 PolarHBondContact O-N 2.83Å; I103-L109 HydrophobicContact CG1-CD1 4.28Å; I103-P140 HydrophobicContact CD1-CB 4.41Å; I103-E220 HydrophobicContact CD1-CB 4.46Å; I103-E220 HydrophobicContact CD1-CG 3.94Å; I103-E220 HydrophobicContact CG2-CG 4.2Å; I103-M221 HydrophobicContact CD1-CB 4.45Å; I103-M221 HydrophobicContact CD1-CG 3.72Å; I103-M221 HydrophobicContact CG1-CG 4.31Å |
| 104 | K | 94.2 | Very high | 94 | Very high | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.1 | -178.9 | -177.5 | 168.3 | -176.5 | 166.6 | 0 | 115.2 | H100 V102 | H100-K104 WeakPolarHBondContact O-CB 3.41Å; H100-K104 PolarHBondContact O-N 3.23Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3Å |
| 105 | K | 92.9 | Very high | 94 | Very high | 140 Ų | 140 | 61.8 Ų | 61.8 | 61% | 0.609 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -20.1 | 174.9 | -70.3 | 167.5 | -173.7 | 166.3 | 0 | 112.6 | N101 V102 I103 I108 | N101-K105 VanDerWaalsContact O-CD 3.3Å; N101-K105 WeakPolarHBondContact O-CD 3.26Å; N101-K105 WeakPolarHBondContact O-CE 3.46Å; N101-K105 WeakPolarHBondContact O-CG 3.34Å; V102-K105 PolarHBondContact O-N 3.4Å; V102-K105 VanDerWaalsContact O-N 3.16Å; I103-K105 PolarHBondContact O-N 3.11Å; I103-K105 VanDerWaalsContact O-N 3.09Å; K105-I108 HydrophobicContact CB-CD1 3.69Å; K105-I108 HydrophobicContact CD-CD1 3.47Å; K105-I108 VanDerWaalsContact CD-CD1 3.47Å; K105-I108 HydrophobicContact CG-CD1 4.24Å |
| 106 | G | 87.1 | Confident | 94.1 | Very high | 34 Ų | 34 | 64.2 Ų | 64.2 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | trans | 71.1 | 159.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I103 I108 | I103-G106 PolarHBondContact O-N 2.83Å; G106-I108 PolarHBondContact O-N 3.22Å | ||
| 107 | N | 82 | Confident | 94.3 | Very high | 172 Ų | 172 | 59.8 Ų | 59.8 | 92% | 0.92 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 54 | 5.8 | 163.3 | -56.6 | -1.5 | 0 | 0 | 0 | 119.1 | ||
| 108 | I | 89.3 | Confident | 94.4 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 42% | 0.415 | 29% | 0.293 | S | S | . | . | trans | -82.2 | -30.7 | 175.6 | -66.8 | 172.2 | 0 | 0 | 0 | 112.2 | V102 K105 G106 N110 H113 | V102-I108 HydrophobicContact CG1-CB 4.2Å; V102-I108 HydrophobicContact CG1-CG2 3.94Å; K105-I108 HydrophobicContact CB-CD1 3.69Å; K105-I108 HydrophobicContact CD-CD1 3.47Å; K105-I108 VanDerWaalsContact CD-CD1 3.47Å; K105-I108 HydrophobicContact CG-CD1 4.24Å; G106-I108 PolarHBondContact O-N 3.22Å; I108-N110 PolarHBondContact O-N 2.84Å; I108-H113 PolarHBondContact O-ND1 2.96Å | ||
| 109 | L | 91.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | trans | -97.9 | 91.2 | -174.4 | -63.7 | 178.8 | 0 | 0 | 0 | 111.7 | L99 V102 I103 H113 K114 I117 | L99-L109 HydrophobicContact CD1-CD1 3.77Å; V102-L109 HydrophobicContact CG1-CD1 3.86Å; V102-L109 HydrophobicContact CG1-CD2 3.86Å; V102-L109 HydrophobicContact CG1-CG 3.67Å; I103-L109 HydrophobicContact CG1-CD1 4.28Å; L109-H113 HydrophobicContact CB-CB 4.44Å; L109-H113 HydrophobicContact CD2-CB 3.74Å; L109-K114 HydrophobicContact CB-CG 4.06Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; L109-K114 PolarHBondContact O-NZ 2.78Å; L109-I117 HydrophobicContact CD1-CD1 4.23Å; L109-I117 HydrophobicContact CD2-CD1 3.7Å | ||
| 110 | N | 94.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | trans | -55.4 | 154.7 | 160.1 | -63.7 | -12.7 | 0 | 0 | 0 | 110.1 | I108 I112 H113 K114 | I108-N110 PolarHBondContact O-N 2.84Å; N110-I112 HydrophobicContact CB-CG2 4.15Å; N110-I112 PolarHBondContact O-N 2.6Å; N110-H113 PolarHBondContact N-ND1 3.15Å; N110-H113 WeakPolarHBondContact O-CA 3.33Å; N110-H113 VanDerWaalsContact O-CB 3.3Å; N110-H113 WeakPolarHBondContact O-CB 3.47Å; N110-H113 PolarHBondContact O-N 3.23Å; N110-K114 PolarHBondContact O-N 3.15Å; N110-K114 VanDerWaalsContact O-N 3.11Å | ||
| 111 | D | 94.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -30.1 | -172.7 | -59 | -49.9 | 0 | 0 | 0 | 113.7 | H113 K114 Q115 | D111-H113 VanDerWaalsContact C-N 3.3Å; D111-H113 PolarHBondContact O-N 3.38Å; D111-K114 WeakPolarHBondContact O-CB 3.5Å; D111-K114 PolarHBondContact O-N 2.75Å; D111-K114 IonicContact OD1-NZ 2.72Å; D111-K114 PolarHBondContact OD1-NZ 3.35Å; D111-Q115 WeakPolarHBondContact O-CG 3.46Å; D111-Q115 PolarHBondContact O-N 2.83Å |
| 112 | I | 95.8 | Very high | 94.9 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 35% | 0.354 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 170.7 | -166.8 | 68.8 | 0 | 0 | 0 | 112.2 | N110 Y116 F316 | N110-I112 HydrophobicContact CB-CG2 4.15Å; N110-I112 PolarHBondContact O-N 2.6Å; I112-Y116 VanDerWaalsContact O-CB 3.29Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 PolarHBondContact O-N 2.72Å; I112-F316 HydrophobicContact CD1-CE1 4.35Å; I112-F316 HydrophobicContact CD1-CE2 4.33Å; I112-F316 HydrophobicContact CD1-CZ 3.57Å; I112-F316 HydrophobicContact CG1-CZ 4.11Å |
| 113 | H | 96.5 | Very high | 95 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 173.8 | -52.3 | 159.8 | 0 | 0 | 0 | 110.7 | I108 L109 N110 D111 Q115 Y116 I117 | I108-H113 PolarHBondContact O-ND1 2.96Å; L109-H113 HydrophobicContact CB-CB 4.44Å; L109-H113 HydrophobicContact CD2-CB 3.74Å; N110-H113 PolarHBondContact N-ND1 3.15Å; N110-H113 WeakPolarHBondContact O-CA 3.33Å; N110-H113 VanDerWaalsContact O-CB 3.3Å; N110-H113 WeakPolarHBondContact O-CB 3.47Å; N110-H113 PolarHBondContact O-N 3.23Å; D111-H113 VanDerWaalsContact C-N 3.3Å; D111-H113 PolarHBondContact O-N 3.38Å; H113-Q115 PolarHBondContact O-N 2.93Å; H113-Y116 PolarHBondContact O-N 3.29Å; H113-I117 WeakPolarHBondContact O-CB 3.28Å; H113-I117 WeakPolarHBondContact O-CD1 3.42Å; H113-I117 VanDerWaalsContact O-CG1 3.23Å; H113-I117 WeakPolarHBondContact O-CG1 3.38Å; H113-I117 PolarHBondContact O-N 3.1Å |
| 114 | K | 97.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 176 | -56.9 | -174.6 | -176.8 | 81.3 | 0 | 111.1 | L109 N110 D111 M118 M221 L222 | L109-K114 HydrophobicContact CB-CG 4.06Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; L109-K114 PolarHBondContact O-NZ 2.78Å; N110-K114 PolarHBondContact O-N 3.15Å; N110-K114 VanDerWaalsContact O-N 3.11Å; D111-K114 WeakPolarHBondContact O-CB 3.5Å; D111-K114 PolarHBondContact O-N 2.75Å; D111-K114 IonicContact OD1-NZ 2.72Å; D111-K114 PolarHBondContact OD1-NZ 3.35Å; K114-M118 WeakPolarHBondContact O-CB 3.13Å; K114-M118 PolarHBondContact O-N 3.08Å; K114-M221 HydrophobicContact CD-CB 4.42Å; K114-M221 WeakPolarHBondContact CD-O 3.36Å; K114-M221 WeakPolarHBondContact CE-O 3.05Å; K114-M221 HydrophobicContact CG-CB 4.4Å; K114-L222 HydrophobicContact CD-CD2 3.75Å; K114-L222 HydrophobicContact CD-CG 4.35Å |
| 115 | Q | 97.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.5 | -71.5 | 168.3 | -12.3 | 0 | 0 | 112.5 | D111 H113 M118 Y119 Y312 F316 | D111-Q115 WeakPolarHBondContact O-CG 3.46Å; D111-Q115 PolarHBondContact O-N 2.83Å; H113-Q115 PolarHBondContact O-N 2.93Å; Q115-M118 PolarHBondContact O-N 3.12Å; Q115-Y119 WeakPolarHBondContact O-CB 3.33Å; Q115-Y119 PolarHBondContact O-N 3.15Å; Q115-Y312 HydrophobicContact CB-CE1 4.39Å; Q115-Y312 VanDerWaalsContact CD-O 3.31Å; Q115-Y312 HydrophobicContact CG-CD1 4.07Å; Q115-Y312 HydrophobicContact CG-CD2 3.84Å; Q115-Y312 HydrophobicContact CG-CE1 3.64Å; Q115-Y312 HydrophobicContact CG-CE2 3.38Å; Q115-Y312 HydrophobicContact CG-CG 4.16Å; Q115-Y312 WeakPolarHBondContact CG-O 3.3Å; Q115-Y312 VanDerWaalsContact NE2-CE2 3.29Å; Q115-Y312 PolarHBondContact NE2-O 3.4Å; Q115-F316 HydrophobicContact CB-CE2 3.79Å |
| 116 | Y | 97.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 36.4 Ų | 36.4 | 28% | 0.275 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.7 | -35.3 | -179.5 | -172.5 | -121.5 | 0 | 0 | 0 | 112.9 | I112 H113 Y119 Q120 C149 L150 F316 | I112-Y116 VanDerWaalsContact O-CB 3.29Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 PolarHBondContact O-N 2.72Å; H113-Y116 PolarHBondContact O-N 3.29Å; Y116-Y119 HydrophobicContact CD2-CD1 4.34Å; Y116-Y119 HydrophobicContact CE2-CD1 4.4Å; Y116-Q120 VanDerWaalsContact CD1-NE2 3.27Å; Y116-Q120 HydrophobicContact CE2-CG 4.49Å; Y116-Q120 WeakPolarHBondContact O-CG 3.44Å; Y116-Q120 PolarHBondContact O-N 3.1Å; Y116-Q120 PolarHBondContact O-NE2 3.49Å; Y116-C149 HydrophobicContact CD1-CB 4.43Å; Y116-L150 HydrophobicContact CE1-CD2 4.23Å; Y116-L150 WeakPolarHBondContact OH-CD2 3.42Å; Y116-F316 AromaticContact CD2-CD1 3.76Å; Y116-F316 HydrophobicContact CD2-CD1 3.76Å; Y116-F316 HydrophobicContact CD2-CD2 4.27Å; Y116-F316 AromaticContact CD2-CE1 3.71Å; Y116-F316 HydrophobicContact CD2-CE1 3.71Å; Y116-F316 HydrophobicContact CD2-CE2 4.22Å; Y116-F316 HydrophobicContact CD2-CG 4.04Å; Y116-F316 AromaticContact CD2-CZ 3.93Å; Y116-F316 HydrophobicContact CD2-CZ 3.93Å; Y116-F316 HydrophobicContact CE2-CD1 4.31Å; Y116-F316 HydrophobicContact CE2-CE1 4.47Å; Y116-F316 HydrophobicContact CG-CE1 4.33Å; Y116-F316 HydrophobicContact CG-CZ 4.2Å |
| 117 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 171.6 | -70.2 | 167.2 | 0 | 0 | 0 | 109.9 | L99 L109 H113 Q120 L121 L145 V151 M221 | L99-I117 HydrophobicContact CD1-CD1 4.25Å; L99-I117 HydrophobicContact CD2-CG2 4.26Å; L109-I117 HydrophobicContact CD1-CD1 4.23Å; L109-I117 HydrophobicContact CD2-CD1 3.7Å; H113-I117 WeakPolarHBondContact O-CB 3.28Å; H113-I117 WeakPolarHBondContact O-CD1 3.42Å; H113-I117 VanDerWaalsContact O-CG1 3.23Å; H113-I117 WeakPolarHBondContact O-CG1 3.38Å; H113-I117 PolarHBondContact O-N 3.1Å; I117-Q120 PolarHBondContact O-N 2.92Å; I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.81Å; I117-L145 HydrophobicContact CD1-CD1 4.31Å; I117-L145 HydrophobicContact CD1-CD2 4.1Å; I117-L145 HydrophobicContact CG1-CD2 4.08Å; I117-V151 HydrophobicContact CB-CG2 4.05Å; I117-V151 HydrophobicContact CG1-CG2 3.94Å; I117-V151 HydrophobicContact CG2-CG2 3.81Å; I117-M221 HydrophobicContact CB-SD 4.11Å; I117-M221 HydrophobicContact CG2-CE 4.18Å; I117-M221 HydrophobicContact CG2-SD 3.65Å |
| 118 | M | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 176.9 | -166.7 | 67.2 | -105.9 | 0 | 0 | 112.3 | K114 Q115 Q120 L121 L122 L214 L218 M221 L289 M293 Y312 V313 | K114-M118 WeakPolarHBondContact O-CB 3.13Å; K114-M118 PolarHBondContact O-N 3.08Å; Q115-M118 PolarHBondContact O-N 3.12Å; M118-Q120 PolarHBondContact O-N 3.29Å; M118-L121 HydrophobicContact CE-CB 4.16Å; M118-L121 PolarHBondContact O-N 2.73Å; M118-L122 HydrophobicContact CE-CD1 4.21Å; M118-L122 HydrophobicContact CE-CD2 4.29Å; M118-L122 HydrophobicContact CE-CG 3.81Å; M118-L122 HydrophobicContact CG-CD1 4.27Å; M118-L122 WeakPolarHBondContact O-CB 3.32Å; M118-L122 WeakPolarHBondContact O-CG 3.47Å; M118-L122 PolarHBondContact O-N 3.28Å; M118-L214 HydrophobicContact CE-CB 3.92Å; M118-L214 HydrophobicContact CE-CD1 3.98Å; M118-L214 HydrophobicContact CE-CD2 3.98Å; M118-L214 HydrophobicContact CE-CG 4.18Å; M118-L218 HydrophobicContact CG-CD1 4.24Å; M118-L218 HydrophobicContact CG-CD2 4.36Å; M118-L218 HydrophobicContact SD-CB 3.77Å; M118-L218 HydrophobicContact SD-CD1 3.99Å; M118-L218 HydrophobicContact SD-CD2 3.99Å; M118-L218 HydrophobicContact SD-CG 4.12Å; M118-M221 HydrophobicContact CB-CE 4.39Å; M118-M221 HydrophobicContact SD-CE 4.42Å; M118-L289 HydrophobicContact CG-CD2 4.44Å; M118-M293 HydrophobicContact CE-CE 4.09Å; M118-Y312 HydrophobicContact CB-CE1 4.37Å; M118-Y312 HydrophobicContact CG-CE1 4.38Å; M118-V313 HydrophobicContact CB-CG1 4.04Å; M118-V313 HydrophobicContact CG-CG1 4.05Å |
| 119 | Y | 98.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 175.4 | 171.9 | -117.8 | 0 | 0 | 0 | 111.9 | Q115 Y116 L121 L122 K123 L308 F316 S318 E321 | Q115-Y119 WeakPolarHBondContact O-CB 3.33Å; Q115-Y119 PolarHBondContact O-N 3.15Å; Y116-Y119 HydrophobicContact CD2-CD1 4.34Å; Y116-Y119 HydrophobicContact CE2-CD1 4.4Å; Y119-L121 PolarHBondContact O-N 2.59Å; Y119-L122 WeakPolarHBondContact O-CB 3.24Å; Y119-L122 PolarHBondContact O-N 3.43Å; Y119-L122 VanDerWaalsContact O-N 3.17Å; Y119-K123 HydrophobicContact CD1-CD 4.35Å; Y119-K123 HydrophobicContact CE1-CD 3.74Å; Y119-K123 HydrophobicContact CE1-CG 4.46Å; Y119-K123 HydrophobicContact CE2-CD 4.18Å; Y119-K123 HydrophobicContact CE2-CG 4.13Å; Y119-K123 WeakPolarHBondContact O-CG 3.39Å; Y119-K123 PolarHBondContact O-N 3.15Å; Y119-L308 HydrophobicContact CD2-CD2 3.6Å; Y119-L308 HydrophobicContact CE2-CD2 3.65Å; Y119-F316 HydrophobicContact CD1-CB 3.45Å; Y119-F316 VanDerWaalsContact CD1-CB 3.45Å; Y119-F316 HydrophobicContact CD1-CG 4.18Å; Y119-F316 HydrophobicContact CD2-CB 4Å; Y119-F316 HydrophobicContact CE1-CB 3.65Å; Y119-F316 WeakPolarHBondContact CE1-O 3.45Å; Y119-F316 HydrophobicContact CE2-CB 4.21Å; Y119-F316 HydrophobicContact CG-CB 3.64Å; Y119-F316 HydrophobicContact CG-CD2 4.43Å; Y119-F316 HydrophobicContact CG-CG 4.38Å; Y119-F316 PolarHBondContact OH-O 3.36Å; Y119-S318 PolarHBondContact OH-N 3.01Å; Y119-E321 PolarHBondContact OH-OE2 2.96Å |
| 120 | Q | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.7 | -35.5 | -179.6 | -70.6 | 173.8 | 89.4 | 0 | 0 | 113.5 | N72 Y116 I117 M118 L122 K123 A124 C149 V151 | N72-Q120 HydrophobicContact CB-CB 4.45Å; N72-Q120 PolarHBondContact ND2-OE1 3.33Å; Y116-Q120 VanDerWaalsContact CD1-NE2 3.27Å; Y116-Q120 HydrophobicContact CE2-CG 4.49Å; Y116-Q120 WeakPolarHBondContact O-CG 3.44Å; Y116-Q120 PolarHBondContact O-N 3.1Å; Y116-Q120 PolarHBondContact O-NE2 3.49Å; I117-Q120 PolarHBondContact O-N 2.92Å; M118-Q120 PolarHBondContact O-N 3.29Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-K123 PolarHBondContact O-N 2.72Å; Q120-A124 PolarHBondContact O-N 3.03Å; Q120-C149 PolarHBondContact NE2-O 3.39Å; Q120-V151 HydrophobicContact CB-CB 3.7Å; Q120-V151 HydrophobicContact CB-CG1 4.26Å; Q120-V151 HydrophobicContact CB-CG2 4.05Å; Q120-V151 HydrophobicContact CG-CB 4.47Å |
| 121 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 172.2 | -75.5 | 174.5 | 0 | 0 | 0 | 112.2 | I117 M118 Y119 T125 V143 V151 L214 I217 | I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.81Å; M118-L121 HydrophobicContact CE-CB 4.16Å; M118-L121 PolarHBondContact O-N 2.73Å; Y119-L121 PolarHBondContact O-N 2.59Å; L121-T125 VanDerWaalsContact O-CB 3.3Å; L121-T125 WeakPolarHBondContact O-CB 3.37Å; L121-T125 PolarHBondContact O-N 3.2Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L121-V143 HydrophobicContact CD1-CG1 4.34Å; L121-V143 HydrophobicContact CD1-CG2 4.24Å; L121-V143 HydrophobicContact CD2-CB 4.44Å; L121-V143 HydrophobicContact CD2-CG1 3.94Å; L121-V143 HydrophobicContact CD2-CG2 3.7Å; L121-V143 HydrophobicContact CG-CG1 4.43Å; L121-V151 HydrophobicContact CD2-CG1 3.74Å; L121-V151 HydrophobicContact CG-CG1 4.04Å; L121-L214 HydrophobicContact CB-CD2 3.83Å; L121-L214 HydrophobicContact CD1-CD2 4.1Å; L121-L214 HydrophobicContact CG-CD2 4.39Å; L121-I217 HydrophobicContact CD1-CG2 4.12Å |
| 122 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68 | -39 | 173.8 | -73.2 | 168.1 | 0 | 0 | 0 | 112 | M118 Y119 Q120 T125 A126 L214 M293 A304 A307 L308 V313 | M118-L122 HydrophobicContact CE-CD1 4.21Å; M118-L122 HydrophobicContact CE-CD2 4.29Å; M118-L122 HydrophobicContact CE-CG 3.81Å; M118-L122 HydrophobicContact CG-CD1 4.27Å; M118-L122 WeakPolarHBondContact O-CB 3.32Å; M118-L122 WeakPolarHBondContact O-CG 3.47Å; M118-L122 PolarHBondContact O-N 3.28Å; Y119-L122 WeakPolarHBondContact O-CB 3.24Å; Y119-L122 PolarHBondContact O-N 3.43Å; Y119-L122 VanDerWaalsContact O-N 3.17Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; L122-T125 PolarHBondContact O-N 2.82Å; L122-A126 VanDerWaalsContact O-CB 3.28Å; L122-A126 WeakPolarHBondContact O-CB 3.27Å; L122-A126 PolarHBondContact O-N 2.74Å; L122-L214 HydrophobicContact CD2-CD1 3.77Å; L122-L214 HydrophobicContact CG-CD1 4.43Å; L122-M293 HydrophobicContact CD1-CE 4.43Å; L122-M293 HydrophobicContact CD2-CE 3.89Å; L122-A304 HydrophobicContact CD2-CB 4.4Å; L122-A307 HydrophobicContact CD1-CB 3.95Å; L122-A307 HydrophobicContact CD2-CB 3.59Å; L122-A307 HydrophobicContact CG-CB 4.42Å; L122-L308 HydrophobicContact CB-CD2 3.56Å; L122-L308 HydrophobicContact CB-CG 3.85Å; L122-V313 HydrophobicContact CD1-CG1 4.45Å; L122-V313 HydrophobicContact CD1-CG2 4.19Å |
| 123 | K | 98 | Very high | 97.4 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 6% | 0.057 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 172 | -65.2 | -176.2 | 83.9 | 178.3 | 0 | 111.3 | Y119 Q120 T125 A126 Y127 L308 E321 | Y119-K123 HydrophobicContact CD1-CD 4.35Å; Y119-K123 HydrophobicContact CE1-CD 3.74Å; Y119-K123 HydrophobicContact CE1-CG 4.46Å; Y119-K123 HydrophobicContact CE2-CD 4.18Å; Y119-K123 HydrophobicContact CE2-CG 4.13Å; Y119-K123 WeakPolarHBondContact O-CG 3.39Å; Y119-K123 PolarHBondContact O-N 3.15Å; Q120-K123 PolarHBondContact O-N 2.72Å; K123-T125 VanDerWaalsContact C-N 3.31Å; K123-T125 PolarHBondContact O-N 3.01Å; K123-A126 PolarHBondContact O-N 2.88Å; K123-Y127 PolarHBondContact O-N 2.94Å; K123-L308 HydrophobicContact CG-CD2 3.87Å; K123-E321 WeakPolarHBondContact CE-O 3.32Å; K123-E321 PolarHBondContact NZ-O 2.61Å; K123-E321 VanDerWaalsContact NZ-O 3.09Å; K123-E321 IonicContact NZ-OE2 2.73Å; K123-E321 PolarHBondContact NZ-OE2 2.67Å |
| 124 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N72 I73 Q120 L128 L153 | N72-A124 HydrophobicContact CB-CB 3.99Å; N72-A124 WeakPolarHBondContact O-CB 3.3Å; I73-A124 HydrophobicContact CG1-CB 4.21Å; Q120-A124 PolarHBondContact O-N 3.03Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.38Å; A124-L128 PolarHBondContact O-N 2.96Å; A124-L128 VanDerWaalsContact O-N 3.09Å; A124-L153 HydrophobicContact CB-CB 4.41Å; A124-L153 HydrophobicContact CB-CD2 4.4Å |
| 125 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -72.1 | -39.8 | -178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L121 L122 K123 Y127 L128 H129 Q138 D210 I211 L214 A304 | L121-T125 VanDerWaalsContact O-CB 3.3Å; L121-T125 WeakPolarHBondContact O-CB 3.37Å; L121-T125 PolarHBondContact O-N 3.2Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L122-T125 PolarHBondContact O-N 2.82Å; K123-T125 VanDerWaalsContact C-N 3.31Å; K123-T125 PolarHBondContact O-N 3.01Å; T125-Y127 PolarHBondContact O-N 3.44Å; T125-L128 PolarHBondContact O-N 3.4Å; T125-H129 WeakPolarHBondContact CG2-CE1 3.34Å; T125-H129 WeakPolarHBondContact CG2-NE2 3.48Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-CD2 2.65Å; T125-H129 PolarHBondContact O-N 2.95Å; T125-Q138 PolarHBondContact OG1-NE2 2.93Å; T125-D210 HydrophobicContact CG2-CB 4.03Å; T125-I211 HydrophobicContact CG2-CD1 4.36Å; T125-L214 HydrophobicContact CG2-CD1 4.2Å; T125-A304 HydrophobicContact CG2-CB 4.04Å |
| 126 | A | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 5% | 0.05 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L122 K123 H129 S130 A304 L308 | L122-A126 VanDerWaalsContact O-CB 3.28Å; L122-A126 WeakPolarHBondContact O-CB 3.27Å; L122-A126 PolarHBondContact O-N 2.74Å; K123-A126 PolarHBondContact O-N 2.88Å; A126-H129 PolarHBondContact O-N 3.46Å; A126-S130 PolarHBondContact O-N 2.78Å; A126-S130 PolarHBondContact O-OG 3.34Å; A126-A304 HydrophobicContact CB-CB 3.88Å; A126-L308 HydrophobicContact CB-CD1 3.99Å |
| 127 | Y | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 9 Ų | 9 | 7% | 0.071 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 175.4 | -179.5 | -116.8 | 0 | 0 | 0 | 111.8 | F67 H70 I73 K123 T125 H129 S130 G131 M323 M325 | F67-Y127 HydrophobicContact CB-CE1 4.31Å; F67-Y127 PolarHBondContact O-OH 3.48Å; H70-Y127 HydrophobicContact CB-CD1 3.67Å; H70-Y127 HydrophobicContact CB-CE1 3.52Å; H70-Y127 HydrophobicContact CB-CG 4.5Å; H70-Y127 AromaticContact CD2-CD1 3.44Å; H70-Y127 VanDerWaalsContact CD2-CD1 3.44Å; H70-Y127 WeakPolarHBondContact CD2-CD1 3.27Å; H70-Y127 AromaticContact CD2-CD2 4Å; H70-Y127 AromaticContact CD2-CG 3.43Å; H70-Y127 VanDerWaalsContact CD2-CG 3.43Å; H70-Y127 AromaticContact CG-CD1 3.49Å; H70-Y127 VanDerWaalsContact CG-CD1 3.49Å; H70-Y127 AromaticContact CG-CE1 3.9Å; H70-Y127 AromaticContact CG-CG 3.99Å; H70-Y127 AromaticContact NE2-CG 4Å; I73-Y127 HydrophobicContact CD1-CD1 3.74Å; I73-Y127 HydrophobicContact CD1-CE1 4.19Å; K123-Y127 PolarHBondContact O-N 2.94Å; T125-Y127 PolarHBondContact O-N 3.44Å; Y127-H129 PolarHBondContact O-N 2.89Å; Y127-S130 PolarHBondContact O-N 2.8Å; Y127-S130 PolarHBondContact O-OG 3.34Å; Y127-G131 PolarHBondContact O-N 3.38Å; Y127-M323 HydrophobicContact CD2-CB 3.83Å; Y127-M323 WeakPolarHBondContact CD2-O 3.36Å; Y127-M323 HydrophobicContact CE2-CB 4.18Å; Y127-M323 HydrophobicContact CG-CB 4.5Å; Y127-M325 HydrophobicContact CD1-CE 3.56Å; Y127-M325 HydrophobicContact CD2-CE 4.22Å; Y127-M325 HydrophobicContact CD2-CG 3.74Å; Y127-M325 HydrophobicContact CE1-CE 3.26Å; Y127-M325 HydrophobicContact CE1-CG 4.39Å; Y127-M325 HydrophobicContact CE2-CB 4.43Å; Y127-M325 HydrophobicContact CE2-CE 3.99Å; Y127-M325 HydrophobicContact CE2-CG 3.32Å; Y127-M325 HydrophobicContact CE2-SD 4.48Å; Y127-M325 HydrophobicContact CG-CE 4.03Å; Y127-M325 HydrophobicContact CG-CG 4.43Å; Y127-M325 VanDerWaalsContact CZ-CE 3.49Å |
| 128 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.9 | -69.6 | 167.5 | 0 | 0 | 0 | 112.6 | F67 I73 A124 T125 S130 G131 V133 L153 F156 | F67-L128 HydrophobicContact CD1-CD2 4.02Å; F67-L128 HydrophobicContact CD2-CD2 4.22Å; F67-L128 HydrophobicContact CE1-CD2 3.54Å; F67-L128 HydrophobicContact CE2-CD2 3.78Å; F67-L128 HydrophobicContact CG-CD2 4.33Å; F67-L128 HydrophobicContact CZ-CD2 3.4Å; I73-L128 HydrophobicContact CD1-CD1 4.39Å; I73-L128 HydrophobicContact CD1-CD2 3.89Å; I73-L128 HydrophobicContact CD1-CG 3.95Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.38Å; A124-L128 PolarHBondContact O-N 2.96Å; A124-L128 VanDerWaalsContact O-N 3.09Å; T125-L128 PolarHBondContact O-N 3.4Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.02Å; L128-G131 PolarHBondContact O-N 3.13Å; L128-G131 VanDerWaalsContact O-N 3.11Å; L128-V133 CarbonylContact C-O 3.55Å; L128-V133 HydrophobicContact CD2-CG1 4.43Å; L128-V133 PolarHBondContact O-N 3.34Å; L128-L153 HydrophobicContact CD1-CD2 3.84Å; L128-F156 HydrophobicContact CD1-CE1 3.78Å; L128-F156 HydrophobicContact CD1-CZ 4.33Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CD2-CZ 4.42Å; L128-F156 HydrophobicContact CG-CE1 4.43Å |
| 129 | H | 97 | Very high | 96.6 | Very high | 11 Ų | 11 | 9.9 Ų | 9.9 | 5% | 0.051 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.1 | -27.7 | -178.1 | -76.2 | -169.6 | 0 | 0 | 0 | 113.1 | T125 A126 Y127 E132 V133 K207 D210 | T125-H129 WeakPolarHBondContact CG2-CE1 3.34Å; T125-H129 WeakPolarHBondContact CG2-NE2 3.48Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-CD2 2.65Å; T125-H129 PolarHBondContact O-N 2.95Å; A126-H129 PolarHBondContact O-N 3.46Å; Y127-H129 PolarHBondContact O-N 2.89Å; H129-E132 PolarHBondContact O-N 2.85Å; H129-V133 PolarHBondContact CD2-O 3.37Å; H129-K207 HydrophobicContact CB-CD 4.03Å; H129-K207 HydrophobicContact CB-CG 4.4Å; H129-K207 PolarHBondContact CE1-O 3.31Å; H129-K207 WeakPolarHBondContact O-CE 3.5Å; H129-K207 PolarHBondContact O-NZ 3.44Å; H129-D210 IonicContact CD2-OD2 3.14Å; H129-D210 IonicContact CE1-OD2 2.65Å; H129-D210 IonicContact NE2-OD2 2.82Å; H129-D210 PolarHBondContact NE2-OD2 2.95Å |
| 130 | S | 96.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 9.6 Ų | 9.6 | 21% | 0.21 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -70.4 | -31.7 | 170.9 | 63.3 | 0 | 0 | 0 | 0 | 113 | A126 Y127 L128 E132 M325 | A126-S130 PolarHBondContact O-N 2.78Å; A126-S130 PolarHBondContact O-OG 3.34Å; Y127-S130 PolarHBondContact O-N 2.8Å; Y127-S130 PolarHBondContact O-OG 3.34Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.02Å; S130-E132 PolarHBondContact O-N 3.11Å; S130-M325 PolarHBondContact OG-N 3.32Å |
| 131 | G | 94.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 8.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y127 L128 V133 M325 H328 V329 | Y127-G131 PolarHBondContact O-N 3.38Å; L128-G131 PolarHBondContact O-N 3.13Å; L128-G131 VanDerWaalsContact O-N 3.11Å; G131-V133 PolarHBondContact O-N 3.17Å; G131-M325 WeakPolarHBondContact CA-SD 3.35Å; G131-H328 WeakPolarHBondContact O-CA 3.45Å; G131-V329 PolarHBondContact O-N 2.57Å |
| 132 | E | 94.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 12.5 Ų | 12.5 | 22% | 0.224 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 29.2 | -169.1 | -65.7 | -56.1 | 145 | 0 | 0 | 114.6 | H129 S130 S161 L162 K207 H328 | H129-E132 PolarHBondContact O-N 2.85Å; S130-E132 PolarHBondContact O-N 3.11Å; E132-S161 CarbonylContact O-C 3.54Å; E132-S161 WeakPolarHBondContact O-CA 3.38Å; E132-L162 HydrophobicContact CB-CB 4.29Å; E132-L162 PolarHBondContact O-N 2.9Å; E132-L162 WeakPolarHBondContact OE2-CD1 3.42Å; E132-K207 VanDerWaalsContact CD-CE 3.48Å; E132-K207 VanDerWaalsContact CD-NZ 3.29Å; E132-K207 WeakPolarHBondContact OE1-CE 3.18Å; E132-K207 IonicContact OE1-NZ 2.72Å; E132-K207 PolarHBondContact OE1-NZ 3.37Å; E132-K207 WeakPolarHBondContact OE2-CE 2.95Å; E132-K207 IonicContact OE2-NZ 3.94Å; E132-K207 PolarHBondContact OE2-NZ 2.99Å; E132-H328 WeakPolarHBondContact CG-ND1 3.32Å |
| 133 | V | 94.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.7 | 177 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | F63 F67 L128 H129 G131 A159 R160 V329 | F63-V133 HydrophobicContact CD1-CG1 4.1Å; F63-V133 HydrophobicContact CD1-CG2 4.15Å; F63-V133 HydrophobicContact CE1-CB 4.43Å; F63-V133 HydrophobicContact CE1-CG1 3.82Å; F63-V133 HydrophobicContact CE1-CG2 3.66Å; F63-V133 HydrophobicContact CZ-CG1 4.27Å; F67-V133 HydrophobicContact CE1-CG1 4.43Å; F67-V133 HydrophobicContact CE1-CG2 4.23Å; F67-V133 HydrophobicContact CZ-CG1 4.14Å; L128-V133 CarbonylContact C-O 3.55Å; L128-V133 HydrophobicContact CD2-CG1 4.43Å; L128-V133 PolarHBondContact O-N 3.34Å; H129-V133 PolarHBondContact CD2-O 3.37Å; G131-V133 PolarHBondContact O-N 3.17Å; V133-A159 HydrophobicContact CG1-CB 4.3Å; V133-R160 WeakPolarHBondContact CA-O 3.48Å; V133-V329 HydrophobicContact CG2-CB 3.73Å; V133-V329 HydrophobicContact CG2-CG1 4.28Å |
| 134 | I | 94.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.7 | 169.2 | 54.9 | 170.5 | 0 | 0 | 0 | 111.2 | R136 A159 R160 L162 K207 D210 | I134-R136 HydrophobicContact CB-CG 4.2Å; I134-R136 HydrophobicContact CD1-CG 3.71Å; I134-R136 HydrophobicContact CG1-CG 3.81Å; I134-A159 CarbonylContact O-C 3.56Å; I134-A159 WeakPolarHBondContact O-CA 3.49Å; I134-A159 WeakPolarHBondContact O-CB 3.28Å; I134-R160 HydrophobicContact CG1-CB 4.19Å; I134-R160 PolarHBondContact N-O 3.35Å; I134-R160 PolarHBondContact O-N 3Å; I134-L162 HydrophobicContact CD1-CD2 3.81Å; I134-L162 HydrophobicContact CG1-CD2 4.18Å; I134-L162 HydrophobicContact CG1-CG 4.49Å; I134-L162 HydrophobicContact CG2-CD1 4Å; I134-L162 HydrophobicContact CG2-CD2 4.34Å; I134-L162 HydrophobicContact CG2-CG 4.25Å; I134-K207 HydrophobicContact CG2-CG 4.36Å; I134-D210 VanDerWaalsContact CA-OD2 3.3Å; I134-D210 WeakPolarHBondContact CA-OD2 3.36Å |
| 135 | H | 94.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -82.8 | -39.6 | -175.2 | -165.8 | -65.5 | 0 | 0 | 0 | 112.4 | D137 Q138 C154 D155 F156 D210 | H135-D137 PolarHBondContact O-N 3.12Å; H135-Q138 HydrophobicContact CB-CG 3.75Å; H135-C154 PolarHBondContact CE1-O 2.98Å; H135-C154 PolarHBondContact NE2-O 2.95Å; H135-C154 VanDerWaalsContact NE2-O 3.17Å; H135-D155 PolarHBondContact CE1-O 2.85Å; H135-F156 AromaticContact CD2-CD1 3.62Å; H135-F156 AromaticContact CD2-CE1 3.35Å; H135-F156 WeakPolarHBondContact CD2-CE1 3.19Å; H135-F156 AromaticContact CD2-CZ 3.94Å; H135-F156 AromaticContact NE2-CD1 3.91Å; H135-F156 AromaticContact NE2-CE1 3.82Å; H135-D210 WeakPolarHBondContact CB-OD1 3.36Å; H135-D210 PolarHBondContact N-OD1 2.75Å; H135-D210 VanDerWaalsContact N-OD1 3.15Å; H135-D210 PolarHBondContact N-OD2 3.45Å | ||
| 136 | R | 93 | Very high | 96 | Very high | 38 Ų | 38 | 15.3 Ų | 15.3 | 14% | 0.143 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 62.6 | -6.7 | 176 | -48.9 | -168.2 | -58.9 | 161.9 | 1.8 | 117.8 | I134 L158 V209 D210 | I134-R136 HydrophobicContact CB-CG 4.2Å; I134-R136 HydrophobicContact CD1-CG 3.71Å; I134-R136 HydrophobicContact CG1-CG 3.81Å; R136-L158 VanDerWaalsContact CZ-O 3.28Å; R136-L158 PolarHBondContact NE-O 3.45Å; R136-L158 PolarHBondContact NH2-O 3.34Å; R136-V209 HydrophobicContact CB-CG1 4.31Å; R136-V209 HydrophobicContact CG-CG1 4.26Å; R136-D210 PolarHBondContact N-OD1 3.35Å |
| 137 | D | 93.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 18.8 Ų | 18.8 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | trans | -138.6 | 41.4 | 178.2 | -164.8 | 27 | 0 | 0 | 0 | 111.6 | H135 K139 N142 L158 | H135-D137 PolarHBondContact O-N 3.12Å; D137-K139 IonicContact OD1-NZ 2.67Å; D137-K139 PolarHBondContact OD1-NZ 2.91Å; D137-K139 IonicContact OD2-NZ 2.75Å; D137-K139 PolarHBondContact OD2-NZ 3.07Å; D137-N142 PolarHBondContact O-ND2 2.93Å; D137-L158 HydrophobicContact CB-CB 4.19Å; D137-L158 HydrophobicContact CB-CD1 3.91Å | ||
| 138 | Q | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -73.1 | 129 | 169.9 | -57.5 | -154.7 | 28.9 | 0 | 0 | 109.6 | T125 H135 L153 Y193 I217 | T125-Q138 PolarHBondContact OG1-NE2 2.93Å; H135-Q138 HydrophobicContact CB-CG 3.75Å; Q138-L153 HydrophobicContact CG-CD1 4.19Å; Q138-L153 HydrophobicContact CG-CD2 4.45Å; Q138-Y193 WeakPolarHBondContact O-CB 3.42Å; Q138-I217 HydrophobicContact CB-CD1 4.17Å | ||
| 139 | K | 96.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | trans | -163.7 | 160.7 | -178.4 | 57.4 | -172.3 | 170.3 | -144.2 | 0 | 110 | D137 S141 N142 Y193 | D137-K139 IonicContact OD1-NZ 2.67Å; D137-K139 PolarHBondContact OD1-NZ 2.91Å; D137-K139 IonicContact OD2-NZ 2.75Å; D137-K139 PolarHBondContact OD2-NZ 3.07Å; K139-S141 WeakPolarHBondContact CE-OG 3.34Å; K139-S141 WeakPolarHBondContact CG-OG 3.4Å; K139-S141 PolarHBondContact O-N 3.43Å; K139-N142 VanDerWaalsContact CE-CG 3.42Å; K139-N142 VanDerWaalsContact CE-ND2 3.34Å; K139-N142 WeakPolarHBondContact CE-ND2 3.35Å; K139-N142 WeakPolarHBondContact CE-OD1 3.28Å; K139-N142 HydrophobicContact CG-CB 4.08Å; K139-N142 WeakPolarHBondContact O-CA 3.21Å; K139-N142 PolarHBondContact O-N 3.28Å; K139-Y193 HydrophobicContact CB-CD1 4.47Å; K139-Y193 HydrophobicContact CB-CD2 3.36Å; K139-Y193 HydrophobicContact CB-CE2 3.67Å; K139-Y193 HydrophobicContact CB-CG 3.83Å | ||
| 140 | P | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -60.4 | -22.5 | -174 | -26.7 | 37.3 | 0 | 0 | 0 | 115.5 | L99 H100 I103 N142 Y193 I217 | L99-P140 HydrophobicContact CB-CB 4.21Å; L99-P140 WeakPolarHBondContact CB-O 3.35Å; L99-P140 HydrophobicContact CD2-CB 4.24Å; L99-P140 HydrophobicContact CG-CB 4.11Å; L99-P140 PolarHBondContact N-O 3.15Å; H100-P140 HydrophobicContact CB-CB 3.88Å; H100-P140 PolarHBondContact N-O 3.29Å; I103-P140 HydrophobicContact CD1-CB 4.41Å; P140-N142 VanDerWaalsContact C-N 3.28Å; P140-N142 PolarHBondContact O-N 3.48Å; P140-Y193 VanDerWaalsContact CD-CE1 3.42Å; P140-Y193 HydrophobicContact CG-CE1 3.98Å; P140-I217 HydrophobicContact CG-CG1 4.13Å |
| 141 | S | 94.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 38% | 0.378 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -72.6 | -20.1 | 172.6 | 62.6 | 0 | 0 | 0 | 0 | 114 | K139 | K139-S141 WeakPolarHBondContact CE-OG 3.34Å; K139-S141 WeakPolarHBondContact CG-OG 3.4Å; K139-S141 PolarHBondContact O-N 3.43Å |
| 142 | N | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -102.5 | 5.8 | -175.6 | -66.4 | 25.1 | 0 | 0 | 0 | 111.6 | D137 K139 P140 C154 | D137-N142 PolarHBondContact O-ND2 2.93Å; K139-N142 VanDerWaalsContact CE-CG 3.42Å; K139-N142 VanDerWaalsContact CE-ND2 3.34Å; K139-N142 WeakPolarHBondContact CE-ND2 3.35Å; K139-N142 WeakPolarHBondContact CE-OD1 3.28Å; K139-N142 HydrophobicContact CG-CB 4.08Å; K139-N142 WeakPolarHBondContact O-CA 3.21Å; K139-N142 PolarHBondContact O-N 3.28Å; P140-N142 VanDerWaalsContact C-N 3.28Å; P140-N142 PolarHBondContact O-N 3.48Å; N142-C154 PolarHBondContact O-N 2.89Å; N142-C154 PolarHBondContact O-SG 3.17Å; N142-C154 VanDerWaalsContact O-SG 3.35Å |
| 143 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 99.4 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | D98 L99 L121 V151 | D98-V143 CarbonylContact C-O 3.42Å; D98-V143 VanDerWaalsContact CA-O 3.31Å; D98-V143 WeakPolarHBondContact CA-O 3.4Å; L99-V143 HydrophobicContact CB-CB 3.85Å; L99-V143 HydrophobicContact CB-CG1 3.93Å; L99-V143 HydrophobicContact CD2-CB 4.18Å; L99-V143 HydrophobicContact CD2-CG1 4.01Å; L99-V143 HydrophobicContact CD2-CG2 4.48Å; L99-V143 PolarHBondContact N-O 3.04Å; L121-V143 HydrophobicContact CD1-CG1 4.34Å; L121-V143 HydrophobicContact CD1-CG2 4.24Å; L121-V143 HydrophobicContact CD2-CB 4.44Å; L121-V143 HydrophobicContact CD2-CG1 3.94Å; L121-V143 HydrophobicContact CD2-CG2 3.7Å; L121-V143 HydrophobicContact CG-CG1 4.43Å; V143-V151 HydrophobicContact CG1-CG1 3.96Å; V143-V151 HydrophobicContact CG1-CG2 4.4Å |
| 144 | L | 97.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 145.6 | -179.9 | -54.5 | 179.6 | 0 | 0 | 0 | 110.9 | V74 M95 D98 V151 K152 C154 | V74-L144 HydrophobicContact CG2-CD1 4.15Å; M95-L144 HydrophobicContact CB-CB 3.76Å; M95-L144 HydrophobicContact CB-CD1 4.33Å; M95-L144 HydrophobicContact CG-CB 3.79Å; M95-L144 HydrophobicContact CG-CD1 4.22Å; D98-L144 HydrophobicContact CB-CD2 4.36Å; L144-V151 CarbonylContact O-C 3.41Å; L144-V151 WeakPolarHBondContact O-CA 3.2Å; L144-K152 HydrophobicContact CB-CB 4.37Å; L144-K152 WeakPolarHBondContact CB-O 3.19Å; L144-K152 PolarHBondContact N-O 3.24Å; L144-K152 PolarHBondContact O-N 3.22Å; L144-C154 HydrophobicContact CD1-CB 3.95Å; L144-C154 HydrophobicContact CG-CB 4.24Å |
| 145 | L | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.1 | -175.1 | -68.1 | 170.9 | 0 | 0 | 0 | 111.8 | E96 T97 L99 V102 I117 L150 V151 | E96-L145 PolarHBondContact N-O 3.18Å; T97-L145 HydrophobicContact CG2-CB 3.87Å; T97-L145 PolarHBondContact N-O 3.37Å; T97-L145 VanDerWaalsContact N-O 3.11Å; T97-L145 PolarHBondContact O-N 3.29Å; T97-L145 VanDerWaalsContact O-O 3.14Å; L99-L145 HydrophobicContact CB-CD1 3.98Å; L99-L145 HydrophobicContact CD1-CD1 3.96Å; V102-L145 HydrophobicContact CB-CD1 4.33Å; V102-L145 HydrophobicContact CG2-CD1 3.89Å; I117-L145 HydrophobicContact CD1-CD1 4.31Å; I117-L145 HydrophobicContact CD1-CD2 4.1Å; I117-L145 HydrophobicContact CG1-CD2 4.08Å; L145-L150 WeakPolarHBondContact CA-O 3.4Å; L145-V151 HydrophobicContact CD2-CG2 3.62Å |
| 146 | N | 94.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | trans | -112.6 | 177.9 | 163.4 | 72.9 | 2.1 | 0 | 0 | 0 | 110.9 | M95 E96 Y148 C149 L150 | M95-N146 HydrophobicContact CE-CB 4.21Å; M95-N146 HydrophobicContact SD-CB 4.34Å; E96-N146 HydrophobicContact CG-CB 4.36Å; N146-Y148 PolarHBondContact O-N 2.8Å; N146-Y148 WeakPolarHBondContact OD1-CA 3.46Å; N146-Y148 PolarHBondContact OD1-N 3.16Å; N146-Y148 VanDerWaalsContact OD1-N 3.1Å; N146-C149 PolarHBondContact O-N 3.08Å; N146-C149 PolarHBondContact OD1-N 3.48Å; N146-L150 PolarHBondContact N-O 3.16Å; N146-L150 WeakPolarHBondContact OD1-CB 3.43Å; N146-L150 PolarHBondContact OD1-N 3.17Å | ||
| 147 | S | 91.5 | Very high | 95.4 | Very high | 79 Ų | 79 | 30.1 Ų | 30.1 | 55% | 0.552 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.7 | 177.9 | 41.8 | 0 | 0 | 0 | 0 | 114.2 | E96 C149 | E96-S147 VanDerWaalsContact CD-N 3.32Å; E96-S147 VanDerWaalsContact OE1-CB 3.31Å; E96-S147 WeakPolarHBondContact OE1-CB 3.35Å; E96-S147 PolarHBondContact OE1-N 2.9Å; E96-S147 PolarHBondContact OE1-OG 3.38Å; S147-C149 VanDerWaalsContact C-N 3.29Å; S147-C149 PolarHBondContact O-N 3.28Å |
| 148 | Y | 92.9 | Very high | 95.2 | Very high | 181 Ų | 181 | 32 Ų | 32 | 71% | 0.71 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 8.8 | 175.2 | -55.1 | -80.4 | 0 | 0 | 0 | 113.8 | N146 L150 | N146-Y148 PolarHBondContact O-N 2.8Å; N146-Y148 WeakPolarHBondContact OD1-CA 3.46Å; N146-Y148 PolarHBondContact OD1-N 3.16Å; N146-Y148 VanDerWaalsContact OD1-N 3.1Å; Y148-L150 PolarHBondContact O-N 3.11Å |
| 149 | C | 94.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | trans | 56.5 | 24.7 | -173.9 | -62.1 | 0 | 0 | 0 | 0 | 114.6 | Y116 Q120 N146 S147 V151 | Y116-C149 HydrophobicContact CD1-CB 4.43Å; Q120-C149 PolarHBondContact NE2-O 3.39Å; N146-C149 PolarHBondContact O-N 3.08Å; N146-C149 PolarHBondContact OD1-N 3.48Å; S147-C149 VanDerWaalsContact C-N 3.29Å; S147-C149 PolarHBondContact O-N 3.28Å; C149-V151 PolarHBondContact O-N 3.01Å | ||
| 150 | L | 97.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 37% | 0.372 | 17% | 0.17 | S | C | . | . | trans | -71.2 | 129.5 | 169.1 | -61.2 | -178.9 | 0 | 0 | 0 | 109.5 | M95 Y116 L145 N146 Y148 | M95-L150 WeakPolarHBondContact CE-O 3.44Å; Y116-L150 HydrophobicContact CE1-CD2 4.23Å; Y116-L150 WeakPolarHBondContact OH-CD2 3.42Å; L145-L150 WeakPolarHBondContact CA-O 3.4Å; N146-L150 PolarHBondContact N-O 3.16Å; N146-L150 WeakPolarHBondContact OD1-CB 3.43Å; N146-L150 PolarHBondContact OD1-N 3.17Å; Y148-L150 PolarHBondContact O-N 3.11Å | ||
| 151 | V | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139 | -175.7 | 164.9 | 0 | 0 | 0 | 0 | 111.2 | N72 I117 Q120 L121 V143 L144 L145 C149 | N72-V151 VanDerWaalsContact CA-O 3.25Å; N72-V151 WeakPolarHBondContact CA-O 3.49Å; N72-V151 WeakPolarHBondContact CB-O 3.37Å; N72-V151 PolarHBondContact ND2-O 3.48Å; I117-V151 HydrophobicContact CB-CG2 4.05Å; I117-V151 HydrophobicContact CG1-CG2 3.94Å; I117-V151 HydrophobicContact CG2-CG2 3.81Å; Q120-V151 HydrophobicContact CB-CB 3.7Å; Q120-V151 HydrophobicContact CB-CG1 4.26Å; Q120-V151 HydrophobicContact CB-CG2 4.05Å; Q120-V151 HydrophobicContact CG-CB 4.47Å; L121-V151 HydrophobicContact CD2-CG1 3.74Å; L121-V151 HydrophobicContact CG-CG1 4.04Å; V143-V151 HydrophobicContact CG1-CG1 3.96Å; V143-V151 HydrophobicContact CG1-CG2 4.4Å; L144-V151 CarbonylContact O-C 3.41Å; L144-V151 WeakPolarHBondContact O-CA 3.2Å; L145-V151 HydrophobicContact CD2-CG2 3.62Å; C149-V151 PolarHBondContact O-N 3.01Å |
| 152 | K | 98.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 12% | 0.122 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.9 | 163.7 | -72.7 | 174.5 | 176.6 | -79.3 | 0 | 112 | P71 N72 I73 V74 E93 M95 L144 | P71-K152 WeakPolarHBondContact O-CE 3.39Å; P71-K152 PolarHBondContact O-NZ 2.94Å; N72-K152 WeakPolarHBondContact O-CA 3.36Å; I73-K152 PolarHBondContact O-NZ 3.49Å; V74-K152 HydrophobicContact CB-CB 4.45Å; E93-K152 VanDerWaalsContact CD-CD 3.44Å; E93-K152 HydrophobicContact CG-CD 4.1Å; E93-K152 VanDerWaalsContact OE1-CD 3.25Å; E93-K152 WeakPolarHBondContact OE1-CD 3.45Å; E93-K152 WeakPolarHBondContact OE1-CE 3.26Å; E93-K152 IonicContact OE1-NZ 3.97Å; E93-K152 PolarHBondContact OE1-NZ 3.16Å; E93-K152 WeakPolarHBondContact OE2-CE 3.39Å; E93-K152 IonicContact OE2-NZ 3.84Å; E93-K152 PolarHBondContact OE2-NZ 3.31Å; M95-K152 HydrophobicContact CE-CB 4.21Å; M95-K152 HydrophobicContact CE-CD 3.97Å; M95-K152 HydrophobicContact CE-CG 4.05Å; M95-K152 HydrophobicContact CG-CD 4.17Å; M95-K152 HydrophobicContact SD-CD 3.82Å; L144-K152 HydrophobicContact CB-CB 4.37Å; L144-K152 WeakPolarHBondContact CB-O 3.19Å; L144-K152 PolarHBondContact N-O 3.24Å; L144-K152 PolarHBondContact O-N 3.22Å |
| 153 | L | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.5 | 174.5 | -175.2 | 61.1 | 0 | 0 | 0 | 110.8 | N72 V74 A124 L128 Q138 F156 | N72-L153 PolarHBondContact O-N 3.5Å; V74-L153 PolarHBondContact N-O 3.05Å; A124-L153 HydrophobicContact CB-CB 4.41Å; A124-L153 HydrophobicContact CB-CD2 4.4Å; L128-L153 HydrophobicContact CD1-CD2 3.84Å; Q138-L153 HydrophobicContact CG-CD1 4.19Å; Q138-L153 HydrophobicContact CG-CD2 4.45Å; L153-F156 HydrophobicContact CG-CZ 4.43Å |
| 154 | C | 95.8 | Very high | 90.9 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | trans | -142.1 | 172.9 | -176.2 | 75.5 | 0 | 0 | 0 | 0 | 114 | V74 H135 N142 L144 | V74-C154 HydrophobicContact CB-CB 4.08Å; V74-C154 HydrophobicContact CG1-CB 3.54Å; H135-C154 PolarHBondContact CE1-O 2.98Å; H135-C154 PolarHBondContact NE2-O 2.95Å; H135-C154 VanDerWaalsContact NE2-O 3.17Å; N142-C154 PolarHBondContact O-N 2.89Å; N142-C154 PolarHBondContact O-SG 3.17Å; N142-C154 VanDerWaalsContact O-SG 3.35Å; L144-C154 HydrophobicContact CD1-CB 3.95Å; L144-C154 HydrophobicContact CG-CB 4.24Å | ||
| 155 | D | 92.4 | Very high | 89 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | trans | 65.1 | 70.1 | -178.1 | -169 | 11.7 | 0 | 0 | 0 | 114.8 | H135 G157 | H135-D155 PolarHBondContact CE1-O 2.85Å; D155-G157 PolarHBondContact O-N 2.88Å; D155-G157 PolarHBondContact OD1-N 2.89Å | ||
| 156 | F | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -79.3 | 12.3 | 174.1 | -63.6 | -87.9 | 0 | 0 | 0 | 113.5 | F63 L64 F67 I73 L128 H135 L153 L158 A159 | F63-F156 HydrophobicContact CB-CB 4.34Å; L64-F156 HydrophobicContact CD2-CD2 3.59Å; L64-F156 HydrophobicContact CD2-CE2 3.79Å; L64-F156 HydrophobicContact CG-CD2 3.99Å; F67-F156 HydrophobicContact CD2-CE1 4.22Å; F67-F156 HydrophobicContact CD2-CE2 4.38Å; F67-F156 HydrophobicContact CD2-CZ 4.15Å; F67-F156 AromaticContact CE2-CD1 3.46Å; F67-F156 HydrophobicContact CE2-CD1 3.46Å; F67-F156 VanDerWaalsContact CE2-CD1 3.46Å; F67-F156 HydrophobicContact CE2-CD2 4.13Å; F67-F156 AromaticContact CE2-CE1 3.43Å; F67-F156 HydrophobicContact CE2-CE1 3.43Å; F67-F156 VanDerWaalsContact CE2-CE1 3.43Å; F67-F156 HydrophobicContact CE2-CE2 4.13Å; F67-F156 AromaticContact CE2-CG 3.81Å; F67-F156 HydrophobicContact CE2-CG 3.81Å; F67-F156 AromaticContact CE2-CZ 3.79Å; F67-F156 HydrophobicContact CE2-CZ 3.79Å; F67-F156 AromaticContact CZ-CD1 3.98Å; F67-F156 HydrophobicContact CZ-CD1 3.98Å; F67-F156 HydrophobicContact CZ-CE1 4.04Å; I73-F156 HydrophobicContact CD1-CZ 4.47Å; I73-F156 HydrophobicContact CG1-CZ 4.41Å; I73-F156 HydrophobicContact CG2-CE2 3.83Å; I73-F156 HydrophobicContact CG2-CZ 3.8Å; L128-F156 HydrophobicContact CD1-CE1 3.78Å; L128-F156 HydrophobicContact CD1-CZ 4.33Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CD2-CZ 4.42Å; L128-F156 HydrophobicContact CG-CE1 4.43Å; H135-F156 AromaticContact CD2-CD1 3.62Å; H135-F156 AromaticContact CD2-CE1 3.35Å; H135-F156 WeakPolarHBondContact CD2-CE1 3.19Å; H135-F156 AromaticContact CD2-CZ 3.94Å; H135-F156 AromaticContact NE2-CD1 3.91Å; H135-F156 AromaticContact NE2-CE1 3.82Å; L153-F156 HydrophobicContact CG-CZ 4.43Å; F156-L158 PolarHBondContact O-N 3.23Å; F156-A159 HydrophobicContact CB-CB 4.21Å; F156-A159 HydrophobicContact CD1-CB 4.28Å; F156-A159 WeakPolarHBondContact O-CB 3.33Å; F156-A159 PolarHBondContact O-N 3.1Å |
