| 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 | 86.9 | Confident | 86.7 | Confident | 25 Ų | 25 | 23 Ų | 23 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | 0 | 18.3 | 0 | -95.5 | -72.2 | -170.9 | 0 | 0 | 112.2 | L4 I195 Y257 Y258 A315 L318 I319 | M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 2.79Å; M1-I195 HydrophobicContact CB-CG2 3.68Å; M1-Y257 HydrophobicContact CE-CD1 4.18Å; M1-Y257 HydrophobicContact CE-CD2 4.42Å; M1-Y257 HydrophobicContact CE-CE1 4.08Å; M1-Y257 HydrophobicContact CE-CE2 4.28Å; M1-Y257 HydrophobicContact CE-CG 4.36Å; M1-Y257 HydrophobicContact CG-CE1 3.88Å; M1-Y258 WeakPolarHBondContact CB-OH 3.28Å; M1-A315 HydrophobicContact CE-CB 4.4Å; M1-L318 HydrophobicContact CE-CB 3.91Å; M1-L318 HydrophobicContact CE-CD1 4.3Å; M1-L318 HydrophobicContact SD-CB 4.28Å; M1-L318 HydrophobicContact SD-CD1 3.54Å; M1-L318 VanDerWaalsContact SD-CD1 3.54Å; M1-I319 HydrophobicContact CE-CD1 4.46Å; M1-I319 HydrophobicContact CE-CG1 3.97Å | |||
| 2 | D | 78.7 | Confident | 87.2 | Confident | 67 Ų | 67 | 21.1 Ų | 21.1 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -37.4 | -142.6 | -50.6 | 35.2 | 0 | 0 | 0 | 112.2 | L4 N198 | D2-L4 PolarHBondContact O-N 2.8Å; D2-N198 PolarHBondContact OD2-ND2 3.32Å |
| 3 | G | 81.5 | Confident | 87.5 | Confident | 53 Ų | 53 | 21.3 Ų | 21.3 | 55% | 0.546 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 18.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P5 | G3-P5 WeakPolarHBondContact O-CD 3.3Š|
| 4 | L | 85.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -56 | 121.2 | 176.8 | 173.1 | 64.8 | 0 | 0 | 0 | 111.6 | M1 D2 R6 I195 F250 Y314 A315 | M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 2.79Å; D2-L4 PolarHBondContact O-N 2.8Å; L4-R6 PolarHBondContact O-N 2.78Å; L4-R6 PolarHBondContact O-NH1 2.89Å; L4-R6 VanDerWaalsContact O-NH1 3.16Å; L4-I195 HydrophobicContact CD2-CD1 4.28Å; L4-F250 HydrophobicContact CD1-CZ 3.98Å; L4-F250 HydrophobicContact CD2-CE1 4.34Å; L4-F250 HydrophobicContact CD2-CZ 3.98Å; L4-Y314 HydrophobicContact CB-CD1 4.44Å; L4-Y314 HydrophobicContact CB-CE1 4.23Å; L4-Y314 HydrophobicContact CD1-CD1 3.94Å; L4-A315 HydrophobicContact CD1-CB 3.99Å |
| 5 | P | 85.3 | Confident | 88.2 | Confident | 41 Ų | 41 | 21.7 Ų | 21.7 | 27% | 0.266 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 125.4 | 172.2 | -25 | 35.5 | 0 | 0 | 0 | 111.2 | G3 S311 | G3-P5 WeakPolarHBondContact O-CD 3.3Å; P5-S311 WeakPolarHBondContact O-CB 3.26Å; P5-S311 PolarHBondContact O-OG 2.82Å |
| 6 | R | 88.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 27.6 Ų | 27.6 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 135.9 | -177.6 | -53.1 | -64.1 | 170.4 | -130.1 | -7.9 | 110.8 | L4 R134 M140 E192 G306 | L4-R6 PolarHBondContact O-N 2.78Å; L4-R6 PolarHBondContact O-NH1 2.89Å; L4-R6 VanDerWaalsContact O-NH1 3.16Å; R6-R134 WeakPolarHBondContact CD-O 3.45Å; R6-R134 HydrophobicContact CG-CB 4.28Å; R6-R134 WeakPolarHBondContact CG-O 3.45Å; R6-R134 PolarHBondContact NE-O 3.04Å; R6-M140 VanDerWaalsContact CZ-CE 3.49Å; R6-M140 VanDerWaalsContact NH2-CE 3.34Å; R6-E192 WeakPolarHBondContact CB-OE1 3.14Å; R6-E192 VanDerWaalsContact CD-OE1 3.28Å; R6-E192 WeakPolarHBondContact CD-OE1 3.31Å; R6-G306 PolarHBondContact O-N 3.09Å |
| 7 | L | 89.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 150.1 | -178.6 | -71.8 | 173.9 | 0 | 0 | 0 | 111.5 | A9 R134 K247 F250 Y251 Y308 S311 | L7-A9 PolarHBondContact O-N 2.74Å; L7-R134 PolarHBondContact O-NH2 3.39Å; L7-K247 HydrophobicContact CD1-CG 4.28Å; L7-F250 HydrophobicContact CD1-CB 4.43Å; L7-F250 HydrophobicContact CD1-CD1 3.64Å; L7-F250 HydrophobicContact CD1-CD2 4.5Å; L7-F250 HydrophobicContact CD1-CE1 3.99Å; L7-F250 HydrophobicContact CD1-CG 3.93Å; L7-Y251 HydrophobicContact CD1-CE2 3.93Å; L7-Y308 HydrophobicContact CD2-CD1 3.81Å; L7-Y308 HydrophobicContact CD2-CE1 4.34Å; L7-S311 VanDerWaalsContact CD2-CB 3.43Å |
| 8 | P | 88.4 | Confident | 88.5 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 134.1 | 172.4 | -21.7 | 33.7 | 0 | 0 | 0 | 111.6 | K247 T303 G306 Y308 | P8-K247 WeakPolarHBondContact O-CE 3.49Å; P8-K247 PolarHBondContact O-NZ 3.3Å; P8-T303 HydrophobicContact CB-CG2 4.32Å; P8-G306 VanDerWaalsContact CD-O 3.28Å; P8-G306 WeakPolarHBondContact CD-O 3.48Å; P8-G306 VanDerWaalsContact CG-O 3.27Å; P8-G306 WeakPolarHBondContact CG-O 3.2Å; P8-Y308 HydrophobicContact CB-CD2 4.48Å; P8-Y308 HydrophobicContact CB-CE2 3.76Å; P8-Y308 HydrophobicContact CG-CD2 3.85Å; P8-Y308 HydrophobicContact CG-CE1 4.46Å; P8-Y308 HydrophobicContact CG-CE2 3.62Å; P8-Y308 HydrophobicContact CG-CG 4.36Å; P8-Y308 PolarHBondContact O-OH 3.35Å |
| 9 | A | 90.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 166.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | L7 V130 F147 R243 | L7-A9 PolarHBondContact O-N 2.74Å; A9-V130 HydrophobicContact CB-CB 4.43Å; A9-V130 HydrophobicContact CB-CG2 3.69Å; A9-F147 HydrophobicContact CB-CE2 4.38Å; A9-F147 HydrophobicContact CB-CZ 3.71Å; A9-R243 PolarHBondContact O-NH1 3.4Å |
| 10 | V | 88.9 | Confident | 88.6 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 131.9 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | V130 L181 Q185 W240 | V10-V130 VanDerWaalsContact C-CG2 3.45Å; V10-V130 WeakPolarHBondContact O-CG2 3.3Å; V10-L181 HydrophobicContact CB-CD2 4.38Å; V10-L181 HydrophobicContact CG1-CD2 4.22Å; V10-Q185 PolarHBondContact O-NE2 2.89Å; V10-W240 HydrophobicContact CG1-CD2 4.34Å; V10-W240 HydrophobicContact CG1-CG 4.3Å; V10-W240 HydrophobicContact CG1-CZ2 4.29Å |
| 11 | G | 90.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | trans | -107.9 | 145.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | L | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 139.4 | 174.5 | -55.5 | 175.4 | 0 | 0 | 0 | 109.5 | Y119 A123 S126 L154 F178 M182 W240 | L12-Y119 HydrophobicContact CD1-CE2 4.48Å; L12-A123 HydrophobicContact CB-CB 4.11Å; L12-S126 PolarHBondContact N-OG 3.24Å; L12-L154 HydrophobicContact CD1-CD1 3.94Å; L12-L154 HydrophobicContact CD1-CD2 4.39Å; L12-F178 HydrophobicContact CD1-CB 4.1Å; L12-F178 HydrophobicContact CD1-CD2 4.1Å; L12-F178 HydrophobicContact CD1-CG 4.21Å; L12-F178 HydrophobicContact CD2-CB 4.4Å; L12-F178 HydrophobicContact CD2-CD1 4Å; L12-F178 HydrophobicContact CD2-CD2 4.06Å; L12-F178 HydrophobicContact CD2-CE1 4.29Å; L12-F178 HydrophobicContact CD2-CE2 4.33Å; L12-F178 HydrophobicContact CD2-CG 3.89Å; L12-F178 HydrophobicContact CD2-CZ 4.44Å; L12-M182 HydrophobicContact CG-CE 4.43Å; L12-W240 HydrophobicContact CD2-CH2 4.11Å; L12-W240 HydrophobicContact CD2-CZ2 4.48Å |
| 13 | P | 90.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -63 | 159.2 | 169 | 28 | -34.1 | 0 | 0 | 0 | 111.1 | I99 Y119 A123 | P13-I99 HydrophobicContact CG-CG2 3.65Å; P13-Y119 VanDerWaalsContact O-CE1 3.27Å; P13-Y119 WeakPolarHBondContact O-CE1 3.21Å; P13-Y119 PolarHBondContact O-OH 3.29Å; P13-A123 WeakPolarHBondContact O-CB 3.21Å |
| 14 | M | 92.3 | Very high | 90.1 | Very high | 44 Ų | 44 | 44 Ų | 44 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 143 | 179.6 | -58.6 | -171.6 | 68.9 | 0 | 0 | 111.5 | P58 L68 N120 A123 L124 I127 | M14-P58 HydrophobicContact CE-CG 3.5Å; M14-P58 VanDerWaalsContact CE-CG 3.5Å; M14-P58 HydrophobicContact SD-CG 4.42Å; M14-L68 HydrophobicContact CE-CD1 4.08Å; M14-N120 HydrophobicContact CE-CB 3.83Å; M14-A123 HydrophobicContact CG-CB 3.83Å; M14-L124 HydrophobicContact CE-CB 3.92Å; M14-L124 HydrophobicContact SD-CB 4.25Å; M14-I127 HydrophobicContact CG-CD1 3.78Å; M14-I127 HydrophobicContact SD-CD1 3.89Å |
| 15 | K | 92.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -69 | 148.8 | 169 | -70.1 | 179.8 | 70.2 | 64.6 | 0 | 110.2 | W96 Q97 I99 S116 Y119 N120 D169 L170 | K15-W96 HydrophobicContact CB-CE3 3.74Å; K15-W96 HydrophobicContact CB-CZ3 4.11Å; K15-Q97 PolarHBondContact NZ-O 3.17Å; K15-I99 HydrophobicContact CD-CD1 4.02Å; K15-I99 HydrophobicContact CD-CG1 3.82Å; K15-I99 HydrophobicContact CG-CD1 4.04Å; K15-I99 HydrophobicContact CG-CG1 3.34Å; K15-S116 WeakPolarHBondContact CE-OG 3.49Å; K15-Y119 HydrophobicContact CD-CD1 3.98Å; K15-Y119 HydrophobicContact CD-CG 4.42Å; K15-Y119 HydrophobicContact CG-CD1 3.84Å; K15-Y119 HydrophobicContact CG-CE1 4.2Å; K15-N120 PolarHBondContact N-OD1 3.44Å; K15-N120 PolarHBondContact O-ND2 2.94Å; K15-D169 IonicContact NZ-OD1 2.64Å; K15-D169 IonicContact NZ-OD2 3.26Å; K15-D169 PolarHBondContact NZ-OD2 3.23Å; K15-L170 HydrophobicContact CD-CD1 4.42Å; K15-L170 HydrophobicContact CD-CD2 4.3Å |
| 16 | K | 92.1 | Very high | 90.7 | Very high | 117 Ų | 117 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | trans | -123.1 | 153.2 | 179.9 | -62.5 | -178.5 | -179.3 | 179.5 | 0 | 111.8 | W96 Q97 | K16-W96 VanDerWaalsContact C-CE3 3.47Å; K16-W96 VanDerWaalsContact O-CE3 3.32Å; K16-Q97 HydrophobicContact CB-CB 4.39Å; K16-Q97 PolarHBondContact O-N 3.25Å | ||
| 17 | S | 92.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | trans | -149.7 | 109.2 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | F19 R52 C56 K95 | S17-F19 VanDerWaalsContact C-N 3.32Å; S17-R52 PolarHBondContact OG-NH1 3.13Å; S17-R52 PolarHBondContact OG-NH2 2.95Å; S17-C56 WeakPolarHBondContact O-CB 3.39Å; S17-K95 VanDerWaalsContact CB-O 3.31Å; S17-K95 WeakPolarHBondContact CB-O 3.3Å; S17-K95 PolarHBondContact OG-O 3.44Å | ||
| 18 | E | 86.1 | Confident | 90.9 | Very high | 170 Ų | 170 | 49.1 Ų | 49.1 | 79% | 0.794 | 25% | 0.248 | S | C | * | . | trans | -87.3 | -6.6 | 174.2 | -63.1 | -179.3 | -175.1 | 0 | 0 | 112 | ||||
| 19 | F | 88.2 | Confident | 91 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 45% | 0.447 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -89 | 133.4 | -174.4 | -64.5 | -85.8 | 0 | 0 | 0 | 111.8 | S17 R52 K95 L104 | S17-F19 VanDerWaalsContact C-N 3.32Å; F19-R52 PolarHBondContact O-NH1 3.21Å; F19-K95 HydrophobicContact CB-CB 4.31Å; F19-K95 HydrophobicContact CD2-CB 4.15Å; F19-K95 HydrophobicContact CG-CB 4.31Å; F19-K95 HydrophobicContact CG-CD 4.41Å; F19-L104 HydrophobicContact CD2-CD1 4.03Å; F19-L104 HydrophobicContact CD2-CD2 4.42Å; F19-L104 HydrophobicContact CE2-CD1 3.59Å; F19-L104 HydrophobicContact CE2-CD2 3.55Å; F19-L104 HydrophobicContact CE2-CG 4.25Å; F19-L104 HydrophobicContact CZ-CD1 4.49Å; F19-L104 HydrophobicContact CZ-CD2 3.61Å |
| 20 | V | 90.8 | Very high | 91 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 71% | 0.709 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -87.7 | 123.4 | 168.6 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L49 | V20-L49 HydrophobicContact CG1-CD1 4.29Å; V20-L49 HydrophobicContact CG1-CD2 4.02Å |
| 21 | P | 91.6 | Very high | 91 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 145.6 | 179 | 30.1 | -34.5 | 0 | 0 | 0 | 111.3 | L23 L49 V92 W94 | P21-L23 HydrophobicContact CB-CD2 4.45Å; P21-L23 HydrophobicContact CG-CD2 4.33Å; P21-L49 HydrophobicContact CG-CD2 3.96Å; P21-V92 HydrophobicContact CB-CG1 3.81Å; P21-W94 HydrophobicContact CB-CE3 4.1Å; P21-W94 HydrophobicContact CB-CZ3 4.12Å; P21-W94 HydrophobicContact CG-CE3 4.13Å; P21-W94 HydrophobicContact CG-CZ3 3.82Å |
| 22 | D | 91.8 | Very high | 90.9 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -80 | 120.6 | 173.3 | -175.3 | 10.5 | 0 | 0 | 0 | 110.8 | Q24 | D22-Q24 WeakPolarHBondContact OD1-CB 3.02Å; D22-Q24 WeakPolarHBondContact OD1-CG 3.27Å; D22-Q24 PolarHBondContact OD1-N 2.97Å |
| 23 | L | 92.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -100.9 | 7.6 | -179.7 | -53.3 | -173.7 | 0 | 0 | 0 | 113.3 | P21 P25 L26 K27 F45 F48 L49 V92 W94 | P21-L23 HydrophobicContact CB-CD2 4.45Å; P21-L23 HydrophobicContact CG-CD2 4.33Å; L23-P25 VanDerWaalsContact C-N 3.3Å; L23-L26 HydrophobicContact CD2-CD1 4.21Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 2.98Å; L23-K27 PolarHBondContact O-N 3.18Å; L23-F45 HydrophobicContact CB-CD1 4.18Å; L23-F45 HydrophobicContact CB-CE1 4.35Å; L23-F45 HydrophobicContact CD1-CD1 3.79Å; L23-F45 HydrophobicContact CD1-CE1 4.47Å; L23-F48 HydrophobicContact CD1-CD1 4.03Å; L23-F48 HydrophobicContact CD1-CE1 4.44Å; L23-L49 HydrophobicContact CD1-CD1 4.12Å; L23-L49 HydrophobicContact CD1-CD2 3.71Å; L23-L49 HydrophobicContact CD1-CG 3.77Å; L23-L49 HydrophobicContact CG-CD2 4.16Å; L23-V92 HydrophobicContact CD2-CG1 3.85Å; L23-V92 HydrophobicContact CD2-CG2 4.05Å; L23-W94 HydrophobicContact CD2-CH2 4.49Å | ||
| 24 | Q | 90.9 | Very high | 90.3 | Very high | 108 Ų | 108 | 64 Ų | 64 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.9 | -35 | 172.4 | -68.3 | -67.5 | -7.2 | 0 | 0 | 114.5 | D22 L26 K27 K28 | D22-Q24 WeakPolarHBondContact OD1-CB 3.02Å; D22-Q24 WeakPolarHBondContact OD1-CG 3.27Å; D22-Q24 PolarHBondContact OD1-N 2.97Å; Q24-L26 VanDerWaalsContact C-N 3.3Å; Q24-L26 PolarHBondContact O-N 3.47Å; Q24-K27 PolarHBondContact O-N 3.39Å; Q24-K28 WeakPolarHBondContact O-CB 3.46Å; Q24-K28 PolarHBondContact O-N 3.22Å |
| 25 | P | 90.9 | Very high | 90 | Very high | 29 Ų | 29 | 69.8 Ų | 69.8 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.2 | -41.7 | 171.2 | -27.5 | 36.6 | 0 | 0 | 0 | 113.2 | L23 Y29 V92 | L23-P25 VanDerWaalsContact C-N 3.3Å; P25-Y29 PolarHBondContact O-N 2.71Å; P25-V92 HydrophobicContact CB-CG2 4.45Å; P25-V92 HydrophobicContact CG-CG2 4.49Å |
| 26 | L | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 178.5 | -54.2 | -174.9 | 0 | 0 | 0 | 111.7 | L23 Q24 K28 Y29 I30 F45 L78 F82 F84 T90 V92 | L23-L26 HydrophobicContact CD2-CD1 4.21Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 2.98Å; Q24-L26 VanDerWaalsContact C-N 3.3Å; Q24-L26 PolarHBondContact O-N 3.47Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 3.17Å; L26-Y29 WeakPolarHBondContact O-CB 3.29Å; L26-Y29 PolarHBondContact O-N 3Å; L26-Y29 VanDerWaalsContact O-N 3.14Å; L26-I30 PolarHBondContact O-N 3.11Å; L26-F45 HydrophobicContact CB-CE1 4.04Å; L26-F45 HydrophobicContact CB-CZ 4.28Å; L26-L78 HydrophobicContact CD1-CD2 4.35Å; L26-F82 HydrophobicContact CB-CD1 4.25Å; L26-F82 HydrophobicContact CB-CE1 3.86Å; L26-F82 HydrophobicContact CB-CZ 4.22Å; L26-F82 HydrophobicContact CD2-CB 4.32Å; L26-F82 HydrophobicContact CD2-CD1 3.79Å; L26-F82 HydrophobicContact CD2-CE1 4.28Å; L26-F82 HydrophobicContact CD2-CG 4.07Å; L26-F84 HydrophobicContact CD1-CE1 4.45Å; L26-F84 HydrophobicContact CD1-CZ 4.36Å; L26-F84 HydrophobicContact CD2-CE1 3.78Å; L26-F84 HydrophobicContact CD2-CZ 4.03Å; L26-T90 HydrophobicContact CD2-CG2 4.36Å; L26-V92 HydrophobicContact CD1-CG2 4.11Å; L26-V92 HydrophobicContact CD2-CG2 4.12Å; L26-V92 HydrophobicContact CG-CG2 3.8Å |
| 27 | K | 92.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 173.6 | -69.8 | -172.5 | -178.1 | -168.6 | 0 | 111.6 | L23 Q24 Y29 I30 E31 E42 F45 | L23-K27 PolarHBondContact O-N 3.18Å; Q24-K27 PolarHBondContact O-N 3.39Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 3.39Å; K27-I30 PolarHBondContact O-N 3.44Å; K27-E31 PolarHBondContact O-N 3.48Å; K27-E42 IonicContact NZ-OE1 3.62Å; K27-E42 PolarHBondContact NZ-OE1 3.25Å; K27-E42 IonicContact NZ-OE2 2.72Å; K27-E42 PolarHBondContact NZ-OE2 3.34Å; K27-F45 HydrophobicContact CD-CE2 4.42Å; K27-F45 HydrophobicContact CG-CD2 4.11Å; K27-F45 HydrophobicContact CG-CE1 4.44Å; K27-F45 HydrophobicContact CG-CE2 3.59Å; K27-F45 HydrophobicContact CG-CZ 3.77Å |
| 28 | K | 89.6 | Confident | 89.4 | Confident | 130 Ų | 130 | 70.9 Ų | 70.9 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.2 | -35.3 | 175.3 | -169.9 | 178.9 | 179.4 | -174.7 | 0 | 112.5 | Q24 L26 E31 V32 | Q24-K28 WeakPolarHBondContact O-CB 3.46Å; Q24-K28 PolarHBondContact O-N 3.22Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 3.17Å; K28-E31 PolarHBondContact O-N 3.34Å; K28-V32 HydrophobicContact CG-CG2 4.49Å; K28-V32 WeakPolarHBondContact O-CG2 3.49Å; K28-V32 PolarHBondContact O-N 3.19Å |
| 29 | Y | 90.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 175.2 | -168.3 | -97.8 | 0 | 0 | 0 | 112.9 | P25 L26 K27 Q33 Y34 F82 H83 T88 T90 | P25-Y29 PolarHBondContact O-N 2.71Å; L26-Y29 WeakPolarHBondContact O-CB 3.29Å; L26-Y29 PolarHBondContact O-N 3Å; L26-Y29 VanDerWaalsContact O-N 3.14Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 3.39Å; Y29-Q33 HydrophobicContact CD1-CB 4.21Å; Y29-Q33 HydrophobicContact CD2-CB 4.4Å; Y29-Q33 HydrophobicContact CE1-CB 3.99Å; Y29-Q33 HydrophobicContact CE1-CG 4.12Å; Y29-Q33 HydrophobicContact CE2-CB 4.17Å; Y29-Q33 HydrophobicContact CE2-CG 4.36Å; Y29-Q33 HydrophobicContact CG-CB 4.43Å; Y29-Q33 VanDerWaalsContact O-CB 3.3Å; Y29-Q33 WeakPolarHBondContact O-CB 3.28Å; Y29-Q33 PolarHBondContact O-N 3.11Å; Y29-Y34 HydrophobicContact CD1-CD2 4.39Å; Y29-Y34 HydrophobicContact CD1-CE2 4.02Å; Y29-Y34 AromaticContact CE1-CE2 3.92Å; Y29-Y34 HydrophobicContact CE1-CE2 3.92Å; Y29-F82 AromaticContact CD1-CD1 3.46Å; Y29-F82 HydrophobicContact CD1-CD1 3.46Å; Y29-F82 VanDerWaalsContact CD1-CD1 3.46Å; Y29-F82 AromaticContact CD1-CE1 3.82Å; Y29-F82 HydrophobicContact CD1-CE1 3.82Å; Y29-F82 HydrophobicContact CE1-CD1 4.11Å; Y29-F82 HydrophobicContact CG-CD1 4.13Å; Y29-F82 HydrophobicContact CG-CE1 4.47Å; Y29-H83 PolarHBondContact OH-ND1 3.33Å; Y29-T88 HydrophobicContact CE2-CG2 4.31Å; Y29-T90 HydrophobicContact CD1-CG2 4.47Å; Y29-T90 HydrophobicContact CD2-CG2 3.38Å; Y29-T90 HydrophobicContact CE2-CG2 4.04Å; Y29-T90 HydrophobicContact CG-CG2 3.62Å |
| 30 | I | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -61.4 | -45.5 | 171.4 | -61.4 | 176.8 | 0 | 0 | 0 | 110.4 | L26 K27 V32 Y34 Q35 Q36 F41 F45 F82 L374 | L26-I30 PolarHBondContact O-N 3.11Å; K27-I30 PolarHBondContact O-N 3.44Å; I30-V32 PolarHBondContact O-N 2.6Å; I30-Y34 CarbonylContact O-C 3.58Å; I30-Y34 WeakPolarHBondContact O-CA 3.37Å; I30-Y34 WeakPolarHBondContact O-CB 3.46Å; I30-Y34 PolarHBondContact O-N 3.26Å; I30-Y34 VanDerWaalsContact O-N 3.1Å; I30-Q35 PolarHBondContact O-N 3.39Å; I30-Q35 VanDerWaalsContact O-N 3.15Å; I30-Q36 HydrophobicContact CG2-CB 4.11Å; I30-Q36 PolarHBondContact O-N 2.64Å; I30-F41 HydrophobicContact CD1-CB 4.31Å; I30-F41 HydrophobicContact CD1-CD2 3.92Å; I30-F41 HydrophobicContact CD1-CG 4.17Å; I30-F41 HydrophobicContact CG2-CD2 3.99Å; I30-F41 HydrophobicContact CG2-CE2 3.84Å; I30-F45 HydrophobicContact CD1-CE2 3.79Å; I30-F45 HydrophobicContact CD1-CZ 3.65Å; I30-F82 HydrophobicContact CD1-CZ 4.15Å; I30-F82 HydrophobicContact CG1-CE1 4Å; I30-F82 HydrophobicContact CG1-CZ 3.97Å; I30-L374 HydrophobicContact CD1-CD1 4.14Å; I30-L374 HydrophobicContact CD1-CD2 3.83Å; I30-L374 HydrophobicContact CG1-CD1 4Å; I30-L374 HydrophobicContact CG1-CD2 3.91Å; I30-L374 HydrophobicContact CG2-CD1 3.97Å |