| 157 | G | 88.1 | Confident | 84.8 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -60.1 | -19.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R59 D155 | R59-G157 VanDerWaalsContact CZ-O 3.25Å; R59-G157 PolarHBondContact NE-O 3.46Å; R59-G157 PolarHBondContact NH2-O 3.33Å; D155-G157 PolarHBondContact O-N 2.88Å; D155-G157 PolarHBondContact OD1-N 2.89Å |
| 158 | L | 88 | Confident | 82.8 | Confident | 52 Ų | 52 | 50 Ų | 50 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -111.8 | 3.7 | 176.6 | -65.7 | -179.7 | 0 | 0 | 0 | 115 | R136 D137 F156 | R136-L158 VanDerWaalsContact CZ-O 3.28Å; R136-L158 PolarHBondContact NE-O 3.45Å; R136-L158 PolarHBondContact NH2-O 3.34Å; D137-L158 HydrophobicContact CB-CB 4.19Å; D137-L158 HydrophobicContact CB-CD1 3.91Å; F156-L158 PolarHBondContact O-N 3.23Å |
| 159 | A | 91.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -60.7 | 165.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R59 F63 V133 I134 F156 | R59-A159 VanDerWaalsContact CD-O 3.3Å; R59-A159 WeakPolarHBondContact CD-O 3.48Å; F63-A159 HydrophobicContact CD2-CB 3.83Å; F63-A159 HydrophobicContact CE2-CB 3.88Å; F63-A159 HydrophobicContact CG-CB 4.48Å; V133-A159 HydrophobicContact CG1-CB 4.3Å; I134-A159 CarbonylContact O-C 3.56Å; I134-A159 WeakPolarHBondContact O-CA 3.49Å; I134-A159 WeakPolarHBondContact O-CB 3.28Å; F156-A159 HydrophobicContact CB-CB 4.21Å; F156-A159 HydrophobicContact CD1-CB 4.28Å; F156-A159 WeakPolarHBondContact O-CB 3.33Å; F156-A159 PolarHBondContact O-N 3.1Å | ||
| 160 | R | 89.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 6% | 0.064 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 147.3 | 171.2 | -81 | -62 | 179.3 | -83.9 | 19.7 | 111 | R59 V133 I134 D335 | R59-R160 VanDerWaalsContact NH1-NH1 3.14Å; R59-R160 VanDerWaalsContact NH1-NH2 3.15Å; V133-R160 WeakPolarHBondContact CA-O 3.48Å; I134-R160 HydrophobicContact CG1-CB 4.19Å; I134-R160 PolarHBondContact N-O 3.35Å; I134-R160 PolarHBondContact O-N 3Å; R160-D335 VanDerWaalsContact CD-OD2 3.24Å; R160-D335 WeakPolarHBondContact CD-OD2 3.44Å; R160-D335 IonicContact CZ-OD1 2.74Å; R160-D335 IonicContact CZ-OD2 2.71Å; R160-D335 IonicContact NE-OD1 2.77Å; R160-D335 IonicContact NE-OD2 3.06Å; R160-D335 IonicContact NH1-OD1 2.73Å; R160-D335 PolarHBondContact NH1-OD1 2.98Å; R160-D335 IonicContact NH1-OD2 3.61Å; R160-D335 PolarHBondContact NH1-OD2 2.84Å; R160-D335 PolarHBondContact NH2-O 2.67Å; R160-D335 IonicContact NH2-OD1 3.81Å; R160-D335 PolarHBondContact NH2-OD1 3.48Å; R160-D335 VanDerWaalsContact NH2-OD1 3.12Å |
| 161 | S | 89.2 | Confident | 75.8 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 144.2 | 158.4 | -163 | 0 | 0 | 0 | 0 | 109.3 | E132 V329 | E132-S161 CarbonylContact O-C 3.54Å; E132-S161 WeakPolarHBondContact O-CA 3.38Å; S161-V329 VanDerWaalsContact CB-O 3.27Å; S161-V329 WeakPolarHBondContact CB-O 3.25Å; S161-V329 PolarHBondContact OG-O 3.43Å |
| 162 | L | 86.2 | Confident | 73.2 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -82.1 | -26.9 | 172.9 | -66.2 | 172.4 | 0 | 0 | 0 | 111.5 | E132 I134 Y205 K207 | E132-L162 HydrophobicContact CB-CB 4.29Å; E132-L162 PolarHBondContact O-N 2.9Å; E132-L162 WeakPolarHBondContact OE2-CD1 3.42Å; I134-L162 HydrophobicContact CD1-CD2 3.81Å; I134-L162 HydrophobicContact CG1-CD2 4.18Å; I134-L162 HydrophobicContact CG1-CG 4.49Å; I134-L162 HydrophobicContact CG2-CD1 4Å; I134-L162 HydrophobicContact CG2-CD2 4.34Å; I134-L162 HydrophobicContact CG2-CG 4.25Å; L162-Y205 VanDerWaalsContact CD2-O 3.27Å; L162-Y205 WeakPolarHBondContact CD2-O 3.33Å; L162-K207 HydrophobicContact CD1-CG 3.71Å |
| 163 | K | 73.1 | Confident | 70.6 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 145 | 178.7 | -162.4 | 162.8 | -170.4 | 167.2 | 0 | 111.1 | R165 H328 | K163-R165 PolarHBondContact O-N 3.26Å; K163-H328 HydrophobicContact CD-CB 4.1Å; K163-H328 PolarHBondContact NZ-CD2 3.43Å; K163-H328 PolarHBondContact NZ-NE2 2.89Å |
| 164 | G | 60.4 | Low | 67.9 | Low | 36 Ų | 36 | 71.1 Ų | 71.1 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -10 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | N166 K167 | G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.93Å; G164-K167 WeakPolarHBondContact O-CB 3.2Å; G164-K167 PolarHBondContact O-N 3.29Å |
| 165 | R | 58.9 | Low | 65.5 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -60.3 | -35.7 | -177.6 | -63.2 | -177.2 | 63.4 | 64.8 | -0.1 | 113.4 | K163 K167 Y168 H203 N336 | K163-R165 PolarHBondContact O-N 3.26Å; R165-K167 PolarHBondContact O-N 3.02Å; R165-K167 VanDerWaalsContact O-N 3.17Å; R165-Y168 PolarHBondContact O-N 3.47Å; R165-H203 PolarHBondContact NH2-O 3.46Å; R165-N336 PolarHBondContact NH1-OD1 3.1Å; R165-N336 VanDerWaalsContact NH1-OD1 3.1Å |
| 166 | N | 51.9 | Low | 63 | Low | 122 Ų | 122 | 74.4 Ų | 74.4 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -65 | -16.3 | -179.4 | -54.9 | 34.5 | 0 | 0 | 0 | 113.5 | G164 Y168 E169 | G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.93Å; N166-Y168 PolarHBondContact O-N 2.78Å; N166-E169 PolarHBondContact O-N 3.08Å |
| 167 | K | 50.7 | Low | 60.4 | Low | 175 Ų | 175 | 77.9 Ų | 77.9 | 76% | 0.761 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -63.5 | -11.2 | 177.9 | -72.3 | -161.9 | 171.8 | -163.7 | 0 | 114.3 | G164 R165 | G164-K167 WeakPolarHBondContact O-CB 3.2Å; G164-K167 PolarHBondContact O-N 3.29Å; R165-K167 PolarHBondContact O-N 3.02Å; R165-K167 VanDerWaalsContact O-N 3.17Å |
| 168 | Y | 50.7 | Low | 58.2 | Low | 65 Ų | 65 | 86.2 Ų | 86.2 | 26% | 0.255 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -117.7 | 10.8 | 178.9 | -57.8 | -69.4 | 0 | 0 | 0 | 113.9 | R165 N166 N170 L175 D334 N336 | R165-Y168 PolarHBondContact O-N 3.47Å; N166-Y168 PolarHBondContact O-N 2.78Å; Y168-N170 PolarHBondContact O-N 2.93Å; Y168-L175 WeakPolarHBondContact O-CD2 3.42Å; Y168-D334 WeakPolarHBondContact CE2-OD2 3.3Å; Y168-D334 VanDerWaalsContact CZ-OD2 3.31Å; Y168-D334 PolarHBondContact OH-OD2 2.8Å; Y168-N336 HydrophobicContact CD2-CB 4.13Å; Y168-N336 HydrophobicContact CE2-CB 4.01Å |
| 169 | E | 49.3 | Very low | 56.2 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 50% | 0.495 | 45% | 0.449 | S | S | . | . | trans | -74.5 | 71.9 | 162.6 | -69.7 | -172.8 | 143.2 | 0 | 0 | 108.7 | N166 V171 | N166-E169 PolarHBondContact O-N 3.08Å; E169-V171 PolarHBondContact O-N 3.3Å | ||
| 170 | N | 41.4 | Very low | 54 | Low | 94 Ų | 94 | 87.5 Ų | 87.5 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | trans | -54.4 | 138.3 | 178.5 | -78.5 | -12.7 | 0 | 0 | 0 | 110.7 | Y168 N172 G173 | Y168-N170 PolarHBondContact O-N 2.93Å; N170-N172 PolarHBondContact O-N 3.25Å; N170-G173 PolarHBondContact O-N 3.46Å | ||
| 171 | V | 45.2 | Very low | 51.9 | Low | 147 Ų | 147 | 89.9 Ų | 89.9 | 89% | 0.891 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -26.1 | -176.1 | -175.8 | 0 | 0 | 0 | 0 | 114.2 | E169 | E169-V171 PolarHBondContact O-N 3.3Š|
| 172 | N | 44.6 | Very low | 49.7 | Very low | 148 Ų | 148 | 91.8 Ų | 91.8 | 79% | 0.791 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 15.7 | -178.7 | -57.8 | -6.5 | 0 | 0 | 0 | 113.9 | N170 K174 | N170-N172 PolarHBondContact O-N 3.25Å; N172-K174 PolarHBondContact O-N 2.84Å |
| 173 | G | 43.2 | Very low | 47.6 | Very low | 69 Ų | 69 | 91.7 Ų | 91.7 | 71% | 0.711 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 66.2 | -6.2 | 175 | 0 | 0 | 0 | 0 | 0 | 116.8 | N170 L175 | N170-G173 PolarHBondContact O-N 3.46Å; G173-L175 PolarHBondContact O-N 3.3Å |
| 174 | K | 42.6 | Very low | 46.2 | Very low | 183 Ų | 183 | 89.6 Ų | 89.6 | 80% | 0.796 | 49% | 0.485 | S | S | * | . | trans | -95.7 | 79.7 | -168.9 | -159.1 | 169.7 | -171.3 | 171.8 | 0 | 111.6 | N172 | N172-K174 PolarHBondContact O-N 2.84Š| ||
| 175 | L | 45.1 | Very low | 45.5 | Very low | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | trans | -53.2 | 141.9 | 177.2 | -71.9 | 169.1 | 0 | 0 | 0 | 112.8 | Y168 G173 C177 | Y168-L175 WeakPolarHBondContact O-CD2 3.42Å; G173-L175 PolarHBondContact O-N 3.3Å; L175-C177 PolarHBondContact O-N 2.67Å | ||
| 176 | N | 40 | Very low | 45 | Very low | 76 Ų | 76 | 95.1 Ų | 95.1 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | trans | -75.5 | 64 | 177.7 | 59.3 | -6 | 0 | 0 | 0 | 112.1 | K178 T179 | N176-K178 PolarHBondContact O-N 3.3Å; N176-T179 PolarHBondContact O-N 3.31Å | ||
| 177 | C | 38.4 | Very low | 44.9 | Very low | 74 Ų | 74 | 92 Ų | 92 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -49.1 | -25.8 | -164 | 73.2 | 0 | 0 | 0 | 0 | 116.6 | L175 T179 L180 L181 | L175-C177 PolarHBondContact O-N 2.67Å; C177-T179 VanDerWaalsContact C-N 3.26Å; C177-T179 PolarHBondContact O-N 3.24Å; C177-L180 PolarHBondContact O-N 3.35Å; C177-L181 HydrophobicContact CB-CD1 4.25Å; C177-L181 WeakPolarHBondContact O-CB 3.39Å; C177-L181 WeakPolarHBondContact O-CD1 3.46Å; C177-L181 PolarHBondContact O-N 2.8Å |
| 178 | K | 41.5 | Very low | 44.7 | Very low | 181 Ų | 181 | 87.5 Ų | 87.5 | 79% | 0.787 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -51.6 | -37.4 | 178.1 | -75.6 | 175.9 | 177.5 | 167.4 | 0 | 113.6 | N176 | N176-K178 PolarHBondContact O-N 3.3Š|
| 179 | T | 45.7 | Very low | 45.1 | Very low | 32 Ų | 32 | 86.3 Ų | 86.3 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -89.7 | -11.8 | -171.6 | -14.1 | 0 | 0 | 0 | 0 | 115.1 | N176 C177 N336 Q338 | N176-T179 PolarHBondContact O-N 3.31Å; C177-T179 VanDerWaalsContact C-N 3.26Å; C177-T179 PolarHBondContact O-N 3.24Å; T179-N336 WeakPolarHBondContact CB-O 3.19Å; T179-N336 WeakPolarHBondContact CG2-O 3.4Å; T179-Q338 HydrophobicContact CG2-CB 3.94Å |
| 180 | L | 47 | Very low | 46.3 | Very low | 47 Ų | 47 | 84 Ų | 84 | 25% | 0.246 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -13.4 | 174.1 | -72.1 | 174.2 | 0 | 0 | 0 | 114 | C177 P182 | C177-L180 PolarHBondContact O-N 3.35Å; L180-P182 WeakPolarHBondContact O-CD 3.3Å |
| 181 | L | 44.6 | Very low | 48.6 | Very low | 66 Ų | 66 | 81 Ų | 81 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -62.8 | -16.2 | 177.3 | -115.9 | 68.9 | 0 | 0 | 0 | 118.5 | C177 A183 L184 T185 | C177-L181 HydrophobicContact CB-CD1 4.25Å; C177-L181 WeakPolarHBondContact O-CB 3.39Å; C177-L181 WeakPolarHBondContact O-CD1 3.46Å; C177-L181 PolarHBondContact O-N 2.8Å; L181-A183 PolarHBondContact O-N 2.95Å; L181-L184 HydrophobicContact CD1-CD1 4.09Å; L181-L184 HydrophobicContact CG-CD1 4.16Å; L181-L184 PolarHBondContact O-N 3.45Å; L181-T185 PolarHBondContact O-N 3.08Å |
| 182 | P | 43.7 | Very low | 51 | Low | 49 Ų | 49 | 77.7 Ų | 77.7 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -59.7 | -10.1 | 179.6 | -28.6 | 36.9 | 0 | 0 | 0 | 116.4 | L180 T185 | L180-P182 WeakPolarHBondContact O-CD 3.3Å; P182-T185 PolarHBondContact O-OG1 3.23Å |
| 183 | A | 42.6 | Very low | 53.4 | Low | 33 Ų | 33 | 71.3 Ų | 71.3 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -80.8 | -26.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L181 | L181-A183 PolarHBondContact O-N 2.95Š|
| 184 | L | 43.1 | Very low | 55.8 | Low | 75 Ų | 75 | 70.2 Ų | 70.2 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -34.6 | 179.7 | -87.2 | 170.5 | 0 | 0 | 0 | 112.9 | L181 E186 A201 Y259 | L181-L184 HydrophobicContact CD1-CD1 4.09Å; L181-L184 HydrophobicContact CG-CD1 4.16Å; L181-L184 PolarHBondContact O-N 3.45Å; L184-E186 PolarHBondContact O-N 3.49Å; L184-A201 HydrophobicContact CD1-CB 3.65Å; L184-A201 HydrophobicContact CD2-CB 3.53Å; L184-A201 HydrophobicContact CG-CB 3.45Å; L184-A201 VanDerWaalsContact CG-CB 3.45Å; L184-Y259 HydrophobicContact CD1-CE2 4.23Å |
| 185 | T | 45.8 | Very low | 58.2 | Low | 65 Ų | 65 | 61.5 Ų | 61.5 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -60.4 | 129.5 | 172.2 | 48 | 0 | 0 | 0 | 0 | 110 | L181 P182 Y187 | L181-T185 PolarHBondContact O-N 3.08Å; P182-T185 PolarHBondContact O-OG1 3.23Å; T185-Y187 VanDerWaalsContact C-N 3.29Å; T185-Y187 PolarHBondContact O-N 3.09Å |
| 186 | E | 48.2 | Very low | 60.4 | Low | 124 Ų | 124 | 58.6 Ų | 58.6 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | trans | -69.1 | 80.7 | -173.6 | -169.2 | 170.8 | -163.6 | 0 | 0 | 112.5 | L184 R191 Q948 | L184-E186 PolarHBondContact O-N 3.49Å; E186-R191 IonicContact OE1-CZ 3.5Å; E186-R191 IonicContact OE1-NH2 2.7Å; E186-R191 PolarHBondContact OE1-NH2 2.72Å; E186-Q948 PolarHBondContact O-NE2 3.2Å; E186-Q948 VanDerWaalsContact O-NE2 3.17Å | ||
| 187 | Y | 50.4 | Low | 62.7 | Low | 57 Ų | 57 | 55.1 Ų | 55.1 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -69.1 | 126.3 | 160.4 | -81.5 | -79.5 | 0 | 0 | 0 | 108.9 | R56 T185 A189 | R56-Y187 VanDerWaalsContact NH2-CE1 3.34Å; R56-Y187 VanDerWaalsContact NH2-CE2 3.25Å; T185-Y187 VanDerWaalsContact C-N 3.29Å; T185-Y187 PolarHBondContact O-N 3.09Å; Y187-A189 PolarHBondContact O-N 3.22Å | ||
| 188 | V | 45.5 | Very low | 65.1 | Low | 81 Ų | 81 | 52.3 Ų | 52.3 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -56.5 | 2.7 | -175.6 | -156.1 | 0 | 0 | 0 | 0 | 115 | N944 | V188-N944 WeakPolarHBondContact CG1-ND2 3.47Å; V188-N944 HydrophobicContact CG2-CB 3.62Å |
| 189 | A | 59.4 | Low | 67.2 | Low | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -74 | 133.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y187 R191 R194 | Y187-A189 PolarHBondContact O-N 3.22Å; A189-R191 PolarHBondContact O-N 3.16Å; A189-R191 VanDerWaalsContact O-N 3.17Å; A189-R194 PolarHBondContact O-NH2 3.47Å |
| 190 | T | 73.3 | Confident | 69 | Low | 57 Ų | 57 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | trans | -40.9 | 114.1 | 178.8 | -48.8 | 0 | 0 | 0 | 0 | 113.3 | W192 Y193 | T190-W192 VanDerWaalsContact C-N 3.3Å; T190-W192 HydrophobicContact CG2-CB 3.92Å; T190-W192 HydrophobicContact CG2-CD2 3.22Å; T190-W192 HydrophobicContact CG2-CE3 3.31Å; T190-W192 HydrophobicContact CG2-CG 3.49Å; T190-W192 VanDerWaalsContact CG2-CG 3.49Å; T190-W192 HydrophobicContact CG2-CH2 4.48Å; T190-W192 HydrophobicContact CG2-CZ2 4.43Å; T190-W192 HydrophobicContact CG2-CZ3 3.95Å; T190-W192 PolarHBondContact O-N 2.92Å; T190-Y193 HydrophobicContact CG2-CD2 4.32Å; T190-Y193 HydrophobicContact CG2-CE2 3.74Å | ||
| 191 | R | 90 | Very high | 70.4 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | trans | -80 | -6.9 | -178.6 | 63.9 | 172.6 | 64.4 | 81.4 | -6.1 | 114.9 | E186 A189 Y193 R194 L199 G230 T231 S232 Q236 | E186-R191 IonicContact OE1-CZ 3.5Å; E186-R191 IonicContact OE1-NH2 2.7Å; E186-R191 PolarHBondContact OE1-NH2 2.72Å; A189-R191 PolarHBondContact O-N 3.16Å; A189-R191 VanDerWaalsContact O-N 3.17Å; R191-Y193 PolarHBondContact O-N 3.34Å; R191-Y193 VanDerWaalsContact O-N 3.15Å; R191-R194 WeakPolarHBondContact O-CB 3.4Å; R191-R194 PolarHBondContact O-N 3.18Å; R191-R194 VanDerWaalsContact O-N 3.07Å; R191-L199 HydrophobicContact CB-CD2 4.36Å; R191-G230 PolarHBondContact NH1-O 3.49Å; R191-T231 PolarHBondContact NH1-O 2.83Å; R191-S232 VanDerWaalsContact CD-O 3.26Å; R191-S232 WeakPolarHBondContact CD-O 3.5Å; R191-Q236 HydrophobicContact CG-CB 4.29Å; R191-Q236 HydrophobicContact CG-CG 4.21Å | ||
| 192 | W | 95.3 | Very high | 71.9 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 30% | 0.295 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26 | -166.1 | -53.9 | -20.3 | 0 | 0 | 0 | 115 | T190 P226 F228 P229 G230 Q236 | T190-W192 VanDerWaalsContact C-N 3.3Å; T190-W192 HydrophobicContact CG2-CB 3.92Å; T190-W192 HydrophobicContact CG2-CD2 3.22Å; T190-W192 HydrophobicContact CG2-CE3 3.31Å; T190-W192 HydrophobicContact CG2-CG 3.49Å; T190-W192 VanDerWaalsContact CG2-CG 3.49Å; T190-W192 HydrophobicContact CG2-CH2 4.48Å; T190-W192 HydrophobicContact CG2-CZ2 4.43Å; T190-W192 HydrophobicContact CG2-CZ3 3.95Å; T190-W192 PolarHBondContact O-N 2.92Å; W192-P226 HydrophobicContact CD2-CB 4.29Å; W192-P226 HydrophobicContact CE3-CB 3.57Å; W192-P226 HydrophobicContact CE3-CG 3.59Å; W192-P226 HydrophobicContact CZ3-CB 4.03Å; W192-P226 HydrophobicContact CZ3-CG 3.51Å; W192-F228 WeakPolarHBondContact CA-O 3.3Å; W192-F228 WeakPolarHBondContact CB-O 3.26Å; W192-P229 HydrophobicContact CD2-CB 4.3Å; W192-P229 HydrophobicContact CZ2-CB 4.34Å; W192-G230 PolarHBondContact NE1-O 2.8Å; W192-G230 VanDerWaalsContact NE1-O 3.13Å; W192-Q236 PolarHBondContact O-NE2 3.41Å |
| 193 | Y | 96.3 | Very high | 73 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -3.5 | -178.6 | -42.3 | -81.6 | 0 | 0 | 0 | 112.9 | Q138 K139 P140 T190 R191 S213 C216 I217 E220 | Q138-Y193 WeakPolarHBondContact O-CB 3.42Å; K139-Y193 HydrophobicContact CB-CD1 4.47Å; K139-Y193 HydrophobicContact CB-CD2 3.36Å; K139-Y193 HydrophobicContact CB-CE2 3.67Å; K139-Y193 HydrophobicContact CB-CG 3.83Å; P140-Y193 VanDerWaalsContact CD-CE1 3.42Å; P140-Y193 HydrophobicContact CG-CE1 3.98Å; T190-Y193 HydrophobicContact CG2-CD2 4.32Å; T190-Y193 HydrophobicContact CG2-CE2 3.74Å; R191-Y193 PolarHBondContact O-N 3.34Å; R191-Y193 VanDerWaalsContact O-N 3.15Å; Y193-S213 PolarHBondContact O-OG 3.37Å; Y193-C216 HydrophobicContact CD1-CB 3.82Å; Y193-I217 HydrophobicContact CD1-CG1 4.33Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.5Å; Y193-E220 VanDerWaalsContact CZ-OE2 3.27Å; Y193-E220 PolarHBondContact OH-OE2 3.48Å |
| 194 | R | 93.7 | Very high | 74.4 | Confident | 47 Ų | 47 | 40 Ų | 40 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | trans | -74.7 | 135.9 | -178 | -60.5 | -174.8 | -163.5 | -179.5 | 11.4 | 110.4 | A189 R191 I198 L199 W212 | A189-R194 PolarHBondContact O-NH2 3.47Å; R191-R194 WeakPolarHBondContact O-CB 3.4Å; R191-R194 PolarHBondContact O-N 3.18Å; R191-R194 VanDerWaalsContact O-N 3.07Å; R194-I198 HydrophobicContact CB-CB 4.37Å; R194-I198 HydrophobicContact CB-CG2 3.97Å; R194-I198 HydrophobicContact CG-CG2 4.25Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CB-CG 4Å; R194-L199 WeakPolarHBondContact O-CD1 3.5Å; R194-W212 PolarHBondContact O-NE1 2.98Å | ||
| 195 | A | 93.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -67.9 | 154.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E197 I198 L199 V209 W212 | A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 VanDerWaalsContact CB-OE1 3.27Å; A195-E197 WeakPolarHBondContact CB-OE1 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.33Å; A195-E197 PolarHBondContact O-N 2.94Å; A195-I198 HydrophobicContact CB-CG1 4.31Å; A195-I198 WeakPolarHBondContact O-CA 3.39Å; A195-I198 WeakPolarHBondContact O-CB 3.2Å; A195-I198 PolarHBondContact O-N 3.4Å; A195-L199 WeakPolarHBondContact O-CG 3.43Å; A195-L199 PolarHBondContact O-N 3.39Å; A195-V209 HydrophobicContact CB-CG1 4.49Å; A195-W212 HydrophobicContact CB-CB 3.8Å; A195-W212 HydrophobicContact CB-CD2 4.29Å; A195-W212 HydrophobicContact CB-CG 3.65Å | ||
| 196 | P | 90.9 | Very high | 78.2 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -51.3 | -42.6 | 179.3 | -28.4 | 35.4 | 0 | 0 | 0 | 113.6 | I198 L199 L200 W212 I240 F296 | P196-I198 VanDerWaalsContact C-N 3.31Å; P196-I198 PolarHBondContact O-N 3.38Å; P196-L199 PolarHBondContact O-N 3.17Å; P196-L200 VanDerWaalsContact O-CB 3.29Å; P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 2.9Å; P196-W212 HydrophobicContact CG-CE3 4.24Å; P196-W212 HydrophobicContact CG-CH2 3.95Å; P196-W212 HydrophobicContact CG-CZ2 4.26Å; P196-W212 HydrophobicContact CG-CZ3 3.92Å; P196-I240 HydrophobicContact CG-CG2 4.23Å; P196-F296 HydrophobicContact CB-CD2 4.04Å; P196-F296 HydrophobicContact CB-CE2 3.81Å; P196-F296 HydrophobicContact CB-CZ 4.33Å; P196-F296 HydrophobicContact CG-CD2 4.07Å; P196-F296 HydrophobicContact CG-CE2 4.32Å |
| 197 | E | 88.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -25.4 | 178.8 | 69.9 | -80.5 | -170.5 | 0 | 0 | 113.7 | A195 A201 C202 Y205 V209 V255 R301 | A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 VanDerWaalsContact CB-OE1 3.27Å; A195-E197 WeakPolarHBondContact CB-OE1 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.33Å; A195-E197 PolarHBondContact O-N 2.94Å; E197-A201 WeakPolarHBondContact O-CA 3.42Å; E197-A201 PolarHBondContact O-N 2.95Å; E197-A201 VanDerWaalsContact O-N 3.11Å; E197-C202 HydrophobicContact CB-CB 4.02Å; E197-C202 PolarHBondContact O-N 2.78Å; E197-Y205 HydrophobicContact CG-CD1 4.39Å; E197-V209 HydrophobicContact CG-CG2 4.16Å; E197-V209 WeakPolarHBondContact OE1-CG2 3.28Å; E197-V255 HydrophobicContact CB-CG1 4.2Å; E197-R301 IonicContact OE1-CZ 2.91Å; E197-R301 IonicContact OE1-NH1 3.76Å; E197-R301 PolarHBondContact OE1-NH1 2.92Å; E197-R301 IonicContact OE1-NH2 3.95Å; E197-R301 IonicContact OE2-CZ 2.65Å; E197-R301 IonicContact OE2-NH1 3.66Å; E197-R301 PolarHBondContact OE2-NH1 3.5Å; E197-R301 IonicContact OE2-NH2 3.94Å; E197-R301 PolarHBondContact OE2-NH2 3.12Å |
| 198 | I | 87 | Confident | 82.6 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.5 | -44 | 170.9 | -64.7 | -84.7 | 0 | 0 | 0 | 110 | R194 A195 P196 A201 Y205 V209 | R194-I198 HydrophobicContact CB-CB 4.37Å; R194-I198 HydrophobicContact CB-CG2 3.97Å; R194-I198 HydrophobicContact CG-CG2 4.25Å; A195-I198 HydrophobicContact CB-CG1 4.31Å; A195-I198 WeakPolarHBondContact O-CA 3.39Å; A195-I198 WeakPolarHBondContact O-CB 3.2Å; A195-I198 PolarHBondContact O-N 3.4Å; P196-I198 VanDerWaalsContact C-N 3.31Å; P196-I198 PolarHBondContact O-N 3.38Å; I198-A201 PolarHBondContact O-N 3.17Å; I198-A201 VanDerWaalsContact O-N 3.15Å; I198-Y205 HydrophobicContact CD1-CD1 3.5Å; I198-Y205 VanDerWaalsContact CD1-CD1 3.5Å; I198-Y205 HydrophobicContact CD1-CE1 3.42Å; I198-Y205 VanDerWaalsContact CD1-CE1 3.42Å; I198-Y205 HydrophobicContact CD1-CE2 4.46Å; I198-Y205 HydrophobicContact CD1-CG 4.09Å; I198-Y205 HydrophobicContact CG1-CD1 4.12Å; I198-Y205 HydrophobicContact CG1-CE1 4.06Å; I198-V209 HydrophobicContact CD1-CG1 3.87Å; I198-V209 HydrophobicContact CD1-CG2 4.11Å; I198-V209 HydrophobicContact CG1-CG1 3.72Å; I198-V209 HydrophobicContact CG1-CG2 3.94Å |
| 199 | L | 87 | Confident | 84.9 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -35.9 | 180 | -66.3 | 165.3 | 0 | 0 | 0 | 112.4 | R191 R194 A195 P196 A201 T233 Q236 I237 I240 | R191-L199 HydrophobicContact CB-CD2 4.36Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CB-CG 4Å; R194-L199 WeakPolarHBondContact O-CD1 3.5Å; A195-L199 WeakPolarHBondContact O-CG 3.43Å; A195-L199 PolarHBondContact O-N 3.39Å; P196-L199 PolarHBondContact O-N 3.17Å; L199-A201 VanDerWaalsContact C-N 3.31Å; L199-T233 HydrophobicContact CB-CG2 4.4Å; L199-T233 HydrophobicContact CD2-CG2 4.28Å; L199-Q236 HydrophobicContact CD1-CB 4.35Å; L199-Q236 HydrophobicContact CD1-CG 3.45Å; L199-Q236 VanDerWaalsContact CD1-CG 3.45Å; L199-Q236 HydrophobicContact CD2-CB 4.45Å; L199-Q236 HydrophobicContact CD2-CG 3.91Å; L199-Q236 HydrophobicContact CG-CG 4.35Å; L199-I237 HydrophobicContact CB-CD1 3.98Å; L199-I237 HydrophobicContact CB-CG1 3.86Å; L199-I237 HydrophobicContact CD1-CG1 4.16Å; L199-I240 HydrophobicContact CD1-CD1 3.74Å |
| 200 | L | 83.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.6 | 173 | -66.9 | 171.1 | 0 | 0 | 0 | 112.8 | P196 C202 I237 V255 S257 I263 F296 | P196-L200 VanDerWaalsContact O-CB 3.29Å; P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 2.9Å; L200-C202 VanDerWaalsContact C-N 3.34Å; L200-C202 PolarHBondContact O-N 3.4Å; L200-I237 HydrophobicContact CD2-CD1 3.66Å; L200-I237 HydrophobicContact CG-CD1 4.05Å; L200-V255 HydrophobicContact CB-CG1 4.02Å; L200-V255 HydrophobicContact CD1-CG1 3.85Å; L200-S257 VanDerWaalsContact O-CB 3.23Å; L200-S257 WeakPolarHBondContact O-CB 3.36Å; L200-S257 PolarHBondContact O-OG 2.56Å; L200-I263 HydrophobicContact CD2-CB 3.92Å; L200-I263 HydrophobicContact CD2-CD1 3.89Å; L200-I263 HydrophobicContact CD2-CG1 4.49Å; L200-I263 HydrophobicContact CD2-CG2 3.85Å; L200-F296 HydrophobicContact CD1-CZ 4.25Å |
| 201 | A | 75.8 | Confident | 88 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L184 E197 I198 L199 H203 | L184-A201 HydrophobicContact CD1-CB 3.65Å; L184-A201 HydrophobicContact CD2-CB 3.53Å; L184-A201 HydrophobicContact CG-CB 3.45Å; L184-A201 VanDerWaalsContact CG-CB 3.45Å; E197-A201 WeakPolarHBondContact O-CA 3.42Å; E197-A201 PolarHBondContact O-N 2.95Å; E197-A201 VanDerWaalsContact O-N 3.11Å; I198-A201 PolarHBondContact O-N 3.17Å; I198-A201 VanDerWaalsContact O-N 3.15Å; L199-A201 VanDerWaalsContact C-N 3.31Å; A201-H203 PolarHBondContact O-CE1 3.13Å; A201-H203 VanDerWaalsContact O-CE1 3.31Å; A201-H203 PolarHBondContact O-ND1 3.39Å |
| 202 | C | 75.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | trans | -52.5 | 142.6 | 161.1 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | E197 L200 Y205 V255 | E197-C202 HydrophobicContact CB-CB 4.02Å; E197-C202 PolarHBondContact O-N 2.78Å; L200-C202 VanDerWaalsContact C-N 3.34Å; L200-C202 PolarHBondContact O-N 3.4Å; C202-Y205 WeakPolarHBondContact O-CE1 3.48Å; C202-Y205 PolarHBondContact O-OH 2.75Å; C202-V255 HydrophobicContact CB-CG1 4.12Å | ||
| 203 | H | 67.5 | Low | 88.5 | Confident | 48 Ų | 48 | 17.1 Ų | 17.1 | 22% | 0.222 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -85.9 | -17.4 | -176.1 | -58.1 | -18.5 | 0 | 0 | 0 | 113 | R165 A201 | R165-H203 PolarHBondContact NH2-O 3.46Å; A201-H203 PolarHBondContact O-CE1 3.13Å; A201-H203 VanDerWaalsContact O-CE1 3.31Å; A201-H203 PolarHBondContact O-ND1 3.39Å |
| 204 | N | 72.4 | Confident | 88.6 | Confident | 84 Ų | 84 | 16.5 Ų | 16.5 | 45% | 0.449 | 8% | 0.082 | S | C | . | . | trans | -107.8 | 70.1 | -170.8 | -62.5 | 24.1 | 0 | 0 | 0 | 109.2 | ||||
| 205 | Y | 78.1 | Confident | 88.8 | Confident | 17 Ų | 17 | 14.2 Ų | 14.2 | 7% | 0.067 | 7% | 0.073 | C | C | . | . | trans | -66.5 | 141.8 | 175 | -54.6 | -56.3 | 0 | 0 | 0 | 111.5 | L162 E197 I198 C202 V209 | L162-Y205 VanDerWaalsContact CD2-O 3.27Å; L162-Y205 WeakPolarHBondContact CD2-O 3.33Å; E197-Y205 HydrophobicContact CG-CD1 4.39Å; I198-Y205 HydrophobicContact CD1-CD1 3.5Å; I198-Y205 VanDerWaalsContact CD1-CD1 3.5Å; I198-Y205 HydrophobicContact CD1-CE1 3.42Å; I198-Y205 VanDerWaalsContact CD1-CE1 3.42Å; I198-Y205 HydrophobicContact CD1-CE2 4.46Å; I198-Y205 HydrophobicContact CD1-CG 4.09Å; I198-Y205 HydrophobicContact CG1-CD1 4.12Å; I198-Y205 HydrophobicContact CG1-CE1 4.06Å; C202-Y205 WeakPolarHBondContact O-CE1 3.48Å; C202-Y205 PolarHBondContact O-OH 2.75Å; Y205-V209 HydrophobicContact CD1-CG2 4.34Å | ||
| 206 | T | 90.2 | Very high | 89.1 | Confident | 31 Ų | 31 | 14.3 Ų | 14.3 | 19% | 0.19 | 7% | 0.074 | C | C | . | . | trans | -114.7 | 174.9 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | G208 V209 | T206-G208 PolarHBondContact O-N 2.92Å; T206-G208 VanDerWaalsContact O-N 3.12Å; T206-G208 PolarHBondContact OG1-N 3.12Å; T206-G208 VanDerWaalsContact OG1-N 3.08Å; T206-V209 WeakPolarHBondContact O-CG2 3.18Å; T206-V209 PolarHBondContact O-N 3.02Å; T206-V209 VanDerWaalsContact O-N 3.15Å | ||
| 207 | K | 95.2 | Very high | 89.4 | Confident | 69 Ų | 69 | 14.1 Ų | 14.1 | 30% | 0.3 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -29.4 | 168.1 | -64.8 | 177.5 | -174.5 | -171.9 | 0 | 112.9 | H129 E132 I134 L162 V209 D210 | H129-K207 HydrophobicContact CB-CD 4.03Å; H129-K207 HydrophobicContact CB-CG 4.4Å; H129-K207 PolarHBondContact CE1-O 3.31Å; H129-K207 WeakPolarHBondContact O-CE 3.5Å; H129-K207 PolarHBondContact O-NZ 3.44Å; E132-K207 VanDerWaalsContact CD-CE 3.48Å; E132-K207 VanDerWaalsContact CD-NZ 3.29Å; E132-K207 WeakPolarHBondContact OE1-CE 3.18Å; E132-K207 IonicContact OE1-NZ 2.72Å; E132-K207 PolarHBondContact OE1-NZ 3.37Å; E132-K207 WeakPolarHBondContact OE2-CE 2.95Å; E132-K207 IonicContact OE2-NZ 3.94Å; E132-K207 PolarHBondContact OE2-NZ 2.99Å; I134-K207 HydrophobicContact CG2-CG 4.36Å; L162-K207 HydrophobicContact CD1-CG 3.71Å; K207-V209 PolarHBondContact O-N 2.81Å; K207-V209 VanDerWaalsContact O-N 3.1Å; K207-D210 PolarHBondContact O-N 3.01Å |
| 208 | G | 95.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 14 Ų | 14 | 6% | 0.062 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.8 | -20.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T206 D210 I211 W212 R301 | T206-G208 PolarHBondContact O-N 2.92Å; T206-G208 VanDerWaalsContact O-N 3.12Å; T206-G208 PolarHBondContact OG1-N 3.12Å; T206-G208 VanDerWaalsContact OG1-N 3.08Å; G208-D210 VanDerWaalsContact C-N 3.33Å; G208-D210 PolarHBondContact O-N 2.79Å; G208-I211 PolarHBondContact O-N 3.42Å; G208-W212 PolarHBondContact O-N 2.77Å; G208-R301 WeakPolarHBondContact O-CD 3.2Å; G208-R301 PolarHBondContact O-NH1 3.14Å |
| 209 | V | 94.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | R136 A195 E197 I198 Y205 T206 K207 S213 | R136-V209 HydrophobicContact CB-CG1 4.31Å; R136-V209 HydrophobicContact CG-CG1 4.26Å; A195-V209 HydrophobicContact CB-CG1 4.49Å; E197-V209 HydrophobicContact CG-CG2 4.16Å; E197-V209 WeakPolarHBondContact OE1-CG2 3.28Å; I198-V209 HydrophobicContact CD1-CG1 3.87Å; I198-V209 HydrophobicContact CD1-CG2 4.11Å; I198-V209 HydrophobicContact CG1-CG1 3.72Å; I198-V209 HydrophobicContact CG1-CG2 3.94Å; Y205-V209 HydrophobicContact CD1-CG2 4.34Å; T206-V209 WeakPolarHBondContact O-CG2 3.18Å; T206-V209 PolarHBondContact O-N 3.02Å; T206-V209 VanDerWaalsContact O-N 3.15Å; K207-V209 PolarHBondContact O-N 2.81Å; K207-V209 VanDerWaalsContact O-N 3.1Å; V209-S213 PolarHBondContact O-N 3.32Å; V209-S213 PolarHBondContact O-OG 2.94Å |
| 210 | D | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -75 | -36.8 | -179.9 | -66.4 | -33.3 | 0 | 0 | 0 | 111 | T125 H129 I134 H135 R136 K207 G208 W212 S213 L214 | T125-D210 HydrophobicContact CG2-CB 4.03Å; H129-D210 IonicContact CD2-OD2 3.14Å; H129-D210 IonicContact CE1-OD2 2.65Å; H129-D210 IonicContact NE2-OD2 2.82Å; H129-D210 PolarHBondContact NE2-OD2 2.95Å; I134-D210 VanDerWaalsContact CA-OD2 3.3Å; I134-D210 WeakPolarHBondContact CA-OD2 3.36Å; H135-D210 WeakPolarHBondContact CB-OD1 3.36Å; H135-D210 PolarHBondContact N-OD1 2.75Å; H135-D210 VanDerWaalsContact N-OD1 3.15Å; H135-D210 PolarHBondContact N-OD2 3.45Å; R136-D210 PolarHBondContact N-OD1 3.35Å; K207-D210 PolarHBondContact O-N 3.01Å; G208-D210 VanDerWaalsContact C-N 3.33Å; G208-D210 PolarHBondContact O-N 2.79Å; D210-W212 VanDerWaalsContact C-N 3.32Å; D210-W212 PolarHBondContact O-N 2.86Å; D210-S213 WeakPolarHBondContact O-CA 3.44Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 3.02Å; D210-S213 VanDerWaalsContact O-N 3.08Å; D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 2.92Å |
| 211 | I | 98.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.2 | -54.2 | -57.4 | 0 | 0 | 0 | 111.3 | T125 G208 S213 L214 G215 M293 R301 I302 A304 | T125-I211 HydrophobicContact CG2-CD1 4.36Å; G208-I211 PolarHBondContact O-N 3.42Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 2.84Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 3.34Å; I211-G215 PolarHBondContact O-N 3.15Å; I211-M293 HydrophobicContact CG2-CB 4.01Å; I211-M293 HydrophobicContact CG2-CG 3.78Å; I211-R301 HydrophobicContact CG2-CB 4.16Å; I211-I302 WeakPolarHBondContact CG1-O 3.32Å; I211-I302 HydrophobicContact CG2-CG2 4.21Å; I211-I302 VanDerWaalsContact CG2-O 3.27Å; I211-I302 WeakPolarHBondContact CG2-O 3.49Å; I211-A304 HydrophobicContact CD1-CB 3.97Å |
| 212 | W | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 172.5 | 174.3 | -79.8 | 0 | 0 | 0 | 111.6 | R194 A195 P196 G208 D210 L214 G215 C216 F228 I240 L244 L294 | R194-W212 PolarHBondContact O-NE1 2.98Å; A195-W212 HydrophobicContact CB-CB 3.8Å; A195-W212 HydrophobicContact CB-CD2 4.29Å; A195-W212 HydrophobicContact CB-CG 3.65Å; P196-W212 HydrophobicContact CG-CE3 4.24Å; P196-W212 HydrophobicContact CG-CH2 3.95Å; P196-W212 HydrophobicContact CG-CZ2 4.26Å; P196-W212 HydrophobicContact CG-CZ3 3.92Å; G208-W212 PolarHBondContact O-N 2.77Å; D210-W212 VanDerWaalsContact C-N 3.32Å; D210-W212 PolarHBondContact O-N 2.86Å; W212-L214 VanDerWaalsContact C-N 3.29Å; W212-L214 PolarHBondContact O-N 2.86Å; W212-G215 PolarHBondContact O-N 3.32Å; W212-G215 VanDerWaalsContact O-N 3.11Å; W212-C216 PolarHBondContact NE1-SG 3.45Å; W212-C216 VanDerWaalsContact NE1-SG 3.43Å; W212-C216 PolarHBondContact O-N 2.99Å; W212-C216 PolarHBondContact O-SG 3.12Å; W212-F228 HydrophobicContact CH2-CE2 4.06Å; W212-F228 AromaticContact CZ2-CD2 3.99Å; W212-F228 HydrophobicContact CZ2-CD2 3.99Å; W212-F228 AromaticContact CZ2-CE2 3.64Å; W212-F228 HydrophobicContact CZ2-CE2 3.64Å; W212-I240 HydrophobicContact CH2-CB 4.49Å; W212-I240 HydrophobicContact CH2-CD1 4.29Å; W212-I240 HydrophobicContact CH2-CG1 4.19Å; W212-I240 HydrophobicContact CH2-CG2 3.56Å; W212-I240 HydrophobicContact CZ2-CD1 3.65Å; W212-I240 HydrophobicContact CZ2-CG1 3.8Å; W212-I240 HydrophobicContact CZ2-CG2 4.06Å; W212-L244 HydrophobicContact CH2-CD1 3.79Å; W212-L244 HydrophobicContact CZ3-CD1 3.9Å; W212-L294 HydrophobicContact CD2-CD2 3.98Å; W212-L294 HydrophobicContact CE3-CD2 4.05Å; W212-L294 HydrophobicContact CG-CD2 4.47Å; W212-L294 HydrophobicContact CH2-CD2 4.32Å; W212-L294 HydrophobicContact CZ2-CD2 4.27Å; W212-L294 HydrophobicContact CZ3-CB 4.23Å; W212-L294 HydrophobicContact CZ3-CD2 4.24Å; W212-L294 WeakPolarHBondContact CZ3-O 3.41Å |
| 213 | S | 98.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | Y193 V209 D210 I211 C216 I217 | Y193-S213 PolarHBondContact O-OG 3.37Å; V209-S213 PolarHBondContact O-N 3.32Å; V209-S213 PolarHBondContact O-OG 2.94Å; D210-S213 WeakPolarHBondContact O-CA 3.44Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 3.02Å; D210-S213 VanDerWaalsContact O-N 3.08Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 2.84Å; S213-C216 PolarHBondContact O-N 3.17Å; S213-I217 WeakPolarHBondContact O-CD1 3.28Å; S213-I217 VanDerWaalsContact O-CG1 3.28Å; S213-I217 WeakPolarHBondContact O-CG1 3.37Å; S213-I217 PolarHBondContact O-N 3.41Å |
| 214 | L | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 172.6 | -72.4 | -173.6 | 0 | 0 | 0 | 112.6 | M118 L121 L122 T125 D210 I211 W212 C216 I217 L218 M293 | M118-L214 HydrophobicContact CE-CB 3.92Å; M118-L214 HydrophobicContact CE-CD1 3.98Å; M118-L214 HydrophobicContact CE-CD2 3.98Å; M118-L214 HydrophobicContact CE-CG 4.18Å; L121-L214 HydrophobicContact CB-CD2 3.83Å; L121-L214 HydrophobicContact CD1-CD2 4.1Å; L121-L214 HydrophobicContact CG-CD2 4.39Å; L122-L214 HydrophobicContact CD2-CD1 3.77Å; L122-L214 HydrophobicContact CG-CD1 4.43Å; T125-L214 HydrophobicContact CG2-CD1 4.2Å; D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 2.92Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 3.34Å; W212-L214 VanDerWaalsContact C-N 3.29Å; W212-L214 PolarHBondContact O-N 2.86Å; L214-C216 VanDerWaalsContact C-N 3.3Å; L214-C216 PolarHBondContact O-N 3.43Å; L214-I217 HydrophobicContact CD2-CD1 4.31Å; L214-I217 PolarHBondContact O-N 2.65Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 PolarHBondContact O-N 2.94Å; L214-M293 HydrophobicContact CB-CE 4.42Å; L214-M293 HydrophobicContact CB-SD 4.35Å |
| 215 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I211 W212 G219 | I211-G215 PolarHBondContact O-N 3.15Å; W212-G215 PolarHBondContact O-N 3.32Å; W212-G215 VanDerWaalsContact O-N 3.11Å; G215-G219 PolarHBondContact O-N 3.07Å |
| 216 | C | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | Y193 W212 S213 L214 E220 | Y193-C216 HydrophobicContact CD1-CB 3.82Å; W212-C216 PolarHBondContact NE1-SG 3.45Å; W212-C216 VanDerWaalsContact NE1-SG 3.43Å; W212-C216 PolarHBondContact O-N 2.99Å; W212-C216 PolarHBondContact O-SG 3.12Å; S213-C216 PolarHBondContact O-N 3.17Å; L214-C216 VanDerWaalsContact C-N 3.3Å; L214-C216 PolarHBondContact O-N 3.43Å; C216-E220 PolarHBondContact O-N 2.91Å |
| 217 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.1 | -68.2 | 161 | 0 | 0 | 0 | 110.9 | L99 L121 Q138 P140 Y193 S213 L214 E220 M221 | L99-I217 HydrophobicContact CD2-CG2 3.72Å; L121-I217 HydrophobicContact CD1-CG2 4.12Å; Q138-I217 HydrophobicContact CB-CD1 4.17Å; P140-I217 HydrophobicContact CG-CG1 4.13Å; Y193-I217 HydrophobicContact CD1-CG1 4.33Å; S213-I217 WeakPolarHBondContact O-CD1 3.28Å; S213-I217 VanDerWaalsContact O-CG1 3.28Å; S213-I217 WeakPolarHBondContact O-CG1 3.37Å; S213-I217 PolarHBondContact O-N 3.41Å; L214-I217 HydrophobicContact CD2-CD1 4.31Å; L214-I217 PolarHBondContact O-N 2.65Å; I217-E220 PolarHBondContact O-N 3.07Å; I217-M221 HydrophobicContact CG2-CE 4.43Å; I217-M221 WeakPolarHBondContact O-CG 3.34Å; I217-M221 PolarHBondContact O-N 2.57Å |
| 218 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.2 | -178.5 | 52.6 | 0 | 0 | 0 | 111 | M118 L214 E220 M221 L222 L289 M290 M293 Y312 | M118-L218 HydrophobicContact CG-CD1 4.24Å; M118-L218 HydrophobicContact CG-CD2 4.36Å; M118-L218 HydrophobicContact SD-CB 3.77Å; M118-L218 HydrophobicContact SD-CD1 3.99Å; M118-L218 HydrophobicContact SD-CD2 3.99Å; M118-L218 HydrophobicContact SD-CG 4.12Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 PolarHBondContact O-N 2.94Å; L218-E220 PolarHBondContact O-N 2.96Å; L218-M221 HydrophobicContact CD1-CE 4.11Å; L218-M221 PolarHBondContact O-N 3.2Å; L218-L222 HydrophobicContact CD1-CD1 3.69Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 3.75Å; L218-L222 WeakPolarHBondContact O-CD1 2.92Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.14Å; L218-L289 HydrophobicContact CD2-CB 4.42Å; L218-L289 HydrophobicContact CD2-CD2 3.96Å; L218-L289 HydrophobicContact CD2-CG 4.16Å; L218-M290 HydrophobicContact CB-CG 4.35Å; L218-M290 HydrophobicContact CD2-CG 3.71Å; L218-M290 HydrophobicContact CG-CG 3.89Å; L218-M290 HydrophobicContact CG-SD 4.26Å; L218-M293 HydrophobicContact CD2-SD 4.44Å; L218-Y312 HydrophobicContact CD1-CE1 3.65Å; L218-Y312 HydrophobicContact CD2-CE1 4.36Å |
| 219 | G | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54.9 | -49.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G215 M221 L222 I223 | G215-G219 PolarHBondContact O-N 3.07Å; G219-M221 VanDerWaalsContact C-N 3.35Å; G219-M221 PolarHBondContact O-N 2.81Å; G219-L222 PolarHBondContact O-N 2.88Å; G219-L222 VanDerWaalsContact O-N 3.12Å; G219-I223 WeakPolarHBondContact O-CG1 3.45Å; G219-I223 PolarHBondContact O-N 3.15Å |
| 220 | E | 97 | Very high | 96.5 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 179 | -174.7 | 171.7 | 149.4 | 0 | 0 | 113.1 | H100 I103 Y193 C216 I217 L218 L222 G224 T225 P226 | H100-E220 IonicContact ND1-OE1 3.59Å; I103-E220 HydrophobicContact CD1-CB 4.46Å; I103-E220 HydrophobicContact CD1-CG 3.94Å; I103-E220 HydrophobicContact CG2-CG 4.2Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.5Å; Y193-E220 VanDerWaalsContact CZ-OE2 3.27Å; Y193-E220 PolarHBondContact OH-OE2 3.48Å; C216-E220 PolarHBondContact O-N 2.91Å; I217-E220 PolarHBondContact O-N 3.07Å; L218-E220 PolarHBondContact O-N 2.96Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-G224 VanDerWaalsContact O-CA 3.28Å; E220-G224 WeakPolarHBondContact O-CA 3.37Å; E220-G224 PolarHBondContact O-N 2.89Å; E220-T225 WeakPolarHBondContact CA-O 3.19Å; E220-P226 WeakPolarHBondContact OE2-CA 3.24Å; E220-P226 WeakPolarHBondContact OE2-CB 3.36Å |
| 221 | M | 97.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 3% | 0.034 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 171.9 | -75.4 | -165.9 | -62.1 | 0 | 0 | 112.7 | L99 I103 K114 I117 M118 I217 L218 G219 | L99-M221 HydrophobicContact CD1-CG 4.16Å; L99-M221 HydrophobicContact CD1-SD 4.02Å; L99-M221 HydrophobicContact CD2-CG 4.1Å; L99-M221 HydrophobicContact CD2-SD 3.95Å; I103-M221 HydrophobicContact CD1-CB 4.45Å; I103-M221 HydrophobicContact CD1-CG 3.72Å; I103-M221 HydrophobicContact CG1-CG 4.31Å; K114-M221 HydrophobicContact CD-CB 4.42Å; K114-M221 WeakPolarHBondContact CD-O 3.36Å; K114-M221 WeakPolarHBondContact CE-O 3.05Å; K114-M221 HydrophobicContact CG-CB 4.4Å; I117-M221 HydrophobicContact CB-SD 4.11Å; I117-M221 HydrophobicContact CG2-CE 4.18Å; I117-M221 HydrophobicContact CG2-SD 3.65Å; M118-M221 HydrophobicContact CB-CE 4.39Å; M118-M221 HydrophobicContact SD-CE 4.42Å; I217-M221 HydrophobicContact CG2-CE 4.43Å; I217-M221 WeakPolarHBondContact O-CG 3.34Å; I217-M221 PolarHBondContact O-N 2.57Å; L218-M221 HydrophobicContact CD1-CE 4.11Å; L218-M221 PolarHBondContact O-N 3.2Å; G219-M221 VanDerWaalsContact C-N 3.35Å; G219-M221 PolarHBondContact O-N 2.81Å |
| 222 | L | 96 | Very high | 95.4 | Very high | 31 Ų | 31 | 22.4 Ų | 22.4 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79.1 | -45.2 | -175.9 | -70.2 | 162 | 0 | 0 | 0 | 112.4 | K114 L218 G219 E220 V282 A286 M290 | K114-L222 HydrophobicContact CD-CD2 3.75Å; K114-L222 HydrophobicContact CD-CG 4.35Å; L218-L222 HydrophobicContact CD1-CD1 3.69Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 3.75Å; L218-L222 WeakPolarHBondContact O-CD1 2.92Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.14Å; G219-L222 PolarHBondContact O-N 2.88Å; G219-L222 VanDerWaalsContact O-N 3.12Å; E220-L222 VanDerWaalsContact C-N 3.35Å; L222-V282 HydrophobicContact CB-CG1 4.44Å; L222-V282 HydrophobicContact CB-CG2 4.23Å; L222-V282 HydrophobicContact CD1-CG1 3.86Å; L222-V282 HydrophobicContact CD2-CG1 4.16Å; L222-V282 HydrophobicContact CG-CG1 4.38Å; L222-A286 HydrophobicContact CD1-CB 3.91Å; L222-A286 HydrophobicContact CD2-CB 4.36Å; L222-M290 HydrophobicContact CD1-SD 3.77Å |
| 223 | I | 94.4 | Very high | 94.8 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -97.9 | -0.9 | -176 | 79.9 | -174 | 0 | 0 | 0 | 113.7 | G219 T225 L227 L279 V282 | G219-I223 WeakPolarHBondContact O-CG1 3.45Å; G219-I223 PolarHBondContact O-N 3.15Å; I223-T225 WeakPolarHBondContact CD1-O 3.46Å; I223-T225 WeakPolarHBondContact CG1-O 3.25Å; I223-T225 PolarHBondContact O-N 3.34Å; I223-T225 VanDerWaalsContact O-N 3.11Å; I223-L227 HydrophobicContact CD1-CD1 3.89Å; I223-L279 HydrophobicContact CG2-CD2 4.02Å; I223-V282 HydrophobicContact CG2-CG2 4.34Å |
| 224 | G | 94.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 28.3 Ų | 28.3 | 42% | 0.423 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 69.2 | 2.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E220 | E220-G224 VanDerWaalsContact O-CA 3.28Å; E220-G224 WeakPolarHBondContact O-CA 3.37Å; E220-G224 PolarHBondContact O-N 2.89Å |
| 225 | T | 94.3 | Very high | 93.7 | Very high | 84 Ų | 84 | 29.2 Ų | 29.2 | 52% | 0.515 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -142.7 | 152 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | E220 I223 L227 | E220-T225 WeakPolarHBondContact CA-O 3.19Å; I223-T225 WeakPolarHBondContact CD1-O 3.46Å; I223-T225 WeakPolarHBondContact CG1-O 3.25Å; I223-T225 PolarHBondContact O-N 3.34Å; I223-T225 VanDerWaalsContact O-N 3.11Å; T225-L227 PolarHBondContact O-N 3.37Å |
| 226 | P | 95.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 29.2 Ų | 29.2 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | trans | -61.7 | 131.2 | -176.5 | -21.2 | 31 | 0 | 0 | 0 | 112.3 | W192 E220 F228 P229 | W192-P226 HydrophobicContact CD2-CB 4.29Å; W192-P226 HydrophobicContact CE3-CB 3.57Å; W192-P226 HydrophobicContact CE3-CG 3.59Å; W192-P226 HydrophobicContact CZ3-CB 4.03Å; W192-P226 HydrophobicContact CZ3-CG 3.51Å; E220-P226 WeakPolarHBondContact OE2-CA 3.24Å; E220-P226 WeakPolarHBondContact OE2-CB 3.36Å; P226-F228 PolarHBondContact O-N 2.85Å; P226-P229 HydrophobicContact CB-CB 4.49Å; P226-P229 WeakPolarHBondContact O-CD 3.46Å | ||
| 227 | L | 94.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -63.9 | -41.6 | -172.3 | -169.2 | 67.5 | 0 | 0 | 0 | 113.3 | I223 T225 L275 L278 M290 L294 | I223-L227 HydrophobicContact CD1-CD1 3.89Å; T225-L227 PolarHBondContact O-N 3.37Å; L227-L275 HydrophobicContact CD1-CD1 4.05Å; L227-L275 HydrophobicContact CD2-CD1 4.11Å; L227-L278 HydrophobicContact CD1-CB 4.35Å; L227-L278 HydrophobicContact CD1-CD1 3.94Å; L227-M290 HydrophobicContact CD1-CE 4.44Å; L227-M290 HydrophobicContact CD2-CE 3.72Å; L227-L294 HydrophobicContact CD2-CD1 3.54Å |
| 228 | F | 94.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -127.5 | 77 | -177.9 | -53.8 | -49.7 | 0 | 0 | 0 | 111.7 | W192 W212 P226 G230 Q236 I240 A243 L294 | W192-F228 WeakPolarHBondContact CA-O 3.3Å; W192-F228 WeakPolarHBondContact CB-O 3.26Å; W212-F228 HydrophobicContact CH2-CE2 4.06Å; W212-F228 AromaticContact CZ2-CD2 3.99Å; W212-F228 HydrophobicContact CZ2-CD2 3.99Å; W212-F228 AromaticContact CZ2-CE2 3.64Å; W212-F228 HydrophobicContact CZ2-CE2 3.64Å; P226-F228 PolarHBondContact O-N 2.85Å; F228-G230 PolarHBondContact O-N 3.38Å; F228-Q236 VanDerWaalsContact CB-NE2 3.28Å; F228-Q236 PolarHBondContact O-NE2 3.33Å; F228-Q236 PolarHBondContact O-OE1 2.93Å; F228-I240 HydrophobicContact CB-CG1 4.41Å; F228-I240 HydrophobicContact CD1-CG1 4.46Å; F228-I240 HydrophobicContact CD2-CG1 3.89Å; F228-I240 HydrophobicContact CE2-CG1 4.24Å; F228-I240 HydrophobicContact CG-CG1 4.01Å; F228-A243 HydrophobicContact CD1-CB 4.47Å; F228-A243 HydrophobicContact CE1-CB 3.63Å; F228-A243 HydrophobicContact CZ-CB 4.42Å; F228-L294 HydrophobicContact CE2-CD1 4.46Å; F228-L294 HydrophobicContact CE2-CD2 4.38Å; F228-L294 HydrophobicContact CZ-CD1 4.49Å |
| 229 | P | 93.7 | Very high | 92.1 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 31% | 0.312 | 20% | 0.202 | S | C | . | . | trans | -84.2 | 70.5 | -173 | 33 | -33.6 | 0 | 0 | 0 | 112.5 | W192 P226 R239 | W192-P229 HydrophobicContact CD2-CB 4.3Å; W192-P229 HydrophobicContact CZ2-CB 4.34Å; P226-P229 HydrophobicContact CB-CB 4.49Å; P226-P229 WeakPolarHBondContact O-CD 3.46Å; P229-R239 VanDerWaalsContact O-CZ 3.3Å; P229-R239 PolarHBondContact O-NE 3.03Å | ||
| 230 | G | 91.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -75.6 | 129.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R191 W192 F228 | R191-G230 PolarHBondContact NH1-O 3.49Å; W192-G230 PolarHBondContact NE1-O 2.8Å; W192-G230 VanDerWaalsContact NE1-O 3.13Å; F228-G230 PolarHBondContact O-N 3.38Å | ||
| 231 | T | 89.4 | Confident | 91.5 | Very high | 107 Ų | 107 | 35.1 Ų | 35.1 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -77.5 | -32.7 | 179.1 | 58 | 0 | 0 | 0 | 0 | 113.4 | R191 D235 | R191-T231 PolarHBondContact NH1-O 2.83Å; T231-D235 WeakPolarHBondContact CB-OD2 3.39Å; T231-D235 PolarHBondContact N-OD2 3.36Å; T231-D235 PolarHBondContact OG1-OD2 2.96Å |
| 232 | S | 85.6 | Confident | 91.1 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 34% | 0.343 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -131.4 | 172.3 | 174.1 | 73.9 | 0 | 0 | 0 | 0 | 110.2 | R191 L234 D235 Q236 | R191-S232 VanDerWaalsContact CD-O 3.26Å; R191-S232 WeakPolarHBondContact CD-O 3.5Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.37Å; S232-L234 PolarHBondContact OG-N 2.85Å; S232-D235 PolarHBondContact O-N 3.14Å; S232-D235 WeakPolarHBondContact OG-CB 3.47Å; S232-D235 PolarHBondContact OG-N 3.46Å; S232-D235 VanDerWaalsContact OG-N 3.12Å; S232-Q236 WeakPolarHBondContact O-CB 3.45Å; S232-Q236 PolarHBondContact O-N 3.11Å |
| 233 | T | 84.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -36.4 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 112 | L199 I237 | L199-T233 HydrophobicContact CB-CG2 4.4Å; L199-T233 HydrophobicContact CD2-CG2 4.28Å; T233-I237 HydrophobicContact CG2-CD1 4.13Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.43Å; T233-I237 VanDerWaalsContact O-N 3.12Å |
| 234 | L | 85.4 | Confident | 90.7 | Very high | 67 Ų | 67 | 33 Ų | 33 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.8 | -50.7 | 175 | -177.6 | 62.8 | 0 | 0 | 0 | 111.1 | S232 Q236 I237 E238 I263 | S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.37Å; S232-L234 PolarHBondContact OG-N 2.85Å; L234-Q236 PolarHBondContact O-N 3.39Å; L234-I237 PolarHBondContact O-N 2.97Å; L234-E238 HydrophobicContact CD1-CG 4.27Å; L234-E238 HydrophobicContact CG-CG 4.3Å; L234-E238 WeakPolarHBondContact O-CG 3.13Å; L234-E238 PolarHBondContact O-N 3.28Å; L234-I263 HydrophobicContact CD1-CG2 4.05Å |
| 235 | D | 88.5 | Confident | 90.3 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | 178.2 | 177.1 | 34.7 | 0 | 0 | 0 | 112 | T231 S232 R239 R272 | T231-D235 WeakPolarHBondContact CB-OD2 3.39Å; T231-D235 PolarHBondContact N-OD2 3.36Å; T231-D235 PolarHBondContact OG1-OD2 2.96Å; S232-D235 PolarHBondContact O-N 3.14Å; S232-D235 WeakPolarHBondContact OG-CB 3.47Å; S232-D235 PolarHBondContact OG-N 3.46Å; S232-D235 VanDerWaalsContact OG-N 3.12Å; D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 WeakPolarHBondContact O-CG 3.34Å; D235-R239 PolarHBondContact O-N 2.9Å; D235-R239 IonicContact OD1-CZ 3.22Å; D235-R239 IonicContact OD1-NE 3.45Å; D235-R239 PolarHBondContact OD1-NE 3.31Å; D235-R239 IonicContact OD1-NH2 3.12Å; D235-R239 PolarHBondContact OD1-NH2 2.98Å; D235-R239 IonicContact OD2-CZ 3.5Å; D235-R239 IonicContact OD2-NE 3.32Å; D235-R239 PolarHBondContact OD2-NE 3.42Å; D235-R239 VanDerWaalsContact OD2-NE 3.11Å; D235-R239 IonicContact OD2-NH2 3.57Å; D235-R239 PolarHBondContact OD2-NH2 3.38Å; D235-R272 IonicContact OD1-NH1 2.79Å |
| 236 | Q | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 172.1 | -173.8 | 67.7 | 39.3 | 0 | 0 | 112.3 | R191 W192 L199 F228 S232 L234 R239 I240 | R191-Q236 HydrophobicContact CG-CB 4.29Å; R191-Q236 HydrophobicContact CG-CG 4.21Å; W192-Q236 PolarHBondContact O-NE2 3.41Å; L199-Q236 HydrophobicContact CD1-CB 4.35Å; L199-Q236 HydrophobicContact CD1-CG 3.45Å; L199-Q236 VanDerWaalsContact CD1-CG 3.45Å; L199-Q236 HydrophobicContact CD2-CB 4.45Å; L199-Q236 HydrophobicContact CD2-CG 3.91Å; L199-Q236 HydrophobicContact CG-CG 4.35Å; F228-Q236 VanDerWaalsContact CB-NE2 3.28Å; F228-Q236 PolarHBondContact O-NE2 3.33Å; F228-Q236 PolarHBondContact O-OE1 2.93Å; S232-Q236 WeakPolarHBondContact O-CB 3.45Å; S232-Q236 PolarHBondContact O-N 3.11Å; L234-Q236 PolarHBondContact O-N 3.39Å; Q236-R239 PolarHBondContact O-N 3.34Å; Q236-I240 HydrophobicContact CG-CD1 4.36Å; Q236-I240 WeakPolarHBondContact O-CG1 3.2Å; Q236-I240 PolarHBondContact O-N 3.02Å |
| 237 | I | 88.9 | Confident | 89.3 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 179.6 | -69.4 | 165.1 | 0 | 0 | 0 | 110.1 | L199 L200 T233 L234 R239 I240 M241 I263 L264 | L199-I237 HydrophobicContact CB-CD1 3.98Å; L199-I237 HydrophobicContact CB-CG1 3.86Å; L199-I237 HydrophobicContact CD1-CG1 4.16Å; L200-I237 HydrophobicContact CD2-CD1 3.66Å; L200-I237 HydrophobicContact CG-CD1 4.05Å; T233-I237 HydrophobicContact CG2-CD1 4.13Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.43Å; T233-I237 VanDerWaalsContact O-N 3.12Å; L234-I237 PolarHBondContact O-N 2.97Å; I237-R239 VanDerWaalsContact C-N 3.33Å; I237-R239 PolarHBondContact O-N 2.67Å; I237-I240 WeakPolarHBondContact O-CB 3.16Å; I237-I240 PolarHBondContact O-N 3.49Å; I237-M241 HydrophobicContact CG2-CG 4.1Å; I237-M241 WeakPolarHBondContact O-CB 3.43Å; I237-M241 WeakPolarHBondContact O-CG 3.35Å; I237-M241 PolarHBondContact O-N 2.84Å; I237-I263 HydrophobicContact CD1-CG2 3.71Å; I237-I263 HydrophobicContact CG2-CG2 4.41Å; I237-L264 HydrophobicContact CG2-CD2 4.12Å |
| 238 | E | 89 | Confident | 88.9 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 177.1 | -67.1 | 178.8 | 153.2 | 0 | 0 | 112.9 | L234 I240 M241 G242 A267 H268 R272 | L234-E238 HydrophobicContact CD1-CG 4.27Å; L234-E238 HydrophobicContact CG-CG 4.3Å; L234-E238 WeakPolarHBondContact O-CG 3.13Å; L234-E238 PolarHBondContact O-N 3.28Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-M241 PolarHBondContact O-N 3.13Å; E238-G242 PolarHBondContact O-N 3.11Å; E238-A267 HydrophobicContact CG-CB 3.78Å; E238-H268 PolarHBondContact OE1-N 2.8Å; E238-R272 VanDerWaalsContact O-CD 3.27Å; E238-R272 WeakPolarHBondContact O-CD 3.12Å; E238-R272 IonicContact OE2-CZ 2.71Å; E238-R272 IonicContact OE2-NH1 3.56Å; E238-R272 IonicContact OE2-NH2 3.93Å; E238-R272 PolarHBondContact OE2-NH2 3.19Å |
| 239 | R | 91.9 | Very high | 88.5 | Confident | 80 Ų | 80 | 49 Ų | 49 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.4 | -78.9 | 170.6 | -160.1 | -101.7 | -1.2 | 112.1 | P229 D235 Q236 I237 A243 | P229-R239 VanDerWaalsContact O-CZ 3.3Å; P229-R239 PolarHBondContact O-NE 3.03Å; D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 WeakPolarHBondContact O-CG 3.34Å; D235-R239 PolarHBondContact O-N 2.9Å; D235-R239 IonicContact OD1-CZ 3.22Å; D235-R239 IonicContact OD1-NE 3.45Å; D235-R239 PolarHBondContact OD1-NE 3.31Å; D235-R239 IonicContact OD1-NH2 3.12Å; D235-R239 PolarHBondContact OD1-NH2 2.98Å; D235-R239 IonicContact OD2-CZ 3.5Å; D235-R239 IonicContact OD2-NE 3.32Å; D235-R239 PolarHBondContact OD2-NE 3.42Å; D235-R239 VanDerWaalsContact OD2-NE 3.11Å; D235-R239 IonicContact OD2-NH2 3.57Å; D235-R239 PolarHBondContact OD2-NH2 3.38Å; Q236-R239 PolarHBondContact O-N 3.34Å; I237-R239 VanDerWaalsContact C-N 3.33Å; I237-R239 PolarHBondContact O-N 2.67Å; R239-A243 WeakPolarHBondContact O-CB 3.35Å; R239-A243 PolarHBondContact O-N 3.38Å |
| 240 | I | 92.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -51.9 | 174.9 | -68.8 | 165.7 | 0 | 0 | 0 | 110.1 | P196 L199 W212 F228 Q236 I237 E238 G242 A243 L244 | P196-I240 HydrophobicContact CG-CG2 4.23Å; L199-I240 HydrophobicContact CD1-CD1 3.74Å; W212-I240 HydrophobicContact CH2-CB 4.49Å; W212-I240 HydrophobicContact CH2-CD1 4.29Å; W212-I240 HydrophobicContact CH2-CG1 4.19Å; W212-I240 HydrophobicContact CH2-CG2 3.56Å; W212-I240 HydrophobicContact CZ2-CD1 3.65Å; W212-I240 HydrophobicContact CZ2-CG1 3.8Å; W212-I240 HydrophobicContact CZ2-CG2 4.06Å; F228-I240 HydrophobicContact CB-CG1 4.41Å; F228-I240 HydrophobicContact CD1-CG1 4.46Å; F228-I240 HydrophobicContact CD2-CG1 3.89Å; F228-I240 HydrophobicContact CE2-CG1 4.24Å; F228-I240 HydrophobicContact CG-CG1 4.01Å; Q236-I240 HydrophobicContact CG-CD1 4.36Å; Q236-I240 WeakPolarHBondContact O-CG1 3.2Å; Q236-I240 PolarHBondContact O-N 3.02Å; I237-I240 WeakPolarHBondContact O-CB 3.16Å; I237-I240 PolarHBondContact O-N 3.49Å; E238-I240 VanDerWaalsContact C-N 3.35Å; I240-G242 PolarHBondContact O-N 2.95Å; I240-A243 PolarHBondContact O-N 2.88Å; I240-A243 VanDerWaalsContact O-N 3.11Å; I240-L244 HydrophobicContact CG2-CD1 3.9Å; I240-L244 PolarHBondContact O-N 3.28Å; I240-L244 VanDerWaalsContact O-N 3.09Å |
| 241 | M | 88.6 | Confident | 88 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -21.7 | -177.6 | -68.4 | -67.1 | -65.2 | 0 | 0 | 114.3 | I237 E238 P247 L264 I269 F296 | I237-M241 HydrophobicContact CG2-CG 4.1Å; I237-M241 WeakPolarHBondContact O-CB 3.43Å; I237-M241 WeakPolarHBondContact O-CG 3.35Å; I237-M241 PolarHBondContact O-N 2.84Å; E238-M241 PolarHBondContact O-N 3.13Å; M241-P247 HydrophobicContact CE-CG 3.88Å; M241-P247 HydrophobicContact SD-CG 3.79Å; M241-L264 HydrophobicContact CE-CD2 4.01Å; M241-L264 HydrophobicContact CG-CD2 4.22Å; M241-L264 HydrophobicContact SD-CD2 3.94Å; M241-I269 HydrophobicContact CB-CD1 4.12Å; M241-I269 HydrophobicContact CB-CG1 4.38Å; M241-F296 HydrophobicContact SD-CD2 3.95Å; M241-F296 HydrophobicContact SD-CE2 3.59Å; M241-F296 VanDerWaalsContact SD-CE2 3.59Å; M241-F296 HydrophobicContact SD-CZ 4.45Å |
| 242 | G | 88.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E238 I240 R272 | E238-G242 PolarHBondContact O-N 3.11Å; I240-G242 PolarHBondContact O-N 2.95Å; G242-R272 WeakPolarHBondContact O-CB 3.36Å |
| 243 | A | 91.4 | Very high | 87.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -33.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F228 R239 I240 R273 S274 L275 | F228-A243 HydrophobicContact CD1-CB 4.47Å; F228-A243 HydrophobicContact CE1-CB 3.63Å; F228-A243 HydrophobicContact CZ-CB 4.42Å; R239-A243 WeakPolarHBondContact O-CB 3.35Å; R239-A243 PolarHBondContact O-N 3.38Å; I240-A243 PolarHBondContact O-N 2.88Å; I240-A243 VanDerWaalsContact O-N 3.11Å; A243-R273 WeakPolarHBondContact CA-O 3.38Å; A243-S274 CarbonylContact O-C 3.43Å; A243-S274 WeakPolarHBondContact O-CA 3.02Å; A243-L275 PolarHBondContact O-N 3.24Å |
| 244 | L | 91 | Very high | 87.5 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -89 | 161.5 | 176.5 | -61.5 | -178.4 | 0 | 0 | 0 | 112 | W212 I240 L275 L294 | W212-L244 HydrophobicContact CH2-CD1 3.79Å; W212-L244 HydrophobicContact CZ3-CD1 3.9Å; I240-L244 HydrophobicContact CG2-CD1 3.9Å; I240-L244 PolarHBondContact O-N 3.28Å; I240-L244 VanDerWaalsContact O-N 3.09Å; L244-L275 HydrophobicContact CD2-CD2 4.11Å; L244-L294 WeakPolarHBondContact CD1-O 3.35Å; L244-L294 HydrophobicContact CD2-CB 4.27Å; L244-L294 WeakPolarHBondContact CD2-O 3.36Å |
| 245 | P | 86.1 | Confident | 87 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 63% | 0.63 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 146.9 | 163 | -24.5 | 34.9 | 0 | 0 | 0 | 111.7 | P247 | P245-P247 WeakPolarHBondContact O-CD 3.33Š|
| 246 | K | 83.7 | Confident | 86.2 | Confident | 188 Ų | 188 | 53.2 Ų | 53.2 | 82% | 0.817 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 122.5 | 178.3 | -177.3 | -177.3 | 176.1 | -175.2 | 0 | 109.8 | ||
| 247 | P | 84.9 | Confident | 85.3 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 141.9 | 178.2 | -25.7 | 35 | 0 | 0 | 0 | 112.5 | M241 P245 D251 M252 F296 | M241-P247 HydrophobicContact CE-CG 3.88Å; M241-P247 HydrophobicContact SD-CG 3.79Å; P245-P247 WeakPolarHBondContact O-CD 3.33Å; P247-D251 HydrophobicContact CB-CB 3.91Å; P247-M252 HydrophobicContact CB-CG 4.17Å; P247-F296 HydrophobicContact CB-CB 4.3Å; P247-F296 HydrophobicContact CB-CD1 3.84Å; P247-F296 HydrophobicContact CB-CD2 4.49Å; P247-F296 HydrophobicContact CB-CE1 4.26Å; P247-F296 HydrophobicContact CB-CG 3.96Å; P247-F296 HydrophobicContact CG-CB 3.91Å; P247-F296 HydrophobicContact CG-CD1 3.89Å; P247-F296 HydrophobicContact CG-CD2 3.64Å; P247-F296 HydrophobicContact CG-CE1 4.31Å; P247-F296 HydrophobicContact CG-CE2 4.08Å; P247-F296 HydrophobicContact CG-CG 3.53Å; P247-F296 HydrophobicContact CG-CZ 4.4Å |
| 248 | T | 87.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 170.7 | 173.3 | 67.6 | 0 | 0 | 0 | 0 | 111.5 | E250 D251 M252 | T248-E250 VanDerWaalsContact C-N 3.27Å; T248-E250 PolarHBondContact O-N 3.07Å; T248-D251 WeakPolarHBondContact CB-OD2 3.33Å; T248-D251 WeakPolarHBondContact CG2-OD2 3.31Å; T248-D251 PolarHBondContact N-OD2 3Å; T248-D251 PolarHBondContact O-N 3.31Å; T248-D251 PolarHBondContact OG1-N 3.26Å; T248-D251 VanDerWaalsContact OG1-N 3.14Å; T248-D251 PolarHBondContact OG1-OD2 3.42Å; T248-M252 WeakPolarHBondContact O-CG 3.44Å; T248-M252 PolarHBondContact O-N 2.88Å |
| 249 | I | 84.7 | Confident | 83.1 | Confident | 140 Ų | 140 | 62 Ų | 62 | 72% | 0.718 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 174.5 | -60.5 | 175.1 | 0 | 0 | 0 | 110.6 | M252 A253 | I249-M252 HydrophobicContact CG1-CE 4.35Å; I249-M252 PolarHBondContact O-N 3.39Å; I249-A253 WeakPolarHBondContact O-CB 3.13Å; I249-A253 PolarHBondContact O-N 2.99Å |
| 250 | E | 87.9 | Confident | 82.2 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 173.7 | -171.8 | -138.4 | 134.9 | 0 | 0 | 111.6 | T248 M252 A253 S254 N297 K300 | T248-E250 VanDerWaalsContact C-N 3.27Å; T248-E250 PolarHBondContact O-N 3.07Å; E250-M252 VanDerWaalsContact C-N 3.35Å; E250-M252 PolarHBondContact O-N 3.43Å; E250-A253 PolarHBondContact O-N 2.97Å; E250-S254 PolarHBondContact O-N 2.77Å; E250-N297 PolarHBondContact OE1-ND2 3.11Å; E250-K300 WeakPolarHBondContact OE1-CE 3.29Å; E250-K300 IonicContact OE1-NZ 3.43Å; E250-K300 PolarHBondContact OE1-NZ 3.35Å; E250-K300 VanDerWaalsContact OE1-NZ 3.09Å; E250-K300 WeakPolarHBondContact OE2-CE 3.49Å; E250-K300 IonicContact OE2-NZ 3.3Å; E250-K300 PolarHBondContact OE2-NZ 3Å |
| 251 | D | 87.5 | Confident | 81.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 179.6 | -58.3 | -45 | 0 | 0 | 0 | 112.4 | P247 T248 S254 H295 F296 N297 K300 | P247-D251 HydrophobicContact CB-CB 3.91Å; T248-D251 WeakPolarHBondContact CB-OD2 3.33Å; T248-D251 WeakPolarHBondContact CG2-OD2 3.31Å; T248-D251 PolarHBondContact N-OD2 3Å; T248-D251 PolarHBondContact O-N 3.31Å; T248-D251 PolarHBondContact OG1-N 3.26Å; T248-D251 VanDerWaalsContact OG1-N 3.14Å; T248-D251 PolarHBondContact OG1-OD2 3.42Å; D251-S254 PolarHBondContact O-OG 2.96Å; D251-H295 IonicContact OD1-CE1 2.75Å; D251-F296 HydrophobicContact CB-CD1 4.15Å; D251-N297 HydrophobicContact CB-CB 3.82Å; D251-N297 WeakPolarHBondContact OD1-CB 3.5Å; D251-N297 PolarHBondContact OD1-ND2 2.93Å; D251-K300 WeakPolarHBondContact OD1-CD 3.44Å; D251-K300 WeakPolarHBondContact OD1-CE 3.46Å; D251-K300 IonicContact OD1-NZ 3.46Å; D251-K300 PolarHBondContact OD1-NZ 3.11Å; D251-K300 IonicContact OD2-NZ 2.67Å |
| 252 | M | 83.1 | Confident | 80.3 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 171.5 | -67.8 | -171.9 | -65.5 | 0 | 0 | 111.7 | P247 T248 I249 E250 S254 V255 L264 | P247-M252 HydrophobicContact CB-CG 4.17Å; T248-M252 WeakPolarHBondContact O-CG 3.44Å; T248-M252 PolarHBondContact O-N 2.88Å; I249-M252 HydrophobicContact CG1-CE 4.35Å; I249-M252 PolarHBondContact O-N 3.39Å; E250-M252 VanDerWaalsContact C-N 3.35Å; E250-M252 PolarHBondContact O-N 3.43Å; M252-S254 VanDerWaalsContact C-N 3.27Å; M252-S254 PolarHBondContact O-N 2.99Å; M252-V255 PolarHBondContact O-N 3Å; M252-V255 VanDerWaalsContact O-N 3.09Å; M252-L264 HydrophobicContact CG-CD1 4.41Å; M252-L264 HydrophobicContact SD-CD1 4.4Å |
| 253 | A | 82.5 | Confident | 79.5 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 55% | 0.554 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65 | -28.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I249 E250 V255 | I249-A253 WeakPolarHBondContact O-CB 3.13Å; I249-A253 PolarHBondContact O-N 2.99Å; E250-A253 PolarHBondContact O-N 2.97Å; A253-V255 PolarHBondContact O-N 3.24Å |
| 254 | S | 82.2 | Confident | 78.8 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -30 | 172.3 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | E250 D251 M252 K256 N297 | E250-S254 PolarHBondContact O-N 2.77Å; D251-S254 PolarHBondContact O-OG 2.96Å; M252-S254 VanDerWaalsContact C-N 3.27Å; M252-S254 PolarHBondContact O-N 2.99Å; S254-K256 PolarHBondContact O-N 3.19Å; S254-K256 VanDerWaalsContact O-N 3.14Å; S254-N297 PolarHBondContact OG-OD1 3.41Å |
| 255 | V | 76.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -89.9 | 77.5 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | E197 L200 C202 M252 A253 S257 F296 | E197-V255 HydrophobicContact CB-CG1 4.2Å; L200-V255 HydrophobicContact CB-CG1 4.02Å; L200-V255 HydrophobicContact CD1-CG1 3.85Å; C202-V255 HydrophobicContact CB-CG1 4.12Å; M252-V255 PolarHBondContact O-N 3Å; M252-V255 VanDerWaalsContact O-N 3.09Å; A253-V255 PolarHBondContact O-N 3.24Å; V255-S257 PolarHBondContact O-N 2.64Å; V255-F296 HydrophobicContact CG2-CD1 4.35Å; V255-F296 HydrophobicContact CG2-CE1 3.63Å; V255-F296 HydrophobicContact CG2-CZ 4.19Å |
| 256 | K | 71 | Confident | 77 | Confident | 155 Ų | 155 | 74.6 Ų | 74.6 | 67% | 0.674 | 39% | 0.387 | S | S | * | . | trans | -64.3 | 67.9 | 175.8 | -60.3 | -174.4 | -179.4 | -174.7 | 0 | 112.7 | S254 | S254-K256 PolarHBondContact O-N 3.19Å; S254-K256 VanDerWaalsContact O-N 3.14Å | ||
| 257 | S | 71.5 | Confident | 76.4 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | trans | -118.8 | 135.6 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | L200 V255 Y259 S260 | L200-S257 VanDerWaalsContact O-CB 3.23Å; L200-S257 WeakPolarHBondContact O-CB 3.36Å; L200-S257 PolarHBondContact O-OG 2.56Å; V255-S257 PolarHBondContact O-N 2.64Å; S257-Y259 PolarHBondContact O-N 3.01Å; S257-Y259 PolarHBondContact OG-N 3.01Å; S257-Y259 VanDerWaalsContact OG-N 3.1Å; S257-S260 PolarHBondContact O-N 3.24Å; S257-S260 PolarHBondContact O-OG 2.92Å; S257-S260 VanDerWaalsContact O-OG 3.06Å | ||
| 258 | P | 66.1 | Low | 75.6 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | 174.3 | 30.1 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 259 | Y | 67.1 | Low | 74.7 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -12.6 | -179.5 | -54.4 | -70.8 | 0 | 0 | 0 | 113.6 | L184 S257 S261 S262 I263 | L184-Y259 HydrophobicContact CD1-CE2 4.23Å; S257-Y259 PolarHBondContact O-N 3.01Å; S257-Y259 PolarHBondContact OG-N 3.01Å; S257-Y259 VanDerWaalsContact OG-N 3.1Å; Y259-S261 PolarHBondContact O-N 3.43Å; Y259-S262 PolarHBondContact O-N 3.3Å; Y259-S262 PolarHBondContact O-OG 3.35Å; Y259-I263 WeakPolarHBondContact O-CG1 3.41Å; Y259-I263 PolarHBondContact O-N 3.49Å |
| 260 | S | 71.4 | Confident | 73.7 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | -169.2 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | S257 S262 I263 L264 | S257-S260 PolarHBondContact O-N 3.24Å; S257-S260 PolarHBondContact O-OG 2.92Å; S257-S260 VanDerWaalsContact O-OG 3.06Å; S260-S262 PolarHBondContact O-N 2.6Å; S260-I263 PolarHBondContact O-N 2.97Å; S260-L264 VanDerWaalsContact O-CB 3.23Å; S260-L264 WeakPolarHBondContact O-CB 3.41Å; S260-L264 WeakPolarHBondContact O-CG 3.35Å; S260-L264 PolarHBondContact O-N 2.89Å |
| 261 | S | 70.8 | Confident | 72.2 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -52.7 | -54.7 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | Y259 I263 L264 Q265 | Y259-S261 PolarHBondContact O-N 3.43Å; S261-I263 VanDerWaalsContact C-N 3.3Å; S261-I263 PolarHBondContact O-N 3.48Å; S261-L264 PolarHBondContact O-N 3.29Å; S261-Q265 VanDerWaalsContact O-CB 3.27Å; S261-Q265 WeakPolarHBondContact O-CB 3.39Å; S261-Q265 WeakPolarHBondContact O-CG 3.27Å; S261-Q265 PolarHBondContact O-N 3.45Å |
| 262 | S | 71.1 | Confident | 71.4 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.1 | -30.5 | -175.7 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | Y259 S260 K266 | Y259-S262 PolarHBondContact O-N 3.3Å; Y259-S262 PolarHBondContact O-OG 3.35Å; S260-S262 PolarHBondContact O-N 2.6Å; S262-K266 WeakPolarHBondContact O-CD 3.29Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.43Å |
| 263 | I | 73 | Confident | 71.2 | Confident | 40 Ų | 40 | 83.2 Ų | 83.2 | 21% | 0.205 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -85.9 | -43.2 | 179.7 | -65.1 | 171.5 | 0 | 0 | 0 | 110.4 | L200 L234 I237 Y259 S260 S261 K266 A267 | L200-I263 HydrophobicContact CD2-CB 3.92Å; L200-I263 HydrophobicContact CD2-CD1 3.89Å; L200-I263 HydrophobicContact CD2-CG1 4.49Å; L200-I263 HydrophobicContact CD2-CG2 3.85Å; L234-I263 HydrophobicContact CD1-CG2 4.05Å; I237-I263 HydrophobicContact CD1-CG2 3.71Å; I237-I263 HydrophobicContact CG2-CG2 4.41Å; Y259-I263 WeakPolarHBondContact O-CG1 3.41Å; Y259-I263 PolarHBondContact O-N 3.49Å; S260-I263 PolarHBondContact O-N 2.97Å; S261-I263 VanDerWaalsContact C-N 3.3Å; S261-I263 PolarHBondContact O-N 3.48Å; I263-K266 PolarHBondContact O-N 3.28Å; I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 3.46Å |
| 264 | L | 74.8 | Confident | 71.5 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 17% | 0.168 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.6 | -29.9 | -179.9 | -65 | 171.2 | 0 | 0 | 0 | 112.4 | I237 M241 M252 S260 S261 F296 | I237-L264 HydrophobicContact CG2-CD2 4.12Å; M241-L264 HydrophobicContact CE-CD2 4.01Å; M241-L264 HydrophobicContact CG-CD2 4.22Å; M241-L264 HydrophobicContact SD-CD2 3.94Å; M252-L264 HydrophobicContact CG-CD1 4.41Å; M252-L264 HydrophobicContact SD-CD1 4.4Å; S260-L264 VanDerWaalsContact O-CB 3.23Å; S260-L264 WeakPolarHBondContact O-CB 3.41Å; S260-L264 WeakPolarHBondContact O-CG 3.35Å; S260-L264 PolarHBondContact O-N 2.89Å; S261-L264 PolarHBondContact O-N 3.29Å; L264-F296 HydrophobicContact CD1-CZ 4.48Å |
| 265 | Q | 71.5 | Confident | 71.9 | Confident | 157 Ų | 157 | 80.5 Ų | 80.5 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.4 | -34.5 | 170.2 | -74.2 | 170.8 | -10.9 | 0 | 0 | 112.8 | S261 | S261-Q265 VanDerWaalsContact O-CB 3.27Å; S261-Q265 WeakPolarHBondContact O-CB 3.39Å; S261-Q265 WeakPolarHBondContact O-CG 3.27Å; S261-Q265 PolarHBondContact O-N 3.45Å |
| 266 | K | 69.6 | Low | 72.6 | Confident | 143 Ų | 143 | 84.5 Ų | 84.5 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -84.6 | -12.1 | 178.8 | -70.6 | 177 | -175.3 | 177.5 | 0 | 113.6 | S262 I263 H268 | S262-K266 WeakPolarHBondContact O-CD 3.29Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.43Å; I263-K266 PolarHBondContact O-N 3.28Å; K266-H268 PolarHBondContact O-N 2.91Å; K266-H268 VanDerWaalsContact O-N 3.08Å |
| 267 | A | 70.3 | Confident | 73.6 | Confident | 10 Ų | 10 | 82.5 Ų | 82.5 | 8% | 0.083 | 41% | 0.409 | C | S | . | . | trans | -69.9 | 99.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E238 I263 I269 | E238-A267 HydrophobicContact CG-CB 3.78Å; I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 3.46Å; A267-I269 PolarHBondContact O-N 2.93Å | ||
| 268 | H | 68.1 | Low | 74.4 | Confident | 119 Ų | 119 | 83.6 Ų | 83.6 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | trans | -80 | 93.5 | 179.2 | -72.4 | -58.5 | 0 | 0 | 0 | 110.3 | E238 K266 K270 R272 | E238-H268 PolarHBondContact OE1-N 2.8Å; K266-H268 PolarHBondContact O-N 2.91Å; K266-H268 VanDerWaalsContact O-N 3.08Å; H268-K270 HydrophobicContact CB-CD 4.42Å; H268-K270 HydrophobicContact CB-CG 4.4Å; H268-K270 PolarHBondContact O-N 3.05Å; H268-R272 PolarHBondContact O-NH2 2.89Å; H268-R272 VanDerWaalsContact O-NH2 3.13Å | ||
| 269 | I | 69.2 | Low | 75.6 | Confident | 97 Ų | 97 | 79.6 Ų | 79.6 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | trans | -69.4 | 79.8 | 175.7 | -48.4 | 179.1 | 0 | 0 | 0 | 109.8 | M241 A267 | M241-I269 HydrophobicContact CB-CD1 4.12Å; M241-I269 HydrophobicContact CB-CG1 4.38Å; A267-I269 PolarHBondContact O-N 2.93Å | ||
| 270 | K | 62.7 | Low | 76.7 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | trans | -111.6 | 131.1 | 176.4 | -65.9 | 178.9 | 177.5 | 178.2 | 0 | 110.4 | H268 R272 | H268-K270 HydrophobicContact CB-CD 4.42Å; H268-K270 HydrophobicContact CB-CG 4.4Å; H268-K270 PolarHBondContact O-N 3.05Å; K270-R272 WeakPolarHBondContact O-CG 3.46Å; K270-R272 PolarHBondContact O-N 3.16Å; K270-R272 PolarHBondContact O-NE 3.25Å | ||
| 271 | N | 56.4 | Low | 77.6 | Confident | 176 Ų | 176 | 87.2 Ų | 87.2 | 94% | 0.941 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 37 | 72.1 | 168.8 | -67 | 2.7 | 0 | 0 | 0 | 115.7 | ||
| 272 | R | 70 | Confident | 78.7 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | trans | -124 | 147.6 | 176.8 | -45.9 | -161.6 | -173.5 | -142 | 2.5 | 109.3 | D235 E238 G242 H268 K270 | D235-R272 IonicContact OD1-NH1 2.79Å; E238-R272 VanDerWaalsContact O-CD 3.27Å; E238-R272 WeakPolarHBondContact O-CD 3.12Å; E238-R272 IonicContact OE2-CZ 2.71Å; E238-R272 IonicContact OE2-NH1 3.56Å; E238-R272 IonicContact OE2-NH2 3.93Å; E238-R272 PolarHBondContact OE2-NH2 3.19Å; G242-R272 WeakPolarHBondContact O-CB 3.36Å; H268-R272 PolarHBondContact O-NH2 2.89Å; H268-R272 VanDerWaalsContact O-NH2 3.13Å; K270-R272 WeakPolarHBondContact O-CG 3.46Å; K270-R272 PolarHBondContact O-N 3.16Å; K270-R272 PolarHBondContact O-NE 3.25Å | ||
| 273 | R | 79.9 | Confident | 79.8 | Confident | 163 Ų | 163 | 87 Ų | 87 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | trans | -79.9 | 132 | 179.1 | -79.1 | -177.1 | -81.7 | 166.3 | -4.8 | 109.1 | A243 Q277 L278 | A243-R273 WeakPolarHBondContact CA-O 3.38Å; R273-Q277 VanDerWaalsContact CA-OE1 3.31Å; R273-Q277 HydrophobicContact CB-CB 4Å; R273-Q277 HydrophobicContact CG-CB 4.27Å; R273-L278 HydrophobicContact CB-CD2 3.9Å; R273-L278 HydrophobicContact CB-CG 4.06Å | ||
| 274 | S | 89.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 93.8 Ų | 93.8 | 25% | 0.245 | 45% | 0.451 | C | S | . | . | trans | -62.2 | 161.3 | 172.3 | 74.1 | 0 | 0 | 0 | 0 | 110.7 | A243 D276 Q277 L278 | A243-S274 CarbonylContact O-C 3.43Å; A243-S274 WeakPolarHBondContact O-CA 3.02Å; S274-D276 PolarHBondContact O-N 2.86Å; S274-Q277 WeakPolarHBondContact O-CB 3.18Å; S274-Q277 PolarHBondContact O-N 2.68Å; S274-Q277 WeakPolarHBondContact OG-CG 3.42Å; S274-Q277 PolarHBondContact OG-N 3.47Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 2.77Å; S274-L278 VanDerWaalsContact O-N 3.07Å | ||
| 275 | L | 90.8 | Very high | 82 | Confident | 0 Ų | 0 | 94.6 Ų | 94.6 | 0% | 0 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.3 | -36.6 | 177 | -171.4 | 58.2 | 0 | 0 | 0 | 111.4 | L227 A243 L244 Q277 L278 L279 M290 Y291 L294 | L227-L275 HydrophobicContact CD1-CD1 4.05Å; L227-L275 HydrophobicContact CD2-CD1 4.11Å; A243-L275 PolarHBondContact O-N 3.24Å; L244-L275 HydrophobicContact CD2-CD2 4.11Å; L275-Q277 PolarHBondContact O-N 3.34Å; L275-L278 CarbonylContact O-C 3.48Å; L275-L278 WeakPolarHBondContact O-CB 3.31Å; L275-L278 PolarHBondContact O-N 3.27Å; L275-L278 VanDerWaalsContact O-N 3.12Å; L275-L279 HydrophobicContact CD1-CD1 3.81Å; L275-L279 HydrophobicContact CD1-CG 4.04Å; L275-L279 HydrophobicContact CD2-CD1 4.37Å; L275-L279 HydrophobicContact CG-CD1 3.74Å; L275-L279 HydrophobicContact CG-CG 4.29Å; L275-L279 WeakPolarHBondContact O-CB 3.4Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.42Å; L275-M290 HydrophobicContact CD1-CE 4.25Å; L275-Y291 HydrophobicContact CB-CE1 4.33Å; L275-Y291 HydrophobicContact CD2-CD1 4.04Å; L275-Y291 HydrophobicContact CD2-CE1 3.79Å; L275-Y291 HydrophobicContact CD2-CE2 4.44Å; L275-Y291 HydrophobicContact CD2-CG 4.46Å; L275-Y291 HydrophobicContact CG-CE1 4.48Å; L275-L294 HydrophobicContact CD1-CD1 4.45Å; L275-L294 HydrophobicContact CD2-CD1 4.14Å |
| 276 | D | 90.4 | Very high | 83.2 | Confident | 87 Ų | 87 | 87.1 Ų | 87.1 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.2 | -40.6 | -68.3 | 0 | 0 | 0 | 112.7 | S274 L278 L279 I280 Y291 | S274-D276 PolarHBondContact O-N 2.86Å; D276-L278 PolarHBondContact O-N 2.97Å; D276-L279 CarbonylContact O-C 3.6Å; D276-L279 PolarHBondContact O-N 2.94Å; D276-L279 VanDerWaalsContact O-N 3.17Å; D276-I280 WeakPolarHBondContact O-CA 3.41Å; D276-I280 PolarHBondContact O-N 2.85Å; D276-Y291 PolarHBondContact OD1-OH 3Å; D276-Y291 PolarHBondContact OD2-OH 2.89Å |
| 277 | Q | 90.7 | Very high | 84.5 | Confident | 113 Ų | 113 | 81.3 Ų | 81.3 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.5 | -18.3 | 176.5 | -68.9 | 174 | -1 | 0 | 0 | 113 | R273 S274 L275 | R273-Q277 VanDerWaalsContact CA-OE1 3.31Å; R273-Q277 HydrophobicContact CB-CB 4Å; R273-Q277 HydrophobicContact CG-CB 4.27Å; S274-Q277 WeakPolarHBondContact O-CB 3.18Å; S274-Q277 PolarHBondContact O-N 2.68Å; S274-Q277 WeakPolarHBondContact OG-CG 3.42Å; S274-Q277 PolarHBondContact OG-N 3.47Å; L275-Q277 PolarHBondContact O-N 3.34Å |
| 278 | L | 89.8 | Confident | 85.8 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -87.6 | -28.1 | 170.7 | -62.7 | 172.9 | 0 | 0 | 0 | 111.8 | L227 R273 S274 L275 D276 | L227-L278 HydrophobicContact CD1-CB 4.35Å; L227-L278 HydrophobicContact CD1-CD1 3.94Å; R273-L278 HydrophobicContact CB-CD2 3.9Å; R273-L278 HydrophobicContact CB-CG 4.06Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 2.77Å; S274-L278 VanDerWaalsContact O-N 3.07Å; L275-L278 CarbonylContact O-C 3.48Å; L275-L278 WeakPolarHBondContact O-CB 3.31Å; L275-L278 PolarHBondContact O-N 3.27Å; L275-L278 VanDerWaalsContact O-N 3.12Å; D276-L278 PolarHBondContact O-N 2.97Å |
| 279 | L | 91.6 | Very high | 87.2 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -108 | 15.3 | -175.4 | -59.3 | -178.3 | 0 | 0 | 0 | 114.1 | I223 L275 D276 N281 V282 T287 M290 | I223-L279 HydrophobicContact CG2-CD2 4.02Å; L275-L279 HydrophobicContact CD1-CD1 3.81Å; L275-L279 HydrophobicContact CD1-CG 4.04Å; L275-L279 HydrophobicContact CD2-CD1 4.37Å; L275-L279 HydrophobicContact CG-CD1 3.74Å; L275-L279 HydrophobicContact CG-CG 4.29Å; L275-L279 WeakPolarHBondContact O-CB 3.4Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.42Å; D276-L279 CarbonylContact O-C 3.6Å; D276-L279 PolarHBondContact O-N 2.94Å; D276-L279 VanDerWaalsContact O-N 3.17Å; L279-N281 PolarHBondContact O-N 3.45Å; L279-V282 HydrophobicContact CB-CB 4.09Å; L279-V282 HydrophobicContact CB-CG2 4.2Å; L279-V282 HydrophobicContact CD2-CB 4.37Å; L279-V282 HydrophobicContact CD2-CG1 4.44Å; L279-V282 HydrophobicContact CD2-CG2 3.91Å; L279-V282 VanDerWaalsContact O-CB 3.28Å; L279-V282 WeakPolarHBondContact O-CB 3.3Å; L279-V282 PolarHBondContact O-N 3.4Å; L279-T287 HydrophobicContact CB-CG2 4.49Å; L279-T287 HydrophobicContact CD1-CG2 3.92Å; L279-M290 HydrophobicContact CD1-CB 4.34Å; L279-M290 HydrophobicContact CD1-CE 3.93Å; L279-M290 HydrophobicContact CD1-SD 3.74Å; L279-M290 HydrophobicContact CD2-CE 3.95Å; L279-M290 HydrophobicContact CD2-SD 3.78Å; L279-M290 HydrophobicContact CG-CE 4.49Å; L279-M290 HydrophobicContact CG-SD 4.44Å |
| 280 | I | 90.4 | Very high | 88.6 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 70% | 0.703 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.6 | -173.2 | -169.8 | 169 | 0 | 0 | 0 | 114.8 | D276 | D276-I280 WeakPolarHBondContact O-CA 3.41Å; D276-I280 PolarHBondContact O-N 2.85Å |
| 281 | N | 89.9 | Confident | 90.2 | Very high | 158 Ų | 158 | 70 Ų | 70 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 20.9 | 179.4 | -63.1 | -21.8 | 0 | 0 | 0 | 112.9 | L279 | L279-N281 PolarHBondContact O-N 3.45Š|
| 282 | V | 93.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -106.1 | 145.8 | -174.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | L222 I223 L279 K284 A286 | L222-V282 HydrophobicContact CB-CG1 4.44Å; L222-V282 HydrophobicContact CB-CG2 4.23Å; L222-V282 HydrophobicContact CD1-CG1 3.86Å; L222-V282 HydrophobicContact CD2-CG1 4.16Å; L222-V282 HydrophobicContact CG-CG1 4.38Å; I223-V282 HydrophobicContact CG2-CG2 4.34Å; L279-V282 HydrophobicContact CB-CB 4.09Å; L279-V282 HydrophobicContact CB-CG2 4.2Å; L279-V282 HydrophobicContact CD2-CB 4.37Å; L279-V282 HydrophobicContact CD2-CG1 4.44Å; L279-V282 HydrophobicContact CD2-CG2 3.91Å; L279-V282 VanDerWaalsContact O-CB 3.28Å; L279-V282 WeakPolarHBondContact O-CB 3.3Å; L279-V282 PolarHBondContact O-N 3.4Å; V282-K284 PolarHBondContact O-N 3.17Å; V282-A286 HydrophobicContact CG1-CB 3.89Å |
| 283 | D | 93.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | trans | -53.1 | 137.9 | 175.1 | 166.5 | 55.9 | 0 | 0 | 0 | 112.4 | T285 A286 T287 | D283-T285 VanDerWaalsContact C-N 3.3Å; D283-T285 PolarHBondContact O-N 3.34Å; D283-T285 PolarHBondContact OD1-N 2.97Å; D283-T285 WeakPolarHBondContact OD2-CA 3.45Å; D283-T285 WeakPolarHBondContact OD2-CB 3.43Å; D283-T285 PolarHBondContact OD2-N 3.37Å; D283-T285 PolarHBondContact OD2-OG1 3.47Å; D283-A286 HydrophobicContact CB-CB 4.16Å; D283-A286 WeakPolarHBondContact O-CB 3.34Å; D283-A286 PolarHBondContact O-N 3.31Å; D283-A286 VanDerWaalsContact O-N 3.16Å; D283-A286 PolarHBondContact OD2-N 2.9Å; D283-T287 PolarHBondContact O-N 3.46Å; D283-T287 PolarHBondContact O-OG1 2.8Å | ||
| 284 | K | 96.1 | Very high | 94.3 | Very high | 183 Ų | 183 | 54.8 Ų | 54.8 | 80% | 0.796 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.9 | -34.2 | -177.4 | -66.4 | -174.7 | 178.6 | -177.9 | 0 | 112.6 | V282 T287 D288 | V282-K284 PolarHBondContact O-N 3.17Å; K284-T287 PolarHBondContact O-N 3.42Å; K284-D288 VanDerWaalsContact O-CB 3.3Å; K284-D288 WeakPolarHBondContact O-CB 3.37Å; K284-D288 PolarHBondContact O-N 3.45Å |
| 285 | T | 97.5 | Very high | 94.6 | Very high | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.2 | -31.9 | 178.1 | 78.4 | 0 | 0 | 0 | 0 | 111.9 | D283 L289 H310 P311 Y312 | D283-T285 VanDerWaalsContact C-N 3.3Å; D283-T285 PolarHBondContact O-N 3.34Å; D283-T285 PolarHBondContact OD1-N 2.97Å; D283-T285 WeakPolarHBondContact OD2-CA 3.45Å; D283-T285 WeakPolarHBondContact OD2-CB 3.43Å; D283-T285 PolarHBondContact OD2-N 3.37Å; D283-T285 PolarHBondContact OD2-OG1 3.47Å; T285-L289 PolarHBondContact O-N 3.09Å; T285-L289 VanDerWaalsContact O-N 3.1Å; T285-H310 PolarHBondContact O-CE1 3.01Å; T285-H310 VanDerWaalsContact O-CE1 3.29Å; T285-P311 HydrophobicContact CG2-CB 4.33Å; T285-Y312 WeakPolarHBondContact OG1-CA 3.48Å; T285-Y312 WeakPolarHBondContact OG1-CB 3.18Å |
| 286 | A | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L222 V282 D283 L289 M290 Y312 | L222-A286 HydrophobicContact CD1-CB 3.91Å; L222-A286 HydrophobicContact CD2-CB 4.36Å; V282-A286 HydrophobicContact CG1-CB 3.89Å; D283-A286 HydrophobicContact CB-CB 4.16Å; D283-A286 WeakPolarHBondContact O-CB 3.34Å; D283-A286 PolarHBondContact O-N 3.31Å; D283-A286 VanDerWaalsContact O-N 3.16Å; D283-A286 PolarHBondContact OD2-N 2.9Å; A286-L289 PolarHBondContact O-N 2.94Å; A286-M290 WeakPolarHBondContact O-CG 3.3Å; A286-M290 PolarHBondContact O-N 3.39Å; A286-Y312 HydrophobicContact CB-CD2 3.56Å; A286-Y312 HydrophobicContact CB-CE1 4.49Å; A286-Y312 HydrophobicContact CB-CE2 3.35Å; A286-Y312 HydrophobicContact CB-CG 4.22Å |
| 287 | T | 96.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.1 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | L279 D283 K284 M290 Y291 | L279-T287 HydrophobicContact CB-CG2 4.49Å; L279-T287 HydrophobicContact CD1-CG2 3.92Å; D283-T287 PolarHBondContact O-N 3.46Å; D283-T287 PolarHBondContact O-OG1 2.8Å; K284-T287 PolarHBondContact O-N 3.42Å; T287-M290 PolarHBondContact O-N 3.2Å; T287-Y291 HydrophobicContact CG2-CD2 3.9Å; T287-Y291 HydrophobicContact CG2-CE2 3.85Å; T287-Y291 WeakPolarHBondContact O-CD2 3.35Å; T287-Y291 PolarHBondContact O-N 2.94Å |
| 288 | D | 97.5 | Very high | 94.8 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.9 | -44 | 173 | 174.7 | 48.8 | 0 | 0 | 0 | 112.3 | K284 M290 Y291 K292 H310 | K284-D288 VanDerWaalsContact O-CB 3.3Å; K284-D288 WeakPolarHBondContact O-CB 3.37Å; K284-D288 PolarHBondContact O-N 3.45Å; D288-M290 PolarHBondContact O-N 3.13Å; D288-Y291 PolarHBondContact O-N 3.17Å; D288-K292 WeakPolarHBondContact O-CD 3.31Å; D288-K292 WeakPolarHBondContact O-CG 3.32Å; D288-K292 PolarHBondContact O-N 2.98Å; D288-K292 VanDerWaalsContact O-N 3.1Å; D288-K292 VanDerWaalsContact OD1-CE 3.26Å; D288-K292 WeakPolarHBondContact OD1-CE 3.18Å; D288-K292 IonicContact OD1-NZ 3.98Å; D288-K292 PolarHBondContact OD1-NZ 3.25Å; D288-K292 IonicContact OD2-NZ 3.09Å; D288-K292 PolarHBondContact OD2-NZ 3.48Å; D288-H310 IonicContact OD2-CD2 2.68Å; D288-H310 IonicContact OD2-CE1 3Å; D288-H310 PolarHBondContact OD2-CE1 2.94Å; D288-H310 IonicContact OD2-NE2 2.64Å; D288-H310 PolarHBondContact OD2-NE2 3.48Å |
| 289 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 173.9 | -174.7 | 55.7 | 0 | 0 | 0 | 111.9 | M118 L218 T285 A286 K292 M293 A307 H310 Y312 | M118-L289 HydrophobicContact CG-CD2 4.44Å; L218-L289 HydrophobicContact CD2-CB 4.42Å; L218-L289 HydrophobicContact CD2-CD2 3.96Å; L218-L289 HydrophobicContact CD2-CG 4.16Å; T285-L289 PolarHBondContact O-N 3.09Å; T285-L289 VanDerWaalsContact O-N 3.1Å; A286-L289 PolarHBondContact O-N 2.94Å; L289-K292 PolarHBondContact O-N 3.46Å; L289-M293 HydrophobicContact CD1-CE 3.83Å; L289-M293 HydrophobicContact CD1-CG 4.45Å; L289-M293 HydrophobicContact CD1-SD 4.43Å; L289-M293 HydrophobicContact CD2-CE 4.13Å; L289-M293 HydrophobicContact CG-CE 3.88Å; L289-M293 HydrophobicContact CG-SD 4.11Å; L289-M293 VanDerWaalsContact O-CG 3.32Å; L289-M293 WeakPolarHBondContact O-CG 3.35Å; L289-M293 PolarHBondContact O-N 3.19Å; L289-A307 HydrophobicContact CD1-CB 4.14Å; L289-H310 HydrophobicContact CD1-CB 4.03Å; L289-Y312 HydrophobicContact CD2-CD1 3.83Å; L289-Y312 HydrophobicContact CD2-CG 4.46Å |
| 290 | M | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.9 | -76 | -174 | 65.2 | 0 | 0 | 112.3 | L218 L222 L227 L275 L279 A286 T287 D288 K292 M293 L294 | L218-M290 HydrophobicContact CB-CG 4.35Å; L218-M290 HydrophobicContact CD2-CG 3.71Å; L218-M290 HydrophobicContact CG-CG 3.89Å; L218-M290 HydrophobicContact CG-SD 4.26Å; L222-M290 HydrophobicContact CD1-SD 3.77Å; L227-M290 HydrophobicContact CD1-CE 4.44Å; L227-M290 HydrophobicContact CD2-CE 3.72Å; L275-M290 HydrophobicContact CD1-CE 4.25Å; L279-M290 HydrophobicContact CD1-CB 4.34Å; L279-M290 HydrophobicContact CD1-CE 3.93Å; L279-M290 HydrophobicContact CD1-SD 3.74Å; L279-M290 HydrophobicContact CD2-CE 3.95Å; L279-M290 HydrophobicContact CD2-SD 3.78Å; L279-M290 HydrophobicContact CG-CE 4.49Å; L279-M290 HydrophobicContact CG-SD 4.44Å; A286-M290 WeakPolarHBondContact O-CG 3.3Å; A286-M290 PolarHBondContact O-N 3.39Å; T287-M290 PolarHBondContact O-N 3.2Å; D288-M290 PolarHBondContact O-N 3.13Å; M290-K292 VanDerWaalsContact C-N 3.34Å; M290-K292 PolarHBondContact O-N 3.04Å; M290-M293 PolarHBondContact O-N 3.35Å; M290-M293 VanDerWaalsContact O-N 3.16Å; M290-L294 HydrophobicContact CB-CD1 4.47Å; M290-L294 HydrophobicContact CE-CD1 3.82Å; M290-L294 VanDerWaalsContact O-CB 3.31Å; M290-L294 WeakPolarHBondContact O-CB 3.5Å; M290-L294 WeakPolarHBondContact O-CG 3.23Å; M290-L294 PolarHBondContact O-N 3.48Å |
| 291 | Y | 96.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 29% | 0.29 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.6 | -89.5 | -64.4 | 0 | 0 | 0 | 112.3 | L275 D276 T287 D288 M293 | L275-Y291 HydrophobicContact CB-CE1 4.33Å; L275-Y291 HydrophobicContact CD2-CD1 4.04Å; L275-Y291 HydrophobicContact CD2-CE1 3.79Å; L275-Y291 HydrophobicContact CD2-CE2 4.44Å; L275-Y291 HydrophobicContact CD2-CG 4.46Å; L275-Y291 HydrophobicContact CG-CE1 4.48Å; D276-Y291 PolarHBondContact OD1-OH 3Å; D276-Y291 PolarHBondContact OD2-OH 2.89Å; T287-Y291 HydrophobicContact CG2-CD2 3.9Å; T287-Y291 HydrophobicContact CG2-CE2 3.85Å; T287-Y291 WeakPolarHBondContact O-CD2 3.35Å; T287-Y291 PolarHBondContact O-N 2.94Å; D288-Y291 PolarHBondContact O-N 3.17Å; Y291-M293 VanDerWaalsContact C-N 3.26Å; Y291-M293 PolarHBondContact O-N 2.86Å |