| 31 | E | 90.1 | Very high | 89.7 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -67.3 | -36.3 | -178 | -71.6 | 173.2 | 179.2 | 0 | 0 | 113.3 | K27 K28 Q36 S38 | K27-E31 PolarHBondContact O-N 3.48Å; K28-E31 PolarHBondContact O-N 3.34Å; E31-Q36 WeakPolarHBondContact CA-O 3.47Å; E31-Q36 WeakPolarHBondContact CG-O 3.39Å; E31-S38 WeakPolarHBondContact OE1-CB 3.48Å; E31-S38 PolarHBondContact OE1-N 2.72Å; E31-S38 VanDerWaalsContact OE1-N 3.16Å; E31-S38 PolarHBondContact OE1-OG 2.92Å |
| 32 | V | 87.2 | Confident | 89.8 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 58% | 0.582 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -82.4 | -53.4 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | K28 I30 | K28-V32 HydrophobicContact CG-CG2 4.49Å; K28-V32 WeakPolarHBondContact O-CG2 3.49Å; K28-V32 PolarHBondContact O-N 3.19Å; I30-V32 PolarHBondContact O-N 2.6Å |
| 33 | Q | 84.8 | Confident | 89.9 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -90.8 | -34.4 | -166.8 | -165.6 | 67.8 | 8.5 | 0 | 0 | 113.2 | Y29 | Y29-Q33 HydrophobicContact CD1-CB 4.21Å; Y29-Q33 HydrophobicContact CD2-CB 4.4Å; Y29-Q33 HydrophobicContact CE1-CB 3.99Å; Y29-Q33 HydrophobicContact CE1-CG 4.12Å; Y29-Q33 HydrophobicContact CE2-CB 4.17Å; Y29-Q33 HydrophobicContact CE2-CG 4.36Å; Y29-Q33 HydrophobicContact CG-CB 4.43Å; Y29-Q33 VanDerWaalsContact O-CB 3.3Å; Y29-Q33 WeakPolarHBondContact O-CB 3.28Å; Y29-Q33 PolarHBondContact O-N 3.11Å |
| 34 | Y | 86.3 | Confident | 90 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -94.8 | -9.8 | 177.2 | -67 | -100.7 | 0 | 0 | 0 | 112.7 | Y29 I30 Q36 R81 L374 | Y29-Y34 HydrophobicContact CD1-CD2 4.39Å; Y29-Y34 HydrophobicContact CD1-CE2 4.02Å; Y29-Y34 AromaticContact CE1-CE2 3.92Å; Y29-Y34 HydrophobicContact CE1-CE2 3.92Å; I30-Y34 CarbonylContact O-C 3.58Å; I30-Y34 WeakPolarHBondContact O-CA 3.37Å; I30-Y34 WeakPolarHBondContact O-CB 3.46Å; I30-Y34 PolarHBondContact O-N 3.26Å; I30-Y34 VanDerWaalsContact O-N 3.1Å; Y34-Q36 PolarHBondContact O-N 3.26Å; Y34-R81 PolarHBondContact OH-O 3.03Å; Y34-L374 HydrophobicContact CD1-CD1 3.63Å; Y34-L374 HydrophobicContact CD1-CG 4.13Å; Y34-L374 HydrophobicContact CD2-CD1 4.09Å; Y34-L374 HydrophobicContact CE1-CD1 3.83Å; Y34-L374 HydrophobicContact CE1-CG 3.79Å; Y34-L374 HydrophobicContact CE2-CD1 4.27Å; Y34-L374 HydrophobicContact CE2-CD2 4.39Å; Y34-L374 HydrophobicContact CE2-CG 4.29Å; Y34-L374 HydrophobicContact CG-CD1 3.75Å |
| 35 | Q | 86.8 | Confident | 90.2 | Very high | 165 Ų | 165 | 62.1 Ų | 62.1 | 77% | 0.771 | 31% | 0.311 | S | S | * | . | trans | 56 | 28.4 | -178.1 | -54.8 | -178.7 | 19 | 0 | 0 | 113.7 | I30 | I30-Q35 PolarHBondContact O-N 3.39Å; I30-Q35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | Q | 87.7 | Confident | 90.4 | Very high | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -116 | 148 | 179.6 | -69.4 | 177.8 | 35.4 | 0 | 0 | 110.4 | I30 E31 Y34 S38 F41 | I30-Q36 HydrophobicContact CG2-CB 4.11Å; I30-Q36 PolarHBondContact O-N 2.64Å; E31-Q36 WeakPolarHBondContact CA-O 3.47Å; E31-Q36 WeakPolarHBondContact CG-O 3.39Å; Y34-Q36 PolarHBondContact O-N 3.26Å; Q36-S38 PolarHBondContact O-N 2.66Å; Q36-F41 HydrophobicContact CB-CE2 4.29Å; Q36-F41 VanDerWaalsContact OE1-CZ 3.3Å |
| 37 | S | 88.3 | Confident | 90.6 | Very high | 57 Ų | 57 | 68 Ų | 68 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | trans | -67.9 | 128.5 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | S39 L40 | S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 VanDerWaalsContact O-N 3.13Å; S37-S39 PolarHBondContact OG-OG 2.84Å; S37-L40 WeakPolarHBondContact O-CB 3.29Å; S37-L40 WeakPolarHBondContact O-CG 3.48Å; S37-L40 PolarHBondContact O-N 3.35Å; S37-L40 VanDerWaalsContact O-N 3.07Å | ||
| 38 | S | 88.1 | Confident | 90.8 | Very high | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -57.2 | -30 | 178.3 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | E31 Q36 L40 F41 | E31-S38 WeakPolarHBondContact OE1-CB 3.48Å; E31-S38 PolarHBondContact OE1-N 2.72Å; E31-S38 VanDerWaalsContact OE1-N 3.16Å; E31-S38 PolarHBondContact OE1-OG 2.92Å; Q36-S38 PolarHBondContact O-N 2.66Å; S38-L40 PolarHBondContact O-N 2.95Å; S38-L40 VanDerWaalsContact O-N 3.13Å; S38-F41 PolarHBondContact O-N 2.64Å |
| 39 | S | 88.8 | Confident | 91 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.1 | -25.4 | 177.1 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | S37 F41 E42 | S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 VanDerWaalsContact O-N 3.13Å; S37-S39 PolarHBondContact OG-OG 2.84Å; S39-F41 PolarHBondContact O-N 3.34Å; S39-E42 PolarHBondContact O-N 2.91Å |
| 40 | L | 90.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -66.3 | -21.9 | 176.3 | -64.5 | 174.3 | 0 | 0 | 0 | 112.6 | S37 S38 R373 | S37-L40 WeakPolarHBondContact O-CB 3.29Å; S37-L40 WeakPolarHBondContact O-CG 3.48Å; S37-L40 PolarHBondContact O-N 3.35Å; S37-L40 VanDerWaalsContact O-N 3.07Å; S38-L40 PolarHBondContact O-N 2.95Å; S38-L40 VanDerWaalsContact O-N 3.13Å; L40-R373 PolarHBondContact O-NH2 2.83Å |
| 41 | F | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -109.4 | 12.8 | -174.7 | -60 | -83.7 | 0 | 0 | 0 | 113.2 | I30 Q36 S38 S39 K43 E44 F45 R373 L374 | I30-F41 HydrophobicContact CD1-CB 4.31Å; I30-F41 HydrophobicContact CD1-CD2 3.92Å; I30-F41 HydrophobicContact CD1-CG 4.17Å; I30-F41 HydrophobicContact CG2-CD2 3.99Å; I30-F41 HydrophobicContact CG2-CE2 3.84Å; Q36-F41 HydrophobicContact CB-CE2 4.29Å; Q36-F41 VanDerWaalsContact OE1-CZ 3.3Å; S38-F41 PolarHBondContact O-N 2.64Å; S39-F41 PolarHBondContact O-N 3.34Å; F41-K43 PolarHBondContact O-N 3.26Å; F41-E44 WeakPolarHBondContact CA-OE2 2.9Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 PolarHBondContact O-N 3.07Å; F41-E44 VanDerWaalsContact O-N 3.08Å; F41-F45 HydrophobicContact CB-CD2 4.12Å; F41-F45 HydrophobicContact CB-CE2 3.93Å; F41-F45 WeakPolarHBondContact O-CD2 3.46Å; F41-F45 PolarHBondContact O-N 3.28Å; F41-R373 HydrophobicContact CE1-CB 3.88Å; F41-L374 HydrophobicContact CD1-CB 4.41Å; F41-L374 HydrophobicContact CE1-CB 3.83Å; F41-L374 HydrophobicContact CE1-CD1 4.08Å; F41-L374 HydrophobicContact CE2-CD1 3.98Å; F41-L374 HydrophobicContact CZ-CB 4.25Å; F41-L374 HydrophobicContact CZ-CD1 3.68Å |
| 42 | E | 93.7 | Very high | 91.7 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -30.4 | -175.9 | -160.6 | 62 | -132.8 | 0 | 0 | 112.3 | K27 S39 N46 | K27-E42 IonicContact NZ-OE1 3.62Å; K27-E42 PolarHBondContact NZ-OE1 3.25Å; K27-E42 IonicContact NZ-OE2 2.72Å; K27-E42 PolarHBondContact NZ-OE2 3.34Å; S39-E42 PolarHBondContact O-N 2.91Å; E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å; E42-N46 VanDerWaalsContact O-N 3.08Å; E42-N46 PolarHBondContact O-ND2 3.02Å |
| 43 | K | 93.6 | Very high | 92 | Very high | 169 Ų | 169 | 63.3 Ų | 63.3 | 74% | 0.735 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 175 | -68.3 | -179.1 | 179.5 | 177.7 | 0 | 111.7 | F41 S47 | F41-K43 PolarHBondContact O-N 3.26Å; K43-S47 WeakPolarHBondContact O-CB 3.29Å; K43-S47 PolarHBondContact O-N 2.91Å; K43-S47 PolarHBondContact O-OG 3.34Å |
| 44 | E | 95.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 177.4 | -71 | 80.4 | 171.6 | 0 | 0 | 111.2 | F41 N46 S47 F48 I370 F371 R373 | F41-E44 WeakPolarHBondContact CA-OE2 2.9Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 PolarHBondContact O-N 3.07Å; F41-E44 VanDerWaalsContact O-N 3.08Å; E44-N46 PolarHBondContact O-N 3.14Å; E44-S47 PolarHBondContact O-N 3.47Å; E44-S47 VanDerWaalsContact O-N 3.16Å; E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.33Å; E44-I370 HydrophobicContact CB-CG2 3.84Å; E44-I370 HydrophobicContact CG-CG2 4.21Å; E44-I370 WeakPolarHBondContact CG-O 3.44Å; E44-I370 VanDerWaalsContact O-CG2 3.28Å; E44-I370 WeakPolarHBondContact O-CG2 3.39Å; E44-F371 HydrophobicContact CB-CD1 3.79Å; E44-F371 HydrophobicContact CB-CE1 3.64Å; E44-F371 HydrophobicContact CB-CZ 4.26Å; E44-F371 HydrophobicContact CG-CD1 4.45Å; E44-R373 IonicContact OE1-CZ 2.81Å; E44-R373 IonicContact OE1-NE 3.78Å; E44-R373 PolarHBondContact OE1-NE 3.45Å; E44-R373 IonicContact OE1-NH2 3.81Å; E44-R373 PolarHBondContact OE1-NH2 2.91Å; E44-R373 IonicContact OE2-NH2 2.7Å; E44-R373 PolarHBondContact OE2-NH2 3.3Å; E44-R373 VanDerWaalsContact OE2-NH2 3.07Å |
| 45 | F | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 174.4 | -73.7 | -64 | 0 | 0 | 0 | 112.6 | L23 L26 K27 I30 F41 S47 F48 L49 F371 | L23-F45 HydrophobicContact CB-CD1 4.18Å; L23-F45 HydrophobicContact CB-CE1 4.35Å; L23-F45 HydrophobicContact CD1-CD1 3.79Å; L23-F45 HydrophobicContact CD1-CE1 4.47Å; L26-F45 HydrophobicContact CB-CE1 4.04Å; L26-F45 HydrophobicContact CB-CZ 4.28Å; K27-F45 HydrophobicContact CD-CE2 4.42Å; K27-F45 HydrophobicContact CG-CD2 4.11Å; K27-F45 HydrophobicContact CG-CE1 4.44Å; K27-F45 HydrophobicContact CG-CE2 3.59Å; K27-F45 HydrophobicContact CG-CZ 3.77Å; I30-F45 HydrophobicContact CD1-CE2 3.79Å; I30-F45 HydrophobicContact CD1-CZ 3.65Å; F41-F45 HydrophobicContact CB-CD2 4.12Å; F41-F45 HydrophobicContact CB-CE2 3.93Å; F41-F45 WeakPolarHBondContact O-CD2 3.46Å; F41-F45 PolarHBondContact O-N 3.28Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 3.47Å; F45-F48 PolarHBondContact O-N 3.49Å; F45-L49 WeakPolarHBondContact O-CB 3.3Å; F45-L49 WeakPolarHBondContact O-CG 3.44Å; F45-L49 PolarHBondContact O-N 2.85Å; F45-F371 HydrophobicContact CD1-CE1 4.01Å; F45-F371 AromaticContact CD1-CZ 3.97Å; F45-F371 HydrophobicContact CD1-CZ 3.97Å; F45-F371 HydrophobicContact CE1-CE1 4.02Å; F45-F371 HydrophobicContact CE1-CZ 4.22Å; F45-F371 HydrophobicContact CG-CE1 4.36Å; F45-F371 HydrophobicContact CZ-CE1 4.37Å |
| 46 | N | 95.2 | Very high | 92.9 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 175.8 | -79.8 | -69 | 0 | 0 | 0 | 112.7 | E42 E44 S50 | E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å; E42-N46 VanDerWaalsContact O-N 3.08Å; E42-N46 PolarHBondContact O-ND2 3.02Å; E44-N46 PolarHBondContact O-N 3.14Å; N46-S50 WeakPolarHBondContact O-CB 3.41Å; N46-S50 PolarHBondContact O-N 3.33Å |
| 47 | S | 95.3 | Very high | 93 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | K43 E44 F45 S50 L51 | K43-S47 WeakPolarHBondContact O-CB 3.29Å; K43-S47 PolarHBondContact O-N 2.91Å; K43-S47 PolarHBondContact O-OG 3.34Å; E44-S47 PolarHBondContact O-N 3.47Å; E44-S47 VanDerWaalsContact O-N 3.16Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 3.47Å; S47-S50 PolarHBondContact O-N 2.9Å; S47-L51 WeakPolarHBondContact O-CB 3.45Å; S47-L51 PolarHBondContact O-N 2.94Å |
| 48 | F | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 175.6 | 179.5 | -95 | 0 | 0 | 0 | 112 | L23 E44 F45 L51 R52 Y71 L75 L78 W94 I370 F371 | L23-F48 HydrophobicContact CD1-CD1 4.03Å; L23-F48 HydrophobicContact CD1-CE1 4.44Å; E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.33Å; F45-F48 PolarHBondContact O-N 3.49Å; F48-L51 PolarHBondContact O-N 3.11Å; F48-R52 PolarHBondContact O-N 3.36Å; F48-Y71 HydrophobicContact CD2-CE2 4.11Å; F48-Y71 HydrophobicContact CE1-CE2 4.18Å; F48-Y71 HydrophobicContact CE2-CD2 4.37Å; F48-Y71 AromaticContact CE2-CE2 3.57Å; F48-Y71 HydrophobicContact CE2-CE2 3.57Å; F48-Y71 AromaticContact CZ-CE2 3.61Å; F48-Y71 HydrophobicContact CZ-CE2 3.61Å; F48-Y71 AromaticContact CZ-CZ 3.95Å; F48-Y71 WeakPolarHBondContact CZ-OH 3.49Å; F48-L75 HydrophobicContact CE2-CD2 4.27Å; F48-L75 HydrophobicContact CZ-CD2 3.8Å; F48-L75 HydrophobicContact CZ-CG 4.47Å; F48-L78 HydrophobicContact CE1-CD2 4.29Å; F48-L78 HydrophobicContact CE2-CD2 4.01Å; F48-L78 HydrophobicContact CZ-CD2 3.69Å; F48-W94 HydrophobicContact CE1-CH2 4.42Å; F48-I370 HydrophobicContact CB-CD1 4.38Å; F48-I370 HydrophobicContact CB-CG2 4.43Å; F48-F371 HydrophobicContact CB-CE2 3.8Å; F48-F371 HydrophobicContact CB-CZ 3.97Å; F48-F371 AromaticContact CD2-CE2 3.92Å; F48-F371 HydrophobicContact CD2-CE2 3.92Å; F48-F371 AromaticContact CG-CE2 3.96Å; F48-F371 HydrophobicContact CG-CE2 3.96Å; F48-F371 HydrophobicContact CG-CZ 4.35Å |
| 49 | L | 95.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.6 | -71.9 | 176.3 | 0 | 0 | 0 | 112.4 | V20 P21 L23 F45 R52 K53 | V20-L49 HydrophobicContact CG1-CD1 4.29Å; V20-L49 HydrophobicContact CG1-CD2 4.02Å; P21-L49 HydrophobicContact CG-CD2 3.96Å; L23-L49 HydrophobicContact CD1-CD1 4.12Å; L23-L49 HydrophobicContact CD1-CD2 3.71Å; L23-L49 HydrophobicContact CD1-CG 3.77Å; L23-L49 HydrophobicContact CG-CD2 4.16Å; F45-L49 WeakPolarHBondContact O-CB 3.3Å; F45-L49 WeakPolarHBondContact O-CG 3.44Å; F45-L49 PolarHBondContact O-N 2.85Å; L49-R52 PolarHBondContact O-N 2.97Å; L49-K53 PolarHBondContact O-N 2.81Å |
| 50 | S | 94.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 172.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | N46 S47 K53 Y54 | N46-S50 WeakPolarHBondContact O-CB 3.41Å; N46-S50 PolarHBondContact O-N 3.33Å; S47-S50 PolarHBondContact O-N 2.9Å; S50-K53 PolarHBondContact O-N 2.9Å; S50-Y54 WeakPolarHBondContact O-CD2 3.38Å; S50-Y54 PolarHBondContact O-N 3.18Å |
| 51 | L | 95 | Very high | 93.8 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.8 | -178.2 | 61 | 0 | 0 | 0 | 111.5 | S47 F48 K53 Y54 A55 R70 Y71 Q74 I370 | S47-L51 WeakPolarHBondContact O-CB 3.45Å; S47-L51 PolarHBondContact O-N 2.94Å; F48-L51 PolarHBondContact O-N 3.11Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.74Å; L51-Y54 PolarHBondContact O-N 3.13Å; L51-A55 PolarHBondContact O-N 3.29Å; L51-R70 HydrophobicContact CD2-CG 4.19Å; L51-Y71 HydrophobicContact CB-CD2 4.34Å; L51-Y71 HydrophobicContact CD2-CD2 4.09Å; L51-Y71 HydrophobicContact CG-CD2 3.85Å; L51-Y71 HydrophobicContact CG-CG 4.31Å; L51-Q74 HydrophobicContact CD2-CB 4.25Å; L51-Q74 HydrophobicContact CD2-CG 3.84Å; L51-I370 HydrophobicContact CD2-CD1 3.94Å |
| 52 | R | 95.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 171.3 | -175 | 177.5 | -168.3 | -84.2 | -4.2 | 111.2 | S17 F19 F48 L49 Y54 A55 C56 Y71 E113 | S17-R52 PolarHBondContact OG-NH1 3.13Å; S17-R52 PolarHBondContact OG-NH2 2.95Å; F19-R52 PolarHBondContact O-NH1 3.21Å; F48-R52 PolarHBondContact O-N 3.36Å; L49-R52 PolarHBondContact O-N 2.97Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 2.87Å; R52-A55 CarbonylContact O-C 3.28Å; R52-A55 WeakPolarHBondContact O-CA 3.4Å; R52-A55 WeakPolarHBondContact O-CB 3.41Å; R52-A55 PolarHBondContact O-N 3.36Å; R52-C56 PolarHBondContact O-N 2.88Å; R52-C56 PolarHBondContact O-SG 2.79Å; R52-Y71 HydrophobicContact CB-CD2 4.39Å; R52-Y71 HydrophobicContact CB-CE1 4.14Å; R52-Y71 HydrophobicContact CB-CE2 3.67Å; R52-Y71 WeakPolarHBondContact CD-OH 3.38Å; R52-Y71 HydrophobicContact CG-CE1 3.86Å; R52-Y71 HydrophobicContact CG-CE2 4.24Å; R52-Y71 WeakPolarHBondContact CG-OH 3.44Å; R52-E113 IonicContact CZ-OE1 2.96Å; R52-E113 VanDerWaalsContact CZ-OE1 3.28Å; R52-E113 IonicContact CZ-OE2 3.21Å; R52-E113 IonicContact NE-OE1 3.25Å; R52-E113 PolarHBondContact NE-OE1 3.27Å; R52-E113 IonicContact NE-OE2 2.68Å; R52-E113 IonicContact NH2-OE1 2.78Å; R52-E113 PolarHBondContact NH2-OE1 3.49Å; R52-E113 VanDerWaalsContact NH2-OE1 3.11Å; R52-E113 IonicContact NH2-OE2 3.37Å; R52-E113 PolarHBondContact NH2-OE2 3.48Å |
| 53 | K | 93.7 | Very high | 93.7 | Very high | 135 Ų | 135 | 61.8 Ų | 61.8 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.3 | -47.1 | 179.2 | -173.9 | 179 | 178.2 | -179.9 | 0 | 111.7 | L49 S50 L51 A55 C56 E57 | L49-K53 PolarHBondContact O-N 2.81Å; S50-K53 PolarHBondContact O-N 2.9Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.74Å; K53-A55 VanDerWaalsContact C-N 3.29Å; K53-A55 PolarHBondContact O-N 3.11Å; K53-C56 PolarHBondContact O-N 3.36Å; K53-E57 WeakPolarHBondContact CE-OE2 3.46Å; K53-E57 IonicContact NZ-OE2 3.28Å; K53-E57 PolarHBondContact O-N 3.47Å |
| 54 | Y | 91.1 | Very high | 93.8 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 50% | 0.498 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -32.4 | 175.6 | -72.4 | -63.9 | 0 | 0 | 0 | 113.3 | S50 L51 R52 E57 P58 | S50-Y54 WeakPolarHBondContact O-CD2 3.38Å; S50-Y54 PolarHBondContact O-N 3.18Å; L51-Y54 PolarHBondContact O-N 3.13Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 2.87Å; Y54-E57 CarbonylContact O-C 3.58Å; Y54-P58 VanDerWaalsContact O-CA 3.25Å; Y54-P58 WeakPolarHBondContact O-CA 3.38Å; Y54-P58 VanDerWaalsContact O-N 3.14Å |
| 55 | A | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.2 | -23.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L51 R52 K53 L68 Y71 | L51-A55 PolarHBondContact O-N 3.29Å; R52-A55 CarbonylContact O-C 3.28Å; R52-A55 WeakPolarHBondContact O-CA 3.4Å; R52-A55 WeakPolarHBondContact O-CB 3.41Å; R52-A55 PolarHBondContact O-N 3.36Å; K53-A55 VanDerWaalsContact C-N 3.29Å; K53-A55 PolarHBondContact O-N 3.11Å; A55-L68 HydrophobicContact CB-CD2 4.08Å; A55-L68 VanDerWaalsContact O-CD2 3.31Å; A55-L68 WeakPolarHBondContact O-CD2 3.43Å; A55-Y71 HydrophobicContact CB-CD1 3.38Å; A55-Y71 HydrophobicContact CB-CE1 4.27Å; A55-Y71 HydrophobicContact CB-CG 3.68Å |
| 56 | C | 92.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -82.5 | -28.4 | 172.6 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | S17 R52 K53 P58 W96 | S17-C56 WeakPolarHBondContact O-CB 3.39Å; R52-C56 PolarHBondContact O-N 2.88Å; R52-C56 PolarHBondContact O-SG 2.79Å; K53-C56 PolarHBondContact O-N 3.36Å; C56-P58 VanDerWaalsContact C-CD 3.4Å; C56-W96 HydrophobicContact CB-CH2 4.42Å |
| 57 | E | 90 | Very high | 93.6 | Very high | 123 Ų | 123 | 53.5 Ų | 53.5 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -125.3 | 55.7 | 178.5 | -58.1 | -177 | 131.7 | 0 | 0 | 112.9 | K53 Y54 | K53-E57 WeakPolarHBondContact CE-OE2 3.46Å; K53-E57 IonicContact NZ-OE2 3.28Å; K53-E57 PolarHBondContact O-N 3.47Å; Y54-E57 CarbonylContact O-C 3.58Å |
| 58 | P | 92.2 | Very high | 93.7 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | trans | -74.4 | 146.3 | -171.7 | 30.5 | -36.1 | 0 | 0 | 0 | 113.2 | M14 Y54 C56 L68 | M14-P58 HydrophobicContact CE-CG 3.5Å; M14-P58 VanDerWaalsContact CE-CG 3.5Å; M14-P58 HydrophobicContact SD-CG 4.42Å; Y54-P58 VanDerWaalsContact O-CA 3.25Å; Y54-P58 WeakPolarHBondContact O-CA 3.38Å; Y54-P58 VanDerWaalsContact O-N 3.14Å; C56-P58 VanDerWaalsContact C-CD 3.4Å; P58-L68 HydrophobicContact CB-CD1 4.07Å; P58-L68 HydrophobicContact CB-CG 4.11Å; P58-L68 HydrophobicContact CG-CD1 3.95Å; P58-L68 HydrophobicContact CG-CG 4.22Å | ||
| 59 | S | 93.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | trans | -68.4 | 145.5 | 173.1 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | D61 G64 | S59-D61 WeakPolarHBondContact CB-OD1 3.48Å; S59-D61 WeakPolarHBondContact CB-OD2 2.91Å; S59-D61 PolarHBondContact O-N 3.04Å; S59-D61 VanDerWaalsContact OG-CG 3.3Å; S59-D61 PolarHBondContact OG-OD1 3.06Å; S59-D61 PolarHBondContact OG-OD2 3.29Å; S59-G64 WeakPolarHBondContact OG-CA 3.3Å; S59-G64 PolarHBondContact OG-N 2.96Å; S59-G64 VanDerWaalsContact OG-N 3.07Å | ||