| 292 | K | 97.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 44 Ų | 44 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -24.7 | 174.7 | -76.6 | 161.1 | 174.9 | 155.3 | 0 | 113.6 | D288 L289 M290 R301 I302 | D288-K292 WeakPolarHBondContact O-CD 3.31Å; D288-K292 WeakPolarHBondContact O-CG 3.32Å; D288-K292 PolarHBondContact O-N 2.98Å; D288-K292 VanDerWaalsContact O-N 3.1Å; D288-K292 VanDerWaalsContact OD1-CE 3.26Å; D288-K292 WeakPolarHBondContact OD1-CE 3.18Å; D288-K292 IonicContact OD1-NZ 3.98Å; D288-K292 PolarHBondContact OD1-NZ 3.25Å; D288-K292 IonicContact OD2-NZ 3.09Å; D288-K292 PolarHBondContact OD2-NZ 3.48Å; L289-K292 PolarHBondContact O-N 3.46Å; M290-K292 VanDerWaalsContact C-N 3.34Å; M290-K292 PolarHBondContact O-N 3.04Å; K292-R301 WeakPolarHBondContact O-CA 3.38Å; K292-I302 HydrophobicContact CB-CB 4.06Å; K292-I302 HydrophobicContact CB-CD1 4.43Å; K292-I302 HydrophobicContact CB-CG2 3.89Å; K292-I302 HydrophobicContact CD-CD1 4.42Å; K292-I302 WeakPolarHBondContact O-CG2 3.46Å; K292-I302 PolarHBondContact O-N 3.35Å |
| 293 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -90.3 | -38.7 | 176.9 | -72 | 177.5 | 166.8 | 0 | 0 | 114 | M118 L122 I211 L214 L218 L289 M290 Y291 H295 R301 I302 A307 | M118-M293 HydrophobicContact CE-CE 4.09Å; L122-M293 HydrophobicContact CD1-CE 4.43Å; L122-M293 HydrophobicContact CD2-CE 3.89Å; I211-M293 HydrophobicContact CG2-CB 4.01Å; I211-M293 HydrophobicContact CG2-CG 3.78Å; L214-M293 HydrophobicContact CB-CE 4.42Å; L214-M293 HydrophobicContact CB-SD 4.35Å; L218-M293 HydrophobicContact CD2-SD 4.44Å; L289-M293 HydrophobicContact CD1-CE 3.83Å; L289-M293 HydrophobicContact CD1-CG 4.45Å; L289-M293 HydrophobicContact CD1-SD 4.43Å; L289-M293 HydrophobicContact CD2-CE 4.13Å; L289-M293 HydrophobicContact CG-CE 3.88Å; L289-M293 HydrophobicContact CG-SD 4.11Å; L289-M293 VanDerWaalsContact O-CG 3.32Å; L289-M293 WeakPolarHBondContact O-CG 3.35Å; L289-M293 PolarHBondContact O-N 3.19Å; M290-M293 PolarHBondContact O-N 3.35Å; M290-M293 VanDerWaalsContact O-N 3.16Å; Y291-M293 VanDerWaalsContact C-N 3.26Å; Y291-M293 PolarHBondContact O-N 2.86Å; M293-H295 VanDerWaalsContact C-N 3.33Å; M293-H295 PolarHBondContact O-N 3.49Å; M293-R301 WeakPolarHBondContact O-CD 3.32Å; M293-I302 HydrophobicContact CG-CG2 4.03Å; M293-A307 HydrophobicContact CE-CB 4.23Å |
| 294 | L | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | -95.1 | 33 | -170 | -63.4 | 176.1 | 0 | 0 | 0 | 113.2 | W212 L227 F228 L244 L275 M290 | W212-L294 HydrophobicContact CD2-CD2 3.98Å; W212-L294 HydrophobicContact CE3-CD2 4.05Å; W212-L294 HydrophobicContact CG-CD2 4.47Å; W212-L294 HydrophobicContact CH2-CD2 4.32Å; W212-L294 HydrophobicContact CZ2-CD2 4.27Å; W212-L294 HydrophobicContact CZ3-CB 4.23Å; W212-L294 HydrophobicContact CZ3-CD2 4.24Å; W212-L294 WeakPolarHBondContact CZ3-O 3.41Å; L227-L294 HydrophobicContact CD2-CD1 3.54Å; F228-L294 HydrophobicContact CE2-CD1 4.46Å; F228-L294 HydrophobicContact CE2-CD2 4.38Å; F228-L294 HydrophobicContact CZ-CD1 4.49Å; L244-L294 WeakPolarHBondContact CD1-O 3.35Å; L244-L294 HydrophobicContact CD2-CB 4.27Å; L244-L294 WeakPolarHBondContact CD2-O 3.36Å; L275-L294 HydrophobicContact CD1-CD1 4.45Å; L275-L294 HydrophobicContact CD2-CD1 4.14Å; M290-L294 HydrophobicContact CB-CD1 4.47Å; M290-L294 HydrophobicContact CE-CD1 3.82Å; M290-L294 VanDerWaalsContact O-CB 3.31Å; M290-L294 WeakPolarHBondContact O-CB 3.5Å; M290-L294 WeakPolarHBondContact O-CG 3.23Å; M290-L294 PolarHBondContact O-N 3.48Å | ||
| 295 | H | 94.2 | Very high | 96.3 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | trans | -72.8 | 139.8 | 174.2 | -159.3 | -78.1 | 0 | 0 | 0 | 111.2 | D251 M293 N297 K300 R301 | D251-H295 IonicContact OD1-CE1 2.75Å; M293-H295 VanDerWaalsContact C-N 3.33Å; M293-H295 PolarHBondContact O-N 3.49Å; H295-N297 PolarHBondContact ND1-N 3.12Å; H295-N297 PolarHBondContact ND1-O 2.93Å; H295-K300 HydrophobicContact CB-CB 4.45Å; H295-K300 VanDerWaalsContact CE1-CD 3.45Å; H295-K300 WeakPolarHBondContact CE1-CD 3.29Å; H295-R301 HydrophobicContact CB-CG 3.87Å; H295-R301 PolarHBondContact O-NE 2.94Å; H295-R301 PolarHBondContact O-NH2 3.23Å | ||
| 296 | F | 91.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -62 | -57.9 | -179.8 | -177.2 | -87.9 | 0 | 0 | 0 | 111.4 | P196 L200 M241 P247 D251 V255 L264 R301 | P196-F296 HydrophobicContact CB-CD2 4.04Å; P196-F296 HydrophobicContact CB-CE2 3.81Å; P196-F296 HydrophobicContact CB-CZ 4.33Å; P196-F296 HydrophobicContact CG-CD2 4.07Å; P196-F296 HydrophobicContact CG-CE2 4.32Å; L200-F296 HydrophobicContact CD1-CZ 4.25Å; M241-F296 HydrophobicContact SD-CD2 3.95Å; M241-F296 HydrophobicContact SD-CE2 3.59Å; M241-F296 VanDerWaalsContact SD-CE2 3.59Å; M241-F296 HydrophobicContact SD-CZ 4.45Å; P247-F296 HydrophobicContact CB-CB 4.3Å; P247-F296 HydrophobicContact CB-CD1 3.84Å; P247-F296 HydrophobicContact CB-CD2 4.49Å; P247-F296 HydrophobicContact CB-CE1 4.26Å; P247-F296 HydrophobicContact CB-CG 3.96Å; P247-F296 HydrophobicContact CG-CB 3.91Å; P247-F296 HydrophobicContact CG-CD1 3.89Å; P247-F296 HydrophobicContact CG-CD2 3.64Å; P247-F296 HydrophobicContact CG-CE1 4.31Å; P247-F296 HydrophobicContact CG-CE2 4.08Å; P247-F296 HydrophobicContact CG-CG 3.53Å; P247-F296 HydrophobicContact CG-CZ 4.4Å; D251-F296 HydrophobicContact CB-CD1 4.15Å; V255-F296 HydrophobicContact CG2-CD1 4.35Å; V255-F296 HydrophobicContact CG2-CE1 3.63Å; V255-F296 HydrophobicContact CG2-CZ 4.19Å; L264-F296 HydrophobicContact CD1-CZ 4.48Å; F296-R301 PolarHBondContact O-NH2 3.06Å |
| 297 | N | 91.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -61.6 | 122.8 | 172 | 178.1 | -19.1 | 0 | 0 | 0 | 110.7 | E250 D251 S254 H295 H299 K300 | E250-N297 PolarHBondContact OE1-ND2 3.11Å; D251-N297 HydrophobicContact CB-CB 3.82Å; D251-N297 WeakPolarHBondContact OD1-CB 3.5Å; D251-N297 PolarHBondContact OD1-ND2 2.93Å; S254-N297 PolarHBondContact OG-OD1 3.41Å; H295-N297 PolarHBondContact ND1-N 3.12Å; H295-N297 PolarHBondContact ND1-O 2.93Å; N297-H299 VanDerWaalsContact C-N 3.27Å; N297-H299 PolarHBondContact O-N 3.3Å; N297-H299 WeakPolarHBondContact OD1-CB 3.38Å; N297-H299 PolarHBondContact OD1-N 3.02Å; N297-K300 HydrophobicContact CB-CB 4.5Å; N297-K300 HydrophobicContact CB-CD 4.22Å; N297-K300 HydrophobicContact CB-CG 4.45Å; N297-K300 PolarHBondContact O-N 3.12Å |
| 298 | P | 92.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.4 | -174.4 | 31 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 299 | H | 92.6 | Very high | 96.4 | Very high | 136 Ų | 136 | 41 Ų | 41 | 63% | 0.63 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -18.4 | 176.8 | -61.4 | -90.6 | 0 | 0 | 0 | 113 | N297 | N297-H299 VanDerWaalsContact C-N 3.27Å; N297-H299 PolarHBondContact O-N 3.3Å; N297-H299 WeakPolarHBondContact OD1-CB 3.38Å; N297-H299 PolarHBondContact OD1-N 3.02Å |
| 300 | K | 95.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -94.1 | 8.9 | 177.1 | -67.2 | 176 | -178.7 | 169.1 | 0 | 113.2 | E250 D251 H295 N297 | E250-K300 WeakPolarHBondContact OE1-CE 3.29Å; E250-K300 IonicContact OE1-NZ 3.43Å; E250-K300 PolarHBondContact OE1-NZ 3.35Å; E250-K300 VanDerWaalsContact OE1-NZ 3.09Å; E250-K300 WeakPolarHBondContact OE2-CE 3.49Å; E250-K300 IonicContact OE2-NZ 3.3Å; E250-K300 PolarHBondContact OE2-NZ 3Å; D251-K300 WeakPolarHBondContact OD1-CD 3.44Å; D251-K300 WeakPolarHBondContact OD1-CE 3.46Å; D251-K300 IonicContact OD1-NZ 3.46Å; D251-K300 PolarHBondContact OD1-NZ 3.11Å; D251-K300 IonicContact OD2-NZ 2.67Å; H295-K300 HydrophobicContact CB-CB 4.45Å; H295-K300 VanDerWaalsContact CE1-CD 3.45Å; H295-K300 WeakPolarHBondContact CE1-CD 3.29Å; N297-K300 HydrophobicContact CB-CB 4.5Å; N297-K300 HydrophobicContact CB-CD 4.22Å; N297-K300 HydrophobicContact CB-CG 4.45Å; N297-K300 PolarHBondContact O-N 3.12Å |
| 301 | R | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -88.2 | 138.2 | 175 | -61.4 | 179.3 | -166 | 144.4 | 15.9 | 109.9 | E197 G208 I211 K292 M293 H295 F296 | E197-R301 IonicContact OE1-CZ 2.91Å; E197-R301 IonicContact OE1-NH1 3.76Å; E197-R301 PolarHBondContact OE1-NH1 2.92Å; E197-R301 IonicContact OE1-NH2 3.95Å; E197-R301 IonicContact OE2-CZ 2.65Å; E197-R301 IonicContact OE2-NH1 3.66Å; E197-R301 PolarHBondContact OE2-NH1 3.5Å; E197-R301 IonicContact OE2-NH2 3.94Å; E197-R301 PolarHBondContact OE2-NH2 3.12Å; G208-R301 WeakPolarHBondContact O-CD 3.2Å; G208-R301 PolarHBondContact O-NH1 3.14Å; I211-R301 HydrophobicContact CG2-CB 4.16Å; K292-R301 WeakPolarHBondContact O-CA 3.38Å; M293-R301 WeakPolarHBondContact O-CD 3.32Å; H295-R301 HydrophobicContact CB-CG 3.87Å; H295-R301 PolarHBondContact O-NE 2.94Å; H295-R301 PolarHBondContact O-NH2 3.23Å; F296-R301 PolarHBondContact O-NH2 3.06Å |
| 302 | I | 98.5 | Very high | 96.6 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 139.1 | 175.8 | -168.1 | 167.7 | 0 | 0 | 0 | 111.8 | I211 K292 M293 E306 A307 | I211-I302 WeakPolarHBondContact CG1-O 3.32Å; I211-I302 HydrophobicContact CG2-CG2 4.21Å; I211-I302 VanDerWaalsContact CG2-O 3.27Å; I211-I302 WeakPolarHBondContact CG2-O 3.49Å; K292-I302 HydrophobicContact CB-CB 4.06Å; K292-I302 HydrophobicContact CB-CD1 4.43Å; K292-I302 HydrophobicContact CB-CG2 3.89Å; K292-I302 HydrophobicContact CD-CD1 4.42Å; K292-I302 WeakPolarHBondContact O-CG2 3.46Å; K292-I302 PolarHBondContact O-N 3.35Å; M293-I302 HydrophobicContact CG-CG2 4.03Å; I302-E306 HydrophobicContact CD1-CB 3.94Å; I302-E306 HydrophobicContact CG1-CB 3.55Å; I302-A307 HydrophobicContact CD1-CB 4.12Å; I302-A307 HydrophobicContact CG1-CB 4.24Å; I302-A307 HydrophobicContact CG2-CB 4.15Å |
| 303 | T | 98.4 | Very high | 96.6 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 159.2 | 173.9 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | L305 E306 A307 | T303-L305 PolarHBondContact O-N 3.34Å; T303-E306 VanDerWaalsContact CB-OE2 3.23Å; T303-E306 WeakPolarHBondContact CB-OE2 3.44Å; T303-E306 VanDerWaalsContact CG2-OE2 3.29Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.47Å; T303-E306 PolarHBondContact N-OE2 2.97Å; T303-E306 PolarHBondContact O-N 2.94Å; T303-E306 VanDerWaalsContact OG1-CD 3.25Å; T303-E306 VanDerWaalsContact OG1-CG 3.32Å; T303-E306 WeakPolarHBondContact OG1-CG 3.35Å; T303-E306 PolarHBondContact OG1-N 3.21Å; T303-E306 PolarHBondContact OG1-OE2 3.34Å; T303-A307 VanDerWaalsContact O-CB 3.32Å; T303-A307 WeakPolarHBondContact O-CB 3.49Å; T303-A307 PolarHBondContact O-N 3.41Å |
| 304 | A | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 T125 A126 I211 L308 | L122-A304 HydrophobicContact CD2-CB 4.4Å; T125-A304 HydrophobicContact CG2-CB 4.04Å; A126-A304 HydrophobicContact CB-CB 3.88Å; I211-A304 HydrophobicContact CD1-CB 3.97Å; A304-L308 WeakPolarHBondContact O-CG 3.44Å; A304-L308 PolarHBondContact O-N 3.44Å |
| 305 | L | 96.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.1 | -32.6 | -179 | -174.5 | 61.3 | 0 | 0 | 0 | 113.2 | T303 L308 I322 | T303-L305 PolarHBondContact O-N 3.34Å; L305-L308 HydrophobicContact CD1-CD1 4.38Å; L305-I322 HydrophobicContact CD1-CG2 4.3Å |
| 306 | E | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.2 | -41.8 | 170.9 | -66.8 | 159.9 | 131.5 | 0 | 0 | 110.9 | I302 T303 L308 K309 H310 | I302-E306 HydrophobicContact CD1-CB 3.94Å; I302-E306 HydrophobicContact CG1-CB 3.55Å; T303-E306 VanDerWaalsContact CB-OE2 3.23Å; T303-E306 WeakPolarHBondContact CB-OE2 3.44Å; T303-E306 VanDerWaalsContact CG2-OE2 3.29Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.47Å; T303-E306 PolarHBondContact N-OE2 2.97Å; T303-E306 PolarHBondContact O-N 2.94Å; T303-E306 VanDerWaalsContact OG1-CD 3.25Å; T303-E306 VanDerWaalsContact OG1-CG 3.32Å; T303-E306 WeakPolarHBondContact OG1-CG 3.35Å; T303-E306 PolarHBondContact OG1-N 3.21Å; T303-E306 PolarHBondContact OG1-OE2 3.34Å; E306-L308 VanDerWaalsContact C-N 3.25Å; E306-L308 PolarHBondContact O-N 2.97Å; E306-K309 WeakPolarHBondContact O-CB 3.25Å; E306-K309 PolarHBondContact O-N 3.11Å; E306-H310 PolarHBondContact O-N 2.89Å |
| 307 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L122 L289 M293 I302 T303 K309 H310 V313 | L122-A307 HydrophobicContact CD1-CB 3.95Å; L122-A307 HydrophobicContact CD2-CB 3.59Å; L122-A307 HydrophobicContact CG-CB 4.42Å; L289-A307 HydrophobicContact CD1-CB 4.14Å; M293-A307 HydrophobicContact CE-CB 4.23Å; I302-A307 HydrophobicContact CD1-CB 4.12Å; I302-A307 HydrophobicContact CG1-CB 4.24Å; I302-A307 HydrophobicContact CG2-CB 4.15Å; T303-A307 VanDerWaalsContact O-CB 3.32Å; T303-A307 WeakPolarHBondContact O-CB 3.49Å; T303-A307 PolarHBondContact O-N 3.41Å; A307-K309 PolarHBondContact O-N 3.09Å; A307-H310 WeakPolarHBondContact O-CB 3.23Å; A307-H310 PolarHBondContact O-N 2.99Å; A307-H310 VanDerWaalsContact O-N 3.14Å; A307-V313 WeakPolarHBondContact O-CG2 3.5Å |
| 308 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.6 | 170.4 | -81.1 | 171.9 | 0 | 0 | 0 | 113.3 | Y119 L122 K123 A126 A304 L305 E306 Y317 I322 | Y119-L308 HydrophobicContact CD2-CD2 3.6Å; Y119-L308 HydrophobicContact CE2-CD2 3.65Å; L122-L308 HydrophobicContact CB-CD2 3.56Å; L122-L308 HydrophobicContact CB-CG 3.85Å; K123-L308 HydrophobicContact CG-CD2 3.87Å; A126-L308 HydrophobicContact CB-CD1 3.99Å; A304-L308 WeakPolarHBondContact O-CG 3.44Å; A304-L308 PolarHBondContact O-N 3.44Å; L305-L308 HydrophobicContact CD1-CD1 4.38Å; E306-L308 VanDerWaalsContact C-N 3.25Å; E306-L308 PolarHBondContact O-N 2.97Å; L308-Y317 HydrophobicContact CB-CD2 3.95Å; L308-Y317 HydrophobicContact CB-CE2 4.04Å; L308-Y317 WeakPolarHBondContact O-CD2 3.35Å; L308-I322 HydrophobicContact CD1-CD1 3.89Å; L308-I322 HydrophobicContact CD1-CG1 4.22Å; L308-I322 HydrophobicContact CD1-CG2 4.35Å |
| 309 | K | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.5 | 179.6 | -57.9 | 171 | -174.7 | 178.9 | 0 | 112.9 | E306 A307 Y317 | E306-K309 WeakPolarHBondContact O-CB 3.25Å; E306-K309 PolarHBondContact O-N 3.11Å; A307-K309 PolarHBondContact O-N 3.09Å; K309-Y317 WeakPolarHBondContact CE-OH 3.49Å; K309-Y317 HydrophobicContact CG-CD2 4.23Å; K309-Y317 HydrophobicContact CG-CE1 4.35Å; K309-Y317 HydrophobicContact CG-CE2 3.6Å |
| 310 | H | 98.5 | Very high | 97 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -69.9 | 138.4 | -170.1 | -168.6 | -82.3 | 0 | 0 | 0 | 112.4 | T285 D288 L289 E306 A307 Y312 V313 R314 | T285-H310 PolarHBondContact O-CE1 3.01Å; T285-H310 VanDerWaalsContact O-CE1 3.29Å; D288-H310 IonicContact OD2-CD2 2.68Å; D288-H310 IonicContact OD2-CE1 3Å; D288-H310 PolarHBondContact OD2-CE1 2.94Å; D288-H310 IonicContact OD2-NE2 2.64Å; D288-H310 PolarHBondContact OD2-NE2 3.48Å; L289-H310 HydrophobicContact CD1-CB 4.03Å; E306-H310 PolarHBondContact O-N 2.89Å; A307-H310 WeakPolarHBondContact O-CB 3.23Å; A307-H310 PolarHBondContact O-N 2.99Å; A307-H310 VanDerWaalsContact O-N 3.14Å; H310-Y312 PolarHBondContact ND1-N 3.49Å; H310-Y312 PolarHBondContact O-N 3.11Å; H310-V313 PolarHBondContact O-N 3.37Å; H310-R314 WeakPolarHBondContact O-CB 3.42Å; H310-R314 PolarHBondContact O-N 2.92Å |
| 311 | P | 98.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -36.4 | -174.5 | -33.6 | 36.5 | 0 | 0 | 0 | 116.4 | T285 V313 | T285-P311 HydrophobicContact CG2-CB 4.33Å; P311-V313 VanDerWaalsContact C-N 3.32Å; P311-V313 PolarHBondContact O-N 3.19Å |
| 312 | Y | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -38 | 179 | -177.7 | -113 | 0 | 0 | 0 | 113.5 | Q115 M118 L218 T285 A286 L289 H310 | Q115-Y312 HydrophobicContact CB-CE1 4.39Å; Q115-Y312 VanDerWaalsContact CD-O 3.31Å; Q115-Y312 HydrophobicContact CG-CD1 4.07Å; Q115-Y312 HydrophobicContact CG-CD2 3.84Å; Q115-Y312 HydrophobicContact CG-CE1 3.64Å; Q115-Y312 HydrophobicContact CG-CE2 3.38Å; Q115-Y312 HydrophobicContact CG-CG 4.16Å; Q115-Y312 WeakPolarHBondContact CG-O 3.3Å; Q115-Y312 VanDerWaalsContact NE2-CE2 3.29Å; Q115-Y312 PolarHBondContact NE2-O 3.4Å; M118-Y312 HydrophobicContact CB-CE1 4.37Å; M118-Y312 HydrophobicContact CG-CE1 4.38Å; L218-Y312 HydrophobicContact CD1-CE1 3.65Å; L218-Y312 HydrophobicContact CD2-CE1 4.36Å; T285-Y312 WeakPolarHBondContact OG1-CA 3.48Å; T285-Y312 WeakPolarHBondContact OG1-CB 3.18Å; A286-Y312 HydrophobicContact CB-CD2 3.56Å; A286-Y312 HydrophobicContact CB-CE1 4.49Å; A286-Y312 HydrophobicContact CB-CE2 3.35Å; A286-Y312 HydrophobicContact CB-CG 4.22Å; L289-Y312 HydrophobicContact CD2-CD1 3.83Å; L289-Y312 HydrophobicContact CD2-CG 4.46Å; H310-Y312 PolarHBondContact ND1-N 3.49Å; H310-Y312 PolarHBondContact O-N 3.11Å |
| 313 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -13.6 | -179.5 | -63.9 | 0 | 0 | 0 | 0 | 114 | M118 L122 A307 H310 P311 R315 F316 | M118-V313 HydrophobicContact CB-CG1 4.04Å; M118-V313 HydrophobicContact CG-CG1 4.05Å; L122-V313 HydrophobicContact CD1-CG1 4.45Å; L122-V313 HydrophobicContact CD1-CG2 4.19Å; A307-V313 WeakPolarHBondContact O-CG2 3.5Å; H310-V313 PolarHBondContact O-N 3.37Å; P311-V313 VanDerWaalsContact C-N 3.32Å; P311-V313 PolarHBondContact O-N 3.19Å; V313-R315 PolarHBondContact O-N 3.35Å; V313-F316 PolarHBondContact O-N 2.99Å |
| 314 | R | 96.4 | Very high | 96.3 | Very high | 172 Ų | 172 | 66.6 Ų | 66.6 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -50.8 | -28.1 | -173.1 | -177.4 | 173.9 | 173.3 | 178.5 | -1.6 | 114.4 | H310 F316 Y317 | H310-R314 WeakPolarHBondContact O-CB 3.42Å; H310-R314 PolarHBondContact O-N 2.92Å; R314-F316 PolarHBondContact O-N 2.94Å; R314-F316 VanDerWaalsContact O-N 3.11Å; R314-Y317 WeakPolarHBondContact O-CB 3.46Å; R314-Y317 PolarHBondContact O-N 2.82Å |
| 315 | R | 96.7 | Very high | 96 | Very high | 160 Ų | 160 | 67 Ų | 67 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -57.2 | -21.8 | 175 | 75.5 | 178.8 | 72 | -151.8 | 1.3 | 114.6 | V313 | V313-R315 PolarHBondContact O-N 3.35Š|
| 316 | F | 96.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 70.8 Ų | 70.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -105.3 | -6.3 | 178.8 | -57.5 | -66.1 | 0 | 0 | 0 | 113.1 | I112 Q115 Y116 Y119 V313 R314 S318 | I112-F316 HydrophobicContact CD1-CE1 4.35Å; I112-F316 HydrophobicContact CD1-CE2 4.33Å; I112-F316 HydrophobicContact CD1-CZ 3.57Å; I112-F316 HydrophobicContact CG1-CZ 4.11Å; Q115-F316 HydrophobicContact CB-CE2 3.79Å; Y116-F316 AromaticContact CD2-CD1 3.76Å; Y116-F316 HydrophobicContact CD2-CD1 3.76Å; Y116-F316 HydrophobicContact CD2-CD2 4.27Å; Y116-F316 AromaticContact CD2-CE1 3.71Å; Y116-F316 HydrophobicContact CD2-CE1 3.71Å; Y116-F316 HydrophobicContact CD2-CE2 4.22Å; Y116-F316 HydrophobicContact CD2-CG 4.04Å; Y116-F316 AromaticContact CD2-CZ 3.93Å; Y116-F316 HydrophobicContact CD2-CZ 3.93Å; Y116-F316 HydrophobicContact CE2-CD1 4.31Å; Y116-F316 HydrophobicContact CE2-CE1 4.47Å; Y116-F316 HydrophobicContact CG-CE1 4.33Å; Y116-F316 HydrophobicContact CG-CZ 4.2Å; Y119-F316 HydrophobicContact CD1-CB 3.45Å; Y119-F316 VanDerWaalsContact CD1-CB 3.45Å; Y119-F316 HydrophobicContact CD1-CG 4.18Å; Y119-F316 HydrophobicContact CD2-CB 4Å; Y119-F316 HydrophobicContact CE1-CB 3.65Å; Y119-F316 WeakPolarHBondContact CE1-O 3.45Å; Y119-F316 HydrophobicContact CE2-CB 4.21Å; Y119-F316 HydrophobicContact CG-CB 3.64Å; Y119-F316 HydrophobicContact CG-CD2 4.43Å; Y119-F316 HydrophobicContact CG-CG 4.38Å; Y119-F316 PolarHBondContact OH-O 3.36Å; V313-F316 PolarHBondContact O-N 2.99Å; R314-F316 PolarHBondContact O-N 2.94Å; R314-F316 VanDerWaalsContact O-N 3.11Å; F316-S318 PolarHBondContact O-N 3.09Å; F316-S318 VanDerWaalsContact O-N 3.12Å |
| 317 | Y | 96.5 | Very high | 95.3 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | trans | -68.7 | 108.7 | -170.7 | 177.1 | -98.1 | 0 | 0 | 0 | 111.8 | L308 K309 R314 P319 I322 | L308-Y317 HydrophobicContact CB-CD2 3.95Å; L308-Y317 HydrophobicContact CB-CE2 4.04Å; L308-Y317 WeakPolarHBondContact O-CD2 3.35Å; K309-Y317 WeakPolarHBondContact CE-OH 3.49Å; K309-Y317 HydrophobicContact CG-CD2 4.23Å; K309-Y317 HydrophobicContact CG-CE1 4.35Å; K309-Y317 HydrophobicContact CG-CE2 3.6Å; R314-Y317 WeakPolarHBondContact O-CB 3.46Å; R314-Y317 PolarHBondContact O-N 2.82Å; Y317-P319 HydrophobicContact CD1-CG 4.34Å; Y317-P319 HydrophobicContact CE1-CG 3.64Å; Y317-I322 HydrophobicContact CD2-CD1 3.97Å; Y317-I322 HydrophobicContact CE2-CD1 3.4Å | ||
| 318 | S | 94.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 74.3 Ų | 74.3 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | trans | -119.8 | 107.5 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | Y119 F316 N320 E321 | Y119-S318 PolarHBondContact OH-N 3.01Å; F316-S318 PolarHBondContact O-N 3.09Å; F316-S318 VanDerWaalsContact O-N 3.12Å; S318-N320 PolarHBondContact O-N 2.95Å; S318-E321 PolarHBondContact O-N 3.06Å; S318-E321 VanDerWaalsContact O-N 3.12Å | ||
| 319 | P | 92.7 | Very high | 94.5 | Very high | 73 Ų | 73 | 74.3 Ų | 74.3 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -51.6 | -42.4 | -179.8 | -28.3 | 34.4 | 0 | 0 | 0 | 113.2 | Y317 E321 I322 | Y317-P319 HydrophobicContact CD1-CG 4.34Å; Y317-P319 HydrophobicContact CE1-CG 3.64Å; P319-E321 PolarHBondContact O-N 3.27Å; P319-E321 VanDerWaalsContact O-N 3.14Å; P319-I322 PolarHBondContact O-N 2.95Å |
| 320 | N | 93.3 | Very high | 94 | Very high | 163 Ų | 163 | 73 Ų | 73 | 87% | 0.872 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.2 | -174.4 | -59 | -1 | 0 | 0 | 0 | 113.1 | S318 | S318-N320 PolarHBondContact O-N 2.95Š|
| 321 | E | 92.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 73.1 Ų | 73.1 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -99.5 | -0.8 | 173.5 | -53.6 | 178.3 | -175.5 | 0 | 0 | 114.2 | Y119 K123 S318 P319 M323 | Y119-E321 PolarHBondContact OH-OE2 2.96Å; K123-E321 WeakPolarHBondContact CE-O 3.32Å; K123-E321 PolarHBondContact NZ-O 2.61Å; K123-E321 VanDerWaalsContact NZ-O 3.09Å; K123-E321 IonicContact NZ-OE2 2.73Å; K123-E321 PolarHBondContact NZ-OE2 2.67Å; S318-E321 PolarHBondContact O-N 3.06Å; S318-E321 VanDerWaalsContact O-N 3.12Å; P319-E321 PolarHBondContact O-N 3.27Å; P319-E321 VanDerWaalsContact O-N 3.14Å; E321-M323 PolarHBondContact O-N 2.87Å |
| 322 | I | 93.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | trans | -85.7 | 101.7 | -178 | -64.5 | 171 | 0 | 0 | 0 | 108.5 | L305 L308 Y317 P319 I324 | L305-I322 HydrophobicContact CD1-CG2 4.3Å; L308-I322 HydrophobicContact CD1-CD1 3.89Å; L308-I322 HydrophobicContact CD1-CG1 4.22Å; L308-I322 HydrophobicContact CD1-CG2 4.35Å; Y317-I322 HydrophobicContact CD2-CD1 3.97Å; Y317-I322 HydrophobicContact CE2-CD1 3.4Å; P319-I322 PolarHBondContact O-N 2.95Å; I322-I324 HydrophobicContact CG2-CD1 4.01Å; I322-I324 HydrophobicContact CG2-CG1 4.24Å | ||
| 323 | M | 95.2 | Very high | 92 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | trans | -75.1 | 134.8 | 173.3 | -63.3 | -178.1 | 72 | 0 | 0 | 110.3 | P71 Y127 E321 | P71-M323 VanDerWaalsContact CD-SD 3.54Å; Y127-M323 HydrophobicContact CD2-CB 3.83Å; Y127-M323 WeakPolarHBondContact CD2-O 3.36Å; Y127-M323 HydrophobicContact CE2-CB 4.18Å; Y127-M323 HydrophobicContact CG-CB 4.5Å; E321-M323 PolarHBondContact O-N 2.87Å | ||
| 324 | I | 94.2 | Very high | 91.2 | Very high | 93 Ų | 93 | 77.7 Ų | 77.7 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | trans | -127.8 | 140.1 | 177.1 | -64.1 | -61.1 | 0 | 0 | 0 | 107.5 | I322 | I322-I324 HydrophobicContact CG2-CD1 4.01Å; I322-I324 HydrophobicContact CG2-CG1 4.24Å | ||
| 325 | M | 92.7 | Very high | 90.2 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 5% | 0.054 | 36% | 0.36 | C | S | . | . | trans | -80.9 | 130.9 | 172.2 | -60.4 | -174.3 | -166.5 | 0 | 0 | 109.7 | F67 Y127 S130 G131 H327 V329 | F67-M325 HydrophobicContact CD1-CE 3.58Å; F67-M325 HydrophobicContact CE1-CE 4.11Å; F67-M325 HydrophobicContact CG-CE 4.47Å; Y127-M325 HydrophobicContact CD1-CE 3.56Å; Y127-M325 HydrophobicContact CD2-CE 4.22Å; Y127-M325 HydrophobicContact CD2-CG 3.74Å; Y127-M325 HydrophobicContact CE1-CE 3.26Å; Y127-M325 HydrophobicContact CE1-CG 4.39Å; Y127-M325 HydrophobicContact CE2-CB 4.43Å; Y127-M325 HydrophobicContact CE2-CE 3.99Å; Y127-M325 HydrophobicContact CE2-CG 3.32Å; Y127-M325 HydrophobicContact CE2-SD 4.48Å; Y127-M325 HydrophobicContact CG-CE 4.03Å; Y127-M325 HydrophobicContact CG-CG 4.43Å; Y127-M325 VanDerWaalsContact CZ-CE 3.49Å; S130-M325 PolarHBondContact OG-N 3.32Å; G131-M325 WeakPolarHBondContact CA-SD 3.35Å; M325-H327 VanDerWaalsContact C-N 3.26Å; M325-H327 PolarHBondContact O-N 3.03Å; M325-V329 HydrophobicContact CE-CG2 4.43Å; M325-V329 HydrophobicContact SD-CG2 3.54Å; M325-V329 VanDerWaalsContact SD-CG2 3.54Å | ||
| 326 | N | 89.3 | Confident | 89.1 | Confident | 154 Ų | 154 | 63.7 Ų | 63.7 | 82% | 0.824 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -85.8 | 8.1 | 174.1 | 65.3 | -18.2 | 0 | 0 | 0 | 113.5 | ||
| 327 | H | 89.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -150.8 | 153.9 | -176 | 63.3 | -85 | 0 | 0 | 0 | 110.5 | M325 | M325-H327 VanDerWaalsContact C-N 3.26Å; M325-H327 PolarHBondContact O-N 3.03Å |
| 328 | H | 90.4 | Very high | 87.6 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | trans | -80.5 | 131.2 | 173.6 | -45.2 | -78.8 | 0 | 0 | 0 | 110.7 | G131 E132 K163 | G131-H328 WeakPolarHBondContact O-CA 3.45Å; E132-H328 WeakPolarHBondContact CG-ND1 3.32Å; K163-H328 HydrophobicContact CD-CB 4.1Å; K163-H328 PolarHBondContact NZ-CD2 3.43Å; K163-H328 PolarHBondContact NZ-NE2 2.89Å | ||
| 329 | V | 90.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | trans | -86.9 | 118.8 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | F63 N66 F67 G131 V133 S161 M325 | F63-V329 HydrophobicContact CD1-CG1 3.73Å; F63-V329 HydrophobicContact CE1-CG1 3.88Å; N66-V329 HydrophobicContact CB-CG1 3.56Å; N66-V329 HydrophobicContact CB-CG2 4.16Å; F67-V329 HydrophobicContact CE1-CG1 4.34Å; G131-V329 PolarHBondContact O-N 2.57Å; V133-V329 HydrophobicContact CG2-CB 3.73Å; V133-V329 HydrophobicContact CG2-CG1 4.28Å; S161-V329 VanDerWaalsContact CB-O 3.27Å; S161-V329 WeakPolarHBondContact CB-O 3.25Å; S161-V329 PolarHBondContact OG-O 3.43Å; M325-V329 HydrophobicContact CE-CG2 4.43Å; M325-V329 HydrophobicContact SD-CG2 3.54Å; M325-V329 VanDerWaalsContact SD-CG2 3.54Å | ||
| 330 | T | 86.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | trans | -125.3 | 128 | 176 | -50.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 331 | P | 84.2 | Confident | 87.1 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -59.8 | 148.6 | 173.8 | -24.2 | 35 | 0 | 0 | 0 | 111.9 | A62 F63 L333 | A62-P331 HydrophobicContact CB-CB 4.41Å; F63-P331 HydrophobicContact CD2-CG 4.37Å; F63-P331 HydrophobicContact CE1-CG 4.04Å; F63-P331 HydrophobicContact CE2-CG 3.7Å; F63-P331 HydrophobicContact CZ-CG 3.5Å; F63-P331 VanDerWaalsContact CZ-CG 3.5Å; P331-L333 PolarHBondContact O-N 3.14Å; P331-L333 VanDerWaalsContact O-N 3.14Å | ||
| 332 | P | 85.5 | Confident | 87 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -74.4 | -0.1 | -176.9 | 31.6 | -37.3 | 0 | 0 | 0 | 114.3 | F58 M351 | F58-P332 HydrophobicContact CE1-CG 4.19Å; F58-P332 HydrophobicContact CZ-CG 3.99Å; P332-M351 HydrophobicContact CG-CE 4.39Å; P332-M351 HydrophobicContact CG-SD 4.19Å |
| 333 | L | 83.7 | Confident | 86.9 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -128.2 | 140.3 | 170.8 | -59.6 | 176.8 | 0 | 0 | 0 | 107.6 | F58 P331 D335 L339 Y344 R347 | F58-L333 HydrophobicContact CD1-CD1 4.09Å; F58-L333 HydrophobicContact CD2-CD1 4.18Å; F58-L333 HydrophobicContact CE1-CB 4Å; F58-L333 HydrophobicContact CE1-CD1 3.56Å; F58-L333 HydrophobicContact CE1-CG 3.76Å; F58-L333 HydrophobicContact CE2-CD1 3.66Å; F58-L333 HydrophobicContact CE2-CG 4.44Å; F58-L333 HydrophobicContact CG-CD1 4.39Å; F58-L333 HydrophobicContact CZ-CB 4.4Å; F58-L333 HydrophobicContact CZ-CD1 3.32Å; F58-L333 HydrophobicContact CZ-CG 3.65Å; P331-L333 PolarHBondContact O-N 3.14Å; P331-L333 VanDerWaalsContact O-N 3.14Å; L333-D335 PolarHBondContact O-N 2.72Å; L333-L339 HydrophobicContact CB-CD1 4.31Å; L333-L339 HydrophobicContact CD1-CD1 3.89Å; L333-L339 HydrophobicContact CD2-CD1 4.22Å; L333-L339 HydrophobicContact CG-CD1 4.37Å; L333-Y344 HydrophobicContact CD1-CD1 4.01Å; L333-Y344 HydrophobicContact CD1-CE1 4.18Å; L333-R347 HydrophobicContact CD1-CB 4.05Å; L333-R347 HydrophobicContact CD1-CG 4.08Å; L333-R347 HydrophobicContact CD2-CG 4.24Å |
| 334 | D | 81 | Confident | 86.8 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | trans | -65 | 118.7 | -176.3 | -166.5 | -28 | 0 | 0 | 0 | 111.6 | Y168 N336 I337 | Y168-D334 WeakPolarHBondContact CE2-OD2 3.3Å; Y168-D334 VanDerWaalsContact CZ-OD2 3.31Å; Y168-D334 PolarHBondContact OH-OD2 2.8Å; D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.17Å; D334-N336 VanDerWaalsContact OD1-CB 3.32Å; D334-N336 WeakPolarHBondContact OD1-CB 3.45Å; D334-N336 PolarHBondContact OD1-N 2.84Å; D334-N336 PolarHBondContact OD1-ND2 3.34Å; D334-I337 HydrophobicContact CB-CB 4.34Å; D334-I337 HydrophobicContact CB-CD1 4Å; D334-I337 HydrophobicContact CB-CG1 3.99Å; D334-I337 PolarHBondContact O-N 3.17Å | ||
| 335 | D | 76.7 | Confident | 86.7 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.9 | -177.8 | -132.1 | -12.9 | 0 | 0 | 0 | 113.6 | R59 R160 L333 | R59-D335 WeakPolarHBondContact CD-OD1 3.38Å; R59-D335 WeakPolarHBondContact CD-OD2 3.29Å; R59-D335 IonicContact CZ-OD1 2.96Å; R59-D335 IonicContact NE-OD1 2.68Å; R59-D335 IonicContact NH1-OD1 3.14Å; R59-D335 PolarHBondContact NH1-OD1 3.35Å; R160-D335 VanDerWaalsContact CD-OD2 3.24Å; R160-D335 WeakPolarHBondContact CD-OD2 3.44Å; R160-D335 IonicContact CZ-OD1 2.74Å; R160-D335 IonicContact CZ-OD2 2.71Å; R160-D335 IonicContact NE-OD1 2.77Å; R160-D335 IonicContact NE-OD2 3.06Å; R160-D335 IonicContact NH1-OD1 2.73Å; R160-D335 PolarHBondContact NH1-OD1 2.98Å; R160-D335 IonicContact NH1-OD2 3.61Å; R160-D335 PolarHBondContact NH1-OD2 2.84Å; R160-D335 PolarHBondContact NH2-O 2.67Å; R160-D335 IonicContact NH2-OD1 3.81Å; R160-D335 PolarHBondContact NH2-OD1 3.48Å; R160-D335 VanDerWaalsContact NH2-OD1 3.12Å; L333-D335 PolarHBondContact O-N 2.72Å |
| 336 | N | 73.5 | Confident | 86.6 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 0.1 | 174.5 | -45.9 | -79.4 | 0 | 0 | 0 | 112.6 | R165 Y168 T179 D334 | R165-N336 PolarHBondContact NH1-OD1 3.1Å; R165-N336 VanDerWaalsContact NH1-OD1 3.1Å; Y168-N336 HydrophobicContact CD2-CB 4.13Å; Y168-N336 HydrophobicContact CE2-CB 4.01Å; T179-N336 WeakPolarHBondContact CB-O 3.19Å; T179-N336 WeakPolarHBondContact CG2-O 3.4Å; D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.17Å; D334-N336 VanDerWaalsContact OD1-CB 3.32Å; D334-N336 WeakPolarHBondContact OD1-CB 3.45Å; D334-N336 PolarHBondContact OD1-N 2.84Å; D334-N336 PolarHBondContact OD1-ND2 3.34Å |
| 337 | I | 79.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -110.3 | 132.7 | 171.1 | -57.9 | 179.9 | 0 | 0 | 0 | 108.8 | Q55 D334 L339 Y344 | Q55-I337 PolarHBondContact NE2-O 3.11Å; Q55-I337 VanDerWaalsContact NE2-O 3.15Å; D334-I337 HydrophobicContact CB-CB 4.34Å; D334-I337 HydrophobicContact CB-CD1 4Å; D334-I337 HydrophobicContact CB-CG1 3.99Å; D334-I337 PolarHBondContact O-N 3.17Å; I337-L339 HydrophobicContact CG2-CD2 3.69Å; I337-L339 HydrophobicContact CG2-CG 4.29Å; I337-Y344 PolarHBondContact O-OH 2.97Å |
| 338 | Q | 82.6 | Confident | 86.8 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | trans | -98.6 | 94.5 | 172.9 | -178.4 | 161.7 | 59.3 | 0 | 0 | 109.9 | Q51 T52 T179 | Q51-Q338 HydrophobicContact CB-CG 3.67Å; Q51-Q338 HydrophobicContact CG-CG 4.42Å; T52-Q338 PolarHBondContact OG1-NE2 3.45Å; T52-Q338 VanDerWaalsContact OG1-NE2 3.13Å; T179-Q338 HydrophobicContact CG2-CB 3.94Å | ||
| 339 | L | 86.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | -72.1 | 171.3 | 178.1 | -55.7 | 173.5 | 0 | 0 | 0 | 111.6 | Q51 L333 I337 E343 Y344 | Q51-L339 WeakPolarHBondContact CG-O 3.38Å; Q51-L339 PolarHBondContact NE2-O 2.76Å; L333-L339 HydrophobicContact CB-CD1 4.31Å; L333-L339 HydrophobicContact CD1-CD1 3.89Å; L333-L339 HydrophobicContact CD2-CD1 4.22Å; L333-L339 HydrophobicContact CG-CD1 4.37Å; I337-L339 HydrophobicContact CG2-CD2 3.69Å; I337-L339 HydrophobicContact CG2-CG 4.29Å; L339-E343 HydrophobicContact CB-CB 4.05Å; L339-E343 HydrophobicContact CD1-CB 4.39Å; L339-Y344 HydrophobicContact CB-CD2 4.28Å; L339-Y344 HydrophobicContact CB-CE1 4.15Å; L339-Y344 HydrophobicContact CB-CE2 3.74Å; L339-Y344 HydrophobicContact CD1-CD1 4.48Å; L339-Y344 HydrophobicContact CD1-CE1 3.95Å; L339-Y344 HydrophobicContact CG-CE1 4.27Å; L339-Y344 PolarHBondContact N-OH 3.5Å; L339-Y344 WeakPolarHBondContact O-CE2 3.32Å | ||
| 340 | T | 91.4 | Very high | 86.8 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | trans | -66.5 | 163.5 | 172.3 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | S342 E343 Y344 | T340-S342 VanDerWaalsContact C-N 3.3Å; T340-S342 PolarHBondContact O-N 2.98Å; T340-E343 WeakPolarHBondContact CA-OE2 3.46Å; T340-E343 WeakPolarHBondContact CB-OE2 3.03Å; T340-E343 VanDerWaalsContact CG2-OE2 3.26Å; T340-E343 WeakPolarHBondContact CG2-OE2 3.45Å; T340-E343 PolarHBondContact N-OE2 2.88Å; T340-E343 PolarHBondContact O-N 3.18Å; T340-E343 WeakPolarHBondContact OG1-CG 3.3Å; T340-E343 PolarHBondContact OG1-N 3.11Å; T340-E343 PolarHBondContact OG1-OE2 3.23Å; T340-Y344 VanDerWaalsContact O-CD2 3.25Å; T340-Y344 WeakPolarHBondContact O-CD2 3.41Å; T340-Y344 PolarHBondContact O-N 2.98Å | ||
| 341 | V | 90.2 | Very high | 86.9 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 174.2 | 166.7 | 0 | 0 | 0 | 0 | 112 | F48 Q51 R345 | F48-V341 HydrophobicContact CB-CG1 3.74Å; F48-V341 WeakPolarHBondContact O-CG1 3.47Å; Q51-V341 HydrophobicContact CG-CG2 4.09Å; V341-R345 PolarHBondContact O-N 3.11Å; V341-R345 VanDerWaalsContact O-N 3.14Å |
| 342 | S | 90.9 | Very high | 87 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.5 | -47.3 | -178.8 | -150.9 | 0 | 0 | 0 | 0 | 110.5 | T340 Y344 R345 D346 | T340-S342 VanDerWaalsContact C-N 3.3Å; T340-S342 PolarHBondContact O-N 2.98Å; S342-Y344 VanDerWaalsContact C-N 3.32Å; S342-Y344 PolarHBondContact O-N 2.88Å; S342-R345 CarbonylContact O-C 3.48Å; S342-R345 WeakPolarHBondContact O-CA 3.38Å; S342-R345 WeakPolarHBondContact O-CB 3.31Å; S342-R345 PolarHBondContact O-N 3.36Å; S342-R345 PolarHBondContact OG-NH2 3.34Å; S342-D346 WeakPolarHBondContact CB-OD2 3.2Å; S342-D346 WeakPolarHBondContact O-CB 3.32Å; S342-D346 PolarHBondContact O-N 3.28Å; S342-D346 PolarHBondContact OG-OD2 2.94Å |
| 343 | E | 92.1 | Very high | 87 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.8 | -45 | 178.9 | -70.8 | 162.8 | 102 | 0 | 0 | 112.5 | L339 T340 R347 | L339-E343 HydrophobicContact CB-CB 4.05Å; L339-E343 HydrophobicContact CD1-CB 4.39Å; T340-E343 WeakPolarHBondContact CA-OE2 3.46Å; T340-E343 WeakPolarHBondContact CB-OE2 3.03Å; T340-E343 VanDerWaalsContact CG2-OE2 3.26Å; T340-E343 WeakPolarHBondContact CG2-OE2 3.45Å; T340-E343 PolarHBondContact N-OE2 2.88Å; T340-E343 PolarHBondContact O-N 3.18Å; T340-E343 WeakPolarHBondContact OG1-CG 3.3Å; T340-E343 PolarHBondContact OG1-N 3.11Å; T340-E343 PolarHBondContact OG1-OE2 3.23Å; E343-R347 WeakPolarHBondContact O-CB 3.44Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 2.85Å |
| 344 | Y | 92.7 | Very high | 86.8 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 174.9 | -71.1 | -55.6 | 0 | 0 | 0 | 113.1 | A54 Q55 F58 L333 I337 L339 T340 S342 L348 | A54-Y344 HydrophobicContact CB-CD2 3.9Å; A54-Y344 HydrophobicContact CB-CG 4.24Å; Q55-Y344 HydrophobicContact CB-CD2 4.36Å; Q55-Y344 HydrophobicContact CB-CE1 4.09Å; Q55-Y344 HydrophobicContact CB-CE2 3.74Å; Q55-Y344 HydrophobicContact CG-CE1 3.9Å; Q55-Y344 HydrophobicContact CG-CE2 4.26Å; Q55-Y344 WeakPolarHBondContact CG-OH 3.12Å; Q55-Y344 PolarHBondContact NE2-OH 3.31Å; F58-Y344 HydrophobicContact CB-CD1 4Å; F58-Y344 HydrophobicContact CD1-CD1 4.45Å; F58-Y344 HydrophobicContact CD2-CD1 4.38Å; F58-Y344 HydrophobicContact CG-CD1 4.02Å; L333-Y344 HydrophobicContact CD1-CD1 4.01Å; L333-Y344 HydrophobicContact CD1-CE1 4.18Å; I337-Y344 PolarHBondContact O-OH 2.97Å; L339-Y344 HydrophobicContact CB-CD2 4.28Å; L339-Y344 HydrophobicContact CB-CE1 4.15Å; L339-Y344 HydrophobicContact CB-CE2 3.74Å; L339-Y344 HydrophobicContact CD1-CD1 4.48Å; L339-Y344 HydrophobicContact CD1-CE1 3.95Å; L339-Y344 HydrophobicContact CG-CE1 4.27Å; L339-Y344 PolarHBondContact N-OH 3.5Å; L339-Y344 WeakPolarHBondContact O-CE2 3.32Å; T340-Y344 VanDerWaalsContact O-CD2 3.25Å; T340-Y344 WeakPolarHBondContact O-CD2 3.41Å; T340-Y344 PolarHBondContact O-N 2.98Å; S342-Y344 VanDerWaalsContact C-N 3.32Å; S342-Y344 PolarHBondContact O-N 2.88Å; Y344-L348 WeakPolarHBondContact O-CB 3.47Å; Y344-L348 PolarHBondContact O-N 2.91Å; Y344-L348 VanDerWaalsContact O-N 3.11Å |
| 345 | R | 91.4 | Very high | 86.4 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -50.9 | 176.9 | -179.1 | -172.4 | 63.3 | -175.5 | -14.6 | 111.5 | F48 D85 V341 S342 L348 Y349 | F48-R345 HydrophobicContact CD1-CB 3.62Å; F48-R345 HydrophobicContact CD1-CG 4.14Å; F48-R345 HydrophobicContact CD2-CG 4.16Å; F48-R345 VanDerWaalsContact CE1-CA 3.47Å; F48-R345 HydrophobicContact CE1-CB 3.65Å; F48-R345 HydrophobicContact CE1-CG 4.01Å; F48-R345 HydrophobicContact CE2-CG 4.04Å; F48-R345 HydrophobicContact CG-CB 4.08Å; F48-R345 HydrophobicContact CG-CG 4.21Å; F48-R345 HydrophobicContact CZ-CB 4.12Å; F48-R345 HydrophobicContact CZ-CG 3.95Å; D85-R345 WeakPolarHBondContact OD2-CD 3.29Å; D85-R345 IonicContact OD2-CZ 2.74Å; D85-R345 IonicContact OD2-NE 2.72Å; D85-R345 IonicContact OD2-NH1 3.15Å; D85-R345 PolarHBondContact OD2-NH1 2.94Å; V341-R345 PolarHBondContact O-N 3.11Å; V341-R345 VanDerWaalsContact O-N 3.14Å; S342-R345 CarbonylContact O-C 3.48Å; S342-R345 WeakPolarHBondContact O-CA 3.38Å; S342-R345 WeakPolarHBondContact O-CB 3.31Å; S342-R345 PolarHBondContact O-N 3.36Å; S342-R345 PolarHBondContact OG-NH2 3.34Å; R345-L348 WeakPolarHBondContact O-CB 3.49Å; R345-L348 PolarHBondContact O-N 3.48Å; R345-Y349 HydrophobicContact CG-CD2 3.81Å; R345-Y349 HydrophobicContact CG-CE1 4.32Å; R345-Y349 HydrophobicContact CG-CE2 3.32Å; R345-Y349 HydrophobicContact CG-CG 4.49Å; R345-Y349 VanDerWaalsContact O-CG 3.3Å; R345-Y349 PolarHBondContact O-N 3.01Å |
| 346 | D | 91.4 | Very high | 85.7 | Confident | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.7 | -39.3 | -168.2 | -53.2 | -24 | 0 | 0 | 0 | 109.7 | S342 Y349 Q350 | S342-D346 WeakPolarHBondContact CB-OD2 3.2Å; S342-D346 WeakPolarHBondContact O-CB 3.32Å; S342-D346 PolarHBondContact O-N 3.28Å; S342-D346 PolarHBondContact OG-OD2 2.94Å; D346-Y349 PolarHBondContact O-N 2.98Å; D346-Q350 VanDerWaalsContact O-CG 3.29Å; D346-Q350 WeakPolarHBondContact O-CG 3.49Å; D346-Q350 PolarHBondContact O-N 3.47Å |
| 347 | R | 90.8 | Very high | 84.7 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 168.4 | -67 | -59 | -165.2 | -179.1 | 4.7 | 112.4 | F58 L333 E343 Y349 Q350 M351 | F58-R347 HydrophobicContact CE2-CB 3.84Å; F58-R347 HydrophobicContact CZ-CB 4.48Å; L333-R347 HydrophobicContact CD1-CB 4.05Å; L333-R347 HydrophobicContact CD1-CG 4.08Å; L333-R347 HydrophobicContact CD2-CG 4.24Å; E343-R347 WeakPolarHBondContact O-CB 3.44Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 2.85Å; R347-Y349 VanDerWaalsContact C-N 3.34Å; R347-Y349 PolarHBondContact O-N 3.26Å; R347-Q350 WeakPolarHBondContact O-CB 3.25Å; R347-Q350 PolarHBondContact O-N 2.88Å; R347-M351 WeakPolarHBondContact O-CG 3.22Å; R347-M351 PolarHBondContact O-N 2.95Å |
| 348 | L | 91.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -39 | 176.2 | -173.1 | 57.8 | 0 | 0 | 0 | 111.9 | F48 F58 I61 I88 Y344 R345 M351 I352 | F48-L348 HydrophobicContact CE1-CD2 4.38Å; F48-L348 HydrophobicContact CZ-CD2 4.11Å; F58-L348 HydrophobicContact CD2-CB 4.03Å; F58-L348 HydrophobicContact CD2-CD1 4.4Å; F58-L348 HydrophobicContact CE2-CB 4.39Å; I61-L348 HydrophobicContact CB-CD1 4.2Å; I61-L348 HydrophobicContact CD1-CD1 3.78Å; I61-L348 HydrophobicContact CD1-CD2 3.72Å; I61-L348 HydrophobicContact CD1-CG 4.35Å; I61-L348 HydrophobicContact CG2-CD1 3.87Å; I88-L348 HydrophobicContact CD1-CD2 3.58Å; I88-L348 HydrophobicContact CD1-CG 4.36Å; Y344-L348 WeakPolarHBondContact O-CB 3.47Å; Y344-L348 PolarHBondContact O-N 2.91Å; Y344-L348 VanDerWaalsContact O-N 3.11Å; R345-L348 WeakPolarHBondContact O-CB 3.49Å; R345-L348 PolarHBondContact O-N 3.48Å; L348-M351 PolarHBondContact O-N 3.09Å; L348-I352 HydrophobicContact CG-CD1 4.37Å; L348-I352 VanDerWaalsContact O-CG1 3.31Å; L348-I352 WeakPolarHBondContact O-CG1 3.43Å; L348-I352 PolarHBondContact O-N 2.71Å |
| 349 | Y | 90.8 | Very high | 81.7 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.8 | -30.3 | 177.9 | -65.7 | -10.7 | 0 | 0 | 0 | 112.7 | F48 R81 D85 R345 D346 R347 I352 S353 | F48-Y349 HydrophobicContact CE2-CE1 4.28Å; F48-Y349 WeakPolarHBondContact CE2-OH 3.43Å; F48-Y349 HydrophobicContact CZ-CE1 4.16Å; R81-Y349 HydrophobicContact CB-CE1 4.2Å; R81-Y349 HydrophobicContact CG-CE1 3.9Å; R81-Y349 HydrophobicContact CG-CE2 4.18Å; D85-Y349 PolarHBondContact O-OH 3.33Å; D85-Y349 VanDerWaalsContact OD1-CE2 3.24Å; D85-Y349 WeakPolarHBondContact OD1-CE2 3.44Å; D85-Y349 PolarHBondContact OD1-OH 3.21Å; R345-Y349 HydrophobicContact CG-CD2 3.81Å; R345-Y349 HydrophobicContact CG-CE1 4.32Å; R345-Y349 HydrophobicContact CG-CE2 3.32Å; R345-Y349 HydrophobicContact CG-CG 4.49Å; R345-Y349 VanDerWaalsContact O-CG 3.3Å; R345-Y349 PolarHBondContact O-N 3.01Å; D346-Y349 PolarHBondContact O-N 2.98Å; R347-Y349 VanDerWaalsContact C-N 3.34Å; R347-Y349 PolarHBondContact O-N 3.26Å; Y349-I352 HydrophobicContact CD1-CD1 3.95Å; Y349-I352 HydrophobicContact CE1-CD1 4.47Å; Y349-I352 PolarHBondContact O-N 3.03Å; Y349-S353 WeakPolarHBondContact O-CB 3Å; Y349-S353 PolarHBondContact O-N 2.96Å; Y349-S353 VanDerWaalsContact O-N 3.09Å; Y349-S353 PolarHBondContact O-OG 3.27Å |
| 350 | Q | 90.6 | Very high | 79.4 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 165.5 | -71.7 | 166.2 | 12.5 | 0 | 0 | 110.6 | D346 R347 I352 S353 S354 | D346-Q350 VanDerWaalsContact O-CG 3.29Å; D346-Q350 WeakPolarHBondContact O-CG 3.49Å; D346-Q350 PolarHBondContact O-N 3.47Å; R347-Q350 WeakPolarHBondContact O-CB 3.25Å; R347-Q350 PolarHBondContact O-N 2.88Å; Q350-I352 PolarHBondContact O-N 3.46Å; Q350-S353 PolarHBondContact O-N 3.22Å; Q350-S354 PolarHBondContact O-N 3.48Å; Q350-S354 PolarHBondContact O-OG 2.71Å |
| 351 | M | 88 | Confident | 76.8 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 18% | 0.177 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 177.5 | -69.1 | 172.6 | 67.1 | 0 | 0 | 114 | F58 A62 P332 R347 L348 S353 S354 | F58-M351 HydrophobicContact CE2-SD 3.63Å; F58-M351 HydrophobicContact CZ-SD 3.55Å; F58-M351 VanDerWaalsContact CZ-SD 3.55Å; A62-M351 HydrophobicContact CB-CE 4.37Å; P332-M351 HydrophobicContact CG-CE 4.39Å; P332-M351 HydrophobicContact CG-SD 4.19Å; R347-M351 WeakPolarHBondContact O-CG 3.22Å; R347-M351 PolarHBondContact O-N 2.95Å; L348-M351 PolarHBondContact O-N 3.09Å; M351-S353 VanDerWaalsContact C-N 3.32Å; M351-S354 PolarHBondContact O-OG 3.33Å |
| 352 | I | 86.5 | Confident | 74.4 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 173.7 | -68 | 168.8 | 0 | 0 | 0 | 111.1 | V79 I88 L348 Y349 Q350 | V79-I352 HydrophobicContact CB-CD1 4.22Å; V79-I352 HydrophobicContact CB-CG1 4.03Å; V79-I352 HydrophobicContact CG1-CD1 3.48Å; V79-I352 VanDerWaalsContact CG1-CD1 3.48Å; V79-I352 HydrophobicContact CG1-CG1 3.76Å; I88-I352 HydrophobicContact CD1-CD1 4.29Å; L348-I352 HydrophobicContact CG-CD1 4.37Å; L348-I352 VanDerWaalsContact O-CG1 3.31Å; L348-I352 WeakPolarHBondContact O-CG1 3.43Å; L348-I352 PolarHBondContact O-N 2.71Å; Y349-I352 HydrophobicContact CD1-CD1 3.95Å; Y349-I352 HydrophobicContact CE1-CD1 4.47Å; Y349-I352 PolarHBondContact O-N 3.03Å; Q350-I352 PolarHBondContact O-N 3.46Å |
| 353 | S | 85.4 | Confident | 72.3 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -79 | -43.5 | -174.8 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | Y349 Q350 M351 K355 K356 T357 | Y349-S353 WeakPolarHBondContact O-CB 3Å; Y349-S353 PolarHBondContact O-N 2.96Å; Y349-S353 VanDerWaalsContact O-N 3.09Å; Y349-S353 PolarHBondContact O-OG 3.27Å; Q350-S353 PolarHBondContact O-N 3.22Å; M351-S353 VanDerWaalsContact C-N 3.32Å; S353-K355 VanDerWaalsContact C-N 3.28Å; S353-K355 PolarHBondContact O-N 2.97Å; S353-K356 WeakPolarHBondContact O-CB 3.2Å; S353-K356 PolarHBondContact O-N 2.85Å; S353-T357 PolarHBondContact O-N 3.22Å |
| 354 | S | 80.1 | Confident | 69.8 | Low | 56 Ų | 56 | 70.6 Ų | 70.6 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.7 | -29.9 | 177.5 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | Q350 M351 K356 T357 N358 | Q350-S354 PolarHBondContact O-N 3.48Å; Q350-S354 PolarHBondContact O-OG 2.71Å; M351-S354 PolarHBondContact O-OG 3.33Å; S354-K356 VanDerWaalsContact C-N 3.3Å; S354-K356 PolarHBondContact O-N 3.48Å; S354-T357 WeakPolarHBondContact CA-OG1 3.46Å; S354-T357 PolarHBondContact O-N 2.85Å; S354-T357 PolarHBondContact O-OG1 3.2Å; S354-N358 VanDerWaalsContact O-CG 3.3Å; S354-N358 PolarHBondContact O-N 2.92Å; S354-N358 PolarHBondContact O-OD1 3.05Å |
| 355 | K | 71.8 | Confident | 67.9 | Low | 96 Ų | 96 | 75 Ų | 75 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -27.6 | 172.6 | -70.8 | -161.1 | 173.9 | -158.8 | 0 | 113.4 | Q65 S353 T359 | Q65-K355 VanDerWaalsContact OE1-NZ 3.15Å; S353-K355 VanDerWaalsContact C-N 3.28Å; S353-K355 PolarHBondContact O-N 2.97Å; K355-T359 WeakPolarHBondContact O-CB 3.32Å; K355-T359 PolarHBondContact O-N 3.31Å; K355-T359 PolarHBondContact O-OG1 3.38Å |
| 356 | K | 61.2 | Low | 65.7 | Low | 136 Ų | 136 | 77.2 Ų | 77.2 | 59% | 0.591 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72.4 | -45.2 | 173.5 | -65.4 | 175.4 | -177.3 | 174.8 | 0 | 111.3 | S353 S354 T359 T360 | S353-K356 WeakPolarHBondContact O-CB 3.2Å; S353-K356 PolarHBondContact O-N 2.85Å; S354-K356 VanDerWaalsContact C-N 3.3Å; S354-K356 PolarHBondContact O-N 3.48Å; K356-T359 PolarHBondContact O-N 3.17Å; K356-T360 PolarHBondContact O-N 3.49Å; K356-T360 PolarHBondContact O-OG1 2.79Å |
| 357 | T | 53.4 | Low | 63.5 | Low | 79 Ų | 79 | 79 Ų | 79 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | S353 S354 T359 T360 T361 | S353-T357 PolarHBondContact O-N 3.22Å; S354-T357 WeakPolarHBondContact CA-OG1 3.46Å; S354-T357 PolarHBondContact O-N 2.85Å; S354-T357 PolarHBondContact O-OG1 3.2Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 3.33Å; T357-T360 PolarHBondContact O-N 3.43Å; T357-T360 VanDerWaalsContact O-N 3.12Å; T357-T361 PolarHBondContact O-N 2.83Å; T357-T361 PolarHBondContact O-OG1 3.44Å; T357-T361 VanDerWaalsContact O-OG1 3.06Å |
| 358 | N | 51.2 | Low | 61.2 | Low | 102 Ų | 102 | 74.4 Ų | 74.4 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | -178.8 | -66.4 | 16 | 0 | 0 | 0 | 112.1 | S354 T360 T361 T362 | S354-N358 VanDerWaalsContact O-CG 3.3Å; S354-N358 PolarHBondContact O-N 2.92Å; S354-N358 PolarHBondContact O-OD1 3.05Å; N358-T360 PolarHBondContact O-N 2.9Å; N358-T361 PolarHBondContact O-N 3.09Å; N358-T362 PolarHBondContact O-N 2.93Å; N358-T362 PolarHBondContact O-OG1 3.19Å; N358-T362 VanDerWaalsContact O-OG1 3.11Å |
| 359 | T | 48.6 | Very low | 59.1 | Low | 83 Ų | 83 | 80 Ų | 80 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | K355 K356 T357 I363 | K355-T359 WeakPolarHBondContact O-CB 3.32Å; K355-T359 PolarHBondContact O-N 3.31Å; K355-T359 PolarHBondContact O-OG1 3.38Å; K356-T359 PolarHBondContact O-N 3.17Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 3.33Å; T359-I363 HydrophobicContact CG2-CD1 4.06Å; T359-I363 WeakPolarHBondContact O-CD1 3.03Å; T359-I363 VanDerWaalsContact O-CG1 3.28Å; T359-I363 WeakPolarHBondContact O-CG1 3.43Å; T359-I363 PolarHBondContact O-N 2.95Å |
| 360 | T | 37.3 | Very low | 56.7 | Low | 76 Ų | 76 | 85.4 Ų | 85.4 | 47% | 0.466 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | K356 T357 N358 T362 I363 M364 | K356-T360 PolarHBondContact O-N 3.49Å; K356-T360 PolarHBondContact O-OG1 2.79Å; T357-T360 PolarHBondContact O-N 3.43Å; T357-T360 VanDerWaalsContact O-N 3.12Å; N358-T360 PolarHBondContact O-N 2.9Å; T360-T362 PolarHBondContact O-N 3.2Å; T360-I363 PolarHBondContact O-N 3.16Å; T360-M364 HydrophobicContact CG2-CE 4.43Å; T360-M364 HydrophobicContact CG2-CG 4.28Å; T360-M364 HydrophobicContact CG2-SD 4.38Å; T360-M364 WeakPolarHBondContact O-CG 3.29Å; T360-M364 PolarHBondContact O-N 2.74Å |
| 361 | T | 37.1 | Very low | 54.3 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | T357 N358 I363 M364 I365 | T357-T361 PolarHBondContact O-N 2.83Å; T357-T361 PolarHBondContact O-OG1 3.44Å; T357-T361 VanDerWaalsContact O-OG1 3.06Å; N358-T361 PolarHBondContact O-N 3.09Å; T361-I363 VanDerWaalsContact C-N 3.32Å; T361-I363 PolarHBondContact O-N 2.86Å; T361-M364 PolarHBondContact O-N 3.09Å; T361-I365 HydrophobicContact CG2-CD1 3.85Å; T361-I365 HydrophobicContact CG2-CG1 4.42Å; T361-I365 WeakPolarHBondContact O-CG1 3.49Å; T361-I365 PolarHBondContact O-N 2.91Å |
| 362 | T | 40 | Very low | 51.9 | Low | 75 Ų | 75 | 92.4 Ų | 92.4 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | N358 T360 I365 Q366 | N358-T362 PolarHBondContact O-N 2.93Å; N358-T362 PolarHBondContact O-OG1 3.19Å; N358-T362 VanDerWaalsContact O-OG1 3.11Å; T360-T362 PolarHBondContact O-N 3.2Å; T362-I365 PolarHBondContact O-N 3.37Å; T362-Q366 WeakPolarHBondContact O-CB 3.37Å; T362-Q366 WeakPolarHBondContact O-CG 3.46Å; T362-Q366 PolarHBondContact O-N 2.74Å |
| 363 | I | 46.4 | Very low | 49.4 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 176.7 | -69.1 | 168.1 | 0 | 0 | 0 | 111.5 | T359 T360 T361 N367 | T359-I363 HydrophobicContact CG2-CD1 4.06Å; T359-I363 WeakPolarHBondContact O-CD1 3.03Å; T359-I363 VanDerWaalsContact O-CG1 3.28Å; T359-I363 WeakPolarHBondContact O-CG1 3.43Å; T359-I363 PolarHBondContact O-N 2.95Å; T360-I363 PolarHBondContact O-N 3.16Å; T361-I363 VanDerWaalsContact C-N 3.32Å; T361-I363 PolarHBondContact O-N 2.86Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.36Å; I363-N367 VanDerWaalsContact O-CB 3.23Å; I363-N367 WeakPolarHBondContact O-CB 3.39Å; I363-N367 PolarHBondContact O-N 3.33Å; I363-N367 PolarHBondContact O-ND2 2.78Å |
| 364 | M | 39.6 | Very low | 47 | Very low | 125 Ų | 125 | 101.2 Ų | 101.2 | 62% | 0.616 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.6 | -37.6 | 176.8 | -67.7 | -159.1 | -52.7 | 0 | 0 | 112.4 | T360 T361 N367 G368 | T360-M364 HydrophobicContact CG2-CE 4.43Å; T360-M364 HydrophobicContact CG2-CG 4.28Å; T360-M364 HydrophobicContact CG2-SD 4.38Å; T360-M364 WeakPolarHBondContact O-CG 3.29Å; T360-M364 PolarHBondContact O-N 2.74Å; T361-M364 PolarHBondContact O-N 3.09Å; M364-N367 PolarHBondContact O-N 3.24Å; M364-G368 PolarHBondContact O-N 2.83Å |
| 365 | I | 53.3 | Low | 44.9 | Very low | 96 Ų | 96 | 104.9 Ų | 104.9 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.3 | -47.9 | 173.4 | -68.8 | 168.9 | 0 | 0 | 0 | 110.2 | T361 T362 N367 G368 I369 | T361-I365 HydrophobicContact CG2-CD1 3.85Å; T361-I365 HydrophobicContact CG2-CG1 4.42Å; T361-I365 WeakPolarHBondContact O-CG1 3.49Å; T361-I365 PolarHBondContact O-N 2.91Å; T362-I365 PolarHBondContact O-N 3.37Å; I365-N367 VanDerWaalsContact C-N 3.32Å; I365-N367 PolarHBondContact O-N 2.88Å; I365-G368 PolarHBondContact O-N 3.27Å; I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.45Å; I365-I369 WeakPolarHBondContact O-CG1 2.81Å; I365-I369 PolarHBondContact O-N 2.79Å |
| 366 | Q | 44.2 | Very low | 43.1 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 55% | 0.547 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -33 | 177.8 | -73.3 | 178.1 | -21.9 | 0 | 0 | 113 | T362 N370 | T362-Q366 WeakPolarHBondContact O-CB 3.37Å; T362-Q366 WeakPolarHBondContact O-CG 3.46Å; T362-Q366 PolarHBondContact O-N 2.74Å; Q366-N370 PolarHBondContact O-ND2 3.29Å |
| 367 | N | 46.1 | Very low | 41.8 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -84.2 | -19.2 | 176 | -71 | -22.6 | 0 | 0 | 0 | 113.9 | I363 M364 I365 K371 | I363-N367 WeakPolarHBondContact CG2-ND2 3.36Å; I363-N367 VanDerWaalsContact O-CB 3.23Å; I363-N367 WeakPolarHBondContact O-CB 3.39Å; I363-N367 PolarHBondContact O-N 3.33Å; I363-N367 PolarHBondContact O-ND2 2.78Å; M364-N367 PolarHBondContact O-N 3.24Å; I365-N367 VanDerWaalsContact C-N 3.32Å; I365-N367 PolarHBondContact O-N 2.88Å; N367-K371 WeakPolarHBondContact O-CG 3.41Å |
| 368 | G | 42.2 | Very low | 40.8 | Very low | 32 Ų | 32 | 118.8 Ų | 118.8 | 33% | 0.33 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.3 | -52 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M364 I365 N370 K371 T372 | M364-G368 PolarHBondContact O-N 2.83Å; I365-G368 PolarHBondContact O-N 3.27Å; G368-N370 PolarHBondContact O-N 3.31Å; G368-K371 PolarHBondContact O-N 3.44Å; G368-T372 PolarHBondContact O-OG1 2.97Å |
| 369 | I | 46.4 | Very low | 40 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 61% | 0.605 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.9 | -37.7 | 178.2 | -66.3 | 169.2 | 0 | 0 | 0 | 111.1 | I365 K371 | I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.45Å; I365-I369 WeakPolarHBondContact O-CG1 2.81Å; I365-I369 PolarHBondContact O-N 2.79Å; I369-K371 PolarHBondContact O-N 3.5Å |
| 370 | N | 41.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 15.7 | 177 | -72.3 | -56.7 | 0 | 0 | 0 | 114.8 | Q366 G368 | Q366-N370 PolarHBondContact O-ND2 3.29Å; G368-N370 PolarHBondContact O-N 3.31Å |
| 371 | K | 40.1 | Very low | 39.4 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 2.2 | -178.8 | -77.2 | -165 | 171.5 | -166.2 | 0 | 116 | N367 G368 I369 | N367-K371 WeakPolarHBondContact O-CG 3.41Å; G368-K371 PolarHBondContact O-N 3.44Å; I369-K371 PolarHBondContact O-N 3.5Å |
| 372 | T | 37.5 | Very low | 39.2 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -133.5 | 50.9 | -175.1 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | G368 | G368-T372 PolarHBondContact O-OG1 2.97Š|
| 373 | D | 34.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -152.4 | 37.9 | 179.4 | -147.3 | 7.2 | 0 | 0 | 0 | 113 | ||
| 374 | S | 34.8 | Very low | 38.1 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -145 | 18.2 | -171.4 | 62.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 375 | T | 35.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -158.4 | 77.5 | 171 | -25.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 376 | E | 35.3 | Very low | 37 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -168.5 | 171.4 | 150.8 | -120.1 | 175.5 | -141.5 | 0 | 0 | 113.2 | ||||
| 377 | R | 33.2 | Very low | 36.6 | Very low | 233 Ų | 233 | 137.7 Ų | 137.7 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | 61.7 | 77.5 | 171.8 | -59.9 | -178.5 | -171.1 | -149.7 | -1.9 | 117.2 | ||||
| 378 | K | 32.5 | Very low | 36.2 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -91 | 160.4 | 144.4 | -73.1 | -177.1 | 176 | 178.5 | 0 | 110.2 | ||||
| 379 | N | 34.9 | Very low | 36.2 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 82 | 158.3 | 166.4 | -54.7 | -12.3 | 0 | 0 | 0 | 117.7 | ||||
| 380 | I | 37.5 | Very low | 35.5 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | 68.8 | 102 | -170.5 | -46 | 175.4 | 0 | 0 | 0 | 112.3 | ||||
| 381 | I | 34.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | cis | 110.9 | 126.4 | 20.4 | -64.5 | 171.4 | 0 | 0 | 0 | 112.7 | ||||
| 382 | T | 32.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 61.7 | 127.7 | 166.6 | 47.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 383 | G | 31.3 | Very low | 34.6 | Very low | 66 Ų | 66 | 145.6 Ų | 145.6 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | 133.4 | 82.4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 384 | I | 33.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | 45.7 | 139.7 | 118.3 | -67.7 | 168.9 | 0 | 0 | 0 | 120.3 | |||||
| 385 | P | 34 | Very low | 34.9 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -138.6 | -142.1 | -19.4 | 41.2 | -18.7 | 0 | 0 | 0 | 114.2 | ||||
| 386 | Q | 36.3 | Very low | 35.1 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -126.9 | 160.7 | -170.7 | -54.4 | 173 | -51.4 | 0 | 0 | 115.2 | I388 | Q386-I388 HydrophobicContact CB-CD1 4.42Š| ||
| 387 | S | 36.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -154.1 | 144.2 | 138.4 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 388 | I | 36.2 | Very low | 35.2 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | 96 | 130.9 | 16.8 | -64.3 | 171 | 0 | 0 | 0 | 113.2 | Q386 | Q386-I388 HydrophobicContact CB-CD1 4.42Š| ||
| 389 | P | 42.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -143 | -163.7 | -24.8 | 42.1 | -22 | 0 | 0 | 0 | 113.5 | ||||
| 390 | C | 33 | Very low | 35.4 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | 177 | 158.7 | 103.9 | -149.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 391 | S | 31.3 | Very low | 35.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -152 | 154.5 | -179 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 392 | T | 33.8 | Very low | 35.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -80.1 | 159.3 | -175.5 | 44 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 393 | Y | 34.6 | Very low | 35.1 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -51.6 | 162.1 | 176.7 | -67.6 | -96.8 | 0 | 0 | 0 | 114.7 | ||||
| 394 | S | 36.7 | Very low | 35.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -154.4 | 167.1 | 17.3 | 107.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 395 | H | 38.8 | Very low | 35.4 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | 11.9 | 137.1 | 150.4 | -53.6 | -77.3 | 0 | 0 | 0 | 119.1 | ||||
| 396 | H | 38.5 | Very low | 36 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 73% | 0.731 | 74% | 0.738 | S | S | * | * | cis | -179 | -175.3 | 17.7 | -126.4 | 6.8 | 0 | 0 | 0 | 110.1 | ||||
| 397 | K | 35.9 | Very low | 35.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | cis | -165.3 | 116.7 | -4.1 | 177.8 | 177.5 | -174.8 | 179.1 | 0 | 111.1 | ||||
| 398 | K | 34.9 | Very low | 35.9 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 73% | 0.726 | 74% | 0.739 | S | S | * | * | trans | 58.8 | 118 | 156.5 | -68.8 | -167.1 | 161.5 | -158.9 | 0 | 120.5 | ||||
| 399 | Q | 35.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 80.8 | 145.5 | 96.3 | -68.6 | 169.1 | -34 | 0 | 0 | 114.2 | |||||
| 400 | S | 36.4 | Very low | 35.6 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | -153.7 | 136.8 | 22.1 | -11.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 401 | T | 33.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | 47.3 | 138 | 98.4 | 67.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 402 | T | 32.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | cis | -160.3 | -144.9 | -13.8 | 31.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 403 | K | 32.7 | Very low | 35.8 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | cis | -171.8 | 155.8 | 2.8 | -144.7 | 177.5 | 174.4 | -136.8 | 0 | 110.7 | ||||
| 404 | H | 35.8 | Very low | 35.7 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 162.5 | 162.4 | -66.7 | -60.2 | 0 | 0 | 0 | 118.5 | ||||
| 405 | N | 33.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | cis | -154.8 | 169.4 | -11.6 | -117.6 | 4.4 | 0 | 0 | 0 | 111.8 | ||||
| 406 | P | 47.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | -111.5 | -179.8 | -178.3 | 41.6 | -34.1 | 0 | 0 | 0 | 116.2 | ||||
| 407 | S | 32.7 | Very low | 35.1 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | 116.7 | 154.1 | 175.5 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 408 | S | 37 | Very low | 34.9 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | cis | -152.7 | 167.8 | 12 | 51 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 409 | N | 33.9 | Very low | 34.6 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 5.6 | 142.8 | 155.9 | -52.1 | -12.4 | 0 | 0 | 0 | 121.3 | ||||
| 410 | H | 38.4 | Very low | 34.6 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | -179.4 | 173.2 | 74.8 | -87.3 | -88.3 | 0 | 0 | 0 | 108.8 | |||||
| 411 | Q | 33.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | cis | -178.7 | 171.9 | -31.4 | -170.3 | 169.1 | 12.2 | 0 | 0 | 106.8 | ||||
| 412 | T | 34.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | 77.2 | 136.1 | 163.8 | -59.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 413 | T | 34.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | cis | -161.2 | 148.3 | -12.4 | -106.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 414 | I | 32.2 | Very low | 34 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | trans | -2.2 | 147.7 | 142.1 | -16.9 | 172.2 | 0 | 0 | 0 | 117.9 | K416 | I414-K416 HydrophobicContact CG2-CD 4.41Å; I414-K416 HydrophobicContact CG2-CG 4.41Å | ||
| 415 | I | 37.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | -155.8 | 138.7 | 54.1 | -68.8 | 165.7 | 0 | 0 | 0 | 107.7 | |||||
| 416 | K | 30 | Very low | 33.5 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | cis | 101.4 | 139.5 | 37.9 | -104.9 | -166.8 | 177.2 | -165.8 | 0 | 114.2 | I414 | I414-K416 HydrophobicContact CG2-CD 4.41Å; I414-K416 HydrophobicContact CG2-CG 4.41Å | ||
| 417 | G | 34 | Very low | 32.7 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | 119.3 | 102.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 418 | Q | 31 | Very low | 32.7 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | cis | 70.2 | 136.7 | 44 | -54.3 | -165.3 | -105.4 | 0 | 0 | 113.4 | ||||
| 419 | D | 30.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 58% | 0.578 | 71% | 0.705 | S | S | * | * | cis | -165.4 | -176.7 | -13.6 | -110.6 | -41.9 | 0 | 0 | 0 | 109.3 | ||||
| 420 | H | 35.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.787 | 70% | 0.697 | S | S | * | * | trans | 72.5 | 162.3 | 158.6 | -61.3 | -48.8 | 0 | 0 | 0 | 119.3 | ||||
| 421 | H | 31 | Very low | 32.3 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 65% | 0.653 | 70% | 0.695 | S | S | * | * | cis | -176.8 | 161.5 | -44.5 | -131.6 | -116.4 | 0 | 0 | 0 | 107.6 | ||||
| 422 | H | 33.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | 63.5 | 155.9 | 162.5 | -67.3 | -61.6 | 0 | 0 | 0 | 117.4 | ||||
| 423 | D | 31.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | cis | -150.9 | -173.3 | -25.9 | -135.3 | -39.8 | 0 | 0 | 0 | 111.8 | ||||
| 424 | L | 27.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | -75 | 165.5 | 171.5 | -67.9 | 82.9 | 0 | 0 | 0 | 114.5 | ||||
| 425 | Q | 27.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | 84.2 | 152.4 | 145 | -81.1 | 166.9 | 23.2 | 0 | 0 | 122.9 | ||||
| 426 | H | 30.1 | Very low | 32.1 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | 76.7 | 122.1 | 155.5 | -79.9 | -71.8 | 0 | 0 | 0 | 124.2 | ||||
| 427 | H | 32.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 75% | 0.75 | 69% | 0.688 | S | S | * | * | trans | 64.8 | 168.4 | 144.9 | -65.2 | -50.4 | 0 | 0 | 0 | 121.9 | ||||
| 428 | H | 31.5 | Very low | 32.6 | Very low | 143 Ų | 143 | 147 Ų | 147 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | cis | -174 | 136.1 | -43.9 | -173.6 | 73.2 | 0 | 0 | 0 | 110.9 | ||||
| 429 | Q | 31.1 | Very low | 32.5 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | trans | 60 | 165.8 | 170 | -80.8 | -178.6 | 9.8 | 0 | 0 | 117.6 | ||||
| 430 | Q | 32.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 55% | 0.547 | 70% | 0.702 | S | S | . | * | cis | -133 | -166 | -5.9 | -131.3 | 171.7 | 84.7 | 0 | 0 | 107.2 | Q432 | Q430-Q432 VanDerWaalsContact OE1-OE1 3.08Š| ||
| 431 | H | 36.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | cis | -126.6 | -161.5 | 11.7 | -85 | -57.7 | 0 | 0 | 0 | 109.4 | ||||
| 432 | Q | 32.5 | Very low | 32.3 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | cis | 63.3 | 145.8 | 26.9 | -55.3 | 123.3 | -61.6 | 0 | 0 | 114.9 | Q430 | Q430-Q432 VanDerWaalsContact OE1-OE1 3.08Š| ||
| 433 | E | 33.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | cis | -145.2 | -172.4 | -7.2 | -117.9 | -84.6 | 86.1 | 0 | 0 | 106.1 | Q435 | E433-Q435 PolarHBondContact OE1-N 3.32Å; E433-Q435 WeakPolarHBondContact OE2-CG 3.4Å; E433-Q435 PolarHBondContact OE2-NE2 2.99Å | ||
| 434 | Q | 35.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | cis | -139.7 | 147.4 | 27.2 | -77.1 | -179.3 | -18.2 | 0 | 0 | 114.2 | ||||
| 435 | Q | 35.1 | Very low | 32.4 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 64% | 0.64 | 73% | 0.728 | S | S | * | * | trans | 9.5 | 154.5 | 131 | -72.9 | 162.7 | 69 | 0 | 0 | 121.3 | E433 | E433-Q435 PolarHBondContact OE1-N 3.32Å; E433-Q435 WeakPolarHBondContact OE2-CG 3.4Å; E433-Q435 PolarHBondContact OE2-NE2 2.99Å | ||
| 436 | Q | 32.2 | Very low | 32.4 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | -179.4 | -176 | -25.4 | -122.5 | -174.3 | 39.7 | 0 | 0 | 107.7 | ||||
| 437 | Q | 36.3 | Very low | 32.4 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | 73.1 | 147.7 | 174.4 | -48.3 | -174.5 | 36.1 | 0 | 0 | 115 | ||||
| 438 | Q | 37.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | cis | -144.5 | 176.5 | 1 | -132.1 | 169.5 | 69.5 | 0 | 0 | 109.7 | ||||
| 439 | S | 29 | Very low | 32.3 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -140.9 | 168.7 | -171 | 64.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 440 | N | 27.8 | Very low | 32.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | 79 | 120.7 | 172.5 | -56.3 | -38.9 | 0 | 0 | 0 | 118.7 | ||||
| 441 | E | 35 | Very low | 32.3 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | 166.7 | 126 | 121.4 | -88.6 | -179.8 | 177 | 0 | 0 | 107.4 | |||||
| 442 | K | 30.5 | Very low | 32.1 | Very low | 184 Ų | 184 | 145 Ų | 145 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | cis | 103.9 | 132.1 | 39 | -95.7 | -170.1 | 174.6 | 177 | 0 | 112.8 | ||||
| 443 | N | 32.1 | Very low | 32 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 84.7 | 132.7 | 158.5 | -54.1 | -14.4 | 0 | 0 | 0 | 120.7 | ||||
| 444 | T | 27.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -99.9 | 177.3 | 167.3 | -6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 445 | P | 33.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | -151.3 | -146.5 | 53.1 | 43.1 | -18.6 | 0 | 0 | 0 | 116.3 | |||||
| 446 | Q | 27.7 | Very low | 31.7 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -94.3 | 152.1 | -157.2 | -51 | 122.9 | -101.6 | 0 | 0 | 117.9 | ||||
| 447 | S | 31.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -163.6 | 139.4 | 140.8 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 448 | H | 31.3 | Very low | 31.6 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | 61.4 | 127 | 65.6 | -95.6 | -61.1 | 0 | 0 | 0 | 113.3 | |||||
| 449 | C | 30.3 | Very low | 31.2 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | cis | -149.1 | 166.3 | -2.1 | -31.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 450 | D | 30.7 | Very low | 31.1 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 50.3 | 163 | 145.4 | -40.4 | -32.6 | 0 | 0 | 0 | 120.9 | ||||
| 451 | D | 32.9 | Very low | 31 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -154.1 | 161.9 | 4 | -154.3 | -6.6 | 0 | 0 | 0 | 114.2 | ||||
| 452 | T | 31.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 140 Ų | 140 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | trans | 71.7 | 126.1 | 157.1 | 72 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 453 | N | 30.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | 98.5 | 136.9 | 127.2 | -90.6 | -41 | 0 | 0 | 0 | 125.4 | |||||
| 454 | S | 31.8 | Very low | 30.1 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 80.7 | 87.4 | 154.3 | -169.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 455 | S | 31.4 | Very low | 30.1 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | 60.2 | 132 | 117.5 | 158.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 456 | K | 34.7 | Very low | 29.8 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | cis | -171.4 | 141.1 | 9.8 | -105.9 | 166.4 | -157.3 | 117.2 | 0 | 111.6 | ||||
| 457 | K | 35.1 | Very low | 29.9 | Very low | 177 Ų | 177 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 148.8 | 150.1 | -61.9 | 176.2 | -179.2 | -179.1 | 0 | 119.9 | ||||
| 458 | N | 31.9 | Very low | 29.8 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | cis | -162.9 | 147.5 | -21.9 | -111.3 | 17.2 | 0 | 0 | 0 | 108.5 | ||||
| 459 | H | 28.2 | Very low | 29.9 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | trans | -144.8 | -156.2 | 173.2 | -148 | -18.2 | 0 | 0 | 0 | 110.4 | ||||
| 460 | V | 28 | Very low | 29.9 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | 87.2 | 162.8 | 172.1 | -170 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 461 | V | 25.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | -138.8 | 160.9 | -149.8 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 462 | C | 25.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | 91.4 | 169.4 | 150.9 | -143 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 463 | V | 26.3 | Very low | 29.6 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | trans | 85.7 | 124.5 | 164.1 | -159.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 464 | Q | 26.4 | Very low | 29.6 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | trans | -30.3 | 150.7 | 157.7 | -149.8 | 108.1 | -56.7 | 0 | 0 | 116.4 | ||||
| 465 | V | 27.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | trans | -127.7 | 105.9 | 169.8 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | L467 | V465-L467 HydrophobicContact CG1-CD1 3.69Š| ||
| 466 | N | 26.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -99.4 | 132.7 | 174.1 | -90.9 | -4.8 | 0 | 0 | 0 | 110.9 | ||||
| 467 | L | 30.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 64% | 0.644 | 69% | 0.692 | S | S | * | * | trans | -113.1 | 53.9 | 172.9 | -94.6 | 75.8 | 0 | 0 | 0 | 113 | V465 | V465-L467 HydrophobicContact CG1-CD1 3.69Š| ||
| 468 | L | 28.8 | Very low | 29.2 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 48% | 0.482 | 69% | 0.688 | S | S | . | * | trans | 42.4 | 115.8 | 132.8 | -62.3 | 159.4 | 0 | 0 | 0 | 119.9 | R1044 | L468-R1044 WeakPolarHBondContact O-CB 3.4Å; L468-R1044 PolarHBondContact O-NE 2.71Å; L468-R1044 VanDerWaalsContact O-NE 3.11Å | ||
| 469 | H | 33 | Very low | 29.4 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 36% | 0.356 | 68% | 0.684 | S | S | . | * | trans | -122.8 | 128.5 | 145.2 | -105.1 | 43.6 | 0 | 0 | 0 | 113.6 | P1042 L1043 R1044 Y1046 | H469-P1042 HydrophobicContact CB-CB 3.89Å; H469-L1043 VanDerWaalsContact CE1-C 3.42Å; H469-L1043 PolarHBondContact CE1-O 2.65Å; H469-L1043 PolarHBondContact ND1-N 3.48Å; H469-R1044 WeakPolarHBondContact CE1-CA 3.28Å; H469-Y1046 AromaticContact NE2-CE2 3.57Å | ||
| 470 | Q | 30.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | -81.4 | 149.2 | 156.8 | -85.1 | 158.7 | 9.6 | 0 | 0 | 107.5 | R1044 Y1046 | Q470-R1044 VanDerWaalsContact CD-NH2 3.33Å; Q470-R1044 VanDerWaalsContact CG-NH2 3.33Å; Q470-Y1046 HydrophobicContact CB-CE2 4.29Å; Q470-Y1046 VanDerWaalsContact CB-OH 3.28Å; Q470-Y1046 WeakPolarHBondContact CB-OH 3.48Å; Q470-Y1046 PolarHBondContact O-OH 3.1Å; Q470-Y1046 PolarHBondContact OE1-OH 2.81Å | ||
| 471 | G | 30.7 | Very low | 29.9 | Very low | 48 Ų | 48 | 123.2 Ų | 123.2 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | 163.9 | 70.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 472 | T | 30.7 | Very low | 30.2 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | trans | 58.7 | 172.7 | 163.9 | 48.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 473 | Q | 28.7 | Very low | 30.3 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | -163.3 | 153.4 | -72 | -137.3 | -174.4 | 2 | 0 | 0 | 109.2 | |||||
| 474 | N | 30 | Very low | 30.6 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 67% | 0.667 | S | S | * | * | trans | 67.4 | 151.4 | 169.1 | -43.6 | -26.8 | 0 | 0 | 0 | 115.6 | ||||
| 475 | H | 32.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 80% | 0.801 | 67% | 0.67 | S | S | * | * | cis | -124.5 | 142.1 | -5.6 | -76.6 | -87.6 | 0 | 0 | 0 | 108.1 | ||||
| 476 | S | 28.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | 83.8 | 158.7 | 70.9 | -151.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 477 | I | 32.8 | Very low | 31.4 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 80% | 0.795 | 68% | 0.681 | S | S | * | * | trans | 77.1 | 98.2 | -170.1 | -50.3 | 170.4 | 0 | 0 | 0 | 111.8 | ||||
| 478 | N | 31.1 | Very low | 31.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | 62.7 | 133.1 | 77.9 | -71.4 | 16 | 0 | 0 | 0 | 112.9 | |||||
| 479 | H | 35.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | cis | -153.1 | 167.3 | 17.8 | -108.5 | -55.7 | 0 | 0 | 0 | 108.9 | ||||
| 480 | D | 34.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 56% | 0.561 | 72% | 0.724 | S | S | * | * | cis | -147.9 | -78.9 | -3.6 | -171.4 | -129.1 | 0 | 0 | 0 | 113.6 | ||||
| 481 | K | 32.8 | Very low | 31.9 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -144.8 | 161.4 | -167.6 | -66.9 | 172.6 | -163.9 | 76.2 | 0 | 108.5 | ||||
| 482 | V | 31.5 | Very low | 31.9 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | cis | -140 | 151 | 41.5 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 483 | A | 28.7 | Very low | 31.9 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -130.4 | 144 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 484 | I | 32.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -129.3 | 134.7 | 164.2 | -63.6 | -177.1 | 0 | 0 | 0 | 108 | ||||
| 485 | L | 31.1 | Very low | 32 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -101.3 | 155.4 | -174.8 | -73.1 | 161.6 | 0 | 0 | 0 | 111.7 | ||||
| 486 | T | 32.7 | Very low | 32 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -69 | 155.8 | 167.3 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 487 | P | 34.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | -141.7 | -163 | 110.6 | 36.7 | -21.1 | 0 | 0 | 0 | 114.8 | |||||
| 488 | K | 32.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 131 Ų | 131 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -116.7 | 152.7 | -157.4 | -91.2 | 179.1 | 167.4 | -175 | 0 | 114.2 | ||||
| 489 | L | 33 | Very low | 32.6 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 65.3 | 169.5 | 144.4 | -70.5 | 168.2 | 0 | 0 | 0 | 117.6 | ||||
| 490 | P | 35.6 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | cis | -117.9 | -155.3 | -7.9 | 29.5 | -7.6 | 0 | 0 | 0 | 112.8 | ||||
| 491 | A | 32.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -130.1 | -173.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 492 | M | 29.2 | Very low | 32.7 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 89% | 0.892 | 75% | 0.746 | S | S | * | * | trans | 84 | 142.1 | -179.1 | -54.5 | -170.7 | 72.8 | 0 | 0 | 114.4 | ||||
| 493 | S | 31.2 | Very low | 32.8 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | cis | -166.1 | 157.7 | -5 | 39.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 494 | S | 29.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 38.1 | 142.7 | 145.2 | 67.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 495 | A | 31.3 | Very low | 32.9 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | cis | -172.7 | -179.6 | 41.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 496 | N | 33.6 | Very low | 32.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 67.1 | 153.1 | 162.7 | -65.3 | 41.3 | 0 | 0 | 0 | 115.3 | ||||
| 497 | D | 32.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | cis | -166.3 | 162 | -7.3 | -105.9 | -22.6 | 0 | 0 | 0 | 107.7 | ||||
| 498 | I | 35.5 | Very low | 32.6 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | cis | -163.6 | 166.9 | -10 | -162.3 | 170.9 | 0 | 0 | 0 | 109.7 | ||||
| 499 | N | 34.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | trans | 67.2 | 115.8 | 158.4 | -77.8 | -10.7 | 0 | 0 | 0 | 123.9 | ||||
| 500 | N | 34.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | 86.8 | 100.4 | 120.1 | -66.1 | -3 | 0 | 0 | 0 | 123.7 | |||||
| 501 | N | 36.1 | Very low | 32 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | 107.3 | 132 | 111.4 | -70.2 | -7 | 0 | 0 | 0 | 121.5 | |||||
| 502 | N | 34.2 | Very low | 32 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 75.8 | 72.2 | 148.7 | -62.5 | -4.2 | 0 | 0 | 0 | 120.7 | ||||
| 503 | S | 33.3 | Very low | 32 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 70.8 | 138.7 | 109.4 | -60.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 504 | T | 34.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 70.7 | 77 | 148 | 43.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 505 | N | 29.2 | Very low | 32.4 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | 6.6 | 122.9 | 135.4 | -64.5 | -3.6 | 0 | 0 | 0 | 118.4 | ||||
| 506 | C | 30.3 | Very low | 32.5 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | -114.8 | 151.4 | 149.6 | -81.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 507 | N | 27.5 | Very low | 32.6 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -72.7 | 158.6 | 164.2 | -51.8 | -67.4 | 0 | 0 | 0 | 109.8 | ||||
| 508 | I | 33.6 | Very low | 32.6 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | trans | -167.7 | 145 | 138 | -102.3 | 150.4 | 0 | 0 | 0 | 110.1 | ||||
| 509 | T | 27.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | -111.6 | 143.6 | 172.6 | 45.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 510 | G | 28.4 | Very low | 32.5 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | 157.6 | 157.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 511 | F | 32.5 | Very low | 32.3 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | 76.7 | 88.1 | 152 | -57.4 | -74.2 | 0 | 0 | 0 | 121.4 | ||||
| 512 | N | 31.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | 45.2 | 117.4 | 110.6 | -65.5 | 4.4 | 0 | 0 | 0 | 121.9 | |||||
| 513 | N | 29.6 | Very low | 32.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | 58.6 | 141.6 | 116.6 | -54.8 | -6.4 | 0 | 0 | 0 | 123.2 | |||||
| 514 | N | 33.5 | Very low | 32 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 145.7 | 162.2 | -55.9 | -16.5 | 0 | 0 | 0 | 115.5 | ||||
| 515 | A | 35.2 | Very low | 31.9 | Very low | 76 Ų | 76 | 140 Ų | 140 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | cis | -153.5 | 165.2 | 19 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 516 | N | 34.3 | Very low | 31.9 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 64.9 | 144.3 | 145 | -66.7 | -18.4 | 0 | 0 | 0 | 120.2 | ||||
| 517 | Q | 35.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | cis | -170.7 | 159.7 | -17.6 | -127.9 | 176.4 | 71 | 0 | 0 | 109.6 | ||||
| 518 | L | 32.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 66.6 | 145.4 | 159.9 | -58.7 | 160 | 0 | 0 | 0 | 117.5 | ||||
| 519 | H | 36.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | cis | -157.4 | 144.6 | -15.5 | -137.7 | -23.7 | 0 | 0 | 0 | 110.4 | ||||
| 520 | N | 32 | Very low | 32.4 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 43.1 | 118.2 | 154.2 | -59.9 | -4.6 | 0 | 0 | 0 | 121.2 | ||||
| 521 | G | 31.6 | Very low | 32.4 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -159.3 | 6.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 522 | H | 35.1 | Very low | 32.5 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | 66.9 | 147.9 | 173.4 | -93.5 | 66.3 | 0 | 0 | 0 | 120.7 | ||||
| 523 | H | 31.9 | Very low | 32.5 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | trans | 65.7 | 110.1 | 158.5 | -72.2 | -51.1 | 0 | 0 | 0 | 124 | ||||
| 524 | I | 30.5 | Very low | 32.7 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | 63.2 | 95.5 | 130 | -51.9 | 164.3 | 0 | 0 | 0 | 117.3 | |||||
| 525 | N | 32.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -155.6 | 106.3 | 138.3 | -110.6 | -34.2 | 0 | 0 | 0 | 109.9 | N527 | N525-N527 PolarHBondContact O-N 2.74Š| ||
| 526 | G | 29.1 | Very low | 32.4 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -92.1 | 94.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 527 | N | 36.1 | Very low | 32.4 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | -77.4 | 110.3 | 144.7 | -83.3 | -24.7 | 0 | 0 | 0 | 105.8 | N525 | N525-N527 PolarHBondContact O-N 2.74Š| ||
| 528 | I | 30.7 | Very low | 32.4 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | 62.1 | 80 | 88.7 | -59.1 | 167.5 | 0 | 0 | 0 | 110.3 | |||||
| 529 | N | 28.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 176.8 | 107 | 145.8 | -89.7 | -16.8 | 0 | 0 | 0 | 108.2 | Y531 | N529-Y531 WeakPolarHBondContact O-CD2 3.24Š| ||
| 530 | D | 32.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -128 | 131.1 | 167.9 | -59.8 | -65.8 | 0 | 0 | 0 | 105.3 | ||||
| 531 | Y | 30.1 | Very low | 32.9 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | cis | 64 | 132 | 40.6 | -54.2 | -68.2 | 0 | 0 | 0 | 111.7 | N529 | N529-Y531 WeakPolarHBondContact O-CD2 3.24Š| ||
| 532 | D | 33.8 | Very low | 33.1 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | cis | -151.7 | -172.1 | -1.9 | -127.4 | -33.6 | 0 | 0 | 0 | 112 | ||||
| 533 | Y | 31.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | -30.9 | 145 | 166 | -91.7 | -104.3 | 0 | 0 | 0 | 117.1 | ||||
| 534 | D | 33.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | -164.5 | 151.9 | 94.6 | -110.4 | -29.8 | 0 | 0 | 0 | 113.4 | |||||
| 535 | D | 32.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | trans | -95.6 | 170 | -173.4 | -77.1 | -60.8 | 0 | 0 | 0 | 114.2 | ||||
| 536 | N | 30.9 | Very low | 33.2 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 127.6 | 154.8 | 135.1 | -65.4 | -73.2 | 0 | 0 | 0 | 117.5 | ||||
| 537 | V | 35 | Very low | 33.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 73.1 | 121.9 | 163.7 | -169.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 538 | N | 33.6 | Very low | 33 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | cis | -154.2 | 136 | -13 | -96.9 | 11.2 | 0 | 0 | 0 | 103.8 | ||||
| 539 | D | 37.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | 96.9 | 149.8 | 58.2 | -84.7 | -34.4 | 0 | 0 | 0 | 114.7 | |||||
| 540 | D | 36.6 | Very low | 33 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 62.6 | 135.1 | 176.2 | -53.3 | -33.6 | 0 | 0 | 0 | 118.8 | ||||
| 541 | D | 38.2 | Very low | 32.8 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -126.2 | 140.9 | -3.4 | -86.7 | -63.7 | 0 | 0 | 0 | 109.5 | ||||
| 542 | N | 36 | Very low | 32.8 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 53% | 0.529 | 75% | 0.749 | S | S | . | * | 65.7 | 125.9 | 62.1 | -134.5 | -7 | 0 | 0 | 0 | 111.6 | N544 | N542-N544 PolarHBondContact OD1-ND2 3.09Š| |||
| 543 | Y | 36.3 | Very low | 32.7 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | cis | -143.8 | 139.6 | 40.1 | -97.8 | -107 | 0 | 0 | 0 | 115.1 | ||||
| 544 | N | 34.1 | Very low | 32.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 34.1 | 146.2 | 124.2 | -71.6 | -65.1 | 0 | 0 | 0 | 121.7 | N542 | N542-N544 PolarHBondContact OD1-ND2 3.09Š| |||
| 545 | V | 31.5 | Very low | 33 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | cis | -173.9 | 174.4 | -10.3 | 81.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 546 | L | 30.4 | Very low | 32.9 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | -152 | 176.7 | 15.6 | -129.8 | -174.8 | 0 | 0 | 0 | 110.7 | ||||
| 547 | H | 29.5 | Very low | 33.1 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -71.4 | 145.8 | 163.3 | -84.5 | -124.3 | 0 | 0 | 0 | 113.3 | ||||
| 548 | R | 30.1 | Very low | 33 | Very low | 248 Ų | 248 | 134 Ų | 134 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | -171.4 | 149.3 | 110.6 | -102.7 | 173.4 | -171.1 | -149.3 | 1.8 | 113.2 | |||||
| 549 | S | 27.7 | Very low | 33.1 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -95.1 | 126.6 | 177.1 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 550 | A | 32.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | trans | -153.7 | 152.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 551 | S | 27.9 | Very low | 32.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -113 | 116 | -175.4 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 552 | S | 31.1 | Very low | 32.6 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -164.2 | 132 | 167.1 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 553 | S | 31.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 38.3 | 108.6 | 146.8 | 57.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 554 | L | 36 | Very low | 32.6 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 2.5 | 144.5 | 119.4 | -92.1 | 164.8 | 0 | 0 | 0 | 118 | |||||
| 555 | P | 34 | Very low | 32.4 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | -137.4 | 159.3 | 80.2 | 39.2 | -27.1 | 0 | 0 | 0 | 116.8 | |||||
| 556 | S | 31.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -101.8 | 148 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 557 | A | 34.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -123 | 132 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 558 | I | 32.9 | Very low | 32.5 | Very low | 145 Ų | 145 | 128 Ų | 128 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | -139.2 | 129 | 176.9 | -61.4 | 174.1 | 0 | 0 | 0 | 108 | ||||