| 60 | V | 93 | Very high | 93.7 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -83.4 | 57.8 | -175.5 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | L124 I127 K131 | V60-L124 HydrophobicContact CB-CD1 4.49Å; V60-L124 HydrophobicContact CG1-CD1 4.08Å; V60-I127 HydrophobicContact CG1-CG2 3.46Å; V60-I127 VanDerWaalsContact CG1-CG2 3.46Å; V60-K131 PolarHBondContact O-NZ 2.75Å |
| 61 | D | 93.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 51 Ų | 51 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -154.7 | -175.1 | -175.7 | 53.9 | 42.9 | 0 | 0 | 0 | 110.9 | S59 T63 G64 L65 | S59-D61 WeakPolarHBondContact CB-OD1 3.48Å; S59-D61 WeakPolarHBondContact CB-OD2 2.91Å; S59-D61 PolarHBondContact O-N 3.04Å; S59-D61 VanDerWaalsContact OG-CG 3.3Å; S59-D61 PolarHBondContact OG-OD1 3.06Å; S59-D61 PolarHBondContact OG-OD2 3.29Å; D61-T63 VanDerWaalsContact C-N 3.27Å; D61-T63 PolarHBondContact O-N 3.18Å; D61-T63 WeakPolarHBondContact OD1-CA 3.45Å; D61-T63 VanDerWaalsContact OD1-CB 3.32Å; D61-T63 WeakPolarHBondContact OD1-CB 3.34Å; D61-T63 PolarHBondContact OD1-N 3.14Å; D61-G64 PolarHBondContact OD1-N 3.44Å; D61-L65 PolarHBondContact O-N 2.86Å |
| 62 | Y | 92.1 | Very high | 93.8 | Very high | 164 Ų | 164 | 50 Ų | 50 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66 | -28.5 | 177.5 | -170.4 | -86.9 | 0 | 0 | 0 | 112.6 | L65 S66 | Y62-L65 HydrophobicContact CD2-CD2 4.5Å; Y62-L65 WeakPolarHBondContact O-CB 3.15Å; Y62-L65 PolarHBondContact O-N 3.07Å; Y62-S66 VanDerWaalsContact CE1-OG 3.3Å; Y62-S66 WeakPolarHBondContact CE1-OG 3.43Å; Y62-S66 PolarHBondContact O-N 3.38Å; Y62-S66 PolarHBondContact O-OG 3.03Å |
| 63 | T | 93.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.4 | -44.5 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | D61 L65 S66 Q67 | D61-T63 VanDerWaalsContact C-N 3.27Å; D61-T63 PolarHBondContact O-N 3.18Å; D61-T63 WeakPolarHBondContact OD1-CA 3.45Å; D61-T63 VanDerWaalsContact OD1-CB 3.32Å; D61-T63 WeakPolarHBondContact OD1-CB 3.34Å; D61-T63 PolarHBondContact OD1-N 3.14Å; T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact O-N 2.87Å; T63-S66 PolarHBondContact O-N 3.11Å; T63-Q67 WeakPolarHBondContact O-CG 3.41Å; T63-Q67 PolarHBondContact O-N 2.96Å |
| 64 | G | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -34.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 D61 Q67 L68 | S59-G64 WeakPolarHBondContact OG-CA 3.3Å; S59-G64 PolarHBondContact OG-N 2.96Å; S59-G64 VanDerWaalsContact OG-N 3.07Å; D61-G64 PolarHBondContact OD1-N 3.44Å; G64-Q67 PolarHBondContact O-N 3.28Å; G64-L68 PolarHBondContact O-N 3.45Å |
| 65 | L | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 174.2 | -178 | 69.7 | 0 | 0 | 0 | 112.4 | D61 Y62 T63 Q67 L68 K69 I121 L124 H125 L128 | D61-L65 PolarHBondContact O-N 2.86Å; Y62-L65 HydrophobicContact CD2-CD2 4.5Å; Y62-L65 WeakPolarHBondContact O-CB 3.15Å; Y62-L65 PolarHBondContact O-N 3.07Å; T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact O-N 2.87Å; L65-Q67 VanDerWaalsContact C-N 3.33Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-K69 WeakPolarHBondContact O-CG 3.42Å; L65-K69 PolarHBondContact O-N 3.09Å; L65-I121 HydrophobicContact CD1-CG2 4.34Å; L65-L124 HydrophobicContact CB-CD2 3.8Å; L65-L124 HydrophobicContact CB-CG 4.44Å; L65-L124 HydrophobicContact CD1-CD2 4.35Å; L65-L124 HydrophobicContact CD1-CG 4.47Å; L65-H125 WeakPolarHBondContact CD2-CE1 3.36Å; L65-L128 HydrophobicContact CD2-CD1 4.22Å |
| 66 | S | 93.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | Y62 T63 K69 R70 | Y62-S66 VanDerWaalsContact CE1-OG 3.3Å; Y62-S66 WeakPolarHBondContact CE1-OG 3.43Å; Y62-S66 PolarHBondContact O-N 3.38Å; Y62-S66 PolarHBondContact O-OG 3.03Å; T63-S66 PolarHBondContact O-N 3.11Å; S66-K69 PolarHBondContact O-N 3.35Å; S66-R70 WeakPolarHBondContact O-CB 3.32Å; S66-R70 PolarHBondContact O-N 3.06Å |
| 67 | Q | 94 | Very high | 93.5 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 25% | 0.248 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.2 | -72.9 | 172.7 | -5.4 | 0 | 0 | 112.4 | T63 G64 L65 R70 Y71 | T63-Q67 WeakPolarHBondContact O-CG 3.41Å; T63-Q67 PolarHBondContact O-N 2.96Å; G64-Q67 PolarHBondContact O-N 3.28Å; L65-Q67 VanDerWaalsContact C-N 3.33Å; Q67-R70 PolarHBondContact O-N 3.39Å; Q67-Y71 WeakPolarHBondContact O-CB 3.48Å; Q67-Y71 PolarHBondContact O-N 3.42Å |
| 68 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 173 | -85.5 | 167.6 | 0 | 0 | 0 | 112.5 | M14 A55 P58 G64 L65 R70 Y71 Y72 V117 N120 I121 L124 | M14-L68 HydrophobicContact CE-CD1 4.08Å; A55-L68 HydrophobicContact CB-CD2 4.08Å; A55-L68 VanDerWaalsContact O-CD2 3.31Å; A55-L68 WeakPolarHBondContact O-CD2 3.43Å; P58-L68 HydrophobicContact CB-CD1 4.07Å; P58-L68 HydrophobicContact CB-CG 4.11Å; P58-L68 HydrophobicContact CG-CD1 3.95Å; P58-L68 HydrophobicContact CG-CG 4.22Å; G64-L68 PolarHBondContact O-N 3.45Å; L65-L68 PolarHBondContact O-N 2.94Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 2.67Å; L68-Y71 PolarHBondContact O-N 2.73Å; L68-Y72 PolarHBondContact O-N 3.26Å; L68-V117 HydrophobicContact CD2-CG1 4.15Å; L68-N120 HydrophobicContact CD1-CB 4.25Å; L68-N120 HydrophobicContact CD2-CB 3.74Å; L68-I121 HydrophobicContact CB-CG1 3.74Å; L68-L124 HydrophobicContact CD1-CB 4.16Å; L68-L124 HydrophobicContact CD1-CD2 3.8Å |
| 69 | K | 96.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 179.3 | -69.4 | -177.4 | 178.1 | -175.6 | 0 | 111.8 | L65 S66 Y72 A73 I121 H125 F358 V365 | L65-K69 WeakPolarHBondContact O-CG 3.42Å; L65-K69 PolarHBondContact O-N 3.09Å; S66-K69 PolarHBondContact O-N 3.35Å; K69-Y72 PolarHBondContact O-N 2.7Å; K69-A73 PolarHBondContact O-N 2.62Å; K69-I121 HydrophobicContact CG-CD1 3.99Å; K69-I121 HydrophobicContact CG-CG1 4.19Å; K69-I121 HydrophobicContact CG-CG2 4.24Å; K69-H125 WeakPolarHBondContact CE-NE2 3.17Å; K69-H125 PolarHBondContact NZ-NE2 3.07Å; K69-F358 HydrophobicContact CB-CD2 4.4Å; K69-F358 HydrophobicContact CB-CE2 3.92Å; K69-F358 HydrophobicContact CB-CZ 4.14Å; K69-F358 HydrophobicContact CD-CB 4.42Å; K69-F358 HydrophobicContact CD-CD1 3.95Å; K69-F358 HydrophobicContact CD-CD2 3.92Å; K69-F358 HydrophobicContact CD-CE1 4.17Å; K69-F358 HydrophobicContact CD-CE2 4.14Å; K69-F358 HydrophobicContact CD-CG 3.84Å; K69-F358 HydrophobicContact CD-CZ 4.27Å; K69-F358 HydrophobicContact CG-CD1 4.29Å; K69-F358 HydrophobicContact CG-CD2 4.24Å; K69-F358 HydrophobicContact CG-CE1 3.98Å; K69-F358 HydrophobicContact CG-CE2 3.94Å; K69-F358 HydrophobicContact CG-CG 4.43Å; K69-F358 HydrophobicContact CG-CZ 3.8Å; K69-V365 HydrophobicContact CB-CG1 3.72Å |
| 70 | R | 95.6 | Very high | 92.7 | Very high | 83 Ų | 83 | 34.4 Ų | 34.4 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.1 | -172 | 167.6 | -177.9 | -167.8 | -7.8 | 111.9 | L51 S66 Q67 L68 A73 Q74 V365 R366 P368 | L51-R70 HydrophobicContact CD2-CG 4.19Å; S66-R70 WeakPolarHBondContact O-CB 3.32Å; S66-R70 PolarHBondContact O-N 3.06Å; Q67-R70 PolarHBondContact O-N 3.39Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 2.67Å; R70-A73 PolarHBondContact O-N 3.4Å; R70-Q74 HydrophobicContact CG-CG 4.37Å; R70-Q74 WeakPolarHBondContact O-CG 3.32Å; R70-Q74 PolarHBondContact O-N 3.02Å; R70-V365 WeakPolarHBondContact CA-O 3.44Å; R70-V365 WeakPolarHBondContact CB-O 3.43Å; R70-R366 WeakPolarHBondContact CG-O 3.18Å; R70-R366 PolarHBondContact NE-O 3.1Å; R70-P368 PolarHBondContact NH2-O 2.81Å |
| 71 | Y | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.7 | -174.4 | -123.9 | 0 | 0 | 0 | 111.9 | F48 L51 R52 A55 Q67 L68 A73 Q74 L75 E113 V117 | F48-Y71 HydrophobicContact CD2-CE2 4.11Å; F48-Y71 HydrophobicContact CE1-CE2 4.18Å; F48-Y71 HydrophobicContact CE2-CD2 4.37Å; F48-Y71 AromaticContact CE2-CE2 3.57Å; F48-Y71 HydrophobicContact CE2-CE2 3.57Å; F48-Y71 AromaticContact CZ-CE2 3.61Å; F48-Y71 HydrophobicContact CZ-CE2 3.61Å; F48-Y71 AromaticContact CZ-CZ 3.95Å; F48-Y71 WeakPolarHBondContact CZ-OH 3.49Å; L51-Y71 HydrophobicContact CB-CD2 4.34Å; L51-Y71 HydrophobicContact CD2-CD2 4.09Å; L51-Y71 HydrophobicContact CG-CD2 3.85Å; L51-Y71 HydrophobicContact CG-CG 4.31Å; R52-Y71 HydrophobicContact CB-CD2 4.39Å; R52-Y71 HydrophobicContact CB-CE1 4.14Å; R52-Y71 HydrophobicContact CB-CE2 3.67Å; R52-Y71 WeakPolarHBondContact CD-OH 3.38Å; R52-Y71 HydrophobicContact CG-CE1 3.86Å; R52-Y71 HydrophobicContact CG-CE2 4.24Å; R52-Y71 WeakPolarHBondContact CG-OH 3.44Å; A55-Y71 HydrophobicContact CB-CD1 3.38Å; A55-Y71 HydrophobicContact CB-CE1 4.27Å; A55-Y71 HydrophobicContact CB-CG 3.68Å; Q67-Y71 WeakPolarHBondContact O-CB 3.48Å; Q67-Y71 PolarHBondContact O-N 3.42Å; L68-Y71 PolarHBondContact O-N 2.73Å; Y71-A73 VanDerWaalsContact C-N 3.35Å; Y71-A73 PolarHBondContact O-N 3.29Å; Y71-Q74 PolarHBondContact O-N 3.03Å; Y71-L75 HydrophobicContact CD1-CD1 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.68Å; Y71-L75 HydrophobicContact CE1-CG 4.25Å; Y71-L75 HydrophobicContact CE2-CG 4.31Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y71-E113 HydrophobicContact CE1-CG 4.35Å; Y71-E113 WeakPolarHBondContact CE1-OE1 3.47Å; Y71-E113 PolarHBondContact OH-OE1 3.12Å; Y71-V117 HydrophobicContact CD1-CG1 4.16Å; Y71-V117 HydrophobicContact CD1-CG2 3.65Å; Y71-V117 HydrophobicContact CE1-CG2 3.73Å |
| 72 | Y | 95.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -45.3 | 173.5 | -178.1 | -88.7 | 0 | 0 | 0 | 112.5 | L68 K69 L75 Q76 E114 V117 M118 I121 H161 F358 H360 | L68-Y72 PolarHBondContact O-N 3.26Å; K69-Y72 PolarHBondContact O-N 2.7Å; Y72-L75 WeakPolarHBondContact O-CB 3.39Å; Y72-L75 PolarHBondContact O-N 3.45Å; Y72-Q76 HydrophobicContact CD1-CG 4.35Å; Y72-Q76 HydrophobicContact CE1-CG 3.87Å; Y72-Q76 PolarHBondContact O-N 3.1Å; Y72-Q76 VanDerWaalsContact O-N 3.15Å; Y72-E114 HydrophobicContact CE2-CB 4.24Å; Y72-V117 HydrophobicContact CD2-CG1 4.45Å; Y72-M118 HydrophobicContact CD1-CE 4.27Å; Y72-M118 HydrophobicContact CD2-CB 4.35Å; Y72-M118 HydrophobicContact CD2-CE 4.14Å; Y72-M118 HydrophobicContact CE1-CE 3.84Å; Y72-M118 HydrophobicContact CE2-CB 4.17Å; Y72-M118 HydrophobicContact CE2-CE 3.68Å; Y72-M118 HydrophobicContact CG-CE 4.43Å; Y72-I121 HydrophobicContact CG-CD1 4.31Å; Y72-H161 AromaticContact CE2-NE2 3.61Å; Y72-H161 AromaticContact CZ-NE2 3.69Å; Y72-H161 PolarHBondContact OH-CE1 3.14Å; Y72-H161 PolarHBondContact OH-NE2 3.18Å; Y72-F358 HydrophobicContact CD1-CZ 4.17Å; Y72-H360 HydrophobicContact CD1-CB 4.14Å; Y72-H360 HydrophobicContact CE1-CB 4.23Å |
| 73 | A | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K69 R70 Y71 L75 Q76 L77 H360 R366 | K69-A73 PolarHBondContact O-N 2.62Å; R70-A73 PolarHBondContact O-N 3.4Å; Y71-A73 VanDerWaalsContact C-N 3.35Å; Y71-A73 PolarHBondContact O-N 3.29Å; A73-L75 VanDerWaalsContact C-N 3.31Å; A73-L75 PolarHBondContact O-N 3.29Å; A73-Q76 WeakPolarHBondContact O-CB 3.4Å; A73-Q76 PolarHBondContact O-N 3.1Å; A73-L77 PolarHBondContact O-N 3.33Å; A73-H360 HydrophobicContact CB-CB 4.01Å; A73-H360 VanDerWaalsContact CB-O 3.3Å; A73-H360 WeakPolarHBondContact CB-O 3.43Å; A73-R366 HydrophobicContact CB-CB 3.58Å |
| 74 | Q | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.8 | -27.1 | 175.9 | -62.3 | -78.9 | -29.2 | 0 | 0 | 112.2 | L51 R70 Y71 L78 R366 P368 I370 | L51-Q74 HydrophobicContact CD2-CB 4.25Å; L51-Q74 HydrophobicContact CD2-CG 3.84Å; R70-Q74 HydrophobicContact CG-CG 4.37Å; R70-Q74 WeakPolarHBondContact O-CG 3.32Å; R70-Q74 PolarHBondContact O-N 3.02Å; Y71-Q74 PolarHBondContact O-N 3.03Å; Q74-L78 WeakPolarHBondContact O-CB 3.37Å; Q74-L78 PolarHBondContact O-N 3.11Å; Q74-R366 PolarHBondContact NE2-O 2.95Å; Q74-P368 PolarHBondContact NE2-O 3.47Å; Q74-I370 HydrophobicContact CG-CD1 4.14Å; Q74-I370 VanDerWaalsContact OE1-CG1 3.26Å |
| 75 | L | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 167.4 | -76.7 | 164.4 | 0 | 0 | 0 | 112.1 | F48 Y71 Y72 A73 L78 K79 I110 E113 E114 V117 | F48-L75 HydrophobicContact CE2-CD2 4.27Å; F48-L75 HydrophobicContact CZ-CD2 3.8Å; F48-L75 HydrophobicContact CZ-CG 4.47Å; Y71-L75 HydrophobicContact CD1-CD1 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.68Å; Y71-L75 HydrophobicContact CE1-CG 4.25Å; Y71-L75 HydrophobicContact CE2-CG 4.31Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y72-L75 WeakPolarHBondContact O-CB 3.39Å; Y72-L75 PolarHBondContact O-N 3.45Å; A73-L75 VanDerWaalsContact C-N 3.31Å; A73-L75 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 3Å; L75-K79 WeakPolarHBondContact O-CB 3.46Å; L75-K79 PolarHBondContact O-N 3.49Å; L75-I110 HydrophobicContact CD2-CD1 4.13Å; L75-I110 HydrophobicContact CD2-CG1 4.36Å; L75-E113 HydrophobicContact CD1-CG 3.85Å; L75-E113 HydrophobicContact CD2-CG 4.08Å; L75-E114 HydrophobicContact CB-CG 4.4Å; L75-V117 HydrophobicContact CD1-CG2 4.21Å |
| 76 | Q | 89.9 | Confident | 88 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.131 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.5 | -55.3 | -49.5 | -80.6 | 0 | 0 | 111.1 | Y72 A73 L78 K79 G80 E114 | Y72-Q76 HydrophobicContact CD1-CG 4.35Å; Y72-Q76 HydrophobicContact CE1-CG 3.87Å; Y72-Q76 PolarHBondContact O-N 3.1Å; Y72-Q76 VanDerWaalsContact O-N 3.15Å; A73-Q76 WeakPolarHBondContact O-CB 3.4Å; A73-Q76 PolarHBondContact O-N 3.1Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.88Å; Q76-K79 WeakPolarHBondContact O-CB 3.47Å; Q76-K79 PolarHBondContact O-N 2.59Å; Q76-G80 PolarHBondContact O-N 3.4Å; Q76-G80 VanDerWaalsContact O-N 3.1Å; Q76-E114 PolarHBondContact NE2-OE1 2.99Å |
| 77 | L | 88.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 175.7 | -72 | 163.7 | 0 | 0 | 0 | 112.5 | A73 G80 R81 D369 I606 | A73-L77 PolarHBondContact O-N 3.33Å; L77-G80 PolarHBondContact O-N 3.25Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L77-D369 HydrophobicContact CD1-CB 3.93Å; L77-I606 HydrophobicContact CD2-CD1 3.75Å; L77-I606 HydrophobicContact CD2-CG1 4.12Å; L77-I606 HydrophobicContact CG-CD1 4.5Å |
| 78 | L | 90 | Very high | 84.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.1 | -171.6 | 74.1 | 0 | 0 | 0 | 111.6 | L26 F48 Q74 L75 Q76 G80 R81 F82 F84 F371 | L26-L78 HydrophobicContact CD1-CD2 4.35Å; F48-L78 HydrophobicContact CE1-CD2 4.29Å; F48-L78 HydrophobicContact CE2-CD2 4.01Å; F48-L78 HydrophobicContact CZ-CD2 3.69Å; Q74-L78 WeakPolarHBondContact O-CB 3.37Å; Q74-L78 PolarHBondContact O-N 3.11Å; L75-L78 PolarHBondContact O-N 3Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.88Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.12Å; L78-R81 PolarHBondContact O-N 2.73Å; L78-F82 HydrophobicContact CD1-CD2 3.55Å; L78-F82 HydrophobicContact CD1-CE2 3.52Å; L78-F82 HydrophobicContact CG-CD2 3.98Å; L78-F82 HydrophobicContact CG-CE2 4.44Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.16Å; L78-F84 HydrophobicContact CD2-CZ 3.99Å; L78-F84 HydrophobicContact CG-CZ 4.23Å; L78-F371 HydrophobicContact CD1-CD2 3.87Å; L78-F371 HydrophobicContact CD1-CE2 3.72Å; L78-F371 HydrophobicContact CD1-CG 4.45Å; L78-F371 HydrophobicContact CD1-CZ 4.18Å |
| 79 | K | 86.7 | Confident | 83.2 | Confident | 79 Ų | 79 | 37.7 Ų | 37.7 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -30.9 | 178.7 | -170.3 | 169.4 | 172.6 | 177.7 | 0 | 112.7 | L75 Q76 R81 I110 E114 | L75-K79 WeakPolarHBondContact O-CB 3.46Å; L75-K79 PolarHBondContact O-N 3.49Å; Q76-K79 WeakPolarHBondContact O-CB 3.47Å; Q76-K79 PolarHBondContact O-N 2.59Å; K79-R81 PolarHBondContact O-N 3.1Å; K79-I110 HydrophobicContact CD-CG2 4.35Å; K79-E114 WeakPolarHBondContact CD-OE1 3.3Å; K79-E114 IonicContact NZ-OE1 2.68Å; K79-E114 PolarHBondContact NZ-OE1 3.18Å; K79-E114 IonicContact NZ-OE2 3.28Å; K79-E114 PolarHBondContact NZ-OE2 3.14Å |
| 80 | G | 82.3 | Confident | 82.1 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q76 L77 L78 L605 | Q76-G80 PolarHBondContact O-N 3.4Å; Q76-G80 VanDerWaalsContact O-N 3.1Å; L77-G80 PolarHBondContact O-N 3.25Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.12Å; G80-L605 WeakPolarHBondContact CA-O 3.49Å |
| 81 | R | 86.7 | Confident | 81.2 | Confident | 9 Ų | 9 | 35 Ų | 35 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -20.5 | -177.2 | -61.4 | 178.1 | -173.2 | -69.5 | 2.7 | 114.1 | Y34 L77 L78 K79 D369 F371 L374 P376 L605 | Y34-R81 PolarHBondContact OH-O 3.03Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L78-R81 PolarHBondContact O-N 2.73Å; K79-R81 PolarHBondContact O-N 3.1Å; R81-D369 IonicContact CZ-OD2 3.08Å; R81-D369 IonicContact NE-OD2 2.79Å; R81-D369 IonicContact NH2-OD2 2.71Å; R81-D369 PolarHBondContact NH2-OD2 3.47Å; R81-F371 VanDerWaalsContact CZ-O 3.27Å; R81-F371 PolarHBondContact NE-O 3.01Å; R81-L374 WeakPolarHBondContact CD-O 3.47Å; R81-L374 VanDerWaalsContact NH1-C 3.34Å; R81-L374 PolarHBondContact NH1-O 2.9Å; R81-P376 HydrophobicContact CG-CG 4.38Å; R81-L605 HydrophobicContact CG-CD2 3.78Å; R81-L605 VanDerWaalsContact CZ-CD1 3.41Å |
| 82 | F | 86.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | trans | -130.4 | 122.8 | -176.9 | -66.5 | -87.9 | 0 | 0 | 0 | 110.8 | L26 Y29 I30 L78 F84 L374 | L26-F82 HydrophobicContact CB-CD1 4.25Å; L26-F82 HydrophobicContact CB-CE1 3.86Å; L26-F82 HydrophobicContact CB-CZ 4.22Å; L26-F82 HydrophobicContact CD2-CB 4.32Å; L26-F82 HydrophobicContact CD2-CD1 3.79Å; L26-F82 HydrophobicContact CD2-CE1 4.28Å; L26-F82 HydrophobicContact CD2-CG 4.07Å; Y29-F82 AromaticContact CD1-CD1 3.46Å; Y29-F82 HydrophobicContact CD1-CD1 3.46Å; Y29-F82 VanDerWaalsContact CD1-CD1 3.46Å; Y29-F82 AromaticContact CD1-CE1 3.82Å; Y29-F82 HydrophobicContact CD1-CE1 3.82Å; Y29-F82 HydrophobicContact CE1-CD1 4.11Å; Y29-F82 HydrophobicContact CG-CD1 4.13Å; Y29-F82 HydrophobicContact CG-CE1 4.47Å; I30-F82 HydrophobicContact CD1-CZ 4.15Å; I30-F82 HydrophobicContact CG1-CE1 4Å; I30-F82 HydrophobicContact CG1-CZ 3.97Å; L78-F82 HydrophobicContact CD1-CD2 3.55Å; L78-F82 HydrophobicContact CD1-CE2 3.52Å; L78-F82 HydrophobicContact CG-CD2 3.98Å; L78-F82 HydrophobicContact CG-CE2 4.44Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.16Å; F82-F84 HydrophobicContact CB-CD2 4.24Å; F82-F84 HydrophobicContact CB-CE2 3.63Å; F82-F84 HydrophobicContact CB-CZ 3.93Å; F82-F84 WeakPolarHBondContact O-CD2 3.5Å; F82-F84 WeakPolarHBondContact O-CE2 3.48Å; F82-F84 PolarHBondContact O-N 3.39Å; F82-L374 HydrophobicContact CE1-CD2 4.33Å; F82-L374 HydrophobicContact CE2-CD2 3.68Å; F82-L374 HydrophobicContact CZ-CD2 3.4Å | ||
| 83 | H | 79.9 | Confident | 80.6 | Confident | 129 Ų | 129 | 38.2 Ų | 38.2 | 60% | 0.597 | 24% | 0.237 | S | C | * | . | trans | -72.7 | 114.7 | 167.1 | -61.6 | 89.8 | 0 | 0 | 0 | 108 | Y29 T88 T90 | Y29-H83 PolarHBondContact OH-ND1 3.33Å; H83-T88 HydrophobicContact CB-CG2 4.33Å; H83-T88 PolarHBondContact O-OG1 3.18Å; H83-T90 WeakPolarHBondContact O-CB 3.42Å; H83-T90 PolarHBondContact O-OG1 2.82Å | ||