| 559 | P | 37.1 | Very low | 32.5 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -85.6 | 114.1 | 160.9 | -0.5 | 19.6 | 0 | 0 | 0 | 109.4 | ||||
| 560 | S | 32 | Very low | 32.5 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | -101.5 | 131.3 | 173.7 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 561 | L | 36.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -110.3 | 130.1 | 164.5 | -123.9 | 74.6 | 0 | 0 | 0 | 110.1 | ||||
| 562 | T | 32.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -135 | 127.7 | -174.3 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 563 | G | 34.7 | Very low | 32.7 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 168.4 | 136.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 564 | A | 36.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | cis | -137.3 | 170.9 | -10.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 565 | A | 29.6 | Very low | 32.4 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -112.3 | 153.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 566 | V | 32.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 92% | 0.915 | 80% | 0.803 | S | S | * | * | trans | -131.4 | 131.8 | 158 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 567 | M | 29.5 | Very low | 32.2 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -90.5 | 145.8 | -178.1 | -68.5 | -167.6 | -70.3 | 0 | 0 | 112.8 | ||||
| 568 | A | 31.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -149.1 | 92.1 | 152 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 569 | K | 30.6 | Very low | 31.7 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | 9 | 121.2 | 157.9 | -61.5 | 175.2 | 179.2 | 177.5 | 0 | 118.6 | ||||
| 570 | A | 26.7 | Very low | 31.4 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -66.8 | 144.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 571 | T | 31.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -129.4 | 104.6 | 167.8 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | I573 | T571-I573 HydrophobicContact CG2-CG1 4.29Š| ||
| 572 | T | 29.3 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 124.9 | 174.1 | -55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 573 | I | 34 | Very low | 30.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -115.7 | 104.3 | 170.4 | -58.9 | -179.4 | 0 | 0 | 0 | 109.1 | T571 L575 | T571-I573 HydrophobicContact CG2-CG1 4.29Å; I573-L575 HydrophobicContact CG2-CD1 4.48Å; I573-L575 HydrophobicContact CG2-CG 4.42Å | ||
| 574 | P | 29.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | trans | -86.9 | 122.7 | 169.8 | 32.8 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 575 | L | 33.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 148 Ų | 148 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 77.7 | 168.9 | -87.4 | 167.7 | 0 | 0 | 0 | 111.2 | I573 Q577 | I573-L575 HydrophobicContact CG2-CD1 4.48Å; I573-L575 HydrophobicContact CG2-CG 4.42Å; L575-Q577 HydrophobicContact CD2-CG 4.44Å | ||
| 576 | K | 26.6 | Very low | 30 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 128.6 | 142.7 | -83.3 | -175.1 | 174.4 | -177.8 | 0 | 107.2 | ||||
| 577 | Q | 33.1 | Very low | 29.7 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -121 | 114.8 | 150.1 | -78.4 | -173.5 | -18 | 0 | 0 | 107.9 | L575 | L575-Q577 HydrophobicContact CD2-CG 4.44Š| ||
| 578 | Q | 26.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -85.2 | 132.9 | 160.1 | -68.8 | 168.3 | -103.4 | 0 | 0 | 106.7 | ||||
| 579 | Y | 31.3 | Very low | 29.6 | Very low | 204 Ų | 204 | 151.7 Ų | 151.7 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -117.2 | 154.1 | 154.6 | -92.3 | -78.9 | 0 | 0 | 0 | 109.7 | ||||
| 580 | Q | 30.8 | Very low | 29.7 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -93 | 156.6 | -145.7 | -71.7 | 163.7 | -37.9 | 0 | 0 | 114.2 | ||||
| 581 | T | 25.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 150 Ų | 150 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -50.6 | 140.4 | 165.1 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 582 | R | 29.8 | Very low | 29.9 | Very low | 248 Ų | 248 | 148.6 Ų | 148.6 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | -151.9 | 128.3 | 121.8 | -111.8 | 174 | -167.7 | -146 | 1.1 | 111.3 | |||||
| 583 | S | 26.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 142.8 | 170.5 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 584 | L | 31.3 | Very low | 29.9 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -148.5 | 127.4 | 149.6 | -107.3 | 172.7 | 0 | 0 | 0 | 109.3 | ||||
| 585 | S | 25.5 | Very low | 30 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -100.7 | 144 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 586 | Q | 33.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | -174.7 | 128 | 129 | -103.7 | 166.7 | 31.2 | 0 | 0 | 114.1 | |||||
| 587 | N | 26.9 | Very low | 30 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 40.6 | 108.5 | 132 | -70.6 | -4.8 | 0 | 0 | 0 | 122.1 | ||||
| 588 | S | 29.3 | Very low | 29.7 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | 109.3 | 138.9 | 100.3 | 77.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 589 | K | 30 | Very low | 29.8 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 65.6 | 145.8 | 153.4 | -65.8 | 169 | -178.9 | -179.8 | 0 | 117 | ||||
| 590 | T | 32 | Very low | 29.4 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -164.3 | 149.3 | -11.7 | 13.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 591 | N | 29.6 | Very low | 29.6 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 64.8 | 153.9 | 153.5 | -65.3 | -0.4 | 0 | 0 | 0 | 117.6 | ||||
| 592 | S | 34 | Very low | 29.7 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | cis | -168.5 | 149.8 | -12.5 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 593 | N | 32 | Very low | 29.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 65.5 | 150.5 | 158.8 | -56.4 | -17.8 | 0 | 0 | 0 | 116.6 | ||||
| 594 | L | 30.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | cis | -148.5 | 132.6 | -8.3 | -147.3 | 75.6 | 0 | 0 | 0 | 105.6 | ||||
| 595 | S | 30.5 | Very low | 29.5 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 163.6 | 133 | 86.3 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 596 | T | 29 | Very low | 29.7 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | 70.5 | 113.3 | 96.5 | -48.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 597 | I | 30.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | cis | -135.1 | 145.7 | 15.8 | -61.2 | -179.8 | 0 | 0 | 0 | 111.8 | Y599 | I597-Y599 HydrophobicContact CG2-CD2 3.59Å; I597-Y599 HydrophobicContact CG2-CE2 3.85Å | ||
| 598 | H | 26.7 | Very low | 29.8 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | -112.6 | 145.6 | 166.8 | -142.9 | -90.8 | 0 | 0 | 0 | 109 | ||||
| 599 | Y | 28.8 | Very low | 29.8 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | -142.5 | 128.5 | 163.4 | -98.3 | -71.3 | 0 | 0 | 0 | 114.3 | I597 | I597-Y599 HydrophobicContact CG2-CD2 3.59Å; I597-Y599 HydrophobicContact CG2-CE2 3.85Å | ||
| 600 | S | 24.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -140.9 | -148.3 | 163 | -50.4 | 0 | 0 | 0 | 0 | 104 | ||||
| 601 | P | 34.4 | Very low | 29.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | cis | -131.1 | -150.1 | -31 | 21.5 | 5.3 | 0 | 0 | 0 | 110.8 | ||||
| 602 | V | 28.5 | Very low | 29.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 89.3 | 154.5 | 151 | -172.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 603 | I | 26.7 | Very low | 29.4 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 138.8 | -170.3 | -58.8 | 158.4 | 0 | 0 | 0 | 108.5 | ||||
| 604 | R | 27.7 | Very low | 29.3 | Very low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 75% | 0.753 | S | S | * | * | trans | -178.7 | -170.3 | 141.4 | -101.2 | 165.2 | -178 | 174.4 | 0.9 | 112.9 | ||||
| 605 | S | 28.6 | Very low | 29.5 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -145.6 | 166.8 | -138.9 | 52.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 606 | N | 28.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | 73.5 | 156.7 | 168.7 | -55.3 | -19.1 | 0 | 0 | 0 | 114.6 | ||||
| 607 | S | 31.3 | Very low | 29.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | cis | -167.6 | 177.3 | -30.8 | -149.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 608 | V | 30.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | cis | -149.6 | -129 | 9.6 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 609 | N | 31 | Very low | 29.9 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -95 | 179.9 | -179.3 | -56.7 | -51.9 | 0 | 0 | 0 | 112 | ||||
| 610 | K | 32 | Very low | 29.9 | Very low | 172 Ų | 172 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -172.7 | 144.6 | 31 | -155.2 | -173.4 | -172.9 | -171.3 | 0 | 113.8 | ||||
| 611 | M | 27.1 | Very low | 30.3 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 149.8 | 153.2 | -83.8 | 160.4 | 169.8 | 0 | 0 | 119.4 | ||||
| 612 | A | 30.3 | Very low | 30 | Very low | 82 Ų | 82 | 157 Ų | 157 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | cis | -154.4 | 170.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 613 | M | 27.7 | Very low | 30.1 | Very low | 158 Ų | 158 | 158 Ų | 158 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | 15.9 | 141.7 | 149.3 | -51.4 | -93.5 | 104.1 | 0 | 0 | 119.5 | ||||
| 614 | N | 30.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | cis | -165.2 | 151.8 | -2 | -101.6 | -14.4 | 0 | 0 | 0 | 108.3 | ||||
| 615 | D | 33.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | 176.5 | 168 | 110 | -106.5 | -29.3 | 0 | 0 | 0 | 115 | |||||
| 616 | Y | 29.6 | Very low | 30.6 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 144.6 | -171.7 | -91.1 | -111.4 | 0 | 0 | 0 | 114.5 | ||||
| 617 | Q | 33.7 | Very low | 31.1 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | -165.4 | 149.2 | 116.5 | -106.8 | 179 | 40.1 | 0 | 0 | 113.5 | |||||
| 618 | T | 28.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 154.7 Ų | 154.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -92.1 | 138.7 | -175.7 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 619 | S | 33.3 | Very low | 31.1 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -142.4 | 150.5 | 160.9 | -166 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 620 | K | 29.8 | Very low | 31.2 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -87.9 | 125.9 | -170.4 | -56.9 | 163 | -175.4 | 167.2 | 0 | 110.7 | ||||
| 621 | R | 32.4 | Very low | 31.2 | Very low | 228 Ų | 228 | 160.3 Ų | 160.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -138.5 | 102.7 | 157.9 | -72.8 | -166.7 | 174.6 | 156 | 2.3 | 112.3 | ||||
| 622 | Y | 28.3 | Very low | 31.3 | Very low | 228 Ų | 228 | 159.3 Ų | 159.3 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -63.3 | 135 | 148.4 | -76.5 | -101.5 | 0 | 0 | 0 | 107.8 | ||||
| 623 | L | 31.3 | Very low | 31.5 | Very low | 153 Ų | 153 | 164.6 Ų | 164.6 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | -124.1 | 107.9 | 166.3 | -87.2 | 169.5 | 0 | 0 | 0 | 109.1 | I625 | L623-I625 PolarHBondContact O-N 2.94Š| ||
| 624 | T | 28.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 165.3 Ų | 165.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -69.6 | 119.6 | 176.3 | -44.8 | 0 | 0 | 0 | 0 | 109.3 | T626 | T624-T626 PolarHBondContact O-N 3.5Š| ||
| 625 | I | 33.8 | Very low | 31.6 | Very low | 159 Ų | 159 | 167.5 Ų | 167.5 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -87.9 | 103.1 | 170.6 | -60.3 | 179.3 | 0 | 0 | 0 | 108.2 | L623 P627 | L623-I625 PolarHBondContact O-N 2.94Å; I625-P627 WeakPolarHBondContact O-CD 3.16Å | ||
| 626 | T | 30.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 164.6 Ų | 164.6 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 123.1 | 177.6 | -31.8 | 0 | 0 | 0 | 0 | 110.4 | T624 | T624-T626 PolarHBondContact O-N 3.5Š|
| 627 | P | 39.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 165 Ų | 165 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 131.7 | 163.4 | -12.7 | 29.3 | 0 | 0 | 0 | 109.3 | I625 | I625-P627 WeakPolarHBondContact O-CD 3.16Š|
| 628 | L | 32.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 162.6 Ų | 162.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 161.4 | 174.7 | -82.3 | 163.8 | 0 | 0 | 0 | 112.2 | ||
| 629 | Y | 29.5 | Very low | 31.6 | Very low | 216 Ų | 216 | 162.9 Ų | 162.9 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.9 | -175.5 | -101.7 | -127.6 | 0 | 0 | 0 | 114.3 | ||
| 630 | Y | 32.6 | Very low | 31.5 | Very low | 222 Ų | 222 | 163.4 Ų | 163.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -135 | 142.6 | 139.5 | -96.4 | -86 | 0 | 0 | 0 | 108.6 | ||||
| 631 | P | 33.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 160 Ų | 160 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.3 | -171.2 | -9.6 | 27.7 | 0 | 0 | 0 | 112.8 | ||
| 632 | N | 28.8 | Very low | 31.3 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 124 | 159.6 | -69.3 | -42 | 0 | 0 | 0 | 108.8 | ||
| 633 | Q | 33.1 | Very low | 31.5 | Very low | 194 Ų | 194 | 153 Ų | 153 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 118 | 156.8 | -76.6 | -174.1 | -15.3 | 0 | 0 | 108.6 | ||
| 634 | F | 30.6 | Very low | 31.7 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 143.4 | 168 | -87.6 | -102.8 | 0 | 0 | 0 | 109.8 | ||
| 635 | I | 31.2 | Very low | 32.1 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -110.4 | 108.5 | 148.2 | -63 | 179 | 0 | 0 | 0 | 106.3 | ||||
| 636 | S | 30.6 | Very low | 31.9 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -107.7 | 125.5 | 170.5 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 637 | K | 36.6 | Very low | 31.9 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -125 | 88.9 | 160.4 | -81.8 | -162.8 | 171.8 | -169.9 | 0 | 110.4 | ||||
| 638 | L | 29.3 | Very low | 31.5 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | -66.8 | 153.3 | 129.4 | -95.1 | 67.3 | 0 | 0 | 0 | 107.3 | |||||
| 639 | D | 28.2 | Very low | 31.4 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | cis | -134.5 | 170.7 | -1.1 | -82.1 | -62.9 | 0 | 0 | 0 | 108.9 | ||||
| 640 | V | 30.3 | Very low | 31.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | -176.3 | 121 | 129.8 | 141.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 641 | V | 30.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 54.6 | 127.3 | 149.8 | -178.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 642 | K | 29.2 | Very low | 31.1 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 140.3 | 161.9 | -55.9 | 168.4 | -179.9 | 173.1 | 0 | 110.5 | ||||
| 643 | S | 31.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -150.2 | 89.4 | 159.1 | 43 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 644 | T | 35 | Very low | 31.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 142.6 | 158.2 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | T646 | T644-T646 PolarHBondContact O-N 3.38Å; T644-T646 VanDerWaalsContact O-N 3.09Å | ||
| 645 | P | 36.7 | Very low | 31.2 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 111.2 | 177.6 | 27.4 | -33.4 | 0 | 0 | 0 | 110.5 | ||||
| 646 | T | 30.9 | Very low | 31 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -81.1 | 119.8 | 170.2 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | T644 | T644-T646 PolarHBondContact O-N 3.38Å; T644-T646 VanDerWaalsContact O-N 3.09Å | ||
| 647 | T | 31 | Very low | 31 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -127.8 | 88.4 | 161.2 | -52 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 648 | N | 30.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -161 | 157.4 | 135.4 | -103.1 | -22.5 | 0 | 0 | 0 | 110.6 | ||||
| 649 | Q | 30.3 | Very low | 30.6 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -76 | 143.5 | -174.1 | -56.8 | 160.2 | 0.9 | 0 | 0 | 110.4 | ||||
| 650 | Q | 32.5 | Very low | 30.7 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | -175.5 | 150.3 | 102.7 | -97.3 | 172.7 | 4.7 | 0 | 0 | 113.8 | |||||
| 651 | S | 31.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -20.6 | 141.3 | 174.6 | -47.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 652 | Y | 26.6 | Very low | 30.7 | Very low | 223 Ų | 223 | 137.5 Ų | 137.5 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 139.2 | 154.5 | -82.7 | -107.4 | 0 | 0 | 0 | 111.4 | ||||
| 653 | S | 33.1 | Very low | 30.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -149.9 | 76.3 | 146.5 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 654 | N | 29.5 | Very low | 30.8 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 55.8 | 138.6 | 137.3 | -80.9 | -1.3 | 0 | 0 | 0 | 124.3 | ||||
| 655 | L | 30.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | 70.8 | 114 | 152.6 | -85.8 | 80.2 | 0 | 0 | 0 | 120.7 | ||||
| 656 | N | 26.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 134 Ų | 134 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | 43.5 | 131.7 | 116.1 | -47.6 | -4.2 | 0 | 0 | 0 | 118.2 | |||||
| 657 | Y | 30.7 | Very low | 30 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | -164.4 | 145.3 | 65.4 | -101.5 | -80.5 | 0 | 0 | 0 | 115.3 | |||||
| 658 | T | 30.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | 24.2 | 116.2 | 150.7 | 50 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 659 | T | 27.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | 68.4 | 164.6 | 106 | -40.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 660 | T | 31 | Very low | 30.1 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | trans | 77.3 | 100.7 | 161.3 | 23.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 661 | T | 29.4 | Very low | 30 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 77.4 | 150.1 | 87.7 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 662 | A | 31.3 | Very low | 30 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 72% | 0.72 | S | S | * | * | cis | -175.4 | 170.4 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 663 | T | 29.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | trans | 62.2 | 165.5 | 159.9 | 41 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 664 | T | 31.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | cis | -147.3 | 146.2 | -3.8 | -8.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 665 | T | 28.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | 21 | 156.4 | 134.6 | -47.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 666 | T | 31.3 | Very low | 31 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | 96.8 | 106.3 | 167.1 | -34.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 667 | T | 27.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | 73.8 | 148.5 | 56.8 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 668 | I | 33 | Very low | 31.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | 74.5 | 144.3 | -177.8 | -50.2 | 177.5 | 0 | 0 | 0 | 113.1 | ||||
| 669 | N | 29.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | cis | -175.7 | 162.8 | -38.7 | -150.2 | -5.5 | 0 | 0 | 0 | 105.8 | ||||
| 670 | T | 30.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | 61.1 | 158.2 | 159.3 | 59.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 671 | T | 30.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | cis | -164.4 | 157.6 | -16.3 | 22.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 672 | N | 31.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | 68.6 | 157 | 147 | -69.2 | -26 | 0 | 0 | 0 | 117.8 | ||||
| 673 | R | 33.3 | Very low | 33 | Very low | 210 Ų | 210 | 133.8 Ų | 133.8 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | cis | -157.9 | 137.8 | -5.4 | -128.4 | 173.4 | -179.3 | 179.7 | -1.3 | 112.7 | ||||
| 674 | S | 34.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 68.2 | 160.1 | 136.7 | 76.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 675 | K | 36.3 | Very low | 33.4 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | cis | -124.6 | -72.8 | 16.2 | -68.4 | 179.2 | 175.8 | 179.2 | 0 | 117.4 | ||||
| 676 | S | 36.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -158.2 | 158.2 | -139.3 | 48 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 677 | S | 37.3 | Very low | 33.7 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | cis | -172.1 | -162.6 | -11.1 | 56.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 678 | N | 36.3 | Very low | 33.8 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | cis | -163.5 | 173.1 | -2.4 | -124.3 | 4.1 | 0 | 0 | 0 | 105.4 | ||||
| 679 | S | 36 | Very low | 33.7 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | cis | -173.1 | 147.8 | -20.4 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 680 | Q | 35.6 | Very low | 33.7 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | 66.5 | 147.9 | 163.2 | -63 | 174.1 | 23 | 0 | 0 | 117.1 | ||||
| 681 | S | 35.3 | Very low | 33.8 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -161 | -163.7 | -17.4 | 61.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 682 | R | 34.7 | Very low | 33.7 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | cis | -170 | 154.6 | -7.8 | -121.7 | 161.5 | -177.5 | 169.8 | -0.8 | 102.6 | ||||
| 683 | L | 34.4 | Very low | 33.5 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -141.9 | 155.7 | 5.5 | -89.5 | 177.3 | 0 | 0 | 0 | 107.3 | ||||
| 684 | S | 33.6 | Very low | 33.1 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | 60 | 129.5 | 81.1 | 111.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 685 | K | 34.6 | Very low | 32.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -142.5 | 137.5 | 18.3 | -64.3 | -175.3 | -179.6 | 169.6 | 0 | 111.2 | ||||
| 686 | Q | 32.8 | Very low | 32.5 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 64.1 | 141.2 | 98.9 | -59 | 171.2 | -46.2 | 0 | 0 | 115.9 | |||||
| 687 | S | 33.9 | Very low | 32 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -159.3 | 145.2 | 2.7 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 688 | N | 29.5 | Very low | 31.7 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 34.4 | 126.3 | 140.7 | -61.5 | -14 | 0 | 0 | 0 | 122.2 | ||||
| 689 | R | 31.5 | Very low | 31.1 | Very low | 236 Ų | 236 | 145.5 Ų | 145.5 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | -163.7 | 157.3 | 103.8 | -103.2 | 174 | -161.6 | -166.5 | 9.5 | 112.9 | |||||
| 690 | N | 29.5 | Very low | 30.8 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -89.6 | 145.2 | -175.8 | -62.6 | -28 | 0 | 0 | 0 | 112.9 | ||||
| 691 | S | 32.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -164 | 118.5 | 141.3 | 59.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 692 | N | 28.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -3.4 | 136.2 | 153.1 | -83.7 | -47.9 | 0 | 0 | 0 | 122.1 | ||||
| 693 | R | 27 | Very low | 29.6 | Very low | 209 Ų | 209 | 144 Ų | 144 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | 73 | 140.4 | 127 | -68 | 176.6 | -177.8 | -171.1 | -3.1 | 122.5 | |||||
| 694 | N | 26.5 | Very low | 29.3 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 77.3 | 128.2 | 144 | -65.4 | 0.3 | 0 | 0 | 0 | 121.6 | ||||
| 695 | S | 26.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 46.5 | 111.4 | 143.9 | 63.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 696 | R | 30.2 | Very low | 28.4 | Very low | 234 Ų | 234 | 150.4 Ų | 150.4 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -103.6 | 92.7 | 156.2 | -89.8 | -172.9 | 170 | 170.4 | -1.9 | 112 | T698 | R696-T698 HydrophobicContact CB-CG2 4.07Å; R696-T698 HydrophobicContact CG-CG2 3.91Å | ||
| 697 | I | 26.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 52% | 0.523 | 74% | 0.738 | S | S | . | * | trans | -78 | 128.4 | 137.8 | -64.4 | 170.1 | 0 | 0 | 0 | 105.2 | K932 I936 | I697-K932 HydrophobicContact CD1-CD 4.31Å; I697-I936 HydrophobicContact CG2-CD1 4.29Å | ||
| 698 | T | 30.7 | Very low | 27.8 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -128.9 | 94.1 | 176.2 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | R696 | R696-T698 HydrophobicContact CB-CG2 4.07Å; R696-T698 HydrophobicContact CG-CG2 3.91Å | ||
| 699 | T | 25 | Very low | 27.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 63% | 0.632 | 74% | 0.742 | S | S | * | * | trans | -88.5 | 113.6 | 161.1 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | I936 | T699-I936 HydrophobicContact CG2-CD1 4.3Å; T699-I936 HydrophobicContact CG2-CG1 4.41Å; T699-I936 HydrophobicContact CG2-CG2 4.01Å | ||
| 700 | S | 28.5 | Very low | 27.7 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -153.8 | 111.3 | 170.7 | 47.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 701 | N | 25.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 56% | 0.561 | 73% | 0.733 | S | S | * | * | 39.4 | 96 | 60.9 | -72.1 | -2.2 | 0 | 0 | 0 | 111.6 | |||||
| 702 | Y | 26.7 | Very low | 27.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | 168.2 | 153.5 | 103.7 | -99.1 | -68.2 | 0 | 0 | 0 | 114.9 | |||||
| 703 | Y | 27.5 | Very low | 27.6 | Very low | 161 Ų | 161 | 141 Ų | 141 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | trans | 78.3 | 121.7 | 142.6 | -69.6 | -43 | 0 | 0 | 0 | 125.4 | ||||
| 704 | Y | 28.1 | Very low | 27.8 | Very low | 206 Ų | 206 | 136 Ų | 136 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | 88.3 | 159.4 | 129.8 | -75.6 | -50 | 0 | 0 | 0 | 123.8 | |||||
| 705 | Y | 25.4 | Very low | 28 | Very low | 208 Ų | 208 | 135 Ų | 135 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -104.3 | 157.4 | -165.7 | -111.3 | -112.5 | 0 | 0 | 0 | 110.4 | ||||
| 706 | T | 24.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 9.4 | 145.3 | 148.8 | 59.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 707 | A | 27.1 | Very low | 28 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | 115.1 | 116.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 708 | N | 26.5 | Very low | 28.1 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 92% | 0.92 | 75% | 0.749 | S | S | * | * | trans | 22.2 | 138.8 | 147.7 | -56.5 | 0.9 | 0 | 0 | 0 | 121.8 | ||||
| 709 | G | 30.7 | Very low | 28.1 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | 134.4 | 91.8 | -175 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 710 | I | 28.3 | Very low | 28.2 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | 49.1 | 89.8 | 63 | -46.9 | 178.6 | 0 | 0 | 0 | 109.9 | |||||
| 711 | D | 31 | Very low | 28.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | -161.4 | 174.9 | 102.4 | -129.7 | -41.2 | 0 | 0 | 0 | 113.5 | |||||
| 712 | N | 26.8 | Very low | 28.4 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -102.8 | 144.5 | -158.9 | -65.4 | -87.2 | 0 | 0 | 0 | 115.6 | ||||
| 713 | S | 31.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 164.8 | 146.4 | 137.8 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 714 | S | 30.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -160.8 | 156 | -20.4 | -87.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 715 | S | 30.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 68.6 | 138.9 | 166.9 | -56.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 716 | S | 28.9 | Very low | 28.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -167.7 | 126.2 | -11.1 | 47.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 717 | L | 27.1 | Very low | 28.8 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | trans | -149.6 | 138.8 | 143 | -105.9 | 175.8 | 0 | 0 | 0 | 108.7 | ||||
| 718 | L | 28.6 | Very low | 28.9 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -90.9 | 164.2 | 179.2 | -65 | 164.3 | 0 | 0 | 0 | 108.9 | ||||
| 719 | L | 30.1 | Very low | 29 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | cis | -153.2 | 166.8 | 12.8 | -136 | 149.6 | 0 | 0 | 0 | 110.5 | ||||
| 720 | L | 26.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | trans | -69.8 | 179.8 | 167.3 | -99 | 74.5 | 0 | 0 | 0 | 111.9 | ||||
| 721 | P | 33.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -129.4 | 176.6 | 25.5 | 17.9 | 10.1 | 0 | 0 | 0 | 115.6 | ||||
| 722 | N | 26.9 | Very low | 29 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 55% | 0.551 | 76% | 0.757 | S | S | * | * | cis | 110.5 | 139.5 | 14.6 | -159 | 15.8 | 0 | 0 | 0 | 113.5 | ||||
| 723 | Y | 30.9 | Very low | 29.2 | Very low | 208 Ų | 208 | 136 Ų | 136 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 63 | 159.1 | -173.9 | -53.1 | -74.8 | 0 | 0 | 0 | 115.9 | ||||
| 724 | G | 26.1 | Very low | 29.3 | Very low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | cis | 123.9 | 121.2 | -4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 725 | N | 27.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | 63.8 | 168.1 | -170.1 | -54.7 | -20.8 | 0 | 0 | 0 | 111.8 | ||||
| 726 | S | 28.3 | Very low | 29.3 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | cis | -170 | 146.2 | -17.5 | 35.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 727 | Y | 27.6 | Very low | 29.6 | Very low | 205 Ų | 205 | 140 Ų | 140 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 55.9 | 133 | 153.3 | -81.9 | -113.4 | 0 | 0 | 0 | 120.4 | ||||
| 728 | E | 28.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 63.5 | 159.9 | 138.9 | -69.6 | -168.8 | 130.3 | 0 | 0 | 120.6 | ||||
| 729 | N | 27.6 | Very low | 29.9 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -168.3 | -167.4 | -40 | -125.6 | -30.8 | 0 | 0 | 0 | 105.7 | ||||
| 730 | I | 29.8 | Very low | 30 | Very low | 149 Ų | 149 | 139 Ų | 139 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 68.4 | 94.9 | 165 | -44.2 | -175.2 | 0 | 0 | 0 | 113.9 | ||||
| 731 | M | 27.9 | Very low | 30.1 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | 65.9 | 132.6 | 63.6 | -63.8 | -163.7 | 174.9 | 0 | 0 | 117 | |||||
| 732 | V | 32.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | trans | 175.3 | 104.1 | 135.6 | 148 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 733 | N | 30.9 | Very low | 30 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | 64.2 | 138.5 | 85.3 | -67.7 | -29.6 | 0 | 0 | 0 | 112.8 | |||||
| 734 | S | 33.8 | Very low | 30.3 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | cis | -148.6 | 144.6 | 30.1 | -42.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 735 | Q | 32.2 | Very low | 30.6 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | 66.2 | 143.1 | 97.1 | -58.9 | 178.4 | 23.1 | 0 | 0 | 115.7 | |||||
| 736 | K | 31.2 | Very low | 30.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | cis | -154.3 | 169.6 | 7.2 | -122.5 | 167.5 | 179.5 | -179.5 | 0 | 110.5 | ||||
| 737 | P | 33.9 | Very low | 30.9 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -104.3 | -171.3 | -173.5 | 42.4 | -34.5 | 0 | 0 | 0 | 113.3 | ||||
| 738 | I | 32.3 | Very low | 31 | Very low | 164 Ų | 164 | 142 Ų | 142 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | trans | -164.7 | 143.1 | 138.5 | -101.3 | 152 | 0 | 0 | 0 | 110.8 | ||||
| 739 | D | 29.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -86.6 | 169.5 | 178.4 | -53.9 | -87.6 | 0 | 0 | 0 | 113.4 | ||||
| 740 | L | 33.4 | Very low | 31.2 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | -179.3 | 156.1 | 107.1 | -95.4 | 168.6 | 0 | 0 | 0 | 114.2 | |||||
| 741 | N | 27.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | trans | -79.5 | 160.7 | 176.7 | -65.8 | -66 | 0 | 0 | 0 | 112.2 | ||||
| 742 | Y | 30.4 | Very low | 31.3 | Very low | 232 Ų | 232 | 145.7 Ų | 145.7 | 91% | 0.91 | 76% | 0.755 | S | S | * | * | -167.5 | 172.6 | 104.6 | -117.6 | -96 | 0 | 0 | 0 | 112.2 | |||||
| 743 | S | 28.4 | Very low | 31.4 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -132.5 | -156.8 | -171.3 | -158.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 744 | P | 37.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | -122.2 | 167.9 | -104.5 | 40.8 | -26.4 | 0 | 0 | 0 | 115.5 | |||||
| 745 | Q | 30.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -177.8 | 161.8 | 161.5 | -99.9 | 157.9 | 24.4 | 0 | 0 | 107.5 | ||||
| 746 | H | 31.6 | Very low | 31.9 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -165.3 | 178.8 | -37.1 | -147.7 | -105.9 | 0 | 0 | 0 | 107 | ||||
| 747 | D | 31.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 101.1 | 156 | -63.9 | -47.6 | 0 | 0 | 0 | 123.6 | ||||
| 748 | N | 29.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 50 | 116.6 | 104.8 | -65.4 | -51.5 | 0 | 0 | 0 | 121 | |||||
| 749 | R | 31.1 | Very low | 31.8 | Very low | 252 Ų | 252 | 148.2 Ų | 148.2 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | -162.3 | 152.3 | 123.6 | -112.5 | 169.9 | -172.9 | -170.8 | 2.3 | 114.1 | |||||
| 750 | C | 28.3 | Very low | 32 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -116 | 178.3 | -173.6 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 751 | K | 32.9 | Very low | 32.1 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 117.9 | 147.9 | 159.3 | -68.2 | 173.9 | -179.3 | -172.3 | 0 | 114.7 | ||||
| 752 | S | 28.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | 169.1 | 115.6 | -41.5 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 753 | S | 34.3 | Very low | 32.8 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -179.5 | 108.8 | 160.1 | 51.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 754 | Q | 33.2 | Very low | 33.1 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | 16.3 | 161.1 | 121.8 | -60.8 | -74.8 | -31.4 | 0 | 0 | 121 | |||||
| 755 | P | 38.6 | Very low | 32.9 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | cis | -145.1 | -154.2 | -49.9 | 40.1 | -18.6 | 0 | 0 | 0 | 114.6 | ||||
| 756 | E | 33.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 104.3 | 114 | 156.9 | -55.3 | -141.7 | 136.1 | 0 | 0 | 122.6 | ||||
| 757 | N | 30.5 | Very low | 33.3 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | 52.5 | 137.2 | 128.5 | -50.3 | -34.9 | 0 | 0 | 0 | 121.3 | |||||
| 758 | L | 33.5 | Very low | 33.3 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | -165.1 | 142.2 | 59 | -100.5 | 97.5 | 0 | 0 | 0 | 114 | |||||
| 759 | F | 31.9 | Very low | 33.4 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | trans | 50.7 | 133.4 | 148.7 | -68.5 | -107 | 0 | 0 | 0 | 121.4 | ||||
| 760 | L | 33.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | cis | 77.9 | 138.9 | 47.8 | -66.8 | 164.7 | 0 | 0 | 0 | 112.9 | ||||
| 761 | D | 35.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | -117.7 | 140.2 | 55.4 | -69.2 | -36.8 | 0 | 0 | 0 | 116.3 | |||||
| 762 | H | 36.9 | Very low | 33.5 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 40% | 0.403 | 72% | 0.715 | S | S | . | * | 66.1 | 137.9 | 78.6 | -70.2 | -89.7 | 0 | 0 | 0 | 114 | Y764 | H762-Y764 AromaticContact CE1-CZ 3.9Å; H762-Y764 PolarHBondContact CE1-OH 3.29Å; H762-Y764 AromaticContact ND1-CE2 3.87Å; H762-Y764 AromaticContact ND1-CZ 3.81Å | |||
| 763 | E | 35.2 | Very low | 33.7 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | cis | -161.3 | 167 | 10.5 | -125 | 150 | -139.8 | 0 | 0 | 107.6 | ||||
| 764 | Y | 35.2 | Very low | 33.6 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | cis | -178.2 | -151.4 | -21.5 | -103.6 | -165.1 | 0 | 0 | 0 | 106.2 | H762 | H762-Y764 AromaticContact CE1-CZ 3.9Å; H762-Y764 PolarHBondContact CE1-OH 3.29Å; H762-Y764 AromaticContact ND1-CE2 3.87Å; H762-Y764 AromaticContact ND1-CZ 3.81Å | ||
| 765 | E | 33.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | -172.1 | 153.4 | -79.6 | -173.1 | 179.1 | -109.9 | 0 | 0 | 109.1 | |||||
| 766 | Y | 35 | Very low | 33.1 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | 161.8 | 132 | 148.2 | -104.8 | -135.5 | 0 | 0 | 0 | 108.7 | ||||
| 767 | L | 36.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | cis | -136.4 | 140.7 | -0.5 | -78.6 | 162.2 | 0 | 0 | 0 | 107.5 | ||||
| 768 | Q | 30.9 | Very low | 33 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | 49.7 | 130 | 81.6 | -56.6 | -175.6 | 8.8 | 0 | 0 | 114.5 | |||||
| 769 | G | 30.9 | Very low | 32.9 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | cis | -159.1 | -167.1 | -4.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 770 | I | 34.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | cis | -148.4 | 157.4 | 11.1 | -67 | 173.6 | 0 | 0 | 0 | 107.9 | ||||
| 771 | N | 29.4 | Very low | 32.8 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -88.5 | 151.7 | -179.3 | -58.2 | -52.6 | 0 | 0 | 0 | 114.6 | ||||
| 772 | N | 31.2 | Very low | 32.4 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | -176 | 141.1 | 115.1 | -96 | -12.6 | 0 | 0 | 0 | 113.1 | |||||
| 773 | P | 33.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -104.5 | 156.4 | 171.3 | 38.7 | -31.9 | 0 | 0 | 0 | 113.1 | ||||
| 774 | Y | 32.2 | Very low | 31.9 | Very low | 232 Ų | 232 | 146.7 Ų | 146.7 | 91% | 0.91 | 74% | 0.74 | S | S | * | * | trans | -145.5 | 149.2 | 158.3 | -94.5 | -80.9 | 0 | 0 | 0 | 110.6 | ||||
| 775 | E | 26.9 | Very low | 31.5 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -93.5 | 146 | 172.7 | -55 | 172.4 | 124.5 | 0 | 0 | 109.7 | ||||
| 776 | E | 33 | Very low | 31.3 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -156.9 | -178.3 | 133.8 | -125.4 | 179.6 | 163.4 | 0 | 0 | 112.3 | ||||
| 777 | N | 27.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -116.9 | -179.8 | -152 | -71.8 | -84.5 | 0 | 0 | 0 | 114.7 | ||||
| 778 | D | 34.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | trans | 89.4 | 117.1 | 141.4 | -87.3 | -20.6 | 0 | 0 | 0 | 121.4 | ||||
| 779 | K | 33.2 | Very low | 30.4 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 70% | 0.7 | 76% | 0.76 | S | S | * | * | 74.7 | 153 | 125.4 | -69.8 | 170.9 | -172.5 | 140.6 | 0 | 119.1 | |||||
| 780 | I | 30.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 68% | 0.677 | 76% | 0.76 | S | S | * | * | cis | -164.7 | 166.1 | -26.2 | -122.1 | 175.4 | 0 | 0 | 0 | 107.2 | ||||
| 781 | D | 31.9 | Very low | 29.9 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 64.1 | 165.1 | 166.5 | -75.7 | -20.1 | 0 | 0 | 0 | 118.6 | ||||
| 782 | S | 28 | Very low | 29.8 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | -166.3 | -165 | -36.7 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 783 | I | 33.4 | Very low | 29.7 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | 72.9 | 108.8 | 176.2 | -48.3 | 168.9 | 0 | 0 | 0 | 113.6 | ||||
| 784 | N | 27.8 | Very low | 29.3 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | 87 | 118.3 | 37.9 | -77 | -29.8 | 0 | 0 | 0 | 117.9 | ||||
| 785 | N | 26.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | 82.9 | 151.4 | 140 | -68.3 | -25.9 | 0 | 0 | 0 | 122.6 | ||||
| 786 | S | 29.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | 83.6 | 131.2 | 169 | -38.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 787 | S | 29.8 | Very low | 28.9 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | cis | -156.1 | 133.7 | -12.5 | -87.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 788 | Q | 25 | Very low | 28.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | 57.9 | 160.3 | 99.9 | -88.5 | -165.1 | -4.3 | 0 | 0 | 117.7 | |||||
| 789 | Y | 28.7 | Very low | 28.5 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | trans | 73.2 | 129 | -171 | -47.7 | -69.9 | 0 | 0 | 0 | 114.4 | ||||
| 790 | F | 28.4 | Very low | 28.6 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.772 | 71% | 0.711 | S | S | * | * | cis | -129.2 | 145.6 | -15.3 | -87.7 | -90.1 | 0 | 0 | 0 | 107.1 | ||||
| 791 | L | 26.3 | Very low | 28.6 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | cis | 61.8 | 86 | 49.4 | -94.9 | 168.8 | 0 | 0 | 0 | 115.8 | ||||
| 792 | N | 27 | Very low | 28.5 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | 170.2 | 159.5 | 113.7 | -85.2 | -35.5 | 0 | 0 | 0 | 113.9 | |||||
| 793 | N | 28.5 | Very low | 28.5 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 61 | 92.8 | 170.9 | -57.9 | -27.7 | 0 | 0 | 0 | 115 | ||||
| 794 | E | 26.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | cis | 58.3 | 153.1 | 49.1 | -68.3 | -144.7 | 137.5 | 0 | 0 | 117.1 | ||||
| 795 | K | 29.5 | Very low | 28.6 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | trans | 78.6 | 98.3 | 168.9 | -66.5 | 156.1 | -168 | 171.2 | 0 | 115.4 | ||||
| 796 | Y | 27.4 | Very low | 28.7 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | 63.7 | 112.5 | 76.7 | -78.9 | -76 | 0 | 0 | 0 | 113.7 | |||||
| 797 | C | 26.4 | Very low | 28.5 | Very low | 49 Ų | 49 | 142.8 Ų | 142.8 | 33% | 0.331 | 71% | 0.713 | S | S | . | * | trans | -154.6 | 81.6 | 146.8 | -144.3 | 0 | 0 | 0 | 0 | 109.4 | Y962 Q966 | C797-Y962 PolarHBondContact O-OH 3.46Å; C797-Q966 HydrophobicContact CB-CG 4.13Å | ||
| 798 | S | 24.8 | Very low | 28.4 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | trans | -111.8 | 158.2 | 165.1 | -68.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 799 | T | 28.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | trans | 67.4 | 175.4 | 173 | 81.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 800 | P | 36.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | cis | -134.2 | 176.7 | 2.1 | 40.5 | -22.1 | 0 | 0 | 0 | 117.8 | ||||
| 801 | N | 29.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | 53.8 | 116 | 150.6 | -62.3 | 2.3 | 0 | 0 | 0 | 121.7 | Q803 | N801-Q803 PolarHBondContact ND2-OE1 2.73Š| ||
| 802 | I | 29.9 | Very low | 29 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 89% | 0.892 | 72% | 0.717 | S | S | * | * | -121 | 131.6 | 105.6 | -69.6 | -177.7 | 0 | 0 | 0 | 107 | |||||
| 803 | Q | 29.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 62% | 0.621 | 72% | 0.715 | S | S | * | * | trans | -94.1 | 173.2 | 170.7 | -53.3 | 146.3 | -115.5 | 0 | 0 | 108.2 | N801 | N801-Q803 PolarHBondContact ND2-OE1 2.73Š| ||
| 804 | E | 30.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | cis | -139.6 | -163.7 | 9.7 | -53.5 | 173.4 | -156.4 | 0 | 0 | 107.9 | ||||
| 805 | H | 30.5 | Very low | 29.4 | Very low | 141 Ų | 141 | 140 Ų | 140 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | cis | -150.2 | 134.5 | -4.1 | -174.5 | -94.2 | 0 | 0 | 0 | 109.9 | ||||
| 806 | L | 29.8 | Very low | 29.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | trans | 167 | 138.4 | 143.7 | -93.2 | 163.1 | 0 | 0 | 0 | 109.1 | ||||
| 807 | F | 26 | Very low | 29.3 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | trans | -132.5 | 169.9 | -169.7 | -124.4 | -93.7 | 0 | 0 | 0 | 110.4 | ||||
| 808 | N | 27 | Very low | 29.4 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 74.9 | 141.6 | 176.6 | -50.2 | -10.6 | 0 | 0 | 0 | 113.9 | ||||
| 809 | D | 31.3 | Very low | 29.5 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | cis | -136.4 | 157.1 | 17.2 | -110.3 | -47.7 | 0 | 0 | 0 | 116.8 | ||||
| 810 | M | 31.2 | Very low | 29.4 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | trans | 43.7 | 115.4 | 158.8 | -63.8 | -155.8 | -69.4 | 0 | 0 | 123.1 | ||||
| 811 | N | 25.9 | Very low | 29.1 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -71 | 156.2 | 135 | -75.6 | -72 | 0 | 0 | 0 | 110.1 | ||||
| 812 | I | 32.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 154.3 Ų | 154.3 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 178.3 | 126.3 | 132.1 | -96.5 | 155.6 | 0 | 0 | 0 | 112.2 | ||||
| 813 | H | 31.8 | Very low | 29 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | 62.4 | 160.3 | 153.6 | -76.7 | 19.6 | 0 | 0 | 0 | 119.7 | ||||
| 814 | K | 31.4 | Very low | 29 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | cis | -155.9 | 170.2 | -32.3 | -122.6 | 176.9 | -171 | 155.8 | 0 | 109.8 | ||||
| 815 | T | 27.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | trans | -51.6 | 153.8 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 816 | N | 26.5 | Very low | 28.8 | Very low | 141 Ų | 141 | 150 Ų | 150 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 118 | 144.9 | 137 | -74.3 | -16.6 | 0 | 0 | 0 | 120 | ||||
| 817 | L | 28.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 67.9 | 154 | 158.4 | -64.5 | 153.1 | 0 | 0 | 0 | 117.5 | ||||
| 818 | Y | 27.5 | Very low | 29 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | cis | -161.4 | -165.7 | -39.9 | -141 | -123.8 | 0 | 0 | 0 | 108.3 | ||||
| 819 | K | 28.3 | Very low | 29.2 | Very low | 166 Ų | 166 | 144 Ų | 144 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -61.9 | 150.7 | -177.6 | -72.9 | 179.9 | 175.8 | 178 | 0 | 115.9 | ||||
| 820 | N | 26.5 | Very low | 29.1 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 59 | 127.4 | 145.9 | -61.1 | 3 | 0 | 0 | 0 | 120.8 | ||||
| 821 | E | 28.5 | Very low | 28.9 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | -153 | 169.7 | 123.4 | -123.8 | 165 | -149.6 | 0 | 0 | 111.5 | |||||
| 822 | I | 29.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 140 Ų | 140 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | trans | -147.5 | 160.7 | -155.5 | -93.5 | 174.8 | 0 | 0 | 0 | 111.6 | ||||
| 823 | L | 28 | Very low | 29.1 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | trans | 88.7 | 113.1 | 169 | -76.2 | 156.5 | 0 | 0 | 0 | 120.6 | ||||
| 824 | K | 29.6 | Very low | 29.1 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | 34.3 | 139.5 | 130.5 | -64.6 | 178.8 | -170.4 | 175 | 0 | 122.5 | ||||
| 825 | V | 27.7 | Very low | 29.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | trans | -123.5 | 145.7 | 135.2 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 826 | S | 29.8 | Very low | 29.4 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | -164.4 | 155.1 | -167.3 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 827 | S | 28.9 | Very low | 29.6 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | cis | -170.3 | 144.1 | -12.7 | 48 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 828 | S | 30.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -152.3 | 138.9 | -173.5 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 829 | T | 31.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | cis | -159.4 | 143.2 | -3.5 | -3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 830 | T | 29.2 | Very low | 29.9 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 31.1 | 106.3 | 144.3 | 53 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 831 | T | 26.9 | Very low | 30 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | 47 | 129.9 | 118.3 | 60 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 832 | T | 31.4 | Very low | 29.9 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -159.4 | 117.2 | 130.1 | 11 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 833 | T | 31.3 | Very low | 29.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | 62.1 | 136 | 100.3 | 63 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 834 | T | 32.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 64% | 0.638 | 74% | 0.738 | S | S | * | * | cis | -165.8 | 153.1 | -0.1 | 9.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 835 | E | 30.5 | Very low | 29.7 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 63.8 | 162.6 | 145.3 | -67.6 | 172.6 | 166.9 | 0 | 0 | 119.4 | ||||
| 836 | L | 33.6 | Very low | 29.9 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | cis | -136.9 | 162.1 | 10.6 | -122 | 125.9 | 0 | 0 | 0 | 112.8 | ||||
| 837 | S | 31 | Very low | 29.8 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | trans | -17.9 | 145.3 | 165.8 | -55.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 838 | S | 27.5 | Very low | 29.9 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | 72 | 151.3 | 40.1 | 96.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 839 | K | 32.8 | Very low | 29.8 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 85 | 148.9 | -167.9 | -59.3 | 172.9 | -178.2 | 178 | 0 | 113.8 | ||||
| 840 | I | 31.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -159.3 | 164.5 | -5.3 | -111.3 | 160.2 | 0 | 0 | 0 | 105.2 | ||||
| 841 | V | 27.6 | Very low | 29.7 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 62% | 0.624 | 75% | 0.747 | S | S | * | * | cis | 171.9 | 143.2 | -32 | 101.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 842 | Q | 26.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 58.7 | 121.7 | 157.1 | -67.6 | 167 | -10.8 | 0 | 0 | 123.3 | ||||
| 843 | S | 26.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 86.1 | 158.7 | 123 | 78.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 844 | T | 31.2 | Very low | 29.5 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | cis | -134.5 | 169.5 | 15.7 | 48.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 845 | N | 26.1 | Very low | 29.4 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -95.6 | 146.9 | 171.3 | -67.3 | -32.8 | 0 | 0 | 0 | 112.4 | ||||
| 846 | S | 31.6 | Very low | 29.1 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 175.8 | 111.2 | 144.4 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 847 | N | 26.6 | Very low | 28.8 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | 94.1 | 160.4 | 69.1 | -83.6 | -8.4 | 0 | 0 | 0 | 113.3 | |||||
| 848 | I | 31.5 | Very low | 28.6 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | 79.4 | 134.5 | 174.3 | -47.3 | 174 | 0 | 0 | 0 | 115.3 | ||||
| 849 | S | 28.4 | Very low | 28.4 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | cis | 179.7 | 138 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 850 | N | 27.9 | Very low | 28.2 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | 33.8 | 127.5 | 151.4 | -57.1 | -9.4 | 0 | 0 | 0 | 121 | ||||
| 851 | N | 31.4 | Very low | 27.9 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | -151.2 | 148.2 | 109.4 | -109.7 | -46.7 | 0 | 0 | 0 | 112.8 | |||||
| 852 | I | 28.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -120.4 | 147.2 | -166.8 | -67.8 | 161.6 | 0 | 0 | 0 | 109.8 | ||||
| 853 | K | 30.4 | Very low | 28 | Very low | 201 Ų | 201 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -170.2 | 139 | 135.5 | -105.2 | 156.4 | -171.6 | 179.5 | 0 | 113.9 | ||||
| 854 | E | 26.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | trans | -93.5 | 167.3 | -179.5 | -42.1 | 109.3 | 111.8 | 0 | 0 | 113.3 | I856 | E854-I856 HydrophobicContact CB-CD1 4.36Å; E854-I856 HydrophobicContact CB-CG1 4.47Å | ||
| 855 | T | 29.6 | Very low | 27.7 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -174.8 | 121.8 | 137.5 | -66.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 856 | I | 25 | Very low | 27.6 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 64% | 0.641 | 76% | 0.761 | S | S | * | * | cis | 101.5 | 112 | 32 | -69.5 | 177.9 | 0 | 0 | 0 | 112.8 | E854 | E854-I856 HydrophobicContact CB-CD1 4.36Å; E854-I856 HydrophobicContact CB-CG1 4.47Å | ||
| 857 | I | 26.3 | Very low | 27.3 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 57 | 153.5 | 177.1 | 18.5 | 178.5 | 0 | 0 | 0 | 117.2 | ||||
| 858 | E | 26.1 | Very low | 27.4 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -140.6 | 166.1 | 26.3 | -81.7 | -163.1 | 155.1 | 0 | 0 | 115.1 | ||||
| 859 | P | 25 | Very low | 27.2 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -87 | 127.3 | 174 | 34.2 | -32.8 | 0 | 0 | 0 | 113.3 | ||||
| 860 | I | 28.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 65% | 0.646 | 77% | 0.771 | S | S | * | * | trans | -120.4 | 111.2 | -175.4 | -56.4 | -177.5 | 0 | 0 | 0 | 112.8 | Y862 | I860-Y862 HydrophobicContact CG2-CD2 3.58Å; I860-Y862 HydrophobicContact CG2-CE2 3.36Å | ||
| 861 | T | 24 | Very low | 27.1 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -74.8 | 139.6 | 163.4 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 862 | Y | 27.9 | Very low | 27.2 | Very low | 217 Ų | 217 | 152.9 Ų | 152.9 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -131.6 | 157.4 | 160.8 | -91.2 | -62.3 | 0 | 0 | 0 | 114.1 | I860 | I860-Y862 HydrophobicContact CG2-CD2 3.58Å; I860-Y862 HydrophobicContact CG2-CE2 3.36Å | ||
| 863 | K | 28.1 | Very low | 27.1 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -105.6 | 162.5 | -164.5 | -61.3 | 172.4 | -178.2 | 169.3 | 0 | 111.4 | ||||
| 864 | S | 24.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -54.9 | 143 | 162.1 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 865 | V | 27.6 | Very low | 27.3 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -177.2 | 146.9 | 135 | 141 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 866 | D | 24.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -77.5 | 166.2 | 175.1 | -69.6 | -79.2 | 0 | 0 | 0 | 114.1 | ||||
| 867 | Q | 26.2 | Very low | 27.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 73.4 | 130.2 | 170.5 | -43.9 | -176.4 | 17.5 | 0 | 0 | 114.3 | ||||
| 868 | I | 28.6 | Very low | 28.2 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | -155.6 | 153.2 | 72.4 | -90.8 | 164.6 | 0 | 0 | 0 | 111.5 | |||||
| 869 | T | 26.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -97.7 | 158.8 | 175.3 | -40 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 870 | R | 26.1 | Very low | 29 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | 82.5 | 149.9 | 175.4 | -53.1 | 179.1 | -169.2 | 122.7 | -1.2 | 114 | ||||
| 871 | N | 27.6 | Very low | 29.1 | Very low | 128 Ų | 128 | 149 Ų | 149 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | cis | -160.8 | 149.7 | -13.1 | -107.9 | 1.5 | 0 | 0 | 0 | 107.6 | ||||
| 872 | H | 34.1 | Very low | 29.5 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -157.7 | 142.2 | 136.5 | -96.8 | -67.3 | 0 | 0 | 0 | 109.1 | ||||
| 873 | S | 27.7 | Very low | 29.7 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | -148.5 | -179 | -173.8 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 874 | C | 28.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | 77.4 | 141.9 | 176.7 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 875 | H | 31.1 | Very low | 30 | Very low | 186 Ų | 186 | 144 Ų | 144 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | cis | -149.3 | 169 | -3.9 | -104.9 | -4.6 | 0 | 0 | 0 | 108.3 | ||||
| 876 | G | 31.9 | Very low | 30 | Very low | 56 Ų | 56 | 141.5 Ų | 141.5 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | cis | 169.1 | -152.5 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 877 | N | 34.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 73.8 | 139.2 | -177.2 | -61.8 | -37 | 0 | 0 | 0 | 116.4 | ||||
| 878 | R | 33.2 | Very low | 30.7 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | cis | -159.2 | 143.4 | -7.2 | -116.6 | 168 | -166.2 | -168.4 | -2.7 | 113.8 | ||||
| 879 | N | 33.1 | Very low | 30.8 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 81.6 | 141.6 | 141.5 | -67.3 | -4.7 | 0 | 0 | 0 | 124.5 | ||||
| 880 | N | 34.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 77.7 | 112.7 | 163 | -56.8 | -11.7 | 0 | 0 | 0 | 116.9 | ||||
| 881 | K | 32.1 | Very low | 31.2 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | 71.2 | 132.8 | 59.1 | -67.9 | 177.2 | 146.6 | -70.3 | 0 | 111.8 | |||||
| 882 | E | 32.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | cis | -163.5 | -178.7 | -4.5 | -109.9 | 143.2 | -172.6 | 0 | 0 | 106.2 | ||||
| 883 | T | 30.8 | Very low | 31 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | cis | -158.9 | 137.5 | 15.5 | -138.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 884 | I | 29.5 | Very low | 30.9 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | 82.1 | 138.7 | 92.3 | -71.2 | -176.1 | 0 | 0 | 0 | 117.5 | |||||
| 885 | L | 31 | Very low | 30.8 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | 64.1 | 165.2 | 172.4 | -67.2 | 159.8 | 0 | 0 | 0 | 118.6 | ||||
| 886 | S | 27.5 | Very low | 30.6 | Very low | 80 Ų | 80 | 131 Ų | 131 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | -170.6 | -168.6 | -73 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 887 | D | 33 | Very low | 30.4 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | 72.5 | 153.7 | 161.8 | -56 | 5 | 0 | 0 | 0 | 119 | ||||
| 888 | T | 31.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | -162.3 | 161.7 | -61.1 | 39.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 889 | N | 30.1 | Very low | 29.8 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | trans | 67 | 148.6 | 162.9 | -53.4 | -42.8 | 0 | 0 | 0 | 116.4 | ||||
| 890 | S | 32.2 | Very low | 29.5 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | cis | -159.6 | 135.2 | 6.9 | -134 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 891 | T | 28.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | 61.4 | 115.3 | 118.5 | -53.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 892 | K | 28.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 79% | 0.787 | 68% | 0.683 | S | S | * | * | trans | 71.4 | 156.5 | 154.9 | -65.7 | 166.8 | -164.2 | 167.1 | 0 | 116.1 | ||||
| 893 | Q | 30.2 | Very low | 28.5 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | cis | -146.6 | 176.1 | 8.5 | -142.3 | 155 | 3.8 | 0 | 0 | 114.3 | ||||
| 894 | L | 25.6 | Very low | 28.2 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -53.3 | 167.1 | 172.3 | -74.8 | 77.7 | 0 | 0 | 0 | 114.6 | ||||
| 895 | T | 25.9 | Very low | 28 | Very low | 102 Ų | 102 | 131 Ų | 131 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | cis | -167.6 | 168.2 | -11.3 | 25 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 896 | N | 26.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | 60.4 | 153.7 | 149.7 | -66.3 | 0.6 | 0 | 0 | 0 | 119.4 | ||||
| 897 | E | 27.9 | Very low | 27.8 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 37% | 0.374 | 70% | 0.698 | S | S | . | * | cis | 170.2 | 126.3 | -32.2 | -117.2 | -162.5 | 116.9 | 0 | 0 | 106.5 | K1101 | E897-K1101 WeakPolarHBondContact OE1-CD 3.31Å; E897-K1101 WeakPolarHBondContact OE1-CE 3.4Å; E897-K1101 IonicContact OE1-NZ 2.68Å; E897-K1101 VanDerWaalsContact OE2-CD 3.27Å; E897-K1101 WeakPolarHBondContact OE2-CD 3.48Å; E897-K1101 VanDerWaalsContact OE2-CE 3.31Å; E897-K1101 WeakPolarHBondContact OE2-CE 3.43Å; E897-K1101 IonicContact OE2-NZ 3.79Å; E897-K1101 PolarHBondContact OE2-NZ 2.78Å | ||
| 898 | K | 28.6 | Very low | 27.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 48% | 0.478 | 69% | 0.694 | S | S | . | * | trans | 70.1 | 123.9 | 144.3 | -75.1 | -179.5 | 179 | 129.9 | 0 | 121.7 | S1102 | K898-S1102 PolarHBondContact NZ-OG 3.25Š| ||
| 899 | N | 26.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | trans | 102.8 | 148.2 | 134.4 | -67.3 | 6.6 | 0 | 0 | 0 | 120.4 | ||||
| 900 | Y | 26.3 | Very low | 27.2 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | trans | 77.8 | 110.3 | 172.8 | -50.3 | -65.2 | 0 | 0 | 0 | 115.5 | ||||
| 901 | E | 26.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | cis | 70.2 | 85.8 | 36.9 | -161.2 | -175.7 | -131 | 0 | 0 | 113.1 | ||||
| 902 | T | 25.8 | Very low | 27.1 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | trans | 169.9 | 178.1 | 137 | 32.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 903 | S | 26 | Very low | 27.1 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | 69.9 | 113.7 | -174.9 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 904 | F | 24.9 | Very low | 27.1 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | 68.4 | 140.2 | 77.1 | -88.8 | -122.8 | 0 | 0 | 0 | 112.5 | |||||
| 905 | V | 25.8 | Very low | 27.4 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | cis | 178.2 | 148 | -11.6 | 119.1 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 906 | N | 25.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | 38.9 | 105.7 | 164.1 | -63.2 | -19.6 | 0 | 0 | 0 | 120.7 | ||||
| 907 | L | 29 | Very low | 27.7 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | -135.8 | 130.5 | 110.8 | -84.5 | 114.5 | 0 | 0 | 0 | 106.6 | |||||
| 908 | Q | 28 | Very low | 27.9 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | 60.8 | 135.6 | 69.4 | -62.2 | -169 | 23.3 | 0 | 0 | 112.3 | |||||
| 909 | Q | 26.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | cis | -169.9 | 149.1 | -0.7 | -121.1 | -179.9 | 42.1 | 0 | 0 | 110 | ||||
| 910 | N | 26.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | trans | 63.3 | 152.3 | 161.5 | -52.5 | -49.1 | 0 | 0 | 0 | 116.1 | ||||
| 911 | R | 31.6 | Very low | 29 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | cis | -132.7 | 140.3 | 10.3 | -70.7 | 177.8 | 175.5 | 174.1 | -1.1 | 108.5 | ||||
| 912 | R | 27.5 | Very low | 29.5 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | 43.6 | 134.4 | 99.2 | -59 | -176.3 | 179.8 | 170.9 | -0.5 | 114.5 | |||||
| 913 | N | 28.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | cis | -165.9 | 174.8 | 5.6 | -114.2 | 9.6 | 0 | 0 | 0 | 110.9 | ||||
| 914 | N | 29.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | 69.3 | 127 | 164.9 | -57.3 | -8.2 | 0 | 0 | 0 | 115.2 | ||||
| 915 | N | 32.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 67% | 0.671 | S | S | * | * | cis | -157.4 | 153.2 | 35.7 | -94.8 | -44.2 | 0 | 0 | 0 | 115.1 | ||||
| 916 | N | 31.5 | Very low | 32.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | trans | 60.5 | 93.5 | 146.1 | -146 | 8.8 | 0 | 0 | 0 | 121.3 | Q918 | N916-Q918 PolarHBondContact O-N 3.47Š| ||
| 917 | P | 27.4 | Very low | 34.2 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -92.5 | 59.4 | -178.2 | 38.8 | -36.8 | 0 | 0 | 0 | 114.7 | ||||
| 918 | Q | 32 | Very low | 35.4 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -101.5 | -29.1 | -176.9 | -152.2 | 74.6 | 2.2 | 0 | 0 | 114.8 | N916 | N916-Q918 PolarHBondContact O-N 3.47Š| ||
| 919 | S | 36 | Very low | 36.9 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 57% | 0.566 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -82.4 | -32.6 | -167.5 | 51.4 | 0 | 0 | 0 | 0 | 115.8 | Y921 E922 | S919-Y921 VanDerWaalsContact C-N 3.29Å; S919-Y921 PolarHBondContact O-N 3.34Å; S919-E922 PolarHBondContact O-N 2.96Å |
| 920 | N | 35.6 | Very low | 38 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.8 | -17.6 | -175.3 | -87.9 | -25.5 | 0 | 0 | 0 | 114.4 | L924 | N920-L924 PolarHBondContact O-N 2.73Å |
| 921 | Y | 33.8 | Very low | 39.3 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 73% | 0.729 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.4 | -33.5 | 175.8 | -90.6 | -79.6 | 0 | 0 | 0 | 112.8 | S919 S925 | S919-Y921 VanDerWaalsContact C-N 3.29Å; S919-Y921 PolarHBondContact O-N 3.34Å; Y921-S925 WeakPolarHBondContact O-CB 3.41Å; Y921-S925 PolarHBondContact O-N 3.18Å |
| 922 | E | 36.3 | Very low | 40.6 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -46.9 | 179.6 | -64.3 | -165.7 | 136.4 | 0 | 0 | 111.4 | S919 L924 S925 L926 | S919-E922 PolarHBondContact O-N 2.96Å; E922-L924 PolarHBondContact O-N 2.81Å; E922-S925 WeakPolarHBondContact O-CA 3.39Å; E922-S925 WeakPolarHBondContact O-CB 3.49Å; E922-S925 PolarHBondContact O-N 2.98Å; E922-S925 VanDerWaalsContact O-N 3.07Å; E922-S925 PolarHBondContact O-OG 3.32Å; E922-L926 WeakPolarHBondContact O-CG 3.43Å; E922-L926 PolarHBondContact O-N 3.39Å |
| 923 | S | 39.1 | Very low | 41.9 | Very low | 68 Ų | 68 | 110.9 Ų | 110.9 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.5 | -46.2 | 176 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | L926 I927 | S923-L926 PolarHBondContact O-N 2.74Å; S923-I927 WeakPolarHBondContact O-CG1 3.31Å; S923-I927 PolarHBondContact O-N 3.07Å |
| 924 | L | 40.7 | Very low | 43 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.1 | -32.4 | 175.9 | -73.9 | 169.7 | 0 | 0 | 0 | 112.3 | N920 E922 N928 | N920-L924 PolarHBondContact O-N 2.73Å; E922-L924 PolarHBondContact O-N 2.81Å; L924-N928 PolarHBondContact O-N 2.85Å; L924-N928 PolarHBondContact O-ND2 3.07Å |
| 925 | S | 43.6 | Very low | 43.9 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -43.4 | 173.6 | 84.2 | 0 | 0 | 0 | 0 | 111.7 | Y921 E922 I927 N928 I929 | Y921-S925 WeakPolarHBondContact O-CB 3.41Å; Y921-S925 PolarHBondContact O-N 3.18Å; E922-S925 WeakPolarHBondContact O-CA 3.39Å; E922-S925 WeakPolarHBondContact O-CB 3.49Å; E922-S925 PolarHBondContact O-N 2.98Å; E922-S925 VanDerWaalsContact O-N 3.07Å; E922-S925 PolarHBondContact O-OG 3.32Å; S925-I927 PolarHBondContact O-N 3.36Å; S925-N928 CarbonylContact O-C 3.59Å; S925-N928 PolarHBondContact O-N 3.05Å; S925-I929 WeakPolarHBondContact O-CB 3.48Å; S925-I929 WeakPolarHBondContact O-CD1 3.45Å; S925-I929 VanDerWaalsContact O-CG1 3.23Å; S925-I929 WeakPolarHBondContact O-CG1 3.39Å; S925-I929 PolarHBondContact O-N 2.9Å |
| 926 | L | 46.4 | Very low | 44.7 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -39.1 | -179.6 | -78.5 | 164.7 | 0 | 0 | 0 | 112.1 | E922 S923 I929 N930 | E922-L926 WeakPolarHBondContact O-CG 3.43Å; E922-L926 PolarHBondContact O-N 3.39Å; S923-L926 PolarHBondContact O-N 2.74Å; L926-I929 PolarHBondContact O-N 3.42Å; L926-N930 WeakPolarHBondContact O-CB 3.31Å; L926-N930 PolarHBondContact O-N 2.96Å; L926-N930 PolarHBondContact O-ND2 3.17Å |
| 927 | I | 56.4 | Low | 45.3 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -47.1 | 173.5 | -66.9 | 168 | 0 | 0 | 0 | 110.3 | S923 S925 I929 N930 Q931 | S923-I927 WeakPolarHBondContact O-CG1 3.31Å; S923-I927 PolarHBondContact O-N 3.07Å; S925-I927 PolarHBondContact O-N 3.36Å; I927-I929 PolarHBondContact O-N 3.32Å; I927-N930 PolarHBondContact O-N 3.19Å; I927-Q931 WeakPolarHBondContact O-CG 3.47Å; I927-Q931 PolarHBondContact O-N 3.45Å |
| 928 | N | 53.1 | Low | 46.2 | Very low | 91 Ų | 91 | 103.9 Ų | 103.9 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 177.9 | -82.4 | -66.4 | 0 | 0 | 0 | 113.2 | L924 S925 Q931 K932 | L924-N928 PolarHBondContact O-N 2.85Å; L924-N928 PolarHBondContact O-ND2 3.07Å; S925-N928 CarbonylContact O-C 3.59Å; S925-N928 PolarHBondContact O-N 3.05Å; N928-Q931 PolarHBondContact O-N 2.84Å; N928-K932 WeakPolarHBondContact O-CG 3.34Å; N928-K932 PolarHBondContact O-N 3.42Å |
| 929 | I | 60.8 | Low | 46.8 | Very low | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 174.6 | -71.1 | 162 | 0 | 0 | 0 | 110 | S925 L926 I927 Q931 K932 L933 | S925-I929 WeakPolarHBondContact O-CB 3.48Å; S925-I929 WeakPolarHBondContact O-CD1 3.45Å; S925-I929 VanDerWaalsContact O-CG1 3.23Å; S925-I929 WeakPolarHBondContact O-CG1 3.39Å; S925-I929 PolarHBondContact O-N 2.9Å; L926-I929 PolarHBondContact O-N 3.42Å; I927-I929 PolarHBondContact O-N 3.32Å; I929-Q931 VanDerWaalsContact C-N 3.31Å; I929-Q931 PolarHBondContact O-N 3.19Å; I929-K932 PolarHBondContact O-N 2.87Å; I929-L933 HydrophobicContact CG2-CD1 3.97Å; I929-L933 HydrophobicContact CG2-CG 4.39Å; I929-L933 WeakPolarHBondContact O-CG 3.32Å; I929-L933 PolarHBondContact O-N 2.68Å |
| 930 | N | 50.7 | Low | 47.6 | Very low | 89 Ų | 89 | 98.2 Ų | 98.2 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | 177.2 | -83.9 | -78.5 | 0 | 0 | 0 | 113 | L926 I927 K934 | L926-N930 WeakPolarHBondContact O-CB 3.31Å; L926-N930 PolarHBondContact O-N 2.96Å; L926-N930 PolarHBondContact O-ND2 3.17Å; I927-N930 PolarHBondContact O-N 3.19Å; N930-K934 WeakPolarHBondContact O-CG 3.45Å; N930-K934 PolarHBondContact O-N 3.24Å; N930-K934 VanDerWaalsContact O-N 3.17Å |
| 931 | Q | 52.5 | Low | 48.1 | Very low | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 172.2 | -70.7 | -178.6 | 15.6 | 0 | 0 | 111.9 | I927 N928 I929 L933 K934 L935 | I927-Q931 WeakPolarHBondContact O-CG 3.47Å; I927-Q931 PolarHBondContact O-N 3.45Å; N928-Q931 PolarHBondContact O-N 2.84Å; I929-Q931 VanDerWaalsContact C-N 3.31Å; I929-Q931 PolarHBondContact O-N 3.19Å; Q931-L933 PolarHBondContact O-N 2.66Å; Q931-K934 PolarHBondContact O-N 2.79Å; Q931-L935 WeakPolarHBondContact O-CG 3.28Å; Q931-L935 PolarHBondContact O-N 2.9Å |
| 932 | K | 57.9 | Low | 48.9 | Very low | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 173.3 | -80 | -175.4 | 175.4 | -178 | 0 | 112.4 | I697 N928 I929 K934 L935 I936 | I697-K932 HydrophobicContact CD1-CD 4.31Å; N928-K932 WeakPolarHBondContact O-CG 3.34Å; N928-K932 PolarHBondContact O-N 3.42Å; I929-K932 PolarHBondContact O-N 2.87Å; K932-K934 PolarHBondContact O-N 3.4Å; K932-L935 PolarHBondContact O-N 3.14Å; K932-I936 VanDerWaalsContact O-CG1 3.27Å; K932-I936 WeakPolarHBondContact O-CG1 3.42Å; K932-I936 PolarHBondContact O-N 2.87Å |
| 933 | L | 56.5 | Low | 49.5 | Very low | 96 Ų | 96 | 89.3 Ų | 89.3 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.6 | -72.2 | 171.1 | 0 | 0 | 0 | 112.1 | I929 Q931 L935 I936 Q937 | I929-L933 HydrophobicContact CG2-CD1 3.97Å; I929-L933 HydrophobicContact CG2-CG 4.39Å; I929-L933 WeakPolarHBondContact O-CG 3.32Å; I929-L933 PolarHBondContact O-N 2.68Å; Q931-L933 PolarHBondContact O-N 2.66Å; L933-L935 PolarHBondContact O-N 3.17Å; L933-I936 PolarHBondContact O-N 2.84Å; L933-Q937 WeakPolarHBondContact O-CB 3.35Å; L933-Q937 PolarHBondContact O-N 3.49Å |
| 934 | K | 51.1 | Low | 49.8 | Very low | 161 Ų | 161 | 88.5 Ų | 88.5 | 70% | 0.7 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 173.6 | -74.8 | 177.6 | 177.5 | 179.1 | 0 | 112.8 | N930 Q931 K932 G938 | N930-K934 WeakPolarHBondContact O-CG 3.45Å; N930-K934 PolarHBondContact O-N 3.24Å; N930-K934 VanDerWaalsContact O-N 3.17Å; Q931-K934 PolarHBondContact O-N 2.79Å; K932-K934 PolarHBondContact O-N 3.4Å; K934-G938 PolarHBondContact O-N 2.82Å; K934-G938 VanDerWaalsContact O-N 3.11Å |
| 935 | L | 48.7 | Very low | 50.2 | Low | 128 Ų | 128 | 86.6 Ų | 86.6 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 175.9 | -71.9 | 167.8 | 0 | 0 | 0 | 112.1 | Q931 K932 L933 S939 | Q931-L935 WeakPolarHBondContact O-CG 3.28Å; Q931-L935 PolarHBondContact O-N 2.9Å; K932-L935 PolarHBondContact O-N 3.14Å; L933-L935 PolarHBondContact O-N 3.17Å; L935-S939 WeakPolarHBondContact O-CB 3.5Å; L935-S939 PolarHBondContact O-N 3.15Å |
| 936 | I | 49.1 | Very low | 50.7 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 28% | 0.277 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.1 | -50.9 | 174.7 | -70.5 | 163.4 | 0 | 0 | 0 | 109.8 | I697 T699 K932 L933 G938 S939 T940 | I697-I936 HydrophobicContact CG2-CD1 4.29Å; T699-I936 HydrophobicContact CG2-CD1 4.3Å; T699-I936 HydrophobicContact CG2-CG1 4.41Å; T699-I936 HydrophobicContact CG2-CG2 4.01Å; K932-I936 VanDerWaalsContact O-CG1 3.27Å; K932-I936 WeakPolarHBondContact O-CG1 3.42Å; K932-I936 PolarHBondContact O-N 2.87Å; L933-I936 PolarHBondContact O-N 2.84Å; I936-G938 PolarHBondContact O-N 2.65Å; I936-S939 WeakPolarHBondContact O-CB 3.45Å; I936-S939 PolarHBondContact O-N 3.25Å; I936-S939 VanDerWaalsContact O-N 3.09Å; I936-T940 PolarHBondContact O-N 2.81Å; I936-T940 PolarHBondContact O-OG1 2.96Å |
| 937 | Q | 42.8 | Very low | 51.2 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | -177.9 | -169.5 | 165.6 | 2.9 | 0 | 0 | 112.1 | L933 S939 T940 D941 | L933-Q937 WeakPolarHBondContact O-CB 3.35Å; L933-Q937 PolarHBondContact O-N 3.49Å; Q937-S939 VanDerWaalsContact C-N 3.29Å; Q937-S939 PolarHBondContact O-N 2.94Å; Q937-T940 WeakPolarHBondContact O-CB 3.49Å; Q937-T940 PolarHBondContact O-N 2.85Å; Q937-T940 VanDerWaalsContact O-N 3.11Å; Q937-D941 PolarHBondContact O-N 3.07Å |
| 938 | G | 47.6 | Very low | 50.7 | Low | 30 Ų | 30 | 88.6 Ų | 88.6 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K934 I936 I942 | K934-G938 PolarHBondContact O-N 2.82Å; K934-G938 VanDerWaalsContact O-N 3.11Å; I936-G938 PolarHBondContact O-N 2.65Å; G938-I942 WeakPolarHBondContact O-CD1 3.49Å; G938-I942 VanDerWaalsContact O-CG1 3.29Å; G938-I942 WeakPolarHBondContact O-CG1 3.43Å; G938-I942 PolarHBondContact O-N 2.82Å |
| 939 | S | 44.3 | Very low | 50.9 | Low | 55 Ų | 55 | 86.4 Ų | 86.4 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 172.3 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | L935 I936 Q937 I942 Q943 | L935-S939 WeakPolarHBondContact O-CB 3.5Å; L935-S939 PolarHBondContact O-N 3.15Å; I936-S939 WeakPolarHBondContact O-CB 3.45Å; I936-S939 PolarHBondContact O-N 3.25Å; I936-S939 VanDerWaalsContact O-N 3.09Å; Q937-S939 VanDerWaalsContact C-N 3.29Å; Q937-S939 PolarHBondContact O-N 2.94Å; S939-I942 PolarHBondContact O-N 2.88Å; S939-Q943 WeakPolarHBondContact O-CB 3.08Å; S939-Q943 WeakPolarHBondContact O-CG 3.49Å; S939-Q943 PolarHBondContact O-N 3.1Å |
| 940 | T | 52.8 | Low | 51.1 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.1 | -51.9 | 0 | 0 | 0 | 0 | 111 | I936 Q937 I942 Q943 N944 | I936-T940 PolarHBondContact O-N 2.81Å; I936-T940 PolarHBondContact O-OG1 2.96Å; Q937-T940 WeakPolarHBondContact O-CB 3.49Å; Q937-T940 PolarHBondContact O-N 2.85Å; Q937-T940 VanDerWaalsContact O-N 3.11Å; T940-I942 VanDerWaalsContact C-N 3.33Å; T940-I942 PolarHBondContact O-N 2.89Å; T940-Q943 PolarHBondContact O-N 2.84Å; T940-N944 WeakPolarHBondContact O-CB 3.48Å; T940-N944 VanDerWaalsContact O-CG 3.27Å; T940-N944 PolarHBondContact O-N 2.82Å; T940-N944 PolarHBondContact O-ND2 3.11Å |
| 941 | D | 45.6 | Very low | 51.8 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.5 | -65.7 | -31.1 | 0 | 0 | 0 | 111.8 | Q937 S945 | Q937-D941 PolarHBondContact O-N 3.07Å; D941-S945 WeakPolarHBondContact O-CB 3.4Å; D941-S945 PolarHBondContact O-N 2.96Å |
| 942 | I | 51.4 | Low | 52.1 | Low | 108 Ų | 108 | 86.1 Ų | 86.1 | 55% | 0.554 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.6 | -43.6 | 175.9 | -69 | 166.2 | 0 | 0 | 0 | 111.3 | G938 S939 T940 S945 M946 | G938-I942 WeakPolarHBondContact O-CD1 3.49Å; G938-I942 VanDerWaalsContact O-CG1 3.29Å; G938-I942 WeakPolarHBondContact O-CG1 3.43Å; G938-I942 PolarHBondContact O-N 2.82Å; S939-I942 PolarHBondContact O-N 2.88Å; T940-I942 VanDerWaalsContact C-N 3.33Å; T940-I942 PolarHBondContact O-N 2.89Å; I942-S945 PolarHBondContact O-N 2.87Å; I942-M946 HydrophobicContact CG2-CE 4.13Å; I942-M946 WeakPolarHBondContact O-CG 3.43Å; I942-M946 PolarHBondContact O-N 2.84Å |
| 943 | Q | 47.8 | Very low | 52.5 | Low | 74 Ų | 74 | 83.8 Ų | 83.8 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176.6 | -77.1 | 172.6 | -11 | 0 | 0 | 111.8 | S939 T940 M946 F947 | S939-Q943 WeakPolarHBondContact O-CB 3.08Å; S939-Q943 WeakPolarHBondContact O-CG 3.49Å; S939-Q943 PolarHBondContact O-N 3.1Å; T940-Q943 PolarHBondContact O-N 2.84Å; Q943-M946 HydrophobicContact CG-CE 4.27Å; Q943-M946 PolarHBondContact O-N 3.21Å; Q943-F947 WeakPolarHBondContact O-CB 3.28Å; Q943-F947 PolarHBondContact O-N 2.77Å |
| 944 | N | 47.3 | Very low | 53.1 | Low | 51 Ų | 51 | 82.3 Ų | 82.3 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.6 | -70.8 | -21 | 0 | 0 | 0 | 112.1 | V188 T940 F947 Q948 | V188-N944 WeakPolarHBondContact CG1-ND2 3.47Å; V188-N944 HydrophobicContact CG2-CB 3.62Å; T940-N944 WeakPolarHBondContact O-CB 3.48Å; T940-N944 VanDerWaalsContact O-CG 3.27Å; T940-N944 PolarHBondContact O-N 2.82Å; T940-N944 PolarHBondContact O-ND2 3.11Å; N944-F947 PolarHBondContact O-N 3.26Å; N944-Q948 WeakPolarHBondContact O-CB 3.33Å; N944-Q948 WeakPolarHBondContact O-CG 3.36Å; N944-Q948 PolarHBondContact O-N 3.34Å |
| 945 | S | 49.1 | Very low | 54 | Low | 65 Ų | 65 | 79.5 Ų | 79.5 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | D941 I942 S949 | D941-S945 WeakPolarHBondContact O-CB 3.4Å; D941-S945 PolarHBondContact O-N 2.96Å; I942-S945 PolarHBondContact O-N 2.87Å; S945-S949 WeakPolarHBondContact O-CB 3.23Å; S945-S949 PolarHBondContact O-N 3.12Å |
| 946 | M | 53.7 | Low | 54.9 | Low | 107 Ų | 107 | 76.9 Ų | 76.9 | 53% | 0.527 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 173.6 | -70.5 | -171.2 | -62.5 | 0 | 0 | 112.6 | I942 Q943 S949 K950 | I942-M946 HydrophobicContact CG2-CE 4.13Å; I942-M946 WeakPolarHBondContact O-CG 3.43Å; I942-M946 PolarHBondContact O-N 2.84Å; Q943-M946 HydrophobicContact CG-CE 4.27Å; Q943-M946 PolarHBondContact O-N 3.21Å; M946-S949 PolarHBondContact O-N 2.67Å; M946-K950 WeakPolarHBondContact O-CG 3.41Å; M946-K950 PolarHBondContact O-N 3.22Å |
| 947 | F | 55.4 | Low | 56 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 55% | 0.548 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 178.5 | -175.6 | -116.4 | 0 | 0 | 0 | 112 | Q943 N944 S949 K950 I951 | Q943-F947 WeakPolarHBondContact O-CB 3.28Å; Q943-F947 PolarHBondContact O-N 2.77Å; N944-F947 PolarHBondContact O-N 3.26Å; F947-S949 VanDerWaalsContact C-N 3.3Å; F947-S949 PolarHBondContact O-N 3.02Å; F947-K950 PolarHBondContact O-N 3.44Å; F947-K950 VanDerWaalsContact O-N 3.12Å; F947-I951 HydrophobicContact CD1-CD1 3.89Å; F947-I951 HydrophobicContact CE1-CD1 3.5Å; F947-I951 VanDerWaalsContact CE1-CD1 3.5Å; F947-I951 HydrophobicContact CE2-CD1 4.35Å; F947-I951 HydrophobicContact CG-CD1 4.47Å; F947-I951 HydrophobicContact CZ-CD1 3.76Å; F947-I951 HydrophobicContact CZ-CG1 4.46Å; F947-I951 PolarHBondContact O-N 3.21Å |
| 948 | Q | 47.9 | Very low | 57.5 | Low | 57 Ų | 57 | 78.3 Ų | 78.3 | 27% | 0.266 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 173.4 | -70.7 | -68.9 | -3.5 | 0 | 0 | 111.7 | E186 N944 K950 I951 S952 | E186-Q948 PolarHBondContact O-NE2 3.2Å; E186-Q948 VanDerWaalsContact O-NE2 3.17Å; N944-Q948 WeakPolarHBondContact O-CB 3.33Å; N944-Q948 WeakPolarHBondContact O-CG 3.36Å; N944-Q948 PolarHBondContact O-N 3.34Å; Q948-K950 PolarHBondContact O-N 3.38Å; Q948-I951 PolarHBondContact O-N 3.05Å; Q948-S952 WeakPolarHBondContact O-CB 3.38Å; Q948-S952 PolarHBondContact O-N 2.71Å |
| 949 | S | 56.9 | Low | 58.7 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 173.6 | -159.5 | 0 | 0 | 0 | 0 | 112 | R49 S945 M946 F947 S952 T953 | R49-S949 PolarHBondContact NH2-OG 3.06Å; S945-S949 WeakPolarHBondContact O-CB 3.23Å; S945-S949 PolarHBondContact O-N 3.12Å; M946-S949 PolarHBondContact O-N 2.67Å; F947-S949 VanDerWaalsContact C-N 3.3Å; F947-S949 PolarHBondContact O-N 3.02Å; S949-S952 PolarHBondContact O-N 2.93Å; S949-T953 PolarHBondContact O-N 3.5Å; S949-T953 PolarHBondContact O-OG1 2.88Å; S949-T953 VanDerWaalsContact O-OG1 3.07Å |
| 950 | K | 64.2 | Low | 60.1 | Low | 147 Ų | 147 | 85.9 Ų | 85.9 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 176.3 | -75.3 | -178.7 | 177.6 | -172.1 | 0 | 112.8 | M946 F947 Q948 S954 | M946-K950 WeakPolarHBondContact O-CG 3.41Å; M946-K950 PolarHBondContact O-N 3.22Å; F947-K950 PolarHBondContact O-N 3.44Å; F947-K950 VanDerWaalsContact O-N 3.12Å; Q948-K950 PolarHBondContact O-N 3.38Å; K950-S954 WeakPolarHBondContact O-CB 3.21Å; K950-S954 PolarHBondContact O-N 2.84Å; K950-S954 PolarHBondContact O-OG 3.11Å |
| 951 | I | 65.9 | Low | 61.3 | Low | 63 Ų | 63 | 90.6 Ų | 90.6 | 32% | 0.323 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.3 | -71.6 | 172.6 | 0 | 0 | 0 | 110.1 | F947 Q948 T953 S954 L955 | F947-I951 HydrophobicContact CD1-CD1 3.89Å; F947-I951 HydrophobicContact CE1-CD1 3.5Å; F947-I951 VanDerWaalsContact CE1-CD1 3.5Å; F947-I951 HydrophobicContact CE2-CD1 4.35Å; F947-I951 HydrophobicContact CG-CD1 4.47Å; F947-I951 HydrophobicContact CZ-CD1 3.76Å; F947-I951 HydrophobicContact CZ-CG1 4.46Å; F947-I951 PolarHBondContact O-N 3.21Å; Q948-I951 PolarHBondContact O-N 3.05Å; I951-T953 PolarHBondContact O-N 3.21Å; I951-S954 PolarHBondContact O-N 3.4Å; I951-L955 HydrophobicContact CG2-CD1 3.81Å; I951-L955 HydrophobicContact CG2-CG 4.36Å; I951-L955 WeakPolarHBondContact O-CB 3.39Å; I951-L955 WeakPolarHBondContact O-CG 3.32Å; I951-L955 PolarHBondContact O-N 3.26Å |
| 952 | S | 57.4 | Low | 62.4 | Low | 59 Ų | 59 | 92.9 Ų | 92.9 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | Q948 S949 S954 L955 N956 | Q948-S952 WeakPolarHBondContact O-CB 3.38Å; Q948-S952 PolarHBondContact O-N 2.71Å; S949-S952 PolarHBondContact O-N 2.93Å; S952-S954 PolarHBondContact O-N 3.33Å; S952-L955 PolarHBondContact O-N 3.42Å; S952-N956 PolarHBondContact O-N 3.42Å |
| 953 | T | 67.2 | Low | 63.4 | Low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | S949 I951 N956 N957 | S949-T953 PolarHBondContact O-N 3.5Å; S949-T953 PolarHBondContact O-OG1 2.88Å; S949-T953 VanDerWaalsContact O-OG1 3.07Å; I951-T953 PolarHBondContact O-N 3.21Å; T953-N956 PolarHBondContact O-N 3.41Å; T953-N957 WeakPolarHBondContact O-CB 3.26Å; T953-N957 PolarHBondContact O-N 3.2Å; T953-N957 PolarHBondContact O-OD1 2.72Å |
| 954 | S | 69.9 | Low | 64.6 | Low | 64 Ų | 64 | 94.8 Ų | 94.8 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | -179.5 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | K950 I951 S952 N957 L958 | K950-S954 WeakPolarHBondContact O-CB 3.21Å; K950-S954 PolarHBondContact O-N 2.84Å; K950-S954 PolarHBondContact O-OG 3.11Å; I951-S954 PolarHBondContact O-N 3.4Å; S952-S954 PolarHBondContact O-N 3.33Å; S954-N957 PolarHBondContact O-N 2.96Å; S954-L958 WeakPolarHBondContact O-CD1 3.4Å; S954-L958 PolarHBondContact O-N 3.18Å |
| 955 | L | 68.9 | Low | 65.6 | Low | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.1 | -73.9 | 170.5 | 0 | 0 | 0 | 112.2 | I951 S952 L958 K959 | I951-L955 HydrophobicContact CG2-CD1 3.81Å; I951-L955 HydrophobicContact CG2-CG 4.36Å; I951-L955 WeakPolarHBondContact O-CB 3.39Å; I951-L955 WeakPolarHBondContact O-CG 3.32Å; I951-L955 PolarHBondContact O-N 3.26Å; S952-L955 PolarHBondContact O-N 3.42Å; L955-L958 PolarHBondContact O-N 2.96Å; L955-K959 WeakPolarHBondContact O-CG 3.37Å; L955-K959 PolarHBondContact O-N 3.48Å |
| 956 | N | 67.9 | Low | 66.4 | Low | 72 Ų | 72 | 96.8 Ų | 96.8 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 175.1 | -72.9 | -18.6 | 0 | 0 | 0 | 111.7 | S952 T953 L958 K959 M960 | S952-N956 PolarHBondContact O-N 3.42Å; T953-N956 PolarHBondContact O-N 3.41Å; N956-L958 VanDerWaalsContact C-N 3.33Å; N956-L958 PolarHBondContact O-N 2.87Å; N956-K959 WeakPolarHBondContact O-CB 3.12Å; N956-K959 PolarHBondContact O-N 2.84Å; N956-K959 PolarHBondContact OD1-NZ 3.49Å; N956-M960 WeakPolarHBondContact O-CG 3.5Å; N956-M960 PolarHBondContact O-N 3.12Å |
| 957 | N | 73.3 | Confident | 66.9 | Low | 95 Ų | 95 | 95 Ų | 95 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 173.1 | -70.3 | -4.8 | 0 | 0 | 0 | 112.1 | T953 S954 M960 K961 | T953-N957 WeakPolarHBondContact O-CB 3.26Å; T953-N957 PolarHBondContact O-N 3.2Å; T953-N957 PolarHBondContact O-OD1 2.72Å; S954-N957 PolarHBondContact O-N 2.96Å; N957-M960 PolarHBondContact O-N 2.75Å; N957-K961 PolarHBondContact O-N 3.17Å |
| 958 | L | 73.7 | Confident | 67.2 | Low | 122 Ų | 122 | 93.5 Ų | 93.5 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 171.5 | -100.5 | 85.5 | 0 | 0 | 0 | 112.3 | S954 L955 N956 M960 K961 Y962 | S954-L958 WeakPolarHBondContact O-CD1 3.4Å; S954-L958 PolarHBondContact O-N 3.18Å; L955-L958 PolarHBondContact O-N 2.96Å; N956-L958 VanDerWaalsContact C-N 3.33Å; N956-L958 PolarHBondContact O-N 2.87Å; L958-M960 VanDerWaalsContact C-N 3.33Å; L958-M960 PolarHBondContact O-N 2.85Å; L958-K961 PolarHBondContact O-N 3.01Å; L958-Y962 WeakPolarHBondContact O-CB 3.33Å; L958-Y962 PolarHBondContact O-N 2.82Å |
| 959 | K | 73.1 | Confident | 67.4 | Low | 112 Ų | 112 | 93 Ų | 93 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 174.7 | -72 | 175.2 | -176.7 | 170 | 0 | 111.7 | L955 N956 Y962 H963 | L955-K959 WeakPolarHBondContact O-CG 3.37Å; L955-K959 PolarHBondContact O-N 3.48Å; N956-K959 WeakPolarHBondContact O-CB 3.12Å; N956-K959 PolarHBondContact O-N 2.84Å; N956-K959 PolarHBondContact OD1-NZ 3.49Å; K959-Y962 PolarHBondContact O-N 3.44Å; K959-H963 PolarHBondContact O-CD2 2.9Å; K959-H963 PolarHBondContact O-N 3.39Å |
| 960 | M | 72.5 | Confident | 67.3 | Low | 131 Ų | 131 | 96.8 Ų | 96.8 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | -179.8 | -67.3 | -54.8 | -64.5 | 0 | 0 | 111.9 | N956 N957 L958 H964 | N956-M960 WeakPolarHBondContact O-CG 3.5Å; N956-M960 PolarHBondContact O-N 3.12Å; N957-M960 PolarHBondContact O-N 2.75Å; L958-M960 VanDerWaalsContact C-N 3.33Å; L958-M960 PolarHBondContact O-N 2.85Å; M960-H964 WeakPolarHBondContact O-CB 3.29Å; M960-H964 PolarHBondContact O-N 3.19Å |
| 961 | K | 77.9 | Confident | 66.6 | Low | 155 Ų | 155 | 92.7 Ų | 92.7 | 67% | 0.674 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 172.5 | -76.8 | -168.9 | 171.2 | -165.2 | 0 | 112.1 | N957 L958 H964 N965 | N957-K961 PolarHBondContact O-N 3.17Å; L958-K961 PolarHBondContact O-N 3.01Å; K961-H964 PolarHBondContact O-N 3.46Å; K961-N965 PolarHBondContact O-N 3.25Å; K961-N965 PolarHBondContact O-OD1 3.27Å |
| 962 | Y | 69.4 | Low | 65.8 | Low | 125 Ų | 125 | 96.2 Ų | 96.2 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 179.8 | -172.7 | -89.1 | 0 | 0 | 0 | 112.4 | C797 L958 K959 N965 Q966 | C797-Y962 PolarHBondContact O-OH 3.46Å; L958-Y962 WeakPolarHBondContact O-CB 3.33Å; L958-Y962 PolarHBondContact O-N 2.82Å; K959-Y962 PolarHBondContact O-N 3.44Å; Y962-N965 PolarHBondContact O-N 3.12Å; Y962-Q966 HydrophobicContact CE1-CG 4.25Å; Y962-Q966 PolarHBondContact O-N 3.17Å; Y962-Q966 VanDerWaalsContact O-N 3.16Å |
| 963 | H | 72.4 | Confident | 65.1 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.7 | -80.8 | -65.8 | 0 | 0 | 0 | 112.5 | K959 N965 Q966 S967 | K959-H963 PolarHBondContact O-CD2 2.9Å; K959-H963 PolarHBondContact O-N 3.39Å; H963-N965 VanDerWaalsContact C-N 3.33Å; H963-N965 PolarHBondContact O-N 3.16Å; H963-Q966 PolarHBondContact O-N 3.11Å; H963-Q966 VanDerWaalsContact O-N 3.16Å; H963-S967 PolarHBondContact O-N 2.83Å; H963-S967 PolarHBondContact O-OG 3.08Å |