| 84 | F | 77.8 | Confident | 80.5 | Confident | 42 Ų | 42 | 38.1 Ų | 38.1 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | trans | -91 | 103.7 | 177.5 | -72.3 | -88.9 | 0 | 0 | 0 | 109.6 | L26 L78 F82 W94 I110 | L26-F84 HydrophobicContact CD1-CE1 4.45Å; L26-F84 HydrophobicContact CD1-CZ 4.36Å; L26-F84 HydrophobicContact CD2-CE1 3.78Å; L26-F84 HydrophobicContact CD2-CZ 4.03Å; L78-F84 HydrophobicContact CD2-CZ 3.99Å; L78-F84 HydrophobicContact CG-CZ 4.23Å; F82-F84 HydrophobicContact CB-CD2 4.24Å; F82-F84 HydrophobicContact CB-CE2 3.63Å; F82-F84 HydrophobicContact CB-CZ 3.93Å; F82-F84 WeakPolarHBondContact O-CD2 3.5Å; F82-F84 WeakPolarHBondContact O-CE2 3.48Å; F82-F84 PolarHBondContact O-N 3.39Å; F84-W94 HydrophobicContact CE1-CZ2 4.47Å; F84-I110 HydrophobicContact CB-CG2 4.09Å; F84-I110 HydrophobicContact CD1-CB 4.26Å; F84-I110 HydrophobicContact CD2-CB 4.33Å; F84-I110 HydrophobicContact CD2-CD1 3.92Å; F84-I110 HydrophobicContact CD2-CG2 3.98Å; F84-I110 HydrophobicContact CE1-CD1 4.12Å; F84-I110 HydrophobicContact CE2-CD1 3.48Å; F84-I110 VanDerWaalsContact CE2-CD1 3.48Å; F84-I110 HydrophobicContact CG-CB 4.13Å; F84-I110 HydrophobicContact CG-CD1 4.43Å; F84-I110 HydrophobicContact CG-CG2 3.96Å; F84-I110 HydrophobicContact CZ-CD1 3.61Å | ||
| 85 | S | 71 | Confident | 80.5 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -164.3 | 144.2 | -179.5 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | A87 T88 C89 T90 | S85-A87 PolarHBondContact O-N 3.19Å; S85-A87 VanDerWaalsContact O-N 3.14Å; S85-A87 PolarHBondContact OG-N 3.34Å; S85-T88 PolarHBondContact N-OG1 3.24Å; S85-T88 PolarHBondContact O-N 3.48Å; S85-T88 PolarHBondContact O-OG1 3.25Å; S85-C89 PolarHBondContact O-N 3.07Å; S85-T90 PolarHBondContact N-OG1 3.43Å; S85-T90 PolarHBondContact O-OG1 3.23Å |
| 86 | A | 60.9 | Low | 80.6 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -55.9 | -31.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T88 C89 D91 | A86-T88 VanDerWaalsContact C-N 3.31Å; A86-T88 PolarHBondContact O-N 3.24Å; A86-C89 PolarHBondContact O-N 3.48Å; A86-D91 PolarHBondContact N-OD1 3.03Å |
| 87 | A | 61.2 | Low | 80.7 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 77% | 0.769 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -66.6 | -30.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S85 | S85-A87 PolarHBondContact O-N 3.19Å; S85-A87 VanDerWaalsContact O-N 3.14Å; S85-A87 PolarHBondContact OG-N 3.34Å |
| 88 | T | 60 | Low | 80.8 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 32% | 0.319 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -94 | 2.1 | 177.9 | 40.6 | 0 | 0 | 0 | 0 | 113.6 | Y29 H83 S85 A86 T90 | Y29-T88 HydrophobicContact CE2-CG2 4.31Å; H83-T88 HydrophobicContact CB-CG2 4.33Å; H83-T88 PolarHBondContact O-OG1 3.18Å; S85-T88 PolarHBondContact N-OG1 3.24Å; S85-T88 PolarHBondContact O-N 3.48Å; S85-T88 PolarHBondContact O-OG1 3.25Å; A86-T88 VanDerWaalsContact C-N 3.31Å; A86-T88 PolarHBondContact O-N 3.24Å; T88-T90 PolarHBondContact O-N 2.64Å; T88-T90 PolarHBondContact OG1-OG1 3.42Å |
| 89 | C | 61.7 | Low | 80.7 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 58% | 0.581 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.2 | -178.4 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | S85 A86 | S85-C89 PolarHBondContact O-N 3.07Å; A86-C89 PolarHBondContact O-N 3.48Å |
| 90 | T | 73 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -105.6 | 3.9 | -175.8 | 37 | 0 | 0 | 0 | 0 | 113.8 | L26 Y29 H83 S85 T88 V92 | L26-T90 HydrophobicContact CD2-CG2 4.36Å; Y29-T90 HydrophobicContact CD1-CG2 4.47Å; Y29-T90 HydrophobicContact CD2-CG2 3.38Å; Y29-T90 HydrophobicContact CE2-CG2 4.04Å; Y29-T90 HydrophobicContact CG-CG2 3.62Å; H83-T90 WeakPolarHBondContact O-CB 3.42Å; H83-T90 PolarHBondContact O-OG1 2.82Å; S85-T90 PolarHBondContact N-OG1 3.43Å; S85-T90 PolarHBondContact O-OG1 3.23Å; T88-T90 PolarHBondContact O-N 2.64Å; T88-T90 PolarHBondContact OG1-OG1 3.42Å; T90-V92 PolarHBondContact O-N 3.45Å | ||
| 91 | D | 76.7 | Confident | 80.3 | Confident | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -63.2 | 95 | -175.9 | -82.5 | 26.6 | 0 | 0 | 0 | 112.6 | A86 S108 | A86-D91 PolarHBondContact N-OD1 3.03Å; D91-S108 WeakPolarHBondContact OD2-CB 3.35Å; D91-S108 PolarHBondContact OD2-OG 3.41Å | ||
| 92 | V | 88.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | trans | -81.6 | 124.3 | 168.2 | 173.5 | 0 | 0 | 0 | 0 | 108.6 | P21 L23 P25 L26 T90 W94 S108 | P21-V92 HydrophobicContact CB-CG1 3.81Å; L23-V92 HydrophobicContact CD2-CG1 3.85Å; L23-V92 HydrophobicContact CD2-CG2 4.05Å; P25-V92 HydrophobicContact CB-CG2 4.45Å; P25-V92 HydrophobicContact CG-CG2 4.49Å; L26-V92 HydrophobicContact CD1-CG2 4.11Å; L26-V92 HydrophobicContact CD2-CG2 4.12Å; L26-V92 HydrophobicContact CG-CG2 3.8Å; T90-V92 PolarHBondContact O-N 3.45Å; V92-W94 HydrophobicContact CB-CH2 4.48Å; V92-W94 HydrophobicContact CB-CZ2 3.82Å; V92-W94 HydrophobicContact CG1-CD2 4.08Å; V92-W94 HydrophobicContact CG1-CE3 4.27Å; V92-W94 HydrophobicContact CG1-CH2 3.83Å; V92-W94 HydrophobicContact CG1-CZ2 3.58Å; V92-W94 HydrophobicContact CG1-CZ3 4.18Å; V92-W94 VanDerWaalsContact O-CD1 3.23Å; V92-W94 PolarHBondContact O-N 3.41Å; V92-W94 PolarHBondContact O-NE1 2.7Å; V92-W94 VanDerWaalsContact O-NE1 3.14Å; V92-S108 WeakPolarHBondContact O-CA 3.32Å | ||
| 93 | T | 90.8 | Very high | 79.8 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | trans | -79.2 | 115.5 | 175.4 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | K95 E106 | T93-K95 HydrophobicContact CG2-CG 4.29Å; T93-E106 HydrophobicContact CG2-CB 4.23Å | ||
| 94 | W | 92.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.8 | 173.4 | -47.2 | 98.1 | 0 | 0 | 0 | 109.9 | P21 L23 F48 F84 V92 E106 S107 I110 F112 E113 | P21-W94 HydrophobicContact CB-CE3 4.1Å; P21-W94 HydrophobicContact CB-CZ3 4.12Å; P21-W94 HydrophobicContact CG-CE3 4.13Å; P21-W94 HydrophobicContact CG-CZ3 3.82Å; L23-W94 HydrophobicContact CD2-CH2 4.49Å; F48-W94 HydrophobicContact CE1-CH2 4.42Å; F84-W94 HydrophobicContact CE1-CZ2 4.47Å; V92-W94 HydrophobicContact CB-CH2 4.48Å; V92-W94 HydrophobicContact CB-CZ2 3.82Å; V92-W94 HydrophobicContact CG1-CD2 4.08Å; V92-W94 HydrophobicContact CG1-CE3 4.27Å; V92-W94 HydrophobicContact CG1-CH2 3.83Å; V92-W94 HydrophobicContact CG1-CZ2 3.58Å; V92-W94 HydrophobicContact CG1-CZ3 4.18Å; V92-W94 VanDerWaalsContact O-CD1 3.23Å; V92-W94 PolarHBondContact O-N 3.41Å; V92-W94 PolarHBondContact O-NE1 2.7Å; V92-W94 VanDerWaalsContact O-NE1 3.14Å; W94-E106 WeakPolarHBondContact O-CA 3.41Å; W94-S107 PolarHBondContact N-O 3.29Å; W94-S107 PolarHBondContact O-N 2.93Å; W94-I110 HydrophobicContact CZ2-CG1 4.47Å; W94-F112 HydrophobicContact CB-CD1 4.15Å; W94-E113 HydrophobicContact CB-CB 4.38Å; W94-E113 HydrophobicContact CD2-CB 3.81Å; W94-E113 HydrophobicContact CD2-CG 4.09Å; W94-E113 HydrophobicContact CE3-CB 3.99Å; W94-E113 VanDerWaalsContact CE3-CD 3.5Å; W94-E113 HydrophobicContact CE3-CG 3.72Å; W94-E113 VanDerWaalsContact CE3-OE2 3.29Å; W94-E113 HydrophobicContact CG-CB 3.96Å; W94-E113 HydrophobicContact CZ3-CG 4.04Å |
| 95 | K | 93.3 | Very high | 80.9 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131 | -178.6 | -49.9 | -159.6 | -176 | -152.8 | 0 | 111.7 | S17 F19 T93 L104 L105 E106 | S17-K95 VanDerWaalsContact CB-O 3.31Å; S17-K95 WeakPolarHBondContact CB-O 3.3Å; S17-K95 PolarHBondContact OG-O 3.44Å; F19-K95 HydrophobicContact CB-CB 4.31Å; F19-K95 HydrophobicContact CD2-CB 4.15Å; F19-K95 HydrophobicContact CG-CB 4.31Å; F19-K95 HydrophobicContact CG-CD 4.41Å; T93-K95 HydrophobicContact CG2-CG 4.29Å; K95-L104 HydrophobicContact CB-CD1 4.2Å; K95-L104 HydrophobicContact CD-CD2 4.45Å; K95-L105 WeakPolarHBondContact CA-O 3.41Å; K95-E106 HydrophobicContact CD-CB 4.23Å; K95-E106 WeakPolarHBondContact CE-OE2 3.5Å; K95-E106 HydrophobicContact CG-CB 3.94Å; K95-E106 IonicContact NZ-OE2 2.63Å; K95-E106 PolarHBondContact NZ-OE2 3.1Å |
| 96 | W | 94.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.4 | 179.6 | -72.9 | 88.3 | 0 | 0 | 0 | 111.2 | K15 K16 C56 L105 F112 E113 V117 | K15-W96 HydrophobicContact CB-CE3 3.74Å; K15-W96 HydrophobicContact CB-CZ3 4.11Å; K16-W96 VanDerWaalsContact C-CE3 3.47Å; K16-W96 VanDerWaalsContact O-CE3 3.32Å; C56-W96 HydrophobicContact CB-CH2 4.42Å; W96-L105 PolarHBondContact N-O 2.89Å; W96-L105 WeakPolarHBondContact O-CB 3.44Å; W96-L105 PolarHBondContact O-N 3.5Å; W96-F112 HydrophobicContact CB-CE1 4.25Å; W96-F112 HydrophobicContact CB-CZ 3.93Å; W96-F112 AromaticContact CD1-CE1 3.88Å; W96-F112 HydrophobicContact CG-CE1 4.48Å; W96-F112 HydrophobicContact CG-CZ 4.45Å; W96-E113 PolarHBondContact NE1-OE2 3.03Å; W96-V117 HydrophobicContact CZ2-CG2 4.16Å |
| 97 | Q | 92.2 | Very high | 83.3 | Confident | 53 Ų | 53 | 47 Ų | 47 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.1 | 167.9 | -166.6 | 176.5 | -2.5 | 0 | 0 | 109.9 | K15 K16 D102 C103 | K15-Q97 PolarHBondContact NZ-O 3.17Å; K16-Q97 HydrophobicContact CB-CB 4.39Å; K16-Q97 PolarHBondContact O-N 3.25Å; Q97-D102 PolarHBondContact NE2-OD1 3.41Å; Q97-C103 WeakPolarHBondContact CA-O 2.96Å |
| 98 | D | 90 | Very high | 84.6 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | trans | -60.9 | 147.8 | 168.9 | -179.7 | -81.1 | 0 | 0 | 0 | 110.5 | F100 S101 C103 L105 T168 D169 | D98-F100 PolarHBondContact OD1-N 3.48Å; D98-S101 CarbonylContact C-O 3.59Å; D98-S101 WeakPolarHBondContact CB-O 3.28Å; D98-S101 WeakPolarHBondContact CB-OG 3.49Å; D98-S101 VanDerWaalsContact O-O 3.11Å; D98-S101 PolarHBondContact OD1-N 3.18Å; D98-S101 PolarHBondContact OD1-OG 3.31Å; D98-C103 HydrophobicContact CB-CB 4.11Å; D98-C103 PolarHBondContact N-O 2.81Å; D98-L105 HydrophobicContact CB-CD1 3.86Å; D98-L105 HydrophobicContact CB-CG 4.11Å; D98-T168 PolarHBondContact OD2-OG1 3.01Å; D98-D169 WeakPolarHBondContact CA-OD2 3.33Å; D98-D169 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 99 | I | 88.4 | Confident | 85.8 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.4 | -33.3 | -174.7 | -65.5 | 155.2 | 0 | 0 | 0 | 112.4 | P13 K15 Y119 D169 L170 | P13-I99 HydrophobicContact CG-CG2 3.65Å; K15-I99 HydrophobicContact CD-CD1 4.02Å; K15-I99 HydrophobicContact CD-CG1 3.82Å; K15-I99 HydrophobicContact CG-CD1 4.04Å; K15-I99 HydrophobicContact CG-CG1 3.34Å; I99-Y119 HydrophobicContact CD1-CD1 3.86Å; I99-Y119 HydrophobicContact CD1-CD2 4.05Å; I99-Y119 HydrophobicContact CD1-CE1 3.44Å; I99-Y119 VanDerWaalsContact CD1-CE1 3.44Å; I99-Y119 HydrophobicContact CD1-CE2 3.65Å; I99-Y119 HydrophobicContact CD1-CG 4.14Å; I99-Y119 HydrophobicContact CG1-CD1 4.26Å; I99-Y119 HydrophobicContact CG1-CE1 3.69Å; I99-Y119 HydrophobicContact CG2-CE1 4.37Å; I99-D169 HydrophobicContact CB-CB 4.12Å; I99-D169 HydrophobicContact CD1-CB 3.94Å; I99-D169 WeakPolarHBondContact CD1-OD2 3.43Å; I99-D169 HydrophobicContact CG1-CB 4.2Å; I99-D169 WeakPolarHBondContact CG1-OD2 3.39Å; I99-D169 PolarHBondContact N-OD2 3.32Å; I99-L170 HydrophobicContact CD1-CD2 3.8Å |
| 100 | F | 83.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -117.8 | -20.6 | -166.1 | -49.3 | -73.5 | 0 | 0 | 0 | 113.7 | D98 D169 L174 F178 V232 L233 Y236 W240 | D98-F100 PolarHBondContact OD1-N 3.48Å; F100-D169 HydrophobicContact CD2-CB 4.09Å; F100-D169 HydrophobicContact CE2-CB 4.14Å; F100-L174 HydrophobicContact CE2-CD2 3.62Å; F100-L174 HydrophobicContact CZ-CD2 4.03Å; F100-F178 HydrophobicContact CE1-CZ 4.27Å; F100-F178 AromaticContact CZ-CE2 3.87Å; F100-F178 HydrophobicContact CZ-CE2 3.87Å; F100-F178 AromaticContact CZ-CZ 3.68Å; F100-F178 HydrophobicContact CZ-CZ 3.68Å; F100-V232 WeakPolarHBondContact CB-O 3.34Å; F100-L233 HydrophobicContact CD1-CD2 3.71Å; F100-L233 HydrophobicContact CD2-CD2 4.22Å; F100-L233 HydrophobicContact CE1-CD2 3.59Å; F100-L233 HydrophobicContact CE2-CD2 4.13Å; F100-L233 HydrophobicContact CG-CD2 4.03Å; F100-L233 HydrophobicContact CZ-CD2 3.83Å; F100-Y236 AromaticContact CD1-CD2 3.78Å; F100-Y236 HydrophobicContact CD1-CD2 3.78Å; F100-Y236 HydrophobicContact CD1-CE2 4.19Å; F100-W240 HydrophobicContact CE1-CH2 4.08Å; F100-W240 HydrophobicContact CE1-CZ3 4.29Å |
| 101 | S | 78.5 | Confident | 88 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -116.6 | 153 | 170.3 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | D98 C103 | D98-S101 CarbonylContact C-O 3.59Å; D98-S101 WeakPolarHBondContact CB-O 3.28Å; D98-S101 WeakPolarHBondContact CB-OG 3.49Å; D98-S101 VanDerWaalsContact O-O 3.11Å; D98-S101 PolarHBondContact OD1-N 3.18Å; D98-S101 PolarHBondContact OD1-OG 3.31Å; S101-C103 PolarHBondContact O-N 3.06Å; S101-C103 WeakPolarHBondContact OG-CB 3.17Å |
| 102 | D | 76.2 | Confident | 88.7 | Confident | 151 Ų | 151 | 41.9 Ų | 41.9 | 81% | 0.807 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -78.1 | 31.7 | 174.3 | -60.2 | -63.6 | 0 | 0 | 0 | 112.7 | Q97 | Q97-D102 PolarHBondContact NE2-OD1 3.41Š|
| 103 | C | 86 | Confident | 89 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | trans | -80.7 | 141.3 | 179.3 | -165 | 0 | 0 | 0 | 0 | 110.9 | Q97 D98 S101 | Q97-C103 WeakPolarHBondContact CA-O 2.96Å; D98-C103 HydrophobicContact CB-CB 4.11Å; D98-C103 PolarHBondContact N-O 2.81Å; S101-C103 PolarHBondContact O-N 3.06Å; S101-C103 WeakPolarHBondContact OG-CB 3.17Å | ||
| 104 | L | 90.2 | Very high | 89.1 | Confident | 78 Ų | 78 | 38.7 Ų | 38.7 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.7 | 171.5 | -175.7 | 64.1 | 0 | 0 | 0 | 109.5 | F19 K95 | F19-L104 HydrophobicContact CD2-CD1 4.03Å; F19-L104 HydrophobicContact CD2-CD2 4.42Å; F19-L104 HydrophobicContact CE2-CD1 3.59Å; F19-L104 HydrophobicContact CE2-CD2 3.55Å; F19-L104 HydrophobicContact CE2-CG 4.25Å; F19-L104 HydrophobicContact CZ-CD1 4.49Å; F19-L104 HydrophobicContact CZ-CD2 3.61Å; K95-L104 HydrophobicContact CB-CD1 4.2Å; K95-L104 HydrophobicContact CD-CD2 4.45Å |
| 105 | L | 91.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 140.9 | 178.5 | -54.4 | 179.3 | 0 | 0 | 0 | 109.7 | K95 W96 D98 F112 | K95-L105 WeakPolarHBondContact CA-O 3.41Å; W96-L105 PolarHBondContact N-O 2.89Å; W96-L105 WeakPolarHBondContact O-CB 3.44Å; W96-L105 PolarHBondContact O-N 3.5Å; D98-L105 HydrophobicContact CB-CD1 3.86Å; D98-L105 HydrophobicContact CB-CG 4.11Å; L105-F112 HydrophobicContact CB-CZ 3.79Å |
| 106 | E | 91 | Very high | 89.4 | Confident | 110 Ų | 110 | 35.7 Ų | 35.7 | 51% | 0.514 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.7 | -179.6 | 62.1 | -177.1 | -156.6 | 0 | 0 | 112.7 | T93 W94 K95 | T93-E106 HydrophobicContact CG2-CB 4.23Å; W94-E106 WeakPolarHBondContact O-CA 3.41Å; K95-E106 HydrophobicContact CD-CB 4.23Å; K95-E106 WeakPolarHBondContact CE-OE2 3.5Å; K95-E106 HydrophobicContact CG-CB 3.94Å; K95-E106 IonicContact NZ-OE2 2.63Å; K95-E106 PolarHBondContact NZ-OE2 3.1Å |
| 107 | S | 90 | Very high | 89.4 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 149.4 | 178.4 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | W94 D109 S165 | W94-S107 PolarHBondContact N-O 3.29Å; W94-S107 PolarHBondContact O-N 2.93Å; S107-D109 PolarHBondContact OG-N 2.96Å; S107-S165 PolarHBondContact OG-O 2.98Å |
| 108 | S | 88.3 | Confident | 89.6 | Confident | 46 Ų | 46 | 33.2 Ų | 33.2 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -87.3 | -10.6 | 171.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D91 V92 I110 | D91-S108 WeakPolarHBondContact OD2-CB 3.35Å; D91-S108 PolarHBondContact OD2-OG 3.41Å; V92-S108 WeakPolarHBondContact O-CA 3.32Å; S108-I110 PolarHBondContact O-N 3.38Å |
| 109 | D | 86.8 | Confident | 90 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | trans | -72.5 | 120.1 | 178.7 | -170 | -20.1 | 0 | 0 | 0 | 110.6 | S107 R111 F112 | S107-D109 PolarHBondContact OG-N 2.96Å; D109-R111 PolarHBondContact O-N 2.94Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 VanDerWaalsContact OD1-CB 3.25Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 VanDerWaalsContact OD1-CG 3.3Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 PolarHBondContact OD1-N 3.28Å; D109-R111 IonicContact OD1-NE 2.94Å; D109-R111 PolarHBondContact OD1-NE 3.42Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 3.45Å; D109-R111 PolarHBondContact OD2-NE 3.42Å; D109-R111 IonicContact OD2-NH2 2.76Å; D109-R111 PolarHBondContact OD2-NH2 3.34Å; D109-F112 VanDerWaalsContact O-CB 3.26Å; D109-F112 WeakPolarHBondContact O-CB 3.45Å; D109-F112 PolarHBondContact O-N 2.92Å | ||
| 110 | I | 89.3 | Confident | 90.4 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -25.9 | 176.9 | -173 | 164.3 | 0 | 0 | 0 | 112.5 | L75 K79 F84 W94 S108 F112 E113 E114 | L75-I110 HydrophobicContact CD2-CD1 4.13Å; L75-I110 HydrophobicContact CD2-CG1 4.36Å; K79-I110 HydrophobicContact CD-CG2 4.35Å; F84-I110 HydrophobicContact CB-CG2 4.09Å; F84-I110 HydrophobicContact CD1-CB 4.26Å; F84-I110 HydrophobicContact CD2-CB 4.33Å; F84-I110 HydrophobicContact CD2-CD1 3.92Å; F84-I110 HydrophobicContact CD2-CG2 3.98Å; F84-I110 HydrophobicContact CE1-CD1 4.12Å; F84-I110 HydrophobicContact CE2-CD1 3.48Å; F84-I110 VanDerWaalsContact CE2-CD1 3.48Å; F84-I110 HydrophobicContact CG-CB 4.13Å; F84-I110 HydrophobicContact CG-CD1 4.43Å; F84-I110 HydrophobicContact CG-CG2 3.96Å; F84-I110 HydrophobicContact CZ-CD1 3.61Å; W94-I110 HydrophobicContact CZ2-CG1 4.47Å; S108-I110 PolarHBondContact O-N 3.38Å; I110-F112 PolarHBondContact O-N 3.18Å; I110-F112 VanDerWaalsContact O-N 3.15Å; I110-E113 WeakPolarHBondContact O-CB 3.45Å; I110-E113 PolarHBondContact O-N 3.39Å; I110-E114 HydrophobicContact CG1-CG 4.27Å; I110-E114 WeakPolarHBondContact O-CG 3.22Å; I110-E114 PolarHBondContact O-N 3.47Å |
| 111 | R | 90.5 | Very high | 91.1 | Very high | 84 Ų | 84 | 30.9 Ų | 30.9 | 32% | 0.317 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -22.5 | 174.7 | -61.6 | -179.7 | -62.2 | 150.7 | 2.6 | 112.8 | D109 E114 A115 V164 | D109-R111 PolarHBondContact O-N 2.94Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 VanDerWaalsContact OD1-CB 3.25Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 VanDerWaalsContact OD1-CG 3.3Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 PolarHBondContact OD1-N 3.28Å; D109-R111 IonicContact OD1-NE 2.94Å; D109-R111 PolarHBondContact OD1-NE 3.42Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 3.45Å; D109-R111 PolarHBondContact OD2-NE 3.42Å; D109-R111 IonicContact OD2-NH2 2.76Å; D109-R111 PolarHBondContact OD2-NH2 3.34Å; R111-E114 VanDerWaalsContact CA-OE2 3.31Å; R111-E114 WeakPolarHBondContact CA-OE2 3.3Å; R111-E114 PolarHBondContact N-OE2 2.84Å; R111-A115 WeakPolarHBondContact O-CB 3.21Å; R111-A115 PolarHBondContact O-N 3.16Å; R111-V164 HydrophobicContact CB-CG2 3.92Å |
| 112 | F | 92.5 | Very high | 92 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.2 | -39.7 | 173 | -174.8 | -132.8 | 0 | 0 | 0 | 112.5 | W94 W96 L105 D109 I110 S116 V164 A167 | W94-F112 HydrophobicContact CB-CD1 4.15Å; W96-F112 HydrophobicContact CB-CE1 4.25Å; W96-F112 HydrophobicContact CB-CZ 3.93Å; W96-F112 AromaticContact CD1-CE1 3.88Å; W96-F112 HydrophobicContact CG-CE1 4.48Å; W96-F112 HydrophobicContact CG-CZ 4.45Å; L105-F112 HydrophobicContact CB-CZ 3.79Å; D109-F112 VanDerWaalsContact O-CB 3.26Å; D109-F112 WeakPolarHBondContact O-CB 3.45Å; D109-F112 PolarHBondContact O-N 2.92Å; I110-F112 PolarHBondContact O-N 3.18Å; I110-F112 VanDerWaalsContact O-N 3.15Å; F112-S116 VanDerWaalsContact O-CB 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.26Å; F112-S116 PolarHBondContact O-N 3Å; F112-S116 PolarHBondContact O-OG 3.37Å; F112-V164 HydrophobicContact CB-CG1 3.68Å; F112-V164 HydrophobicContact CD2-CG1 3.97Å; F112-V164 HydrophobicContact CG-CG1 4.19Å; F112-A167 HydrophobicContact CD2-CB 4.11Å; F112-A167 HydrophobicContact CE2-CB 3.91Å |
| 113 | E | 94 | Very high | 93 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.8 | -47.7 | 173.2 | -171.1 | 74 | -167.1 | 0 | 0 | 110.1 | R52 Y71 L75 W94 W96 I110 A115 S116 V117 | R52-E113 IonicContact CZ-OE1 2.96Å; R52-E113 VanDerWaalsContact CZ-OE1 3.28Å; R52-E113 IonicContact CZ-OE2 3.21Å; R52-E113 IonicContact NE-OE1 3.25Å; R52-E113 PolarHBondContact NE-OE1 3.27Å; R52-E113 IonicContact NE-OE2 2.68Å; R52-E113 IonicContact NH2-OE1 2.78Å; R52-E113 PolarHBondContact NH2-OE1 3.49Å; R52-E113 VanDerWaalsContact NH2-OE1 3.11Å; R52-E113 IonicContact NH2-OE2 3.37Å; R52-E113 PolarHBondContact NH2-OE2 3.48Å; Y71-E113 HydrophobicContact CE1-CG 4.35Å; Y71-E113 WeakPolarHBondContact CE1-OE1 3.47Å; Y71-E113 PolarHBondContact OH-OE1 3.12Å; L75-E113 HydrophobicContact CD1-CG 3.85Å; L75-E113 HydrophobicContact CD2-CG 4.08Å; W94-E113 HydrophobicContact CB-CB 4.38Å; W94-E113 HydrophobicContact CD2-CB 3.81Å; W94-E113 HydrophobicContact CD2-CG 4.09Å; W94-E113 HydrophobicContact CE3-CB 3.99Å; W94-E113 VanDerWaalsContact CE3-CD 3.5Å; W94-E113 HydrophobicContact CE3-CG 3.72Å; W94-E113 VanDerWaalsContact CE3-OE2 3.29Å; W94-E113 HydrophobicContact CG-CB 3.96Å; W94-E113 HydrophobicContact CZ3-CG 4.04Å; W96-E113 PolarHBondContact NE1-OE2 3.03Å; I110-E113 WeakPolarHBondContact O-CB 3.45Å; I110-E113 PolarHBondContact O-N 3.39Å; E113-A115 PolarHBondContact O-N 3Å; E113-S116 PolarHBondContact O-N 3.37Å; E113-V117 WeakPolarHBondContact O-CB 3.49Å; E113-V117 VanDerWaalsContact O-CG2 3.28Å; E113-V117 WeakPolarHBondContact O-CG2 3.15Å; E113-V117 PolarHBondContact O-N 2.91Å |
| 114 | E | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58 | -45.1 | 177.8 | -64.3 | 171.8 | 100.2 | 0 | 0 | 112.3 | Y72 L75 Q76 K79 I110 R111 M118 H161 | Y72-E114 HydrophobicContact CE2-CB 4.24Å; L75-E114 HydrophobicContact CB-CG 4.4Å; Q76-E114 PolarHBondContact NE2-OE1 2.99Å; K79-E114 WeakPolarHBondContact CD-OE1 3.3Å; K79-E114 IonicContact NZ-OE1 2.68Å; K79-E114 PolarHBondContact NZ-OE1 3.18Å; K79-E114 IonicContact NZ-OE2 3.28Å; K79-E114 PolarHBondContact NZ-OE2 3.14Å; I110-E114 HydrophobicContact CG1-CG 4.27Å; I110-E114 WeakPolarHBondContact O-CG 3.22Å; I110-E114 PolarHBondContact O-N 3.47Å; R111-E114 VanDerWaalsContact CA-OE2 3.31Å; R111-E114 WeakPolarHBondContact CA-OE2 3.3Å; R111-E114 PolarHBondContact N-OE2 2.84Å; E114-M118 WeakPolarHBondContact O-CB 3.43Å; E114-M118 PolarHBondContact O-N 3.49Å; E114-H161 IonicContact OE1-CE1 2.72Å |
| 115 | A | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R111 E113 V117 M118 Y119 L157 H161 L170 | R111-A115 WeakPolarHBondContact O-CB 3.21Å; R111-A115 PolarHBondContact O-N 3.16Å; E113-A115 PolarHBondContact O-N 3Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.2Å; A115-M118 PolarHBondContact O-N 2.86Å; A115-Y119 WeakPolarHBondContact O-CB 3.3Å; A115-Y119 PolarHBondContact O-N 3.31Å; A115-L157 HydrophobicContact CB-CD1 4.31Å; A115-L157 HydrophobicContact CB-CG 4.24Å; A115-L157 WeakPolarHBondContact O-CD1 3.45Å; A115-H161 HydrophobicContact CB-CB 3.92Å; A115-L170 HydrophobicContact CB-CD1 3.93Å |
| 116 | S | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 179.2 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | K15 F112 E113 N120 | K15-S116 WeakPolarHBondContact CE-OG 3.49Å; F112-S116 VanDerWaalsContact O-CB 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.26Å; F112-S116 PolarHBondContact O-N 3Å; F112-S116 PolarHBondContact O-OG 3.37Å; E113-S116 PolarHBondContact O-N 3.37Å; S116-N120 PolarHBondContact O-N 3.41Å |
| 117 | V | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -71.4 | -42.7 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | L68 Y71 Y72 L75 W96 E113 A115 Y119 N120 I121 | L68-V117 HydrophobicContact CD2-CG1 4.15Å; Y71-V117 HydrophobicContact CD1-CG1 4.16Å; Y71-V117 HydrophobicContact CD1-CG2 3.65Å; Y71-V117 HydrophobicContact CE1-CG2 3.73Å; Y72-V117 HydrophobicContact CD2-CG1 4.45Å; L75-V117 HydrophobicContact CD1-CG2 4.21Å; W96-V117 HydrophobicContact CZ2-CG2 4.16Å; E113-V117 WeakPolarHBondContact O-CB 3.49Å; E113-V117 VanDerWaalsContact O-CG2 3.28Å; E113-V117 WeakPolarHBondContact O-CG2 3.15Å; E113-V117 PolarHBondContact O-N 2.91Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.2Å; V117-Y119 VanDerWaalsContact C-N 3.31Å; V117-Y119 PolarHBondContact O-N 2.97Å; V117-N120 PolarHBondContact O-N 2.88Å; V117-N120 VanDerWaalsContact O-N 3.13Å; V117-I121 HydrophobicContact CG1-CD1 4.35Å; V117-I121 WeakPolarHBondContact O-CG1 2.96Å; V117-I121 PolarHBondContact O-N 2.85Å |
| 118 | M | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 175.6 | -175.7 | 63 | 78.4 | 0 | 0 | 112 | Y72 E114 A115 I121 A122 W152 A153 T156 L157 F358 | Y72-M118 HydrophobicContact CD1-CE 4.27Å; Y72-M118 HydrophobicContact CD2-CB 4.35Å; Y72-M118 HydrophobicContact CD2-CE 4.14Å; Y72-M118 HydrophobicContact CE1-CE 3.84Å; Y72-M118 HydrophobicContact CE2-CB 4.17Å; Y72-M118 HydrophobicContact CE2-CE 3.68Å; Y72-M118 HydrophobicContact CG-CE 4.43Å; E114-M118 WeakPolarHBondContact O-CB 3.43Å; E114-M118 PolarHBondContact O-N 3.49Å; A115-M118 PolarHBondContact O-N 2.86Å; M118-I121 WeakPolarHBondContact O-CB 3.31Å; M118-I121 PolarHBondContact O-N 3.02Å; M118-I121 HydrophobicContact SD-CD1 4.37Å; M118-A122 PolarHBondContact O-N 3.33Å; M118-W152 HydrophobicContact CE-CZ3 4.41Å; M118-W152 HydrophobicContact SD-CZ3 4.47Å; M118-A153 HydrophobicContact CG-CB 4.37Å; M118-A153 WeakPolarHBondContact CG-O 3.29Å; M118-A153 HydrophobicContact SD-CB 3.66Å; M118-T156 HydrophobicContact CE-CG2 4.2Å; M118-L157 HydrophobicContact CB-CB 4.45Å; M118-L157 HydrophobicContact CB-CD1 4.25Å; M118-L157 HydrophobicContact CG-CB 3.92Å; M118-L157 HydrophobicContact CG-CD1 4.42Å; M118-F358 HydrophobicContact CE-CE1 4.32Å; M118-F358 HydrophobicContact CE-CZ 4.43Å; M118-F358 HydrophobicContact SD-CE1 4.36Å |
| 119 | Y | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 170.7 | -177.9 | -94.1 | 0 | 0 | 0 | 111.3 | L12 P13 K15 I99 A115 V117 I121 A122 A123 L154 L170 M175 F178 | L12-Y119 HydrophobicContact CD1-CE2 4.48Å; P13-Y119 VanDerWaalsContact O-CE1 3.27Å; P13-Y119 WeakPolarHBondContact O-CE1 3.21Å; P13-Y119 PolarHBondContact O-OH 3.29Å; K15-Y119 HydrophobicContact CD-CD1 3.98Å; K15-Y119 HydrophobicContact CD-CG 4.42Å; K15-Y119 HydrophobicContact CG-CD1 3.84Å; K15-Y119 HydrophobicContact CG-CE1 4.2Å; I99-Y119 HydrophobicContact CD1-CD1 3.86Å; I99-Y119 HydrophobicContact CD1-CD2 4.05Å; I99-Y119 HydrophobicContact CD1-CE1 3.44Å; I99-Y119 VanDerWaalsContact CD1-CE1 3.44Å; I99-Y119 HydrophobicContact CD1-CE2 3.65Å; I99-Y119 HydrophobicContact CD1-CG 4.14Å; I99-Y119 HydrophobicContact CG1-CD1 4.26Å; I99-Y119 HydrophobicContact CG1-CE1 3.69Å; I99-Y119 HydrophobicContact CG2-CE1 4.37Å; A115-Y119 WeakPolarHBondContact O-CB 3.3Å; A115-Y119 PolarHBondContact O-N 3.31Å; V117-Y119 VanDerWaalsContact C-N 3.31Å; V117-Y119 PolarHBondContact O-N 2.97Å; Y119-I121 VanDerWaalsContact C-N 3.32Å; Y119-I121 PolarHBondContact O-N 2.89Å; Y119-A122 WeakPolarHBondContact O-CB 3.47Å; Y119-A122 PolarHBondContact O-N 3.44Å; Y119-A122 VanDerWaalsContact O-N 3.11Å; Y119-A123 HydrophobicContact CE1-CB 4.17Å; Y119-A123 WeakPolarHBondContact O-CB 3.42Å; Y119-A123 PolarHBondContact O-N 3.42Å; Y119-L154 HydrophobicContact CD2-CD2 4.07Å; Y119-L154 HydrophobicContact CE2-CD2 4.19Å; Y119-L170 HydrophobicContact CD2-CD2 3.87Å; Y119-L170 HydrophobicContact CG-CD2 3.97Å; Y119-M175 HydrophobicContact CD2-CE 4.14Å; Y119-M175 HydrophobicContact CD2-SD 3.66Å; Y119-M175 HydrophobicContact CE2-CE 3.87Å; Y119-M175 HydrophobicContact CE2-SD 3.93Å; Y119-F178 HydrophobicContact CE2-CD2 4.3Å; Y119-F178 HydrophobicContact CE2-CE2 4.41Å |
| 120 | N | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.2 | -31.9 | 176.5 | -85.4 | 4 | 0 | 0 | 0 | 113.3 | M14 K15 L68 S116 V117 L124 | M14-N120 HydrophobicContact CE-CB 3.83Å; K15-N120 PolarHBondContact N-OD1 3.44Å; K15-N120 PolarHBondContact O-ND2 2.94Å; L68-N120 HydrophobicContact CD1-CB 4.25Å; L68-N120 HydrophobicContact CD2-CB 3.74Å; S116-N120 PolarHBondContact O-N 3.41Å; V117-N120 PolarHBondContact O-N 2.88Å; V117-N120 VanDerWaalsContact O-N 3.13Å; N120-L124 WeakPolarHBondContact O-CB 3.34Å; N120-L124 PolarHBondContact O-N 3.48Å |
| 121 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 169.8 | -69 | 165.2 | 0 | 0 | 0 | 110.4 | L65 L68 K69 Y72 V117 M118 Y119 H125 A153 F358 | L65-I121 HydrophobicContact CD1-CG2 4.34Å; L68-I121 HydrophobicContact CB-CG1 3.74Å; K69-I121 HydrophobicContact CG-CD1 3.99Å; K69-I121 HydrophobicContact CG-CG1 4.19Å; K69-I121 HydrophobicContact CG-CG2 4.24Å; Y72-I121 HydrophobicContact CG-CD1 4.31Å; V117-I121 HydrophobicContact CG1-CD1 4.35Å; V117-I121 WeakPolarHBondContact O-CG1 2.96Å; V117-I121 PolarHBondContact O-N 2.85Å; M118-I121 WeakPolarHBondContact O-CB 3.31Å; M118-I121 PolarHBondContact O-N 3.02Å; M118-I121 HydrophobicContact SD-CD1 4.37Å; Y119-I121 VanDerWaalsContact C-N 3.32Å; Y119-I121 PolarHBondContact O-N 2.89Å; I121-H125 WeakPolarHBondContact O-CB 3.21Å; I121-H125 PolarHBondContact O-CD2 3.23Å; I121-H125 PolarHBondContact O-N 3.21Å; I121-A153 HydrophobicContact CG2-CB 4.39Å; I121-F358 HydrophobicContact CD1-CE1 4.11Å; I121-F358 HydrophobicContact CD1-CZ 3.94Å; I121-F358 HydrophobicContact CG2-CE1 4.07Å |
| 122 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.3 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M118 Y119 H125 S126 A150 A153 L154 | M118-A122 PolarHBondContact O-N 3.33Å; Y119-A122 WeakPolarHBondContact O-CB 3.47Å; Y119-A122 PolarHBondContact O-N 3.44Å; Y119-A122 VanDerWaalsContact O-N 3.11Å; A122-H125 PolarHBondContact O-N 3.44Å; A122-S126 PolarHBondContact O-N 3.42Å; A122-A150 WeakPolarHBondContact O-CB 3.32Å; A122-A153 HydrophobicContact CB-CB 3.78Å; A122-L154 HydrophobicContact CB-CD1 4.15Å; A122-L154 HydrophobicContact CB-CD2 4.07Å; A122-L154 HydrophobicContact CB-CG 3.66Å |
| 123 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L12 P13 M14 Y119 H125 S126 I127 | L12-A123 HydrophobicContact CB-CB 4.11Å; P13-A123 WeakPolarHBondContact O-CB 3.21Å; M14-A123 HydrophobicContact CG-CB 3.83Å; Y119-A123 HydrophobicContact CE1-CB 4.17Å; Y119-A123 WeakPolarHBondContact O-CB 3.42Å; Y119-A123 PolarHBondContact O-N 3.42Å; A123-H125 PolarHBondContact O-N 3.09Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 3.41Å; A123-S126 VanDerWaalsContact O-N 3.07Å; A123-S126 PolarHBondContact O-OG 2.76Å; A123-I127 VanDerWaalsContact O-CG1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 2.73Å |
| 124 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 176.1 | -178.2 | 55.9 | 0 | 0 | 0 | 112 | M14 V60 L65 L68 N120 S126 I127 L128 | M14-L124 HydrophobicContact CE-CB 3.92Å; M14-L124 HydrophobicContact SD-CB 4.25Å; V60-L124 HydrophobicContact CB-CD1 4.49Å; V60-L124 HydrophobicContact CG1-CD1 4.08Å; L65-L124 HydrophobicContact CB-CD2 3.8Å; L65-L124 HydrophobicContact CB-CG 4.44Å; L65-L124 HydrophobicContact CD1-CD2 4.35Å; L65-L124 HydrophobicContact CD1-CG 4.47Å; L68-L124 HydrophobicContact CD1-CB 4.16Å; L68-L124 HydrophobicContact CD1-CD2 3.8Å; N120-L124 WeakPolarHBondContact O-CB 3.34Å; N120-L124 PolarHBondContact O-N 3.48Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 3.33Å; L124-I127 PolarHBondContact O-N 2.68Å; L124-L128 HydrophobicContact CD1-CD1 4.37Å; L124-L128 HydrophobicContact CD1-CD2 4.42Å; L124-L128 HydrophobicContact CD1-CG 4.09Å; L124-L128 HydrophobicContact CG-CD1 4.21Å; L124-L128 HydrophobicContact CG-CG 4.39Å; L124-L128 WeakPolarHBondContact O-CG 3.22Å; L124-L128 PolarHBondContact O-N 2.81Å |
| 125 | H | 98.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | 171.8 | -95.4 | -56.6 | 0 | 0 | 0 | 112.2 | L65 K69 I121 A122 A123 I127 L128 G129 H146 C149 A150 | L65-H125 WeakPolarHBondContact CD2-CE1 3.36Å; K69-H125 WeakPolarHBondContact CE-NE2 3.17Å; K69-H125 PolarHBondContact NZ-NE2 3.07Å; I121-H125 WeakPolarHBondContact O-CB 3.21Å; I121-H125 PolarHBondContact O-CD2 3.23Å; I121-H125 PolarHBondContact O-N 3.21Å; A122-H125 PolarHBondContact O-N 3.44Å; A123-H125 PolarHBondContact O-N 3.09Å; H125-I127 PolarHBondContact O-N 3.34Å; H125-L128 PolarHBondContact O-N 3.01Å; H125-G129 PolarHBondContact O-N 3.33Å; H125-H146 AromaticContact CE1-ND1 3.72Å; H125-H146 AromaticContact ND1-CG 3.97Å; H125-H146 AromaticContact ND1-ND1 3.28Å; H125-H146 PolarHBondContact ND1-ND1 3.21Å; H125-H146 WeakPolarHBondContact O-CB 3.26Å; H125-C149 VanDerWaalsContact CD2-CB 3.47Å; H125-C149 WeakPolarHBondContact CD2-CB 3.25Å; H125-C149 VanDerWaalsContact CE1-CB 3.45Å; H125-C149 WeakPolarHBondContact CE1-CB 3.46Å; H125-C149 VanDerWaalsContact NE2-CB 3.3Å; H125-C149 WeakPolarHBondContact NE2-CB 3.41Å; H125-A150 HydrophobicContact CB-CB 3.88Å |
| 126 | S | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 176 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | L12 A122 A123 L124 G129 V130 F147 M182 | L12-S126 PolarHBondContact N-OG 3.24Å; A122-S126 PolarHBondContact O-N 3.42Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 3.41Å; A123-S126 VanDerWaalsContact O-N 3.07Å; A123-S126 PolarHBondContact O-OG 2.76Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 3.33Å; S126-G129 PolarHBondContact O-N 3.18Å; S126-V130 WeakPolarHBondContact O-CG2 3.4Å; S126-V130 PolarHBondContact O-N 3.16Å; S126-F147 WeakPolarHBondContact O-CE1 3.4Å; S126-M182 WeakPolarHBondContact CB-SD 3.1Å |
| 127 | I | 96 | Very high | 94.6 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.8 | -64.4 | 162.1 | 0 | 0 | 0 | 110.7 | M14 V60 A123 L124 H125 V130 K131 M301 | M14-I127 HydrophobicContact CG-CD1 3.78Å; M14-I127 HydrophobicContact SD-CD1 3.89Å; V60-I127 HydrophobicContact CG1-CG2 3.46Å; V60-I127 VanDerWaalsContact CG1-CG2 3.46Å; A123-I127 VanDerWaalsContact O-CG1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 2.73Å; L124-I127 PolarHBondContact O-N 2.68Å; H125-I127 PolarHBondContact O-N 3.34Å; I127-V130 PolarHBondContact O-N 3.06Å; I127-K131 VanDerWaalsContact O-CB 3.3Å; I127-K131 WeakPolarHBondContact O-CB 3.31Å; I127-K131 PolarHBondContact O-N 3.26Å; I127-M301 HydrophobicContact CD1-CE 4.02Å; I127-M301 HydrophobicContact CD1-SD 3.63Å; I127-M301 HydrophobicContact CG1-CE 3.67Å; I127-M301 HydrophobicContact CG1-SD 3.83Å; I127-M301 HydrophobicContact CG2-CG 4.47Å |
| 128 | L | 96.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 175.6 | -63.7 | 174.7 | 0 | 0 | 0 | 111.8 | L65 L124 H125 V130 K131 E132 H146 | L65-L128 HydrophobicContact CD2-CD1 4.22Å; L124-L128 HydrophobicContact CD1-CD1 4.37Å; L124-L128 HydrophobicContact CD1-CD2 4.42Å; L124-L128 HydrophobicContact CD1-CG 4.09Å; L124-L128 HydrophobicContact CG-CD1 4.21Å; L124-L128 HydrophobicContact CG-CG 4.39Å; L124-L128 WeakPolarHBondContact O-CG 3.22Å; L124-L128 PolarHBondContact O-N 2.81Å; H125-L128 PolarHBondContact O-N 3.01Å; L128-V130 VanDerWaalsContact C-N 3.3Å; L128-V130 PolarHBondContact O-N 2.92Å; L128-K131 HydrophobicContact CD2-CD 4.3Å; L128-K131 WeakPolarHBondContact O-CB 3.47Å; L128-K131 PolarHBondContact O-N 3.09Å; L128-E132 PolarHBondContact O-N 2.93Å; L128-H146 WeakPolarHBondContact CB-CD2 3.45Å |
| 129 | G | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -31.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | H125 S126 F147 | H125-G129 PolarHBondContact O-N 3.33Å; S126-G129 PolarHBondContact O-N 3.18Å; G129-F147 WeakPolarHBondContact O-CZ 3.42Å |
| 130 | V | 93.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -78.4 | -31.2 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | A9 V10 S126 I127 L128 E132 F147 M302 | A9-V130 HydrophobicContact CB-CB 4.43Å; A9-V130 HydrophobicContact CB-CG2 3.69Å; V10-V130 VanDerWaalsContact C-CG2 3.45Å; V10-V130 WeakPolarHBondContact O-CG2 3.3Å; S126-V130 WeakPolarHBondContact O-CG2 3.4Å; S126-V130 PolarHBondContact O-N 3.16Å; I127-V130 PolarHBondContact O-N 3.06Å; L128-V130 VanDerWaalsContact C-N 3.3Å; L128-V130 PolarHBondContact O-N 2.92Å; V130-E132 VanDerWaalsContact C-N 3.32Å; V130-F147 HydrophobicContact CG2-CE1 4.11Å; V130-F147 HydrophobicContact CG2-CZ 4.07Å; V130-M302 WeakPolarHBondContact CG1-O 3.48Å |
| 131 | K | 91.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 34% | 0.343 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.9 | -31.9 | 177.6 | 175.6 | 165.5 | 176.1 | 172.2 | 0 | 111.9 | V60 I127 L128 M302 S304 | V60-K131 PolarHBondContact O-NZ 2.75Å; I127-K131 VanDerWaalsContact O-CB 3.3Å; I127-K131 WeakPolarHBondContact O-CB 3.31Å; I127-K131 PolarHBondContact O-N 3.26Å; L128-K131 HydrophobicContact CD2-CD 4.3Å; L128-K131 WeakPolarHBondContact O-CB 3.47Å; L128-K131 PolarHBondContact O-N 3.09Å; K131-M302 HydrophobicContact CB-CE 4.21Å; K131-M302 HydrophobicContact CB-SD 4.38Å; K131-M302 HydrophobicContact CD-CE 3.89Å; K131-M302 HydrophobicContact CD-SD 4Å; K131-M302 HydrophobicContact CG-CE 3.66Å; K131-M302 HydrophobicContact CG-SD 4.21Å; K131-S304 WeakPolarHBondContact O-CB 3.18Å; K131-S304 PolarHBondContact O-OG 3.41Å |
| 132 | E | 92.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -63.5 | 140.8 | 176 | -82.8 | -52.4 | 141.1 | 0 | 0 | 114.2 | L128 V130 R134 S139 I142 A143 S304 | L128-E132 PolarHBondContact O-N 2.93Å; V130-E132 VanDerWaalsContact C-N 3.32Å; E132-R134 HydrophobicContact CB-CG 4.46Å; E132-S139 WeakPolarHBondContact OE2-CB 3.49Å; E132-I142 HydrophobicContact CG-CB 4.28Å; E132-I142 HydrophobicContact CG-CG2 3.82Å; E132-A143 HydrophobicContact CB-CB 3.86Å; E132-A143 HydrophobicContact CG-CB 4.39Å; E132-S304 WeakPolarHBondContact O-CB 3.43Å |
| 133 | K | 87.4 | Confident | 94 | Very high | 150 Ų | 150 | 36.6 Ų | 36.6 | 65% | 0.652 | 19% | 0.191 | S | C | * | . | trans | -81.6 | -24.2 | -172.9 | -67.2 | 179.7 | -178.5 | 174.7 | 0 | 114.2 | A135 | K133-A135 HydrophobicContact CB-CB 4.45Å; K133-A135 PolarHBondContact O-N 3.26Å | ||