| 964 | H | 73.1 | Confident | 64.4 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 178.5 | -167.3 | 67.9 | 0 | 0 | 0 | 112.1 | M960 K961 Q966 S967 Q968 | M960-H964 WeakPolarHBondContact O-CB 3.29Å; M960-H964 PolarHBondContact O-N 3.19Å; K961-H964 PolarHBondContact O-N 3.46Å; H964-Q966 VanDerWaalsContact C-N 3.35Å; H964-Q966 PolarHBondContact O-N 2.77Å; H964-S967 PolarHBondContact O-N 2.94Å; H964-Q968 PolarHBondContact CD2-NE2 2.88Å; H964-Q968 PolarHBondContact NE2-NE2 2.96Å; H964-Q968 PolarHBondContact O-N 3.01Å |
| 965 | N | 67.4 | Low | 63.4 | Low | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 174.7 | -72.7 | 22.6 | 0 | 0 | 0 | 112.2 | K961 Y962 H963 Q968 S969 | K961-N965 PolarHBondContact O-N 3.25Å; K961-N965 PolarHBondContact O-OD1 3.27Å; Y962-N965 PolarHBondContact O-N 3.12Å; H963-N965 VanDerWaalsContact C-N 3.33Å; H963-N965 PolarHBondContact O-N 3.16Å; N965-Q968 PolarHBondContact O-N 3.22Å; N965-S969 PolarHBondContact O-N 2.85Å; N965-S969 PolarHBondContact O-OG 2.94Å |
| 966 | Q | 66.4 | Low | 62.3 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 29% | 0.29 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 173 | -72.5 | -169.4 | -36.1 | 0 | 0 | 112.3 | C797 Y962 H963 H964 Q968 S969 Q970 | C797-Q966 HydrophobicContact CB-CG 4.13Å; Y962-Q966 HydrophobicContact CE1-CG 4.25Å; Y962-Q966 PolarHBondContact O-N 3.17Å; Y962-Q966 VanDerWaalsContact O-N 3.16Å; H963-Q966 PolarHBondContact O-N 3.11Å; H963-Q966 VanDerWaalsContact O-N 3.16Å; H964-Q966 VanDerWaalsContact C-N 3.35Å; H964-Q966 PolarHBondContact O-N 2.77Å; Q966-Q968 PolarHBondContact O-N 3.45Å; Q966-S969 PolarHBondContact O-N 3.34Å; Q966-S969 PolarHBondContact O-OG 3.01Å; Q966-S969 VanDerWaalsContact O-OG 3.08Å; Q966-Q970 WeakPolarHBondContact O-CG 3.27Å; Q966-Q970 PolarHBondContact O-N 3.26Å |
| 967 | S | 63.3 | Low | 60.7 | Low | 68 Ų | 68 | 110 Ų | 110 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -36.6 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | H963 H964 S971 | H963-S967 PolarHBondContact O-N 2.83Å; H963-S967 PolarHBondContact O-OG 3.08Å; H964-S967 PolarHBondContact O-N 2.94Å; S967-S971 PolarHBondContact O-N 3.35Å; S967-S971 VanDerWaalsContact O-N 3.12Å; S967-S971 PolarHBondContact O-OG 3.43Å |
| 968 | Q | 63.6 | Low | 59.1 | Low | 95 Ų | 95 | 114 Ų | 114 | 44% | 0.444 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.4 | -42 | 175 | -71.2 | -168.9 | 7.7 | 0 | 0 | 112.3 | H964 N965 Q966 Q970 S971 Q972 | H964-Q968 PolarHBondContact CD2-NE2 2.88Å; H964-Q968 PolarHBondContact NE2-NE2 2.96Å; H964-Q968 PolarHBondContact O-N 3.01Å; N965-Q968 PolarHBondContact O-N 3.22Å; Q966-Q968 PolarHBondContact O-N 3.45Å; Q968-Q970 PolarHBondContact O-N 3.28Å; Q968-S971 WeakPolarHBondContact CA-OG 3.43Å; Q968-S971 PolarHBondContact O-N 3.36Å; Q968-S971 PolarHBondContact O-OG 3.2Å; Q968-S971 VanDerWaalsContact O-OG 3.13Å; Q968-Q972 PolarHBondContact O-N 2.85Å |
| 969 | S | 51.4 | Low | 57.3 | Low | 45 Ų | 45 | 117.1 Ų | 117.1 | 32% | 0.315 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.5 | -36 | 178 | 61 | 0 | 0 | 0 | 0 | 112.8 | N965 Q966 S973 | N965-S969 PolarHBondContact O-N 2.85Å; N965-S969 PolarHBondContact O-OG 2.94Å; Q966-S969 PolarHBondContact O-N 3.34Å; Q966-S969 PolarHBondContact O-OG 3.01Å; Q966-S969 VanDerWaalsContact O-OG 3.08Å; S969-S973 WeakPolarHBondContact O-CB 3.27Å; S969-S973 PolarHBondContact O-N 2.88Å; S969-S973 VanDerWaalsContact O-N 3.12Å; S969-S973 PolarHBondContact O-OG 3.26Å |
| 970 | Q | 54 | Low | 55.6 | Low | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.8 | -43.8 | 173.2 | -74.9 | -178 | -25.7 | 0 | 0 | 112.4 | Q966 Q968 S973 Q974 | Q966-Q970 WeakPolarHBondContact O-CG 3.27Å; Q966-Q970 PolarHBondContact O-N 3.26Å; Q968-Q970 PolarHBondContact O-N 3.28Å; Q970-S973 PolarHBondContact O-N 2.55Å; Q970-S973 PolarHBondContact O-OG 3.45Å; Q970-Q974 PolarHBondContact O-N 2.94Å |
| 971 | S | 49.3 | Very low | 53.5 | Low | 62 Ų | 62 | 121 Ų | 121 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.5 | -36.7 | 179.5 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | S967 Q968 Q974 | S967-S971 PolarHBondContact O-N 3.35Å; S967-S971 VanDerWaalsContact O-N 3.12Å; S967-S971 PolarHBondContact O-OG 3.43Å; Q968-S971 WeakPolarHBondContact CA-OG 3.43Å; Q968-S971 PolarHBondContact O-N 3.36Å; Q968-S971 PolarHBondContact O-OG 3.2Å; Q968-S971 VanDerWaalsContact O-OG 3.13Å; S971-Q974 PolarHBondContact O-N 3.23Å |
| 972 | Q | 49.7 | Very low | 51.5 | Low | 136 Ų | 136 | 119.3 Ų | 119.3 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 172.1 | -74 | -176.1 | -15.5 | 0 | 0 | 112.5 | Q968 Q974 Q975 | Q968-Q972 PolarHBondContact O-N 2.85Å; Q972-Q974 PolarHBondContact O-N 3.2Å; Q972-Q975 PolarHBondContact O-N 3.22Å |
| 973 | S | 43.6 | Very low | 49.9 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.1 | -14.9 | 177.7 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | S969 Q970 | S969-S973 WeakPolarHBondContact O-CB 3.27Å; S969-S973 PolarHBondContact O-N 2.88Å; S969-S973 VanDerWaalsContact O-N 3.12Å; S969-S973 PolarHBondContact O-OG 3.26Å; Q970-S973 PolarHBondContact O-N 2.55Å; Q970-S973 PolarHBondContact O-OG 3.45Å |
| 974 | Q | 51.2 | Low | 48.1 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -4.4 | 175.3 | -70.8 | -177.5 | -5.9 | 0 | 0 | 114.2 | Q970 S971 Q972 | Q970-Q974 PolarHBondContact O-N 2.94Å; S971-Q974 PolarHBondContact O-N 3.23Å; Q972-Q974 PolarHBondContact O-N 3.2Å |
| 975 | Q | 49.6 | Very low | 46.2 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -103.8 | 1.1 | 179.6 | -69.5 | -171.8 | -14.3 | 0 | 0 | 114.5 | Q972 | Q972-Q975 PolarHBondContact O-N 3.22Š|
| 976 | Q | 44.8 | Very low | 44.4 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -104.8 | 6.4 | 178.1 | -71.5 | -171.5 | -24.1 | 0 | 0 | 114.6 | ||
| 977 | S | 35.8 | Very low | 43 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -102.4 | 22.6 | -177.4 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 978 | Q | 39.2 | Very low | 41.6 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | trans | -122.2 | 84.2 | 174.7 | -66.5 | -170.3 | 28 | 0 | 0 | 112.3 | ||||
| 979 | Q | 35.7 | Very low | 40.2 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -141.4 | 145.2 | 155.1 | -74.8 | -163.7 | -14.6 | 0 | 0 | 110.2 | ||||
| 980 | P | 38.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 150 | -177.2 | -10 | 28.2 | 0 | 0 | 0 | 113.2 | ||
| 981 | Q | 28.3 | Very low | 38.4 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 143.6 | 172.9 | -72.2 | -166.9 | -1.9 | 0 | 0 | 113.3 | ||
| 982 | P | 36.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 117.6 | 165.1 | 34.5 | -28 | 0 | 0 | 0 | 113.2 | ||
| 983 | Q | 35.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 38.3 | 154.5 | 151.2 | -63.2 | -169.5 | 3.2 | 0 | 0 | 124.2 | ||||
| 984 | Q | 33.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 165.9 Ų | 165.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 168.6 | -161.7 | -54.5 | 162.8 | -14.9 | 0 | 0 | 116.3 | ||||
| 985 | R | 33.1 | Very low | 35.9 | Very low | 206 Ų | 206 | 168.5 Ų | 168.5 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 121.7 | 139.2 | 145.1 | -69.3 | 176.5 | -73.2 | -151.7 | 2.1 | 112.7 | ||||
| 986 | Q | 30.8 | Very low | 35.2 | Very low | 159 Ų | 159 | 168.4 Ų | 168.4 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | cis | -156.7 | 166.9 | 2.7 | -127.7 | 175 | 21.6 | 0 | 0 | 109.1 | ||||
| 987 | P | 35.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 163.8 Ų | 163.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -137 | 156 | 144.4 | 38.1 | -26.7 | 0 | 0 | 0 | 114.2 | ||||
| 988 | Q | 34.1 | Very low | 34.6 | Very low | 190 Ų | 190 | 165.1 Ų | 165.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -136.3 | 171.7 | 165.1 | -84.6 | -166.4 | -16.7 | 0 | 0 | 111.3 | ||||
| 989 | Q | 34 | Very low | 34.6 | Very low | 185 Ų | 185 | 163.7 Ų | 163.7 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -87.2 | 151.2 | -159.6 | -54.8 | 160.3 | 3.5 | 0 | 0 | 113.6 | ||||
| 990 | Q | 36.3 | Very low | 34.5 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | -163.8 | -179 | 127.7 | -109.8 | 170.7 | 21 | 0 | 0 | 112.6 | |||||
| 991 | N | 32.8 | Very low | 34.3 | Very low | 143 Ų | 143 | 159 Ų | 159 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -96.5 | -173.7 | -156.6 | -71.7 | -56.6 | 0 | 0 | 0 | 115.2 | ||||
| 992 | D | 37.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | 83.3 | 157.5 | 153.1 | -68.7 | -27.8 | 0 | 0 | 0 | 118.7 | ||||
| 993 | R | 36 | Very low | 34.4 | Very low | 200 Ų | 200 | 157.7 Ų | 157.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -169.3 | 138.9 | -42.1 | -115.1 | 177.3 | -152 | -160.5 | -0.8 | 106.9 | ||||
| 994 | R | 35.2 | Very low | 34.1 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 43.2 | 116.7 | 143.9 | -64.7 | -179.9 | 175.8 | -170.3 | -1 | 120.9 | ||||
| 995 | R | 31.4 | Very low | 34.1 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | 76.3 | 151.4 | 121 | -67.6 | -178.1 | 173.9 | -165 | -3.2 | 121.3 | |||||
| 996 | Q | 34.8 | Very low | 33.8 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 70.6 | 144.1 | 153.3 | -72.9 | 155.5 | -76.3 | 0 | 0 | 117.1 | ||||
| 997 | S | 33.5 | Very low | 33.6 | Very low | 87 Ų | 87 | 151.6 Ų | 151.6 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | -163.8 | 176.8 | -19.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 998 | D | 36.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | 80.8 | 127.3 | 145.8 | -69 | -51.6 | 0 | 0 | 0 | 123.9 | ||||
| 999 | H | 38.2 | Very low | 33.2 | Very low | 148 Ų | 148 | 151 Ų | 151 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 76.9 | 109.3 | 131.6 | -77.6 | 58 | 0 | 0 | 0 | 122.1 | ||||
| 1000 | N | 34.6 | Very low | 33 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | 50.1 | 133.8 | 121.9 | -60.2 | -18.3 | 0 | 0 | 0 | 121.3 | |||||
| 1001 | G | 33.1 | Very low | 32.8 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | 132.6 | 57.1 | 113.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1002 | S | 32.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 70 | 163.7 | 140.7 | -138.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1003 | K | 33.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 112.4 | 153.8 | -76.6 | -177 | 177.9 | -179.1 | 0 | 122.4 | ||||
| 1004 | Y | 30.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 76.3 | 138 | 132 | -70.7 | -57.9 | 0 | 0 | 0 | 122.6 | ||||
| 1005 | N | 33 | Very low | 32.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | 66.2 | 106.9 | 139.8 | -65 | -0.6 | 0 | 0 | 0 | 121.3 | ||||
| 1006 | C | 27.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | 76.4 | 128 | 110.8 | -154.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1007 | M | 27.1 | Very low | 32.6 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 78.3 | 154.5 | 151.9 | -128.6 | 61.8 | 173.8 | 0 | 0 | 119.4 | ||||
| 1008 | N | 31.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | trans | 65.8 | 113.3 | 171.4 | -54.3 | -24.5 | 0 | 0 | 0 | 114.9 | ||||
| 1009 | Q | 28.8 | Very low | 32.6 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | 60 | 125.8 | 55.8 | -58.4 | -170.4 | -0.9 | 0 | 0 | 114.1 | |||||
| 1010 | L | 31.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 156.7 | 112.4 | 144.1 | -82.4 | 161.3 | 0 | 0 | 0 | 105.8 | ||||
| 1011 | M | 31.6 | Very low | 32.2 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | 62.7 | 129.4 | 89.1 | -72.2 | -142.8 | -62.2 | 0 | 0 | 112.8 | |||||
| 1012 | N | 30.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -147 | -176.9 | -3.5 | -81.1 | -34.3 | 0 | 0 | 0 | 106.9 | ||||
| 1013 | H | 35.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | -164.9 | 160.2 | 35 | -111.2 | -66.9 | 0 | 0 | 0 | 111.3 | ||||
| 1014 | S | 32.8 | Very low | 32.3 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | trans | 27.8 | 147.6 | 132.1 | -56.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1015 | N | 31.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | cis | -169.3 | 176.4 | -0.1 | -111.8 | 2.4 | 0 | 0 | 0 | 110.5 | ||||
| 1016 | H | 37.2 | Very low | 32.5 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 69.6 | 151.5 | 159 | -65.2 | -35.5 | 0 | 0 | 0 | 116.6 | ||||
| 1017 | N | 35.4 | Very low | 33 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | cis | 168.1 | 158.6 | -14.4 | -99.7 | 6.1 | 0 | 0 | 0 | 102.7 | ||||
| 1018 | S | 36 | Very low | 33.2 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 57% | 0.566 | 72% | 0.723 | S | S | * | * | cis | -172.9 | 153.9 | -7.8 | 47.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1019 | N | 34.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | trans | 68.5 | 146.1 | 158.9 | -57.3 | -23.6 | 0 | 0 | 0 | 115.8 | ||||
| 1020 | Y | 31.5 | Very low | 33.6 | Very low | 239 Ų | 239 | 145 Ų | 145 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | cis | -111.2 | 152 | 29.1 | -97.2 | -106.1 | 0 | 0 | 0 | 116.6 | ||||
| 1021 | Q | 32.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -116.3 | 151.8 | 172.7 | -64.8 | 177.5 | -23.7 | 0 | 0 | 111.4 | ||||
| 1022 | K | 33.7 | Very low | 33.9 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -178.8 | 107.4 | 130.4 | -96.7 | 169.6 | 178.6 | -177.8 | 0 | 107.3 | ||||
| 1023 | T | 33.2 | Very low | 33.9 | Very low | 112 Ų | 112 | 146 Ų | 146 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | 58.5 | 137.4 | 81.9 | 68 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1024 | I | 34.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | cis | -144.6 | 137.9 | 27.9 | -58.9 | 168.2 | 0 | 0 | 0 | 106.3 | ||||
| 1025 | K | 32.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | 79.2 | 148.4 | 57.6 | -122.8 | -173 | -175.6 | -173.4 | 0 | 115.5 | |||||
| 1026 | D | 35 | Very low | 33.9 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 67 | 149.9 | 179.3 | -73.7 | 10.7 | 0 | 0 | 0 | 117 | ||||
| 1027 | K | 36.2 | Very low | 33.8 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | -161.3 | 173.7 | -21 | -117.1 | 168.6 | -162.8 | 144.6 | 0 | 110.4 | ||||
| 1028 | N | 31.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -62.5 | 144.5 | 175.4 | -45.5 | -15.6 | 0 | 0 | 0 | 112.5 | ||||
| 1029 | D | 34.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | 177.8 | 169.5 | 103.3 | -91 | -24 | 0 | 0 | 0 | 114.1 | |||||
| 1030 | L | 33.1 | Very low | 33.5 | Very low | 160 Ų | 160 | 154 Ų | 154 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -32.5 | 131.2 | 177.9 | -59.6 | 145.7 | 0 | 0 | 0 | 118.2 | ||||
| 1031 | D | 33.1 | Very low | 33.7 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | 177.3 | 161.1 | 102.3 | -127.9 | 2.8 | 0 | 0 | 0 | 112 | |||||
| 1032 | P | 36.8 | Very low | 33.8 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | trans | -96.9 | 156.9 | 175.9 | 36.4 | -29.9 | 0 | 0 | 0 | 113.9 | ||||
| 1033 | H | 31.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | trans | 68.5 | 105.9 | -174.8 | -62.2 | -88 | 0 | 0 | 0 | 116.2 | ||||
| 1034 | L | 31.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | -167.3 | 167.1 | 111.5 | -119.2 | 84.6 | 0 | 0 | 0 | 112.3 | |||||
| 1035 | Y | 31.1 | Very low | 33.6 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | trans | -35.1 | 165 | 171.3 | -67.7 | -76.7 | 0 | 0 | 0 | 118.8 | ||||
| 1036 | H | 35.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | cis | -165.4 | 148.1 | 18.6 | -134.3 | -17.6 | 0 | 0 | 0 | 115.1 | ||||
| 1037 | K | 34.5 | Very low | 33.3 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 59% | 0.591 | 70% | 0.702 | S | S | * | * | trans | 61.3 | 151.1 | 144.6 | -81.5 | 157.5 | 179.8 | 151.7 | 0 | 121.5 | ||||
| 1038 | S | 32.1 | Very low | 33.1 | Very low | 66 Ų | 66 | 139 Ų | 139 | 46% | 0.462 | 71% | 0.707 | S | S | . | * | cis | -178.1 | 120.9 | -30.9 | -101.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1039 | I | 33.4 | Very low | 33 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -143.9 | 104.7 | 148.6 | -57.7 | -177.1 | 0 | 0 | 0 | 107.2 | ||||
| 1040 | E | 35 | Very low | 32.9 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -144.7 | 163.9 | -173 | -99.1 | -156.5 | 148 | 0 | 0 | 113.8 | ||||
| 1041 | P | 34.6 | Very low | 32.8 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | trans | -80.3 | 163.2 | -165.6 | 32.5 | -37.1 | 0 | 0 | 0 | 115.2 | L1043 | P1041-L1043 PolarHBondContact O-N 2.74Š| ||
| 1042 | P | 34.5 | Very low | 32.6 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | trans | -76.3 | 114.3 | -171.1 | 28.3 | -35.2 | 0 | 0 | 0 | 115.9 | H469 | H469-P1042 HydrophobicContact CB-CB 3.89Š| ||
| 1043 | L | 33.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | -140.8 | 97.4 | 169.7 | -78 | 171.8 | 0 | 0 | 0 | 110.8 | H469 P1041 Q1045 | H469-L1043 VanDerWaalsContact CE1-C 3.42Å; H469-L1043 PolarHBondContact CE1-O 2.65Å; H469-L1043 PolarHBondContact ND1-N 3.48Å; P1041-L1043 PolarHBondContact O-N 2.74Å; L1043-Q1045 PolarHBondContact O-N 2.84Å; L1043-Q1045 VanDerWaalsContact O-N 3.13Å | ||
| 1044 | R | 31.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 38% | 0.377 | 71% | 0.71 | S | S | . | * | trans | -83 | 96.3 | -169 | -162.4 | 164.2 | -93.5 | -144.1 | -5.9 | 117.1 | L468 H469 Q470 Y1046 | L468-R1044 WeakPolarHBondContact O-CB 3.4Å; L468-R1044 PolarHBondContact O-NE 2.71Å; L468-R1044 VanDerWaalsContact O-NE 3.11Å; H469-R1044 WeakPolarHBondContact CE1-CA 3.28Å; Q470-R1044 VanDerWaalsContact CD-NH2 3.33Å; Q470-R1044 VanDerWaalsContact CG-NH2 3.33Å; R1044-Y1046 HydrophobicContact CG-CD2 4.09Å | ||
| 1045 | Q | 32.3 | Very low | 31.9 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -115 | 131.7 | 145.9 | -68.4 | 178 | -45.5 | 0 | 0 | 109.1 | L1043 | L1043-Q1045 PolarHBondContact O-N 2.84Å; L1043-Q1045 VanDerWaalsContact O-N 3.13Å | ||
| 1046 | Y | 31.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 45% | 0.447 | 70% | 0.703 | S | S | . | * | trans | -125.7 | 121.6 | 167.5 | -99.3 | -99.1 | 0 | 0 | 0 | 107.9 | H469 Q470 R1044 | H469-Y1046 AromaticContact NE2-CE2 3.57Å; Q470-Y1046 HydrophobicContact CB-CE2 4.29Å; Q470-Y1046 VanDerWaalsContact CB-OH 3.28Å; Q470-Y1046 WeakPolarHBondContact CB-OH 3.48Å; Q470-Y1046 PolarHBondContact O-OH 3.1Å; Q470-Y1046 PolarHBondContact OE1-OH 2.81Å; R1044-Y1046 HydrophobicContact CG-CD2 4.09Å | ||
| 1047 | T | 30.1 | Very low | 31.7 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | -139.5 | 107.8 | 172.9 | 44.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1048 | L | 31.5 | Very low | 31.5 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | -106.4 | 128.7 | 171.2 | -90.5 | 166.8 | 0 | 0 | 0 | 107.7 | ||||
| 1049 | S | 28.1 | Very low | 31.2 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -108 | 107.3 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1050 | H | 34.1 | Very low | 31.1 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -124.2 | 110.4 | 153.9 | -78.7 | 5.7 | 0 | 0 | 0 | 105.4 | ||||
| 1051 | S | 30.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | 80.3 | 72.5 | 61.7 | 75.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1052 | S | 29 | Very low | 30.4 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -167.9 | 155.4 | 134 | -81.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1053 | P | 29.1 | Very low | 30 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -122 | 127.8 | -165.1 | 36.5 | -20.4 | 0 | 0 | 0 | 115.6 | ||||
| 1054 | L | 29.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -142.9 | 125.6 | 149.1 | -83.3 | 106.3 | 0 | 0 | 0 | 106.6 | ||||
| 1055 | M | 27.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | 62.7 | 80.8 | 69.9 | -67.9 | -163.3 | 72.6 | 0 | 0 | 113.7 | |||||
| 1056 | N | 31.5 | Very low | 29 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | -178.5 | 132.9 | 116.9 | -88.3 | -8.8 | 0 | 0 | 0 | 109.5 | |||||
| 1057 | Q | 31.2 | Very low | 28.7 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 56.7 | 120.3 | 107.1 | -62.2 | 173.1 | -24 | 0 | 0 | 113.5 | |||||
| 1058 | D | 30.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -135.6 | 137 | 16.3 | -84 | -46 | 0 | 0 | 0 | 116.1 | ||||
| 1059 | S | 25.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -82.2 | 147.7 | 142.7 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1060 | L | 31.1 | Very low | 28.4 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 169.9 | 116.2 | 148.5 | -87.8 | 151.6 | 0 | 0 | 0 | 104.6 | ||||
| 1061 | S | 26.1 | Very low | 28 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | 43.7 | 135 | 84.6 | 89.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1062 | I | 29.4 | Very low | 28.1 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | -162 | 146.7 | 94.8 | -96.3 | 154.9 | 0 | 0 | 0 | 111.8 | |||||
| 1063 | K | 26.1 | Very low | 27.9 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -97.7 | 112.7 | 151.7 | -96.5 | -174.2 | 168.4 | -171.4 | 0 | 107.5 | ||||
| 1064 | R | 25.7 | Very low | 27.7 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 165.5 | 164.8 | 141.4 | -101.1 | 174.5 | 172.1 | 174.7 | -2.8 | 112 | ||||
| 1065 | Q | 28 | Very low | 27.5 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 65.2 | 114 | 165 | -78.3 | 142.1 | -61.4 | 0 | 0 | 114.9 | ||||
| 1066 | Y | 23.9 | Very low | 27.5 | Very low | 211 Ų | 211 | 145.5 Ų | 145.5 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | 80.8 | 103.2 | 72.3 | -97.1 | -87 | 0 | 0 | 0 | 111.5 | |||||
| 1067 | S | 25.2 | Very low | 27.3 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 35.5 | 92.8 | 144.1 | 59.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1068 | E | 27.2 | Very low | 27.1 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -113.3 | 115.8 | 131.9 | -69.6 | -158.7 | 135.1 | 0 | 0 | 108 | ||||
| 1069 | L | 28.8 | Very low | 26.8 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | 67.9 | 126.9 | 104.5 | -51.5 | -166.7 | 0 | 0 | 0 | 112.3 | |||||
| 1070 | L | 26.8 | Very low | 26.8 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | cis | 170.5 | 138.9 | -14.8 | -116.3 | 176.2 | 0 | 0 | 0 | 102.5 | ||||
| 1071 | S | 26 | Very low | 26.6 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 61.4 | 158.3 | -174.3 | 83.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1072 | L | 31.8 | Very low | 26.6 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | cis | -107.1 | 104.2 | 5.4 | -73.7 | 157.4 | 0 | 0 | 0 | 111 | ||||
| 1073 | N | 25.4 | Very low | 26.4 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -127.4 | 69.6 | 167.3 | -159.5 | 24.8 | 0 | 0 | 0 | 108.3 | ||||
| 1074 | S | 25.9 | Very low | 26.5 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | trans | -153.6 | 111.6 | -177.7 | 48.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1075 | Y | 24.7 | Very low | 26.6 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | 57.6 | 78.8 | 78.3 | -72.6 | -68.8 | 0 | 0 | 0 | 113.6 | |||||
| 1076 | T | 27.1 | Very low | 26.7 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -119.2 | 66.4 | 147.6 | 38.5 | 0 | 0 | 0 | 0 | 109.3 | T1078 | T1076-T1078 VanDerWaalsContact C-N 3.29Å; T1076-T1078 PolarHBondContact O-N 2.68Å; T1076-T1078 VanDerWaalsContact O-N 3.1Å | ||
| 1077 | T | 27.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | trans | -79.7 | 80.6 | 168.3 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1078 | T | 26.9 | Very low | 27.2 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | -129 | 106.6 | 168.1 | 46.3 | 0 | 0 | 0 | 0 | 107.2 | T1076 | T1076-T1078 VanDerWaalsContact C-N 3.29Å; T1076-T1078 PolarHBondContact O-N 2.68Å; T1076-T1078 VanDerWaalsContact O-N 3.1Å | ||
| 1079 | N | 24.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | 49.5 | 87.9 | 63.4 | -64.4 | -10.3 | 0 | 0 | 0 | 112.6 | |||||
| 1080 | T | 26 | Very low | 27.1 | Very low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | -178.7 | 101.1 | 129.2 | 33 | 0 | 0 | 0 | 0 | 105 | |||||
| 1081 | T | 25.4 | Very low | 27.3 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | 62.6 | 156.1 | 87.6 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1082 | T | 26.2 | Very low | 27.4 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | trans | 63 | 124.5 | 154.4 | 38.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1083 | T | 26.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | -169.5 | 169.5 | -5.7 | -6.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1084 | N | 27.5 | Very low | 27.6 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | trans | 62.3 | 125 | 142.2 | -67.4 | -14.8 | 0 | 0 | 0 | 121.7 | ||||
| 1085 | N | 27.8 | Very low | 27.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | 52.5 | 121.8 | 120.2 | -42.4 | -22.8 | 0 | 0 | 0 | 117.9 | |||||
| 1086 | N | 30 | Very low | 28.1 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | -154.5 | 153.8 | 53 | -87 | -73.5 | 0 | 0 | 0 | 111.9 | |||||
| 1087 | K | 27.7 | Very low | 28.4 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | 38.1 | 126.2 | 97.5 | -40.6 | 178 | -177.1 | 175.4 | 0 | 113 | |||||
| 1088 | I | 31.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | -162 | 119.3 | 72.7 | -92.9 | 164 | 0 | 0 | 0 | 106.3 | |||||
| 1089 | T | 26.9 | Very low | 28.9 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | 50 | 135.4 | 88.9 | 56 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1090 | S | 26.8 | Very low | 29.3 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | cis | -170.5 | -171.1 | 7.4 | 32.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1091 | H | 31.7 | Very low | 29.4 | Very low | 171 Ų | 171 | 137 Ų | 137 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | trans | 86.6 | 95.3 | 161.9 | -56.4 | -65.7 | 0 | 0 | 0 | 120.3 | ||||
| 1092 | L | 28.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | trans | -50.5 | 164 | 134.8 | -74.1 | 153.7 | 0 | 0 | 0 | 111.5 | Y1094 | L1092-Y1094 HydrophobicContact CD1-CD2 4.43Š| ||
| 1093 | P | 31.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | -124.5 | 147.8 | 102.1 | 35.6 | -33.2 | 0 | 0 | 0 | 114.6 | |||||
| 1094 | Y | 27.9 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | trans | -69.8 | 158 | 164 | -106.1 | -111.1 | 0 | 0 | 0 | 111.1 | L1092 N1096 | L1092-Y1094 HydrophobicContact CD1-CD2 4.43Å; Y1094-N1096 WeakPolarHBondContact CD1-OD1 3.49Å | ||
| 1095 | Y | 31.7 | Very low | 30.1 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 91% | 0.906 | 70% | 0.695 | S | S | * | * | -148.7 | 145.4 | 125.7 | -120.4 | -83.1 | 0 | 0 | 0 | 111.1 | |||||
| 1096 | N | 31 | Very low | 30.3 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | trans | -87.8 | -174.5 | 173.4 | -47 | -64.9 | 0 | 0 | 0 | 109.2 | Y1094 | Y1094-N1096 WeakPolarHBondContact CD1-OD1 3.49Š| ||
| 1097 | H | 33.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | cis | -145.2 | 176.3 | 4.3 | -118.3 | -85.4 | 0 | 0 | 0 | 104.3 | ||||
| 1098 | D | 33 | Very low | 30.1 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | cis | -162.7 | 178.9 | 26.8 | -138.6 | -27.8 | 0 | 0 | 0 | 114 | ||||
| 1099 | Q | 30.4 | Very low | 29.9 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -8.3 | 145.4 | 162.7 | -69.7 | 155.3 | 77.5 | 0 | 0 | 119.6 | ||||
| 1100 | F | 32.8 | Very low | 29.9 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | cis | -126 | 159.4 | 36.9 | -105.2 | -100.9 | 0 | 0 | 0 | 115.6 | ||||
| 1101 | K | 28.9 | Very low | 29.9 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 50% | 0.5 | 71% | 0.71 | S | S | . | * | trans | -127.5 | 143.9 | -169.5 | -94.2 | 166.7 | 167.3 | 175.7 | 0 | 113.9 | E897 | E897-K1101 WeakPolarHBondContact OE1-CD 3.31Å; E897-K1101 WeakPolarHBondContact OE1-CE 3.4Å; E897-K1101 IonicContact OE1-NZ 2.68Å; E897-K1101 VanDerWaalsContact OE2-CD 3.27Å; E897-K1101 WeakPolarHBondContact OE2-CD 3.48Å; E897-K1101 VanDerWaalsContact OE2-CE 3.31Å; E897-K1101 WeakPolarHBondContact OE2-CE 3.43Å; E897-K1101 IonicContact OE2-NZ 3.79Å; E897-K1101 PolarHBondContact OE2-NZ 2.78Å | ||
| 1102 | S | 29.5 | Very low | 29.7 | Very low | 63 Ų | 63 | 142.3 Ų | 142.3 | 44% | 0.441 | 71% | 0.706 | S | S | . | * | trans | 11.7 | 148.2 | 142 | 59.3 | 0 | 0 | 0 | 0 | 120.4 | K898 | K898-S1102 PolarHBondContact NZ-OG 3.25Š| ||
| 1103 | N | 29.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | -164.1 | 144.2 | 75.3 | -75.9 | -48.9 | 0 | 0 | 0 | 109.5 | |||||
| 1104 | E | 29.7 | Very low | 29.7 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | 50.7 | 115.8 | 76 | -67.8 | -166.3 | 170 | 0 | 0 | 116.3 | |||||
| 1105 | K | 30.2 | Very low | 29.8 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | -175.5 | 163.7 | 112.5 | -99.3 | 169.9 | -176.5 | -179.6 | 0 | 113.6 | |||||
| 1106 | P | 32.6 | Very low | 29.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | trans | -113 | -158.9 | 179.5 | 29.3 | -8.2 | 0 | 0 | 0 | 112.8 | ||||
| 1107 | Y | 27.9 | Very low | 29.9 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | 82.7 | 134.6 | 179.3 | -71.9 | -103 | 0 | 0 | 0 | 114.7 | ||||
| 1108 | Q | 26.8 | Very low | 30 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | 55.3 | 142.2 | 82.1 | -51.4 | -179 | 10.5 | 0 | 0 | 112.9 | |||||
| 1109 | M | 26.8 | Very low | 30.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | cis | -148.5 | -163.8 | 21.1 | -152 | -173.1 | 67.3 | 0 | 0 | 112 | ||||
| 1110 | L | 26.2 | Very low | 30.5 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | trans | -84.6 | 156 | 178.6 | -74.1 | 90.7 | 0 | 0 | 0 | 114 | ||||
| 1111 | T | 27.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | 67.5 | 129.4 | 141.9 | 47.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1112 | A | 28.6 | Very low | 30.9 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | 95.9 | 117.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1113 | I | 29 | Very low | 31.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | 35.1 | 123.2 | 127 | -40.6 | 177.4 | 0 | 0 | 0 | 116.2 | |||||
| 1114 | T | 29.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | -160.3 | -179.7 | 72.7 | -45.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1115 | T | 31.8 | Very low | 31.5 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -80.8 | 165.1 | -171.6 | 53.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1116 | N | 32.3 | Very low | 31.6 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | 172 | 148.1 | 125.8 | -88.3 | -1 | 0 | 0 | 0 | 109.2 | |||||
| 1117 | T | 32.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | cis | 174.4 | 178.4 | -26.6 | 18.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 1118 | T | 35.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | 75.3 | 141.5 | 176.8 | 75.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1119 | N | 36.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -156.2 | 162.3 | -9.8 | -114.1 | -0.5 | 0 | 0 | 0 | 113.1 | ||||
| 1120 | N | 36 | Very low | 32.6 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | 69.1 | 146.5 | 156.7 | -66.9 | 4.1 | 0 | 0 | 0 | 119.3 | ||||
| 1121 | S | 37 | Very low | 33.3 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 58% | 0.58 | 73% | 0.734 | S | S | * | * | cis | -172.2 | 147.4 | -15.1 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1122 | N | 33.9 | Very low | 33.5 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | 68.5 | 148.5 | 164.5 | -49.2 | -22.2 | 0 | 0 | 0 | 115.1 | ||||
| 1123 | S | 35.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | -165.8 | 162.5 | -0.3 | 23.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1124 | S | 34.3 | Very low | 33.5 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | cis | -166.5 | 162.6 | -7.9 | -99.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1125 | I | 30.5 | Very low | 33.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | 29.4 | 128.3 | 132.5 | -41.7 | 165.1 | 0 | 0 | 0 | 117.1 | ||||
| 1126 | V | 34.2 | Very low | 33.7 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -139.9 | 138.8 | 43.4 | -143.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1127 | H | 32.4 | Very low | 34 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | 41.9 | 146.9 | 70.8 | -74.8 | -75.7 | 0 | 0 | 0 | 113.8 | |||||
| 1128 | I | 34.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | cis | -145.4 | 158.2 | 27.7 | -60.2 | 164.6 | 0 | 0 | 0 | 106.3 | ||||
| 1129 | G | 31.3 | Very low | 33.6 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | cis | 162.8 | 157.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1130 | D | 36.2 | Very low | 33.2 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -51.5 | 178.5 | 171.5 | -102.9 | -43.6 | 0 | 0 | 0 | 116.5 | ||||
| 1131 | P | 41.3 | Very low | 33.2 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | -139.8 | -177.2 | -9.5 | 32.2 | -9.8 | 0 | 0 | 0 | 115.8 | ||||
| 1132 | S | 31.1 | Very low | 32.9 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 26.2 | 126.1 | 143.6 | 67.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1133 | N | 29.2 | Very low | 33.1 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | -172.1 | 149.4 | 119.2 | -104.6 | -36.7 | 0 | 0 | 0 | 115.5 | |||||
| 1134 | N | 28.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | 62.8 | 130.9 | 139.2 | -69.2 | -21.1 | 0 | 0 | 0 | 125.2 | ||||
| 1135 | L | 30.6 | Very low | 32.5 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | 87.8 | 139.5 | 132.2 | -98.1 | 69.8 | 0 | 0 | 0 | 123.2 | ||||
| 1136 | L | 34.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 67% | 0.665 | 73% | 0.734 | S | S | * | * | trans | -75.6 | 161.9 | 165.1 | -135.5 | 69.7 | 0 | 0 | 0 | 110 | Q1138 | L1136-Q1138 HydrophobicContact CD2-CB 3.93Å; L1136-Q1138 HydrophobicContact CD2-CG 4.25Å; L1136-Q1138 HydrophobicContact CG-CB 4.3Å | ||
| 1137 | P | 38.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | -130.4 | 163.1 | 72.6 | 25.8 | -6.6 | 0 | 0 | 0 | 113 | |||||
| 1138 | Q | 29.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | cis | 87.3 | 146.2 | 28.1 | -144.5 | -167.5 | 97.1 | 0 | 0 | 115 | L1136 | L1136-Q1138 HydrophobicContact CD2-CB 3.93Å; L1136-Q1138 HydrophobicContact CD2-CG 4.25Å; L1136-Q1138 HydrophobicContact CG-CB 4.3Å | ||
| 1139 | Q | 31.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 76.4 | 127.9 | -174.7 | -53.1 | -178.8 | 15.8 | 0 | 0 | 114.2 | ||||
| 1140 | Q | 27.7 | Very low | 32.8 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | cis | 99.7 | 102.1 | 28.6 | -75.5 | -172.1 | 7.7 | 0 | 0 | 114.5 | ||||
| 1141 | Q | 35.1 | Very low | 32.5 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -170.3 | 128.9 | 137 | -98.9 | 148.7 | 98.8 | 0 | 0 | 107.5 | ||||
| 1142 | Q | 31 | Very low | 32.1 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | 99 | 149 | 50.6 | -78 | -119.4 | 28.9 | 0 | 0 | 111.5 | |||||
| 1143 | P | 38.9 | Very low | 32.4 | Very low | 86 Ų | 86 | 150 Ų | 150 | 56% | 0.558 | 74% | 0.736 | S | S | * | * | -140.5 | -164.1 | -100.1 | 31.3 | -6.1 | 0 | 0 | 0 | 115.3 | |||||
| 1144 | Q | 27.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 76.8 | 163.2 | 166.4 | -43.5 | 177.2 | 26.3 | 0 | 0 | 114 | ||||
| 1145 | K | 29.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | cis | -157.5 | 170.2 | 7 | -144.3 | 155.9 | -167.9 | 156.8 | 0 | 112 | ||||
| 1146 | Q | 34.5 | Very low | 33.5 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | 75.6 | 118.2 | 172.5 | -58.2 | 170.5 | 1.1 | 0 | 0 | 114.8 | ||||
| 1147 | Q | 29.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | cis | 70.3 | 115.8 | 32.5 | -53.1 | -179.5 | -65.5 | 0 | 0 | 115.3 | ||||
| 1148 | Y | 35.3 | Very low | 33.5 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | -178.3 | 166.9 | 98.1 | -91.3 | -60 | 0 | 0 | 0 | 110.5 | |||||
| 1149 | P | 37 | Very low | 33.9 | Very low | 106 Ų | 106 | 151 Ų | 151 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | trans | -140.5 | -173 | -130.6 | 43.1 | -22.1 | 0 | 0 | 0 | 117.6 | ||||
| 1150 | N | 31.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -10 | 142.5 | 158.1 | -60.1 | -19.6 | 0 | 0 | 0 | 119.9 | ||||
| 1151 | R | 31.1 | Very low | 34.6 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | 145.1 | 151.7 | 144.8 | -79.6 | 168.7 | -161.5 | -110 | 4.9 | 109.2 | ||||
| 1152 | L | 33 | Very low | 34.7 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | cis | -152.2 | 176.9 | -1 | -123.1 | 165 | 0 | 0 | 0 | 112.4 | ||||
| 1153 | I | 35.9 | Very low | 34.7 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -97.5 | 146.6 | -176.4 | -75.5 | 160 | 0 | 0 | 0 | 108.7 | ||||
| 1154 | P | 40.2 | Very low | 34.3 | Very low | 126 Ų | 126 | 150 Ų | 150 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | -150.2 | 170.1 | 93.2 | 38.5 | -17.3 | 0 | 0 | 0 | 119.6 | |||||
| 1155 | N | 33.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -73.5 | 164 | -175.1 | -43 | -58.6 | 0 | 0 | 0 | 115.4 | ||||
| 1156 | D | 36.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | -160.4 | 123.9 | 102.2 | -94.2 | -22.7 | 0 | 0 | 0 | 109.3 | |||||
| 1157 | Q | 36 | Very low | 34.1 | Very low | 141 Ų | 141 | 146 Ų | 146 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | 68.1 | 103.7 | 72.4 | -73.5 | -147 | 27.3 | 0 | 0 | 115.7 | |||||
| 1158 | K | 37.5 | Very low | 34 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | 174.1 | 129.2 | 103.4 | -94.6 | 179.7 | 178.1 | 170.3 | 0 | 115.9 | |||||
| 1159 | H | 38.2 | Very low | 33.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | 57.6 | 140.2 | 146 | -56.4 | -52 | 0 | 0 | 0 | 121.1 | ||||
| 1160 | H | 37.6 | Very low | 33.1 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | cis | -150.9 | 134.2 | -14.5 | -91.5 | -67.8 | 0 | 0 | 0 | 106.3 | ||||
| 1161 | H | 35.8 | Very low | 33 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | 58.5 | 143.4 | 76.8 | -98.5 | -112.6 | 0 | 0 | 0 | 116.8 | |||||
| 1162 | P | 38 | Very low | 33.1 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | cis | -143.1 | -177 | -37 | 39.5 | -21.2 | 0 | 0 | 0 | 115.1 | Y1164 | P1162-Y1164 HydrophobicContact CG-CD2 4.42Å; P1162-Y1164 HydrophobicContact CG-CE2 4.44Å | ||
| 1163 | S | 30 | Very low | 32.9 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -84.1 | 148.5 | 165.4 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1164 | Y | 31.9 | Very low | 32.6 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -148.2 | 164 | 160 | -95.6 | -69.7 | 0 | 0 | 0 | 114.1 | P1162 | P1162-Y1164 HydrophobicContact CG-CD2 4.42Å; P1162-Y1164 HydrophobicContact CG-CE2 4.44Å | ||
| 1165 | L | 28.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -100.1 | 162.5 | -172.2 | -65.6 | 94.7 | 0 | 0 | 0 | 113.7 | ||||
| 1166 | S | 26.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | 61.8 | 134.5 | 146.3 | 61.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1167 | T | 31 | Very low | 32 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | 176.9 | 158 | 112.6 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1168 | L | 27.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -68.3 | 166.1 | -175.5 | -72.7 | 140.9 | 0 | 0 | 0 | 116.5 | ||||
| 1169 | N | 27.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 68.3 | 102 | 141.1 | -69.5 | -13.9 | 0 | 0 | 0 | 122.2 | ||||
| 1170 | S | 26.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 76.2 | 177.4 | 111.7 | -159.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1171 | I | 30 | Very low | 30.9 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 64% | 0.641 | 75% | 0.748 | S | S | * | * | trans | 74.8 | 96.4 | 165.2 | -51.7 | -175 | 0 | 0 | 0 | 117.5 | ||||
| 1172 | K | 31.6 | Very low | 30.7 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | 67.3 | 157.7 | 143.6 | -62.2 | 172.1 | -167.3 | 168.9 | 0 | 117.4 | ||||
| 1173 | S | 28.9 | Very low | 30.6 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -163.5 | 179.5 | -22.5 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1174 | S | 30.9 | Very low | 30.6 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | 60.4 | 112.6 | 151.2 | 50.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1175 | T | 33.4 | Very low | 30.7 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 66 | 146.4 | 143.7 | 60.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1176 | N | 31.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | cis | -155.3 | 165.1 | 3.8 | -126.4 | -28.4 | 0 | 0 | 0 | 107.7 | ||||
| 1177 | S | 33 | Very low | 30.9 | Very low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -151 | -144.3 | 0 | -156.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1178 | K | 29.6 | Very low | 30.9 | Very low | 164 Ų | 164 | 155.3 Ų | 155.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -102.1 | 148.1 | 178.4 | -54.9 | 159.4 | -174.6 | 165.6 | 0 | 112 | ||||
| 1179 | W | 30.5 | Very low | 31.1 | Very low | 262 Ų | 262 | 155.9 Ų | 155.9 | 99% | 0.992 | 78% | 0.781 | S | S | * | * | -144.2 | 147.5 | 120.1 | -102.2 | 89.4 | 0 | 0 | 0 | 108.3 | |||||
| 1180 | I | 33.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 157 Ų | 157 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -133.5 | 140.1 | -158.3 | -79.5 | 176.2 | 0 | 0 | 0 | 112.1 | ||||
| 1181 | N | 31.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 24.8 | 128.7 | 160 | -72 | -56.2 | 0 | 0 | 0 | 119.6 | ||||
| 1182 | K | 32.7 | Very low | 31.7 | Very low | 212 Ų | 212 | 162.2 Ų | 162.2 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | -131.7 | 135 | 125.3 | -124.2 | 170.9 | -175.9 | 175.2 | 0 | 110.7 | |||||
| 1183 | K | 35.6 | Very low | 31.7 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -90.3 | 155.4 | -173.9 | -72.8 | -177.8 | 176.6 | 179 | 0 | 111.7 | ||||
| 1184 | N | 30.5 | Very low | 32 | Very low | 135 Ų | 135 | 164.8 Ų | 164.8 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 36.6 | 126.1 | 143.4 | -53.9 | 16.9 | 0 | 0 | 0 | 119.2 | ||||
| 1185 | N | 33.6 | Very low | 32 | Very low | 158 Ų | 158 | 171 Ų | 171 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | -175.2 | 98.7 | 108.4 | -93.1 | -11.6 | 0 | 0 | 0 | 113 | |||||
| 1186 | R | 28.9 | Very low | 31.9 | Very low | 329 Ų | 329 | 174.8 Ų | 174.8 | 100% | 1.242 | 82% | 0.815 | S | S | * | * | -162.7 | 0 | 128 | -108.8 | 178.4 | -176.9 | -170.9 | 1 | 109.5 |
Retrieved 1,186 of 1,186 residues in 953.3 ms
(Link to these results)