| 134 | R | 91.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | trans | 50.3 | 32.5 | -177.8 | -44.2 | -166.3 | -48 | -78.6 | 2.5 | 113.1 | R6 L7 E132 S139 M140 A143 C189 E192 | R6-R134 WeakPolarHBondContact CD-O 3.45Å; R6-R134 HydrophobicContact CG-CB 4.28Å; R6-R134 WeakPolarHBondContact CG-O 3.45Å; R6-R134 PolarHBondContact NE-O 3.04Å; L7-R134 PolarHBondContact O-NH2 3.39Å; E132-R134 HydrophobicContact CB-CG 4.46Å; R134-S139 VanDerWaalsContact CA-OG 3.28Å; R134-S139 WeakPolarHBondContact CA-OG 3.29Å; R134-S139 PolarHBondContact N-OG 2.94Å; R134-M140 HydrophobicContact CB-CG 4.01Å; R134-M140 VanDerWaalsContact O-CE 3.22Å; R134-M140 WeakPolarHBondContact O-CE 3.45Å; R134-A143 VanDerWaalsContact CD-CB 3.45Å; R134-A143 HydrophobicContact CG-CB 3.73Å; R134-C189 WeakPolarHBondContact CD-SG 3.27Å; R134-E192 IonicContact CZ-OE1 3.15Å; R134-E192 IonicContact CZ-OE2 2.82Å; R134-E192 IonicContact NE-OE1 2.79Å; R134-E192 IonicContact NE-OE2 4Å; R134-E192 PolarHBondContact NE-OE2 3.09Å; R134-E192 IonicContact NH2-OE1 2.69Å; R134-E192 PolarHBondContact NH2-OE1 2.74Å; R134-E192 IonicContact NH2-OE2 2.69Å; R134-E192 PolarHBondContact NH2-OE2 3.07Å | ||
| 135 | A | 87.2 | Confident | 94.1 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | trans | -77.1 | -31.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K133 S139 | K133-A135 HydrophobicContact CB-CB 4.45Å; K133-A135 PolarHBondContact O-N 3.26Å; A135-S139 PolarHBondContact N-OG 3.49Å | ||
| 136 | D | 90.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -129.3 | 169.6 | -171.6 | 64.3 | 86.2 | 0 | 0 | 0 | 111.1 | D138 S139 M140 | D136-D138 PolarHBondContact O-N 3.35Å; D136-D138 WeakPolarHBondContact OD1-CA 3.18Å; D136-D138 WeakPolarHBondContact OD1-CB 3.34Å; D136-D138 PolarHBondContact OD1-N 2.72Å; D136-S139 VanDerWaalsContact CG-OG 3.24Å; D136-S139 PolarHBondContact N-OG 2.84Å; D136-S139 PolarHBondContact O-OG 3.48Å; D136-S139 PolarHBondContact OD1-N 3.47Å; D136-S139 PolarHBondContact OD1-OG 2.97Å; D136-S139 WeakPolarHBondContact OD2-CB 3.46Å; D136-S139 PolarHBondContact OD2-OG 3.24Å; D136-M140 WeakPolarHBondContact O-CB 3.45Å; D136-M140 WeakPolarHBondContact O-CG 3.42Å; D136-M140 PolarHBondContact O-N 3.03Å; D136-M140 VanDerWaalsContact O-N 3.16Å |
| 137 | A | 91.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K141 L196 | A137-K141 WeakPolarHBondContact O-CD 3.38Å; A137-K141 VanDerWaalsContact O-CE 3.23Å; A137-K141 WeakPolarHBondContact O-CE 3.44Å; A137-K141 VanDerWaalsContact O-CG 3.31Å; A137-K141 WeakPolarHBondContact O-CG 3.41Å; A137-L196 HydrophobicContact CB-CD2 4.1Å |
| 138 | D | 92.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -42.4 | 179.6 | -68.9 | -42.8 | 0 | 0 | 0 | 111.9 | D136 M140 K141 I142 | D136-D138 PolarHBondContact O-N 3.35Å; D136-D138 WeakPolarHBondContact OD1-CA 3.18Å; D136-D138 WeakPolarHBondContact OD1-CB 3.34Å; D136-D138 PolarHBondContact OD1-N 2.72Å; D138-M140 PolarHBondContact O-N 2.9Å; D138-K141 WeakPolarHBondContact O-CA 3.41Å; D138-K141 WeakPolarHBondContact O-CB 3.04Å; D138-K141 PolarHBondContact O-N 3.37Å; D138-K141 WeakPolarHBondContact OD1-CE 3.49Å; D138-K141 IonicContact OD1-NZ 2.75Å; D138-K141 PolarHBondContact OD1-NZ 3.41Å; D138-I142 WeakPolarHBondContact O-CG1 3.34Å; D138-I142 PolarHBondContact O-N 3.04Å |
| 139 | S | 93.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -29.3 | 169.4 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | E132 R134 A135 D136 A143 | E132-S139 WeakPolarHBondContact OE2-CB 3.49Å; R134-S139 VanDerWaalsContact CA-OG 3.28Å; R134-S139 WeakPolarHBondContact CA-OG 3.29Å; R134-S139 PolarHBondContact N-OG 2.94Å; A135-S139 PolarHBondContact N-OG 3.49Å; D136-S139 VanDerWaalsContact CG-OG 3.24Å; D136-S139 PolarHBondContact N-OG 2.84Å; D136-S139 PolarHBondContact O-OG 3.48Å; D136-S139 PolarHBondContact OD1-N 3.47Å; D136-S139 PolarHBondContact OD1-OG 2.97Å; D136-S139 WeakPolarHBondContact OD2-CB 3.46Å; D136-S139 PolarHBondContact OD2-OG 3.24Å; S139-A143 WeakPolarHBondContact O-CB 3.24Å; S139-A143 PolarHBondContact O-N 3.17Å |
| 140 | M | 94.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 166.8 | -73 | 167.8 | -171.7 | 0 | 0 | 112.9 | R6 R134 D136 D138 C144 C189 E192 K193 L196 | R6-M140 VanDerWaalsContact CZ-CE 3.49Å; R6-M140 VanDerWaalsContact NH2-CE 3.34Å; R134-M140 HydrophobicContact CB-CG 4.01Å; R134-M140 VanDerWaalsContact O-CE 3.22Å; R134-M140 WeakPolarHBondContact O-CE 3.45Å; D136-M140 WeakPolarHBondContact O-CB 3.45Å; D136-M140 WeakPolarHBondContact O-CG 3.42Å; D136-M140 PolarHBondContact O-N 3.03Å; D136-M140 VanDerWaalsContact O-N 3.16Å; D138-M140 PolarHBondContact O-N 2.9Å; M140-C144 VanDerWaalsContact O-CB 3.27Å; M140-C144 WeakPolarHBondContact O-CB 3.33Å; M140-C144 PolarHBondContact O-N 3.29Å; M140-C189 WeakPolarHBondContact O-CB 3.41Å; M140-E192 HydrophobicContact CE-CB 4.11Å; M140-E192 HydrophobicContact SD-CB 4.35Å; M140-K193 HydrophobicContact CB-CB 4.44Å; M140-K193 WeakPolarHBondContact SD-CA 3.32Å; M140-K193 HydrophobicContact SD-CB 3.67Å; M140-K193 HydrophobicContact SD-CG 4.01Å; M140-L196 HydrophobicContact CE-CB 4.35Å; M140-L196 HydrophobicContact CE-CD2 3.76Å; M140-L196 HydrophobicContact SD-CD2 4Å |
| 141 | K | 96.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 42 Ų | 42 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 178 | -67 | 164.6 | -166.6 | 166.8 | 0 | 110.8 | A137 D138 A143 C144 T145 | A137-K141 WeakPolarHBondContact O-CD 3.38Å; A137-K141 VanDerWaalsContact O-CE 3.23Å; A137-K141 WeakPolarHBondContact O-CE 3.44Å; A137-K141 VanDerWaalsContact O-CG 3.31Å; A137-K141 WeakPolarHBondContact O-CG 3.41Å; D138-K141 WeakPolarHBondContact O-CA 3.41Å; D138-K141 WeakPolarHBondContact O-CB 3.04Å; D138-K141 PolarHBondContact O-N 3.37Å; D138-K141 WeakPolarHBondContact OD1-CE 3.49Å; D138-K141 IonicContact OD1-NZ 2.75Å; D138-K141 PolarHBondContact OD1-NZ 3.41Å; K141-A143 PolarHBondContact O-N 3.23Å; K141-C144 WeakPolarHBondContact O-CB 3.46Å; K141-C144 PolarHBondContact O-N 2.97Å; K141-T145 PolarHBondContact O-N 3.36Å; K141-T145 PolarHBondContact O-OG1 3.36Å; K141-T145 VanDerWaalsContact O-OG1 3.12Å |
| 142 | I | 95.8 | Very high | 95 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -47.6 | -179.4 | -63.6 | 166.5 | 0 | 0 | 0 | 110.2 | E132 D138 C144 T145 H146 | E132-I142 HydrophobicContact CG-CB 4.28Å; E132-I142 HydrophobicContact CG-CG2 3.82Å; D138-I142 WeakPolarHBondContact O-CG1 3.34Å; D138-I142 PolarHBondContact O-N 3.04Å; I142-C144 PolarHBondContact O-N 3.4Å; I142-T145 PolarHBondContact O-N 3.03Å; I142-H146 WeakPolarHBondContact O-CB 3.45Å; I142-H146 PolarHBondContact O-N 3.38Å |
| 143 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E132 R134 S139 K141 H146 F147 | E132-A143 HydrophobicContact CB-CB 3.86Å; E132-A143 HydrophobicContact CG-CB 4.39Å; R134-A143 VanDerWaalsContact CD-CB 3.45Å; R134-A143 HydrophobicContact CG-CB 3.73Å; S139-A143 WeakPolarHBondContact O-CB 3.24Å; S139-A143 PolarHBondContact O-N 3.17Å; K141-A143 PolarHBondContact O-N 3.23Å; A143-H146 PolarHBondContact O-N 3.19Å; A143-F147 HydrophobicContact CB-CE2 4.31Å; A143-F147 WeakPolarHBondContact O-CD2 3.5Å; A143-F147 WeakPolarHBondContact O-CG 3.44Å; A143-F147 PolarHBondContact O-N 3.12Å |
| 144 | C | 97.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.9 | -53.1 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | M140 K141 I142 H146 F147 Q148 A186 C189 | M140-C144 VanDerWaalsContact O-CB 3.27Å; M140-C144 WeakPolarHBondContact O-CB 3.33Å; M140-C144 PolarHBondContact O-N 3.29Å; K141-C144 WeakPolarHBondContact O-CB 3.46Å; K141-C144 PolarHBondContact O-N 2.97Å; I142-C144 PolarHBondContact O-N 3.4Å; C144-H146 VanDerWaalsContact C-N 3.33Å; C144-H146 PolarHBondContact O-N 2.98Å; C144-F147 PolarHBondContact O-N 3.47Å; C144-Q148 VanDerWaalsContact O-CG 3.3Å; C144-Q148 WeakPolarHBondContact O-CG 3.37Å; C144-Q148 PolarHBondContact O-N 3.29Å; C144-Q148 PolarHBondContact SG-OE1 3.04Å; C144-A186 PolarHBondContact SG-O 3.46Å; C144-A186 VanDerWaalsContact SG-O 3.4Å; C144-C189 HydrophobicContact CB-CB 3.71Å |
| 145 | T | 97.8 | Very high | 95.9 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.7 | -42 | 179.5 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | K141 I142 Q148 C149 | K141-T145 PolarHBondContact O-N 3.36Å; K141-T145 PolarHBondContact O-OG1 3.36Å; K141-T145 VanDerWaalsContact O-OG1 3.12Å; I142-T145 PolarHBondContact O-N 3.03Å; T145-Q148 PolarHBondContact O-N 3.28Å; T145-C149 PolarHBondContact O-N 3.31Å; T145-C149 PolarHBondContact O-SG 3.32Å; T145-C149 VanDerWaalsContact O-SG 3.32Å |
| 146 | H | 98.2 | Very high | 96.2 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 13% | 0.13 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.7 | -80.2 | -17.9 | 0 | 0 | 0 | 113 | H125 L128 I142 A143 C144 C149 A150 | H125-H146 AromaticContact CE1-ND1 3.72Å; H125-H146 AromaticContact ND1-CG 3.97Å; H125-H146 AromaticContact ND1-ND1 3.28Å; H125-H146 PolarHBondContact ND1-ND1 3.21Å; H125-H146 WeakPolarHBondContact O-CB 3.26Å; L128-H146 WeakPolarHBondContact CB-CD2 3.45Å; I142-H146 WeakPolarHBondContact O-CB 3.45Å; I142-H146 PolarHBondContact O-N 3.38Å; A143-H146 PolarHBondContact O-N 3.19Å; C144-H146 VanDerWaalsContact C-N 3.33Å; C144-H146 PolarHBondContact O-N 2.98Å; H146-C149 PolarHBondContact O-N 2.86Å; H146-A150 PolarHBondContact O-N 3.43Å |
| 147 | F | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -34.3 | 174.7 | -66.2 | -49.5 | 0 | 0 | 0 | 113 | A9 S126 G129 V130 A143 C144 A150 S151 M182 Q185 A186 | A9-F147 HydrophobicContact CB-CE2 4.38Å; A9-F147 HydrophobicContact CB-CZ 3.71Å; S126-F147 WeakPolarHBondContact O-CE1 3.4Å; G129-F147 WeakPolarHBondContact O-CZ 3.42Å; V130-F147 HydrophobicContact CG2-CE1 4.11Å; V130-F147 HydrophobicContact CG2-CZ 4.07Å; A143-F147 HydrophobicContact CB-CE2 4.31Å; A143-F147 WeakPolarHBondContact O-CD2 3.5Å; A143-F147 WeakPolarHBondContact O-CG 3.44Å; A143-F147 PolarHBondContact O-N 3.12Å; C144-F147 PolarHBondContact O-N 3.47Å; F147-A150 PolarHBondContact O-N 3.49Å; F147-S151 WeakPolarHBondContact O-CB 3.45Å; F147-S151 PolarHBondContact O-N 3.48Å; F147-M182 WeakPolarHBondContact CB-O 3.28Å; F147-M182 HydrophobicContact CD1-SD 3.85Å; F147-M182 HydrophobicContact CE1-SD 4.4Å; F147-Q185 HydrophobicContact CB-CB 4.35Å; F147-Q185 HydrophobicContact CD1-CB 4.03Å; F147-Q185 HydrophobicContact CD2-CB 3.76Å; F147-Q185 HydrophobicContact CE1-CB 4.27Å; F147-Q185 HydrophobicContact CE2-CB 3.99Å; F147-Q185 HydrophobicContact CG-CB 3.79Å; F147-Q185 HydrophobicContact CZ-CB 4.24Å; F147-A186 HydrophobicContact CB-CB 3.85Å |
| 148 | Q | 98.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 172.5 | -70.9 | 177.6 | -96.4 | 0 | 0 | 112.8 | C144 T145 W152 A186 V353 K354 G355 V356 | C144-Q148 VanDerWaalsContact O-CG 3.3Å; C144-Q148 WeakPolarHBondContact O-CG 3.37Å; C144-Q148 PolarHBondContact O-N 3.29Å; C144-Q148 PolarHBondContact SG-OE1 3.04Å; T145-Q148 PolarHBondContact O-N 3.28Å; Q148-W152 PolarHBondContact O-N 2.97Å; Q148-W152 VanDerWaalsContact O-N 3.07Å; Q148-A186 HydrophobicContact CG-CB 3.66Å; Q148-V353 HydrophobicContact CG-CB 4.2Å; Q148-K354 WeakPolarHBondContact CB-O 3.5Å; Q148-K354 WeakPolarHBondContact CG-O 3.42Å; Q148-K354 PolarHBondContact NE2-O 3.32Å; Q148-G355 WeakPolarHBondContact O-CA 3.29Å; Q148-V356 HydrophobicContact CB-CB 4.06Å; Q148-V356 HydrophobicContact CB-CG2 3.72Å; Q148-V356 HydrophobicContact CG-CG2 4.42Å; Q148-V356 PolarHBondContact O-N 3.1Å; Q148-V356 VanDerWaalsContact O-N 3.12Å |
| 149 | C | 98.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | H125 T145 H146 W152 A153 | H125-C149 VanDerWaalsContact CD2-CB 3.47Å; H125-C149 WeakPolarHBondContact CD2-CB 3.25Å; H125-C149 VanDerWaalsContact CE1-CB 3.45Å; H125-C149 WeakPolarHBondContact CE1-CB 3.46Å; H125-C149 VanDerWaalsContact NE2-CB 3.3Å; H125-C149 WeakPolarHBondContact NE2-CB 3.41Å; T145-C149 PolarHBondContact O-N 3.31Å; T145-C149 PolarHBondContact O-SG 3.32Å; T145-C149 VanDerWaalsContact O-SG 3.32Å; H146-C149 PolarHBondContact O-N 2.86Å; C149-W152 PolarHBondContact O-N 3.13Å; C149-A153 WeakPolarHBondContact O-CB 3.41Å; C149-A153 PolarHBondContact O-N 3.45Å |
| 150 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A122 H125 H146 F147 W152 A153 L154 M182 | A122-A150 WeakPolarHBondContact O-CB 3.32Å; H125-A150 HydrophobicContact CB-CB 3.88Å; H146-A150 PolarHBondContact O-N 3.43Å; F147-A150 PolarHBondContact O-N 3.49Å; A150-W152 PolarHBondContact O-N 3.36Å; A150-A153 PolarHBondContact O-N 3.42Å; A150-L154 WeakPolarHBondContact O-CD1 3.31Å; A150-L154 WeakPolarHBondContact O-CG 3.18Å; A150-L154 PolarHBondContact O-N 3.06Å; A150-L154 VanDerWaalsContact O-N 3.13Å; A150-M182 HydrophobicContact CB-CB 4.18Å; A150-M182 HydrophobicContact CB-CG 3.75Å; A150-M182 HydrophobicContact CB-SD 3.95Å |
| 151 | S | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | F147 N155 G179 | F147-S151 WeakPolarHBondContact O-CB 3.45Å; F147-S151 PolarHBondContact O-N 3.48Å; S151-N155 PolarHBondContact O-N 3.37Å; S151-N155 PolarHBondContact O-OD1 3.1Å; S151-G179 WeakPolarHBondContact CB-O 3.44Å; S151-G179 PolarHBondContact OG-O 3.37Å |
| 152 | W | 97.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 31 Ų | 31 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 177 | 177.5 | 79.7 | 0 | 0 | 0 | 113.3 | M118 Q148 C149 A150 L154 N155 T156 P357 F358 | M118-W152 HydrophobicContact CE-CZ3 4.41Å; M118-W152 HydrophobicContact SD-CZ3 4.47Å; Q148-W152 PolarHBondContact O-N 2.97Å; Q148-W152 VanDerWaalsContact O-N 3.07Å; C149-W152 PolarHBondContact O-N 3.13Å; A150-W152 PolarHBondContact O-N 3.36Å; W152-L154 VanDerWaalsContact C-N 3.29Å; W152-L154 PolarHBondContact O-N 3.3Å; W152-N155 PolarHBondContact O-N 3.21Å; W152-T156 HydrophobicContact CH2-CG2 4.16Å; W152-T156 HydrophobicContact CZ2-CG2 4.06Å; W152-T156 WeakPolarHBondContact CZ2-OG1 3.45Å; W152-T156 PolarHBondContact NE1-OG1 2.88Å; W152-T156 VanDerWaalsContact O-CB 3.31Å; W152-T156 WeakPolarHBondContact O-CB 3.47Å; W152-T156 PolarHBondContact O-N 3.06Å; W152-T156 PolarHBondContact O-OG1 3.29Å; W152-P357 VanDerWaalsContact CD2-CA 3.49Å; W152-P357 HydrophobicContact CD2-CB 4.08Å; W152-P357 HydrophobicContact CG-CB 4.44Å; W152-P357 HydrophobicContact CH2-CB 4.42Å; W152-P357 HydrophobicContact CZ2-CB 3.72Å; W152-F358 HydrophobicContact CE3-CD1 4.27Å; W152-F358 HydrophobicContact CH2-CD1 4.13Å; W152-F358 HydrophobicContact CH2-CE1 4.31Å; W152-F358 WeakPolarHBondContact CH2-O 3.44Å; W152-F358 AromaticContact CZ3-CD1 3.45Å; W152-F358 HydrophobicContact CZ3-CD1 3.45Å; W152-F358 VanDerWaalsContact CZ3-CD1 3.45Å; W152-F358 AromaticContact CZ3-CE1 3.65Å; W152-F358 HydrophobicContact CZ3-CE1 3.65Å; W152-F358 HydrophobicContact CZ3-CG 4.34Å |
| 153 | A | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | M118 I121 A122 C149 A150 L157 | M118-A153 HydrophobicContact CG-CB 4.37Å; M118-A153 WeakPolarHBondContact CG-O 3.29Å; M118-A153 HydrophobicContact SD-CB 3.66Å; I121-A153 HydrophobicContact CG2-CB 4.39Å; A122-A153 HydrophobicContact CB-CB 3.78Å; C149-A153 WeakPolarHBondContact O-CB 3.41Å; C149-A153 PolarHBondContact O-N 3.45Å; A150-A153 PolarHBondContact O-N 3.42Å; A153-L157 VanDerWaalsContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CB 3.35Å; A153-L157 PolarHBondContact O-N 3.36Å |
| 154 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -46.2 | 175.1 | -71.2 | 156.8 | 0 | 0 | 0 | 112.3 | L12 Y119 A122 A150 W152 L157 V158 M175 F178 M182 | L12-L154 HydrophobicContact CD1-CD1 3.94Å; L12-L154 HydrophobicContact CD1-CD2 4.39Å; Y119-L154 HydrophobicContact CD2-CD2 4.07Å; Y119-L154 HydrophobicContact CE2-CD2 4.19Å; A122-L154 HydrophobicContact CB-CD1 4.15Å; A122-L154 HydrophobicContact CB-CD2 4.07Å; A122-L154 HydrophobicContact CB-CG 3.66Å; A150-L154 WeakPolarHBondContact O-CD1 3.31Å; A150-L154 WeakPolarHBondContact O-CG 3.18Å; A150-L154 PolarHBondContact O-N 3.06Å; A150-L154 VanDerWaalsContact O-N 3.13Å; W152-L154 VanDerWaalsContact C-N 3.29Å; W152-L154 PolarHBondContact O-N 3.3Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.45Å; L154-V158 PolarHBondContact O-N 3.19Å; L154-M175 HydrophobicContact CD2-SD 3.73Å; L154-F178 HydrophobicContact CD1-CB 3.64Å; L154-F178 HydrophobicContact CD2-CB 4.14Å; L154-F178 HydrophobicContact CD2-CD2 4.43Å; L154-F178 HydrophobicContact CG-CB 4.46Å; L154-M182 HydrophobicContact CD1-CG 4.02Å |
| 155 | N | 96 | Very high | 93.7 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.6 | -66.9 | 5.1 | 0 | 0 | 0 | 111.3 | S151 W152 L157 V158 E159 | S151-N155 PolarHBondContact O-N 3.37Å; S151-N155 PolarHBondContact O-OD1 3.1Å; W152-N155 PolarHBondContact O-N 3.21Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 3.5Å; N155-V158 WeakPolarHBondContact O-CB 3.45Å; N155-V158 PolarHBondContact O-N 3.16Å; N155-V158 VanDerWaalsContact O-N 3.08Å; N155-E159 WeakPolarHBondContact O-CG 3.44Å; N155-E159 PolarHBondContact O-N 3.03Å |
| 156 | T | 93.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | 178.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | M118 W152 V158 E159 R160 | M118-T156 HydrophobicContact CE-CG2 4.2Å; W152-T156 HydrophobicContact CH2-CG2 4.16Å; W152-T156 HydrophobicContact CZ2-CG2 4.06Å; W152-T156 WeakPolarHBondContact CZ2-OG1 3.45Å; W152-T156 PolarHBondContact NE1-OG1 2.88Å; W152-T156 VanDerWaalsContact O-CB 3.31Å; W152-T156 WeakPolarHBondContact O-CB 3.47Å; W152-T156 PolarHBondContact O-N 3.06Å; W152-T156 PolarHBondContact O-OG1 3.29Å; T156-V158 VanDerWaalsContact C-N 3.34Å; T156-E159 PolarHBondContact O-N 3.35Å; T156-R160 HydrophobicContact CG2-CG 4.19Å; T156-R160 WeakPolarHBondContact O-CB 3.4Å; T156-R160 WeakPolarHBondContact O-CG 3Å; T156-R160 PolarHBondContact O-N 2.95Å |
| 157 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 172.6 | 177.2 | 158.2 | 0 | 0 | 0 | 111.4 | A115 M118 A153 L154 N155 H161 L162 M175 | A115-L157 HydrophobicContact CB-CD1 4.31Å; A115-L157 HydrophobicContact CB-CG 4.24Å; A115-L157 WeakPolarHBondContact O-CD1 3.45Å; M118-L157 HydrophobicContact CB-CB 4.45Å; M118-L157 HydrophobicContact CB-CD1 4.25Å; M118-L157 HydrophobicContact CG-CB 3.92Å; M118-L157 HydrophobicContact CG-CD1 4.42Å; A153-L157 VanDerWaalsContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CB 3.35Å; A153-L157 PolarHBondContact O-N 3.36Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.3Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 3.5Å; L157-H161 PolarHBondContact O-N 2.86Å; L157-H161 VanDerWaalsContact O-N 3.15Å; L157-L162 HydrophobicContact CD2-CD1 3.55Å; L157-L162 HydrophobicContact CD2-CD2 4.31Å; L157-L162 HydrophobicContact CD2-CG 3.73Å; L157-L162 PolarHBondContact O-N 3.13Å; L157-M175 HydrophobicContact CD2-CB 4.3Å; L157-M175 HydrophobicContact CD2-CG 3.7Å; L157-M175 HydrophobicContact CD2-SD 4.1Å |
| 158 | V | 95 | Very high | 91.1 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | L154 N155 T156 L162 M175 L176 | L154-V158 WeakPolarHBondContact O-CG2 3.45Å; L154-V158 PolarHBondContact O-N 3.19Å; N155-V158 WeakPolarHBondContact O-CB 3.45Å; N155-V158 PolarHBondContact O-N 3.16Å; N155-V158 VanDerWaalsContact O-N 3.08Å; T156-V158 VanDerWaalsContact C-N 3.34Å; V158-L162 HydrophobicContact CG2-CD1 4.22Å; V158-M175 HydrophobicContact CG2-CB 3.41Å; V158-M175 VanDerWaalsContact CG2-CB 3.41Å; V158-M175 HydrophobicContact CG2-CG 4.36Å; V158-L176 HydrophobicContact CG1-CD1 4.5Å; V158-L176 HydrophobicContact CG1-CD2 4.49Å; V158-L176 HydrophobicContact CG1-CG 4.34Å; V158-L176 HydrophobicContact CG2-CD2 4.44Å; V158-L176 HydrophobicContact CG2-CG 4.23Å |
| 159 | E | 92.2 | Very high | 90.6 | Very high | 142 Ų | 142 | 37.4 Ų | 37.4 | 66% | 0.664 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69.7 | -33.4 | -177.1 | -72.2 | 165.7 | -162.6 | 0 | 0 | 113.8 | N155 T156 | N155-E159 WeakPolarHBondContact O-CG 3.44Å; N155-E159 PolarHBondContact O-N 3.03Å; T156-E159 PolarHBondContact O-N 3.35Å |
| 160 | R | 87.5 | Confident | 90.3 | Very high | 137 Ų | 137 | 37.1 Ų | 37.1 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -111.6 | -31.2 | -168.4 | -60.5 | -171.3 | -177.9 | -147.2 | -2.3 | 115.7 | T156 | T156-R160 HydrophobicContact CG2-CG 4.19Å; T156-R160 WeakPolarHBondContact O-CB 3.4Å; T156-R160 WeakPolarHBondContact O-CG 3Å; T156-R160 PolarHBondContact O-N 2.95Å |
| 161 | H | 87.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -36.8 | -168.8 | -61.3 | -53.6 | 0 | 0 | 0 | 113.2 | Y72 E114 A115 L157 V164 | Y72-H161 AromaticContact CE2-NE2 3.61Å; Y72-H161 AromaticContact CZ-NE2 3.69Å; Y72-H161 PolarHBondContact OH-CE1 3.14Å; Y72-H161 PolarHBondContact OH-NE2 3.18Å; E114-H161 IonicContact OE1-CE1 2.72Å; A115-H161 HydrophobicContact CB-CB 3.92Å; L157-H161 PolarHBondContact O-N 2.86Å; L157-H161 VanDerWaalsContact O-N 3.15Å; H161-V164 VanDerWaalsContact O-CG2 3.24Å; H161-V164 WeakPolarHBondContact O-CG2 3.42Å |
| 162 | L | 89.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | trans | -80 | 151.7 | -179.2 | -64.1 | -174 | 0 | 0 | 0 | 113.3 | L157 V158 V164 L170 M175 | L157-L162 HydrophobicContact CD2-CD1 3.55Å; L157-L162 HydrophobicContact CD2-CD2 4.31Å; L157-L162 HydrophobicContact CD2-CG 3.73Å; L157-L162 PolarHBondContact O-N 3.13Å; V158-L162 HydrophobicContact CG2-CD1 4.22Å; L162-V164 HydrophobicContact CD2-CB 4.34Å; L162-V164 HydrophobicContact CD2-CG2 4.1Å; L162-L170 VanDerWaalsContact CD1-O 3.23Å; L162-L170 WeakPolarHBondContact CD1-O 3.38Å; L162-L170 HydrophobicContact CD2-CB 4.11Å; L162-L170 WeakPolarHBondContact CD2-O 3.47Å; L162-M175 HydrophobicContact CD1-CG 4.22Å | ||
| 163 | P | 88 | Confident | 89.1 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 70% | 0.695 | 25% | 0.253 | S | S | * | . | S | Bend | cis | -77.1 | 140.5 | -4.4 | 31.7 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 164 | V | 84 | Confident | 88.7 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | trans | -109 | 128 | 172 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | R111 F112 H161 L162 G166 A167 | R111-V164 HydrophobicContact CB-CG2 3.92Å; F112-V164 HydrophobicContact CB-CG1 3.68Å; F112-V164 HydrophobicContact CD2-CG1 3.97Å; F112-V164 HydrophobicContact CG-CG1 4.19Å; H161-V164 VanDerWaalsContact O-CG2 3.24Å; H161-V164 WeakPolarHBondContact O-CG2 3.42Å; L162-V164 HydrophobicContact CD2-CB 4.34Å; L162-V164 HydrophobicContact CD2-CG2 4.1Å; V164-G166 PolarHBondContact O-N 3.44Å; V164-A167 HydrophobicContact CB-CB 4.47Å | ||
| 165 | S | 78.3 | Confident | 88.6 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 128.4 | 175.3 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | S107 | S107-S165 PolarHBondContact OG-O 2.98Š|
| 166 | G | 74.5 | Confident | 88.5 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -11.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | V164 T168 | V164-G166 PolarHBondContact O-N 3.44Å; G166-T168 PolarHBondContact O-N 3.16Å |
| 167 | A | 83.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | trans | -89 | 95.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F112 V164 D169 L170 | F112-A167 HydrophobicContact CD2-CB 4.11Å; F112-A167 HydrophobicContact CE2-CB 3.91Å; V164-A167 HydrophobicContact CB-CB 4.47Å; A167-D169 VanDerWaalsContact C-N 3.32Å; A167-D169 PolarHBondContact O-N 3.09Å; A167-L170 HydrophobicContact CB-CB 3.97Å; A167-L170 HydrophobicContact CB-CD1 4.37Å; A167-L170 HydrophobicContact CB-CG 4.39Å | ||
| 168 | T | 83.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -70.6 | -25.4 | 179.8 | 35.8 | 0 | 0 | 0 | 0 | 114.3 | D98 G166 | D98-T168 PolarHBondContact OD2-OG1 3.01Å; G166-T168 PolarHBondContact O-N 3.16Å |
| 169 | D | 87 | Confident | 88.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.8 | -29 | -176.4 | 55.1 | -11.6 | 0 | 0 | 0 | 113.8 | K15 D98 I99 F100 A167 T171 | K15-D169 IonicContact NZ-OD1 2.64Å; K15-D169 IonicContact NZ-OD2 3.26Å; K15-D169 PolarHBondContact NZ-OD2 3.23Å; D98-D169 WeakPolarHBondContact CA-OD2 3.33Å; D98-D169 WeakPolarHBondContact OD2-CB 3.49Å; I99-D169 HydrophobicContact CB-CB 4.12Å; I99-D169 HydrophobicContact CD1-CB 3.94Å; I99-D169 WeakPolarHBondContact CD1-OD2 3.43Å; I99-D169 HydrophobicContact CG1-CB 4.2Å; I99-D169 WeakPolarHBondContact CG1-OD2 3.39Å; I99-D169 PolarHBondContact N-OD2 3.32Å; F100-D169 HydrophobicContact CD2-CB 4.09Å; F100-D169 HydrophobicContact CE2-CB 4.14Å; A167-D169 VanDerWaalsContact C-N 3.32Å; A167-D169 PolarHBondContact O-N 3.09Å; D169-T171 VanDerWaalsContact C-N 3.33Å; D169-T171 PolarHBondContact O-N 2.98Å |
| 170 | L | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | trans | -90.2 | 61.3 | 179.2 | -57.4 | 177.9 | 0 | 0 | 0 | 111.5 | K15 I99 A115 Y119 L162 A167 M175 | K15-L170 HydrophobicContact CD-CD1 4.42Å; K15-L170 HydrophobicContact CD-CD2 4.3Å; I99-L170 HydrophobicContact CD1-CD2 3.8Å; A115-L170 HydrophobicContact CB-CD1 3.93Å; Y119-L170 HydrophobicContact CD2-CD2 3.87Å; Y119-L170 HydrophobicContact CG-CD2 3.97Å; L162-L170 VanDerWaalsContact CD1-O 3.23Å; L162-L170 WeakPolarHBondContact CD1-O 3.38Å; L162-L170 HydrophobicContact CD2-CB 4.11Å; L162-L170 WeakPolarHBondContact CD2-O 3.47Å; A167-L170 HydrophobicContact CB-CB 3.97Å; A167-L170 HydrophobicContact CB-CD1 4.37Å; A167-L170 HydrophobicContact CB-CG 4.39Å; L170-M175 HydrophobicContact CD2-CE 4.15Å; L170-M175 HydrophobicContact CD2-SD 3.98Å | ||
| 171 | T | 89.1 | Confident | 89.1 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -90.2 | 141.4 | 175.1 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | D169 E173 L174 M175 I231 | D169-T171 VanDerWaalsContact C-N 3.33Å; D169-T171 PolarHBondContact O-N 2.98Å; T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 3.33Å; T171-L174 PolarHBondContact O-N 3.06Å; T171-L174 VanDerWaalsContact O-N 3.12Å; T171-L174 VanDerWaalsContact OG1-CB 3.27Å; T171-L174 WeakPolarHBondContact OG1-CB 3.47Å; T171-M175 VanDerWaalsContact O-CG 3.28Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 3.01Å; T171-I231 HydrophobicContact CG2-CD1 4.22Å | ||
| 172 | S | 91.8 | Very high | 89.5 | Confident | 47 Ų | 47 | 33.4 Ų | 33.4 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.8 | -38.6 | -175 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | M175 L176 | S172-M175 PolarHBondContact O-N 3.46Å; S172-L176 WeakPolarHBondContact O-CB 3.44Å; S172-L176 VanDerWaalsContact O-CG 3.29Å; S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 3.15Å |
| 173 | E | 89.6 | Confident | 89.8 | Confident | 113 Ų | 113 | 33.9 Ų | 33.9 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 176.7 | -165.8 | -173.8 | 174.4 | 0 | 0 | 111.6 | T171 M175 L176 L177 F225 | T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 3.33Å; E173-M175 PolarHBondContact O-N 2.84Å; E173-L176 PolarHBondContact O-N 3.36Å; E173-L177 WeakPolarHBondContact O-CB 3.37Å; E173-L177 PolarHBondContact O-N 2.93Å; E173-F225 HydrophobicContact CB-CZ 4.07Å; E173-F225 HydrophobicContact CG-CE2 4.37Å; E173-F225 HydrophobicContact CG-CZ 3.71Å |
| 174 | L | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -34.3 | -179.3 | -173.2 | 57.3 | 0 | 0 | 0 | 112.5 | F100 T171 L177 F178 F225 I231 L233 | F100-L174 HydrophobicContact CE2-CD2 3.62Å; F100-L174 HydrophobicContact CZ-CD2 4.03Å; T171-L174 PolarHBondContact O-N 3.06Å; T171-L174 VanDerWaalsContact O-N 3.12Å; T171-L174 VanDerWaalsContact OG1-CB 3.27Å; T171-L174 WeakPolarHBondContact OG1-CB 3.47Å; L174-L177 HydrophobicContact CD1-CD2 3.89Å; L174-L177 WeakPolarHBondContact O-CB 3.27Å; L174-L177 PolarHBondContact O-N 3.42Å; L174-F178 HydrophobicContact CD1-CD1 4.41Å; L174-F178 HydrophobicContact CD1-CE1 3.63Å; L174-F178 HydrophobicContact CD1-CE2 4.07Å; L174-F178 HydrophobicContact CD1-CZ 3.43Å; L174-F178 VanDerWaalsContact CD1-CZ 3.43Å; L174-F178 HydrophobicContact CD2-CE2 4.26Å; L174-F178 HydrophobicContact CD2-CZ 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.44Å; L174-F178 HydrophobicContact CG-CE1 4.24Å; L174-F178 HydrophobicContact CG-CE2 3.75Å; L174-F178 HydrophobicContact CG-CZ 3.63Å; L174-F178 WeakPolarHBondContact O-CD2 3.38Å; L174-F178 VanDerWaalsContact O-CG 3.28Å; L174-F178 WeakPolarHBondContact O-CG 3.47Å; L174-F178 PolarHBondContact O-N 3.43Å; L174-F225 HydrophobicContact CB-CE1 4.29Å; L174-F225 HydrophobicContact CB-CZ 4.13Å; L174-F225 HydrophobicContact CD1-CE1 4.47Å; L174-F225 HydrophobicContact CD1-CE2 4.39Å; L174-F225 HydrophobicContact CD1-CZ 4.26Å; L174-I231 HydrophobicContact CD2-CG2 4.32Å; L174-L233 HydrophobicContact CD1-CD1 3.74Å; L174-L233 HydrophobicContact CD1-CD2 4.46Å; L174-L233 HydrophobicContact CD2-CD1 3.97Å; L174-L233 HydrophobicContact CD2-CD2 4.46Å; L174-L233 HydrophobicContact CD2-CG 4.5Å |
| 175 | M | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.7 | -39.3 | 177 | -63.5 | -63.8 | 110.2 | 0 | 0 | 111.8 | Y119 L154 L157 V158 L162 L170 T171 S172 E173 F178 G179 | Y119-M175 HydrophobicContact CD2-CE 4.14Å; Y119-M175 HydrophobicContact CD2-SD 3.66Å; Y119-M175 HydrophobicContact CE2-CE 3.87Å; Y119-M175 HydrophobicContact CE2-SD 3.93Å; L154-M175 HydrophobicContact CD2-SD 3.73Å; L157-M175 HydrophobicContact CD2-CB 4.3Å; L157-M175 HydrophobicContact CD2-CG 3.7Å; L157-M175 HydrophobicContact CD2-SD 4.1Å; V158-M175 HydrophobicContact CG2-CB 3.41Å; V158-M175 VanDerWaalsContact CG2-CB 3.41Å; V158-M175 HydrophobicContact CG2-CG 4.36Å; L162-M175 HydrophobicContact CD1-CG 4.22Å; L170-M175 HydrophobicContact CD2-CE 4.15Å; L170-M175 HydrophobicContact CD2-SD 3.98Å; T171-M175 VanDerWaalsContact O-CG 3.28Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 3.01Å; S172-M175 PolarHBondContact O-N 3.46Å; E173-M175 PolarHBondContact O-N 2.84Å; M175-F178 HydrophobicContact CE-CD2 3.73Å; M175-F178 HydrophobicContact CE-CE2 3.7Å; M175-F178 PolarHBondContact O-N 2.93Å; M175-F178 HydrophobicContact SD-CD2 4.49Å; M175-G179 PolarHBondContact O-N 3Å |
| 176 | L | 94.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 23.8 Ų | 23.8 | 42% | 0.424 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.7 | -35.8 | 171.9 | -70.5 | 172.8 | 0 | 0 | 0 | 112.6 | V158 S172 E173 G179 S180 | V158-L176 HydrophobicContact CG1-CD1 4.5Å; V158-L176 HydrophobicContact CG1-CD2 4.49Å; V158-L176 HydrophobicContact CG1-CG 4.34Å; V158-L176 HydrophobicContact CG2-CD2 4.44Å; V158-L176 HydrophobicContact CG2-CG 4.23Å; S172-L176 WeakPolarHBondContact O-CB 3.44Å; S172-L176 VanDerWaalsContact O-CG 3.29Å; S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 3.15Å; E173-L176 PolarHBondContact O-N 3.36Å; L176-G179 PolarHBondContact O-N 3.17Å; L176-S180 WeakPolarHBondContact O-CB 3.42Å; L176-S180 PolarHBondContact O-N 2.93Å; L176-S180 PolarHBondContact O-OG 3.34Å |
| 177 | L | 93.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 171.7 | -178.7 | 74.9 | 0 | 0 | 0 | 111.1 | E173 L174 S180 L181 V218 Q221 L222 F225 | E173-L177 WeakPolarHBondContact O-CB 3.37Å; E173-L177 PolarHBondContact O-N 2.93Å; L174-L177 HydrophobicContact CD1-CD2 3.89Å; L174-L177 WeakPolarHBondContact O-CB 3.27Å; L174-L177 PolarHBondContact O-N 3.42Å; L177-S180 WeakPolarHBondContact O-CB 3.46Å; L177-S180 PolarHBondContact O-N 3.38Å; L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 PolarHBondContact O-N 3.07Å; L177-V218 HydrophobicContact CD1-CB 4.12Å; L177-V218 HydrophobicContact CD1-CG1 3.87Å; L177-V218 HydrophobicContact CD1-CG2 4.09Å; L177-V218 HydrophobicContact CG-CG1 4.39Å; L177-Q221 HydrophobicContact CD1-CB 3.56Å; L177-Q221 HydrophobicContact CD1-CG 4.32Å; L177-L222 HydrophobicContact CD2-CD2 3.68Å; L177-L222 HydrophobicContact CD2-CG 4.01Å; L177-F225 HydrophobicContact CD2-CD2 4.19Å; L177-F225 HydrophobicContact CD2-CE2 3.88Å |
| 178 | F | 94.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.9 | -62.7 | -20.5 | 0 | 0 | 0 | 112.3 | L12 F100 Y119 L154 L174 M175 S180 L181 M182 W240 | L12-F178 HydrophobicContact CD1-CB 4.1Å; L12-F178 HydrophobicContact CD1-CD2 4.1Å; L12-F178 HydrophobicContact CD1-CG 4.21Å; L12-F178 HydrophobicContact CD2-CB 4.4Å; L12-F178 HydrophobicContact CD2-CD1 4Å; L12-F178 HydrophobicContact CD2-CD2 4.06Å; L12-F178 HydrophobicContact CD2-CE1 4.29Å; L12-F178 HydrophobicContact CD2-CE2 4.33Å; L12-F178 HydrophobicContact CD2-CG 3.89Å; L12-F178 HydrophobicContact CD2-CZ 4.44Å; F100-F178 HydrophobicContact CE1-CZ 4.27Å; F100-F178 AromaticContact CZ-CE2 3.87Å; F100-F178 HydrophobicContact CZ-CE2 3.87Å; F100-F178 AromaticContact CZ-CZ 3.68Å; F100-F178 HydrophobicContact CZ-CZ 3.68Å; Y119-F178 HydrophobicContact CE2-CD2 4.3Å; Y119-F178 HydrophobicContact CE2-CE2 4.41Å; L154-F178 HydrophobicContact CD1-CB 3.64Å; L154-F178 HydrophobicContact CD2-CB 4.14Å; L154-F178 HydrophobicContact CD2-CD2 4.43Å; L154-F178 HydrophobicContact CG-CB 4.46Å; L174-F178 HydrophobicContact CD1-CD1 4.41Å; L174-F178 HydrophobicContact CD1-CE1 3.63Å; L174-F178 HydrophobicContact CD1-CE2 4.07Å; L174-F178 HydrophobicContact CD1-CZ 3.43Å; L174-F178 VanDerWaalsContact CD1-CZ 3.43Å; L174-F178 HydrophobicContact CD2-CE2 4.26Å; L174-F178 HydrophobicContact CD2-CZ 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.44Å; L174-F178 HydrophobicContact CG-CE1 4.24Å; L174-F178 HydrophobicContact CG-CE2 3.75Å; L174-F178 HydrophobicContact CG-CZ 3.63Å; L174-F178 WeakPolarHBondContact O-CD2 3.38Å; L174-F178 VanDerWaalsContact O-CG 3.28Å; L174-F178 WeakPolarHBondContact O-CG 3.47Å; L174-F178 PolarHBondContact O-N 3.43Å; M175-F178 HydrophobicContact CE-CD2 3.73Å; M175-F178 HydrophobicContact CE-CE2 3.7Å; M175-F178 PolarHBondContact O-N 2.93Å; M175-F178 HydrophobicContact SD-CD2 4.49Å; F178-S180 PolarHBondContact O-N 3.05Å; F178-L181 PolarHBondContact O-N 3.32Å; F178-M182 WeakPolarHBondContact O-CB 3.32Å; F178-M182 VanDerWaalsContact O-CG 3.3Å; F178-M182 WeakPolarHBondContact O-CG 3.49Å; F178-M182 PolarHBondContact O-N 3.1Å; F178-W240 HydrophobicContact CE1-CE3 4.14Å; F178-W240 HydrophobicContact CE1-CH2 4.19Å; F178-W240 AromaticContact CE1-CZ3 3.45Å; F178-W240 HydrophobicContact CE1-CZ3 3.45Å; F178-W240 VanDerWaalsContact CE1-CZ3 3.45Å; F178-W240 HydrophobicContact CZ-CH2 4.14Å; F178-W240 AromaticContact CZ-CZ3 3.65Å; F178-W240 HydrophobicContact CZ-CZ3 3.65Å |
| 179 | G | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.5 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | S151 M175 L176 L183 | S151-G179 WeakPolarHBondContact CB-O 3.44Å; S151-G179 PolarHBondContact OG-O 3.37Å; M175-G179 PolarHBondContact O-N 3Å; L176-G179 PolarHBondContact O-N 3.17Å; G179-L183 WeakPolarHBondContact O-CB 3.35Å; G179-L183 PolarHBondContact O-N 3.45Å; G179-L183 VanDerWaalsContact O-N 3.08Å |
| 180 | S | 95.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 19 Ų | 19 | 32% | 0.322 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 175 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | L176 L177 F178 M182 L183 A184 | L176-S180 WeakPolarHBondContact O-CB 3.42Å; L176-S180 PolarHBondContact O-N 2.93Å; L176-S180 PolarHBondContact O-OG 3.34Å; L177-S180 WeakPolarHBondContact O-CB 3.46Å; L177-S180 PolarHBondContact O-N 3.38Å; F178-S180 PolarHBondContact O-N 3.05Å; S180-M182 VanDerWaalsContact C-N 3.35Å; S180-M182 PolarHBondContact O-N 3.29Å; S180-L183 PolarHBondContact O-N 3.36Å; S180-A184 PolarHBondContact O-N 3.44Å |
| 181 | L | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.8 | 180 | 71 | 0 | 0 | 0 | 111.7 | V10 L177 F178 A184 Q185 Y215 V218 | V10-L181 HydrophobicContact CB-CD2 4.38Å; V10-L181 HydrophobicContact CG1-CD2 4.22Å; L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 PolarHBondContact O-N 3.07Å; F178-L181 PolarHBondContact O-N 3.32Å; L181-A184 PolarHBondContact O-N 3.5Å; L181-Q185 WeakPolarHBondContact O-CG 3.49Å; L181-Q185 PolarHBondContact O-N 3.39Å; L181-Q185 VanDerWaalsContact O-N 3.14Å; L181-Y215 HydrophobicContact CD1-CD1 4.21Å; L181-Y215 HydrophobicContact CD1-CE1 3.79Å; L181-V218 HydrophobicContact CB-CG1 4.38Å; L181-V218 HydrophobicContact CD1-CG1 4.06Å |
| 182 | M | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 176 | -67 | -59.2 | 105.3 | 0 | 0 | 111.5 | L12 S126 F147 A150 L154 F178 S180 A184 Q185 A186 | L12-M182 HydrophobicContact CG-CE 4.43Å; S126-M182 WeakPolarHBondContact CB-SD 3.1Å; F147-M182 WeakPolarHBondContact CB-O 3.28Å; F147-M182 HydrophobicContact CD1-SD 3.85Å; F147-M182 HydrophobicContact CE1-SD 4.4Å; A150-M182 HydrophobicContact CB-CB 4.18Å; A150-M182 HydrophobicContact CB-CG 3.75Å; A150-M182 HydrophobicContact CB-SD 3.95Å; L154-M182 HydrophobicContact CD1-CG 4.02Å; F178-M182 WeakPolarHBondContact O-CB 3.32Å; F178-M182 VanDerWaalsContact O-CG 3.3Å; F178-M182 WeakPolarHBondContact O-CG 3.49Å; F178-M182 PolarHBondContact O-N 3.1Å; S180-M182 VanDerWaalsContact C-N 3.35Å; S180-M182 PolarHBondContact O-N 3.29Å; M182-A184 VanDerWaalsContact C-N 3.34Å; M182-A184 PolarHBondContact O-N 3.04Å; M182-Q185 PolarHBondContact O-N 2.97Å; M182-Q185 VanDerWaalsContact O-N 3.17Å; M182-A186 PolarHBondContact O-N 3.27Å |
| 183 | L | 96.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 15% | 0.152 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.9 | -161.5 | 65.5 | 0 | 0 | 0 | 112.2 | G179 S180 Q185 A186 Q187 V353 | G179-L183 WeakPolarHBondContact O-CB 3.35Å; G179-L183 PolarHBondContact O-N 3.45Å; G179-L183 VanDerWaalsContact O-N 3.08Å; S180-L183 PolarHBondContact O-N 3.36Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3.32Å; L183-A186 PolarHBondContact O-N 3.38Å; L183-Q187 PolarHBondContact O-N 3.19Å; L183-V353 HydrophobicContact CD1-CB 4.23Å; L183-V353 HydrophobicContact CD1-CG2 3.66Å; L183-V353 HydrophobicContact CG-CG2 3.95Å |
| 184 | A | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S180 L181 M182 Q187 E188 V214 Y215 | S180-A184 PolarHBondContact O-N 3.44Å; L181-A184 PolarHBondContact O-N 3.5Å; M182-A184 VanDerWaalsContact C-N 3.34Å; M182-A184 PolarHBondContact O-N 3.04Å; A184-Q187 PolarHBondContact O-N 3.35Å; A184-E188 WeakPolarHBondContact O-CB 3.34Å; A184-E188 PolarHBondContact O-N 3.47Å; A184-V214 HydrophobicContact CB-CB 4.25Å; A184-V214 HydrophobicContact CB-CG1 3.85Å; A184-Y215 HydrophobicContact CB-CD1 4.3Å; A184-Y215 HydrophobicContact CB-CE1 3.92Å; A184-Y215 HydrophobicContact CB-CE2 4.26Å |
| 185 | Q | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.1 | -31.9 | 176.4 | -72.1 | -176.6 | 173 | 0 | 0 | 113.3 | V10 F147 L181 M182 L183 E188 C189 Y215 | V10-Q185 PolarHBondContact O-NE2 2.89Å; F147-Q185 HydrophobicContact CB-CB 4.35Å; F147-Q185 HydrophobicContact CD1-CB 4.03Å; F147-Q185 HydrophobicContact CD2-CB 3.76Å; F147-Q185 HydrophobicContact CE1-CB 4.27Å; F147-Q185 HydrophobicContact CE2-CB 3.99Å; F147-Q185 HydrophobicContact CG-CB 3.79Å; F147-Q185 HydrophobicContact CZ-CB 4.24Å; L181-Q185 WeakPolarHBondContact O-CG 3.49Å; L181-Q185 PolarHBondContact O-N 3.39Å; L181-Q185 VanDerWaalsContact O-N 3.14Å; M182-Q185 PolarHBondContact O-N 2.97Å; M182-Q185 VanDerWaalsContact O-N 3.17Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3.32Å; Q185-E188 PolarHBondContact O-N 3.08Å; Q185-C189 PolarHBondContact O-N 2.7Å; Q185-C189 PolarHBondContact O-SG 3.35Å; Q185-Y215 WeakPolarHBondContact CG-OH 3.43Å |
| 186 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C144 F147 Q148 M182 L183 E188 C189 V190 V353 | C144-A186 PolarHBondContact SG-O 3.46Å; C144-A186 VanDerWaalsContact SG-O 3.4Å; F147-A186 HydrophobicContact CB-CB 3.85Å; Q148-A186 HydrophobicContact CG-CB 3.66Å; M182-A186 PolarHBondContact O-N 3.27Å; L183-A186 PolarHBondContact O-N 3.38Å; A186-E188 VanDerWaalsContact C-N 3.29Å; A186-E188 PolarHBondContact O-N 3.32Å; A186-C189 WeakPolarHBondContact O-CB 3.11Å; A186-C189 PolarHBondContact O-N 3.1Å; A186-V190 PolarHBondContact O-N 3.39Å; A186-V190 VanDerWaalsContact O-N 3.16Å; A186-V353 HydrophobicContact CB-CB 4.09Å; A186-V353 HydrophobicContact CB-CG1 4.01Å; A186-V353 HydrophobicContact CB-CG2 4.04Å |
| 187 | Q | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 176.9 | -176.1 | 86.4 | -3.8 | 0 | 0 | 112 | L183 A184 V190 V191 L207 Y210 I211 V350 V353 | L183-Q187 PolarHBondContact O-N 3.19Å; A184-Q187 PolarHBondContact O-N 3.35Å; Q187-V190 CarbonylContact O-C 3.55Å; Q187-V190 WeakPolarHBondContact O-CA 3.34Å; Q187-V190 WeakPolarHBondContact O-CB 3.47Å; Q187-V190 PolarHBondContact O-N 3.3Å; Q187-V190 VanDerWaalsContact O-N 3.11Å; Q187-V191 PolarHBondContact O-N 3.49Å; Q187-L207 VanDerWaalsContact NE2-CD2 3.34Å; Q187-L207 PolarHBondContact NE2-O 3Å; Q187-L207 VanDerWaalsContact NE2-O 3.1Å; Q187-Y210 HydrophobicContact CB-CD1 4.46Å; Q187-Y210 HydrophobicContact CG-CD1 4.02Å; Q187-I211 HydrophobicContact CB-CD1 4.35Å; Q187-I211 HydrophobicContact CB-CG1 3.89Å; Q187-I211 HydrophobicContact CG-CD1 3.85Å; Q187-I211 HydrophobicContact CG-CG1 3.4Å; Q187-I211 VanDerWaalsContact CG-CG1 3.4Å; Q187-V350 PolarHBondContact NE2-O 3.26Å; Q187-V353 HydrophobicContact CB-CG2 3.83Å |
| 188 | E | 96 | Very high | 95.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 171.6 | 163.9 | 165.5 | -148.3 | 0 | 0 | 112.3 | A184 Q185 A186 V190 V191 E192 I211 Y215 K247 Y251 | A184-E188 WeakPolarHBondContact O-CB 3.34Å; A184-E188 PolarHBondContact O-N 3.47Å; Q185-E188 PolarHBondContact O-N 3.08Å; A186-E188 VanDerWaalsContact C-N 3.29Å; A186-E188 PolarHBondContact O-N 3.32Å; E188-V190 VanDerWaalsContact C-N 3.29Å; E188-V190 PolarHBondContact O-N 3.14Å; E188-V191 PolarHBondContact O-N 3.4Å; E188-E192 WeakPolarHBondContact O-CB 3.44Å; E188-E192 VanDerWaalsContact O-CG 3.32Å; E188-E192 WeakPolarHBondContact O-CG 3.35Å; E188-E192 PolarHBondContact O-N 3.04Å; E188-I211 HydrophobicContact CB-CD1 4.25Å; E188-Y215 PolarHBondContact OE2-OH 2.65Å; E188-K247 WeakPolarHBondContact OE1-CE 3.31Å; E188-K247 IonicContact OE1-NZ 3.14Å; E188-K247 PolarHBondContact OE1-NZ 3.32Å; E188-K247 IonicContact OE2-NZ 2.75Å; E188-K247 PolarHBondContact OE2-NZ 2.99Å; E188-Y251 VanDerWaalsContact CG-OH 3.32Å; E188-Y251 WeakPolarHBondContact CG-OH 3.41Å; E188-Y251 PolarHBondContact OE1-OH 3.43Å |
| 189 | C | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | 172.1 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | R134 M140 C144 Q185 A186 K193 | R134-C189 WeakPolarHBondContact CD-SG 3.27Å; M140-C189 WeakPolarHBondContact O-CB 3.41Å; C144-C189 HydrophobicContact CB-CB 3.71Å; Q185-C189 PolarHBondContact O-N 2.7Å; Q185-C189 PolarHBondContact O-SG 3.35Å; A186-C189 WeakPolarHBondContact O-CB 3.11Å; A186-C189 PolarHBondContact O-N 3.1Å; C189-K193 WeakPolarHBondContact O-CB 3.2Å; C189-K193 PolarHBondContact O-N 3.14Å |
| 190 | V | 96.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 174.2 | 167.2 | 0 | 0 | 0 | 0 | 112 | A186 Q187 E188 K193 S194 L207 I352 V353 | A186-V190 PolarHBondContact O-N 3.39Å; A186-V190 VanDerWaalsContact O-N 3.16Å; Q187-V190 CarbonylContact O-C 3.55Å; Q187-V190 WeakPolarHBondContact O-CA 3.34Å; Q187-V190 WeakPolarHBondContact O-CB 3.47Å; Q187-V190 PolarHBondContact O-N 3.3Å; Q187-V190 VanDerWaalsContact O-N 3.11Å; E188-V190 VanDerWaalsContact C-N 3.29Å; E188-V190 PolarHBondContact O-N 3.14Å; V190-K193 CarbonylContact O-C 3.42Å; V190-K193 PolarHBondContact O-N 3.13Å; V190-S194 WeakPolarHBondContact O-CB 3.45Å; V190-S194 PolarHBondContact O-N 3.36Å; V190-L207 HydrophobicContact CG1-CD1 4.18Å; V190-L207 HydrophobicContact CG1-CD2 4.43Å; V190-I352 HydrophobicContact CG1-CD1 3.66Å; V190-I352 HydrophobicContact CG1-CG1 3.92Å; V190-V353 HydrophobicContact CG2-CG1 3.65Å |
| 191 | V | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 177.1 | 165.1 | 0 | 0 | 0 | 0 | 111.4 | Q187 E188 K193 S194 I195 L207 S208 I211 Y251 L254 | Q187-V191 PolarHBondContact O-N 3.49Å; E188-V191 PolarHBondContact O-N 3.4Å; V191-K193 PolarHBondContact O-N 3.35Å; V191-S194 WeakPolarHBondContact O-CB 3.41Å; V191-S194 PolarHBondContact O-N 3.01Å; V191-I195 HydrophobicContact CG1-CD1 4.05Å; V191-I195 WeakPolarHBondContact O-CD1 3.31Å; V191-I195 VanDerWaalsContact O-CG1 3.24Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 3.42Å; V191-L207 HydrophobicContact CG2-CB 3.53Å; V191-S208 WeakPolarHBondContact CG1-OG 3.38Å; V191-I211 HydrophobicContact CB-CD1 3.86Å; V191-I211 HydrophobicContact CG2-CD1 3.49Å; V191-I211 VanDerWaalsContact CG2-CD1 3.49Å; V191-Y251 HydrophobicContact CG1-CE1 4.02Å; V191-L254 HydrophobicContact CG1-CD2 4.01Å |
| 192 | E | 94.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.1 | -40.5 | 171.9 | -72.2 | 173.6 | 154.5 | 0 | 0 | 111.3 | R6 R134 M140 E188 L196 | R6-E192 WeakPolarHBondContact CB-OE1 3.14Å; R6-E192 VanDerWaalsContact CD-OE1 3.28Å; R6-E192 WeakPolarHBondContact CD-OE1 3.31Å; R134-E192 IonicContact CZ-OE1 3.15Å; R134-E192 IonicContact CZ-OE2 2.82Å; R134-E192 IonicContact NE-OE1 2.79Å; R134-E192 IonicContact NE-OE2 4Å; R134-E192 PolarHBondContact NE-OE2 3.09Å; R134-E192 IonicContact NH2-OE1 2.69Å; R134-E192 PolarHBondContact NH2-OE1 2.74Å; R134-E192 IonicContact NH2-OE2 2.69Å; R134-E192 PolarHBondContact NH2-OE2 3.07Å; M140-E192 HydrophobicContact CE-CB 4.11Å; M140-E192 HydrophobicContact SD-CB 4.35Å; E188-E192 WeakPolarHBondContact O-CB 3.44Å; E188-E192 VanDerWaalsContact O-CG 3.32Å; E188-E192 WeakPolarHBondContact O-CG 3.35Å; E188-E192 PolarHBondContact O-N 3.04Å; E192-L196 PolarHBondContact O-N 2.89Å |
| 193 | K | 94.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 19% | 0.191 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 173.2 | -160.4 | -166.3 | -174.4 | -54.3 | 0 | 113.3 | M140 C189 V190 V191 I195 L196 D197 | M140-K193 HydrophobicContact CB-CB 4.44Å; M140-K193 WeakPolarHBondContact SD-CA 3.32Å; M140-K193 HydrophobicContact SD-CB 3.67Å; M140-K193 HydrophobicContact SD-CG 4.01Å; C189-K193 WeakPolarHBondContact O-CB 3.2Å; C189-K193 PolarHBondContact O-N 3.14Å; V190-K193 CarbonylContact O-C 3.42Å; V190-K193 PolarHBondContact O-N 3.13Å; V191-K193 PolarHBondContact O-N 3.35Å; K193-I195 PolarHBondContact O-N 3.14Å; K193-L196 PolarHBondContact O-N 3.3Å; K193-D197 IonicContact NZ-OD1 3.14Å; K193-D197 PolarHBondContact NZ-OD1 3.22Å; K193-D197 IonicContact NZ-OD2 2.69Å; K193-D197 PolarHBondContact NZ-OD2 3.31Å; K193-D197 VanDerWaalsContact O-CB 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.37Å; K193-D197 PolarHBondContact O-N 2.86Å |
| 194 | S | 95.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -35.4 | 177.9 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | V190 V191 N198 R199 T204 | V190-S194 WeakPolarHBondContact O-CB 3.45Å; V190-S194 PolarHBondContact O-N 3.36Å; V191-S194 WeakPolarHBondContact O-CB 3.41Å; V191-S194 PolarHBondContact O-N 3.01Å; S194-N198 PolarHBondContact O-N 3.37Å; S194-R199 WeakPolarHBondContact O-CG 3.02Å; S194-R199 PolarHBondContact O-N 2.89Å; S194-R199 WeakPolarHBondContact OG-CB 3.41Å; S194-R199 WeakPolarHBondContact OG-CG 3.29Å; S194-T204 PolarHBondContact OG-OG1 3.4Å |
| 195 | I | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.9 | -48.6 | 172.3 | -61.6 | 161.3 | 0 | 0 | 0 | 110.6 | M1 L4 V191 K193 D197 N198 T204 L254 Y258 | M1-I195 HydrophobicContact CB-CG2 3.68Å; L4-I195 HydrophobicContact CD2-CD1 4.28Å; V191-I195 HydrophobicContact CG1-CD1 4.05Å; V191-I195 WeakPolarHBondContact O-CD1 3.31Å; V191-I195 VanDerWaalsContact O-CG1 3.24Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 3.42Å; K193-I195 PolarHBondContact O-N 3.14Å; I195-D197 PolarHBondContact O-N 3.26Å; I195-N198 PolarHBondContact O-N 2.96Å; I195-N198 VanDerWaalsContact O-N 3.09Å; I195-T204 HydrophobicContact CG1-CG2 3.95Å; I195-L254 HydrophobicContact CD1-CD2 4.1Å; I195-Y258 HydrophobicContact CG1-CE2 4.13Å |
| 196 | L | 92.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.4 | -37.6 | -178.8 | -174.9 | 64.5 | 0 | 0 | 0 | 112.8 | A137 M140 E192 K193 N198 | A137-L196 HydrophobicContact CB-CD2 4.1Å; M140-L196 HydrophobicContact CE-CB 4.35Å; M140-L196 HydrophobicContact CE-CD2 3.76Å; M140-L196 HydrophobicContact SD-CD2 4Å; E192-L196 PolarHBondContact O-N 2.89Å; K193-L196 PolarHBondContact O-N 3.3Å; L196-N198 PolarHBondContact O-N 2.74Å |
| 197 | D | 92.5 | Very high | 95.5 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 31% | 0.305 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.1 | 173.9 | -78.1 | 14.5 | 0 | 0 | 0 | 113 | K193 I195 R199 | K193-D197 IonicContact NZ-OD1 3.14Å; K193-D197 PolarHBondContact NZ-OD1 3.22Å; K193-D197 IonicContact NZ-OD2 2.69Å; K193-D197 PolarHBondContact NZ-OD2 3.31Å; K193-D197 VanDerWaalsContact O-CB 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.37Å; K193-D197 PolarHBondContact O-N 2.86Å; I195-D197 PolarHBondContact O-N 3.26Å; D197-R199 HydrophobicContact CB-CG 3.87Å; D197-R199 PolarHBondContact O-N 3.48Å; D197-R199 IonicContact OD2-CZ 2.79Å; D197-R199 IonicContact OD2-NE 3.77Å; D197-R199 PolarHBondContact OD2-NE 3.42Å; D197-R199 VanDerWaalsContact OD2-NE 3.13Å; D197-R199 IonicContact OD2-NH2 3.73Å; D197-R199 PolarHBondContact OD2-NH2 2.91Å |
| 198 | N | 92.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 35.7 Ų | 35.7 | 57% | 0.567 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 53.3 | -170.5 | -77 | -83.4 | 0 | 0 | 0 | 113 | D2 S194 I195 L196 | D2-N198 PolarHBondContact OD2-ND2 3.32Å; S194-N198 PolarHBondContact O-N 3.37Å; I195-N198 PolarHBondContact O-N 2.96Å; I195-N198 VanDerWaalsContact O-N 3.09Å; L196-N198 PolarHBondContact O-N 2.74Å |
| 199 | R | 94.3 | Very high | 95.6 | Very high | 132 Ų | 132 | 36.1 Ų | 36.1 | 50% | 0.498 | 19% | 0.185 | S | C | . | . | trans | -69.6 | 151.4 | 176.8 | -60.6 | -63.8 | 178.3 | 164.8 | -7.2 | 111.8 | S194 D197 A201 | S194-R199 WeakPolarHBondContact O-CG 3.02Å; S194-R199 PolarHBondContact O-N 2.89Å; S194-R199 WeakPolarHBondContact OG-CB 3.41Å; S194-R199 WeakPolarHBondContact OG-CG 3.29Å; D197-R199 HydrophobicContact CB-CG 3.87Å; D197-R199 PolarHBondContact O-N 3.48Å; D197-R199 IonicContact OD2-CZ 2.79Å; D197-R199 IonicContact OD2-NE 3.77Å; D197-R199 PolarHBondContact OD2-NE 3.42Å; D197-R199 VanDerWaalsContact OD2-NE 3.13Å; D197-R199 IonicContact OD2-NH2 3.73Å; D197-R199 PolarHBondContact OD2-NH2 2.91Å; R199-A201 PolarHBondContact O-N 2.74Å | ||
| 200 | P | 96.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 54% | 0.539 | 19% | 0.194 | S | C | . | . | trans | -49.4 | 137.3 | -180 | -28.5 | 35.1 | 0 | 0 | 0 | 113 | N202 V203 T204 | P200-N202 VanDerWaalsContact C-N 3.29Å; P200-N202 PolarHBondContact O-N 3.42Å; P200-V203 HydrophobicContact CB-CG2 4.4Å; P200-V203 WeakPolarHBondContact O-CB 3.39Å; P200-V203 PolarHBondContact O-N 3.01Å; P200-T204 PolarHBondContact O-N 2.9Å | ||
| 201 | A | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -39.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R199 V203 T204 A205 Y258 I261 N262 | R199-A201 PolarHBondContact O-N 2.74Å; A201-V203 PolarHBondContact O-N 2.66Å; A201-T204 PolarHBondContact O-N 3.09Å; A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 3.07Å; A201-Y258 HydrophobicContact CB-CD1 3.98Å; A201-Y258 WeakPolarHBondContact CB-O 3.35Å; A201-I261 HydrophobicContact CB-CB 3.9Å; A201-I261 HydrophobicContact CB-CG2 3.69Å; A201-N262 HydrophobicContact CB-CB 4.01Å |
| 202 | N | 95.5 | Very high | 95.5 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -49.6 | -42.1 | 172.3 | -155.2 | -54.7 | 0 | 0 | 0 | 113.5 | P200 K206 N262 | P200-N202 VanDerWaalsContact C-N 3.29Å; P200-N202 PolarHBondContact O-N 3.42Å; N202-K206 WeakPolarHBondContact O-CG 3.1Å; N202-K206 PolarHBondContact O-N 3.06Å; N202-K206 VanDerWaalsContact O-N 3.12Å; N202-K206 WeakPolarHBondContact OD1-CD 3.08Å; N202-K206 WeakPolarHBondContact OD1-CE 3.35Å; N202-K206 PolarHBondContact OD1-NZ 3.47Å; N202-N262 VanDerWaalsContact CB-OD1 3.31Å; N202-N262 WeakPolarHBondContact CB-OD1 3.39Å; N202-N262 PolarHBondContact ND2-OD1 3.01Å; N202-N262 VanDerWaalsContact ND2-OD1 3.09Å |
| 203 | V | 96.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 42% | 0.424 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.6 | -51.5 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | P200 A201 A205 K206 L207 | P200-V203 HydrophobicContact CB-CG2 4.4Å; P200-V203 WeakPolarHBondContact O-CB 3.39Å; P200-V203 PolarHBondContact O-N 3.01Å; A201-V203 PolarHBondContact O-N 2.66Å; V203-A205 VanDerWaalsContact C-N 3.26Å; V203-A205 PolarHBondContact O-N 3.43Å; V203-K206 PolarHBondContact O-N 2.59Å; V203-L207 HydrophobicContact CG1-CD1 3.76Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.47Å; V203-L207 PolarHBondContact O-N 3.19Å |
| 204 | T | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -33.5 | 179.9 | -54.4 | 0 | 0 | 0 | 0 | 112 | S194 I195 P200 A201 S208 Y258 | S194-T204 PolarHBondContact OG-OG1 3.4Å; I195-T204 HydrophobicContact CG1-CG2 3.95Å; P200-T204 PolarHBondContact O-N 2.9Å; A201-T204 PolarHBondContact O-N 3.09Å; T204-S208 VanDerWaalsContact O-CB 3.32Å; T204-S208 WeakPolarHBondContact O-CB 3.43Å; T204-S208 PolarHBondContact O-N 3.01Å; T204-S208 PolarHBondContact O-OG 3.34Å; T204-Y258 HydrophobicContact CG2-CD1 4.37Å; T204-Y258 HydrophobicContact CG2-CD2 3.56Å; T204-Y258 HydrophobicContact CG2-CE1 4.31Å; T204-Y258 HydrophobicContact CG2-CE2 3.47Å; T204-Y258 VanDerWaalsContact CG2-CE2 3.47Å; T204-Y258 HydrophobicContact CG2-CG 4.03Å |
| 205 | A | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -51.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A201 V203 L207 S208 Q209 T255 I347 | A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 3.07Å; V203-A205 VanDerWaalsContact C-N 3.26Å; V203-A205 PolarHBondContact O-N 3.43Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.34Å; A205-S208 PolarHBondContact O-N 3.24Å; A205-Q209 WeakPolarHBondContact O-CB 3.47Å; A205-Q209 PolarHBondContact O-N 3.44Å; A205-T255 HydrophobicContact CB-CG2 4.44Å; A205-T255 PolarHBondContact O-OG1 3.04Å; A205-I347 HydrophobicContact CB-CD1 4.05Å |
| 206 | K | 97.9 | Very high | 95.8 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 35% | 0.352 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 178.6 | -76.8 | 169.9 | 173.6 | 158.5 | 0 | 113.3 | N202 V203 I347 V350 | N202-K206 WeakPolarHBondContact O-CG 3.1Å; N202-K206 PolarHBondContact O-N 3.06Å; N202-K206 VanDerWaalsContact O-N 3.12Å; N202-K206 WeakPolarHBondContact OD1-CD 3.08Å; N202-K206 WeakPolarHBondContact OD1-CE 3.35Å; N202-K206 PolarHBondContact OD1-NZ 3.47Å; V203-K206 PolarHBondContact O-N 2.59Å; K206-I347 HydrophobicContact CG-CG2 3.77Å; K206-V350 HydrophobicContact CB-CB 4.34Å; K206-V350 HydrophobicContact CB-CG2 4.1Å; K206-V350 HydrophobicContact CD-CG2 4.42Å; K206-V350 PolarHBondContact O-N 3.36Å |
| 207 | L | 97.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.4 | -66.6 | 172.4 | 0 | 0 | 0 | 111.6 | Q187 V190 V191 V203 A205 I352 | Q187-L207 VanDerWaalsContact NE2-CD2 3.34Å; Q187-L207 PolarHBondContact NE2-O 3Å; Q187-L207 VanDerWaalsContact NE2-O 3.1Å; V190-L207 HydrophobicContact CG1-CD1 4.18Å; V190-L207 HydrophobicContact CG1-CD2 4.43Å; V191-L207 HydrophobicContact CG2-CB 3.53Å; V203-L207 HydrophobicContact CG1-CD1 3.76Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.47Å; V203-L207 PolarHBondContact O-N 3.19Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.34Å; L207-I352 HydrophobicContact CD2-CD1 4.1Å; L207-I352 HydrophobicContact CD2-CG1 4.02Å; L207-I352 HydrophobicContact CD2-CG2 3.81Å |
| 208 | S | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | V191 T204 A205 Y210 I211 M212 T255 | V191-S208 WeakPolarHBondContact CG1-OG 3.38Å; T204-S208 VanDerWaalsContact O-CB 3.32Å; T204-S208 WeakPolarHBondContact O-CB 3.43Å; T204-S208 PolarHBondContact O-N 3.01Å; T204-S208 PolarHBondContact O-OG 3.34Å; A205-S208 PolarHBondContact O-N 3.24Å; S208-Y210 PolarHBondContact O-N 2.87Å; S208-I211 WeakPolarHBondContact O-CB 3.45Å; S208-I211 PolarHBondContact O-N 3.38Å; S208-M212 PolarHBondContact O-N 3.41Å; S208-M212 VanDerWaalsContact O-N 3.15Å; S208-T255 WeakPolarHBondContact CB-OG1 3.39Å |
| 209 | Q | 97.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | -177.3 | 178.4 | 56.3 | 23.3 | 0 | 0 | 112.6 | A205 I211 M212 E213 T255 I347 | A205-Q209 WeakPolarHBondContact O-CB 3.47Å; A205-Q209 PolarHBondContact O-N 3.44Å; Q209-I211 VanDerWaalsContact C-N 3.32Å; Q209-I211 PolarHBondContact O-N 3.26Å; Q209-M212 WeakPolarHBondContact O-CB 3.48Å; Q209-M212 PolarHBondContact O-N 2.85Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.48Å; Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CG 3.38Å; Q209-E213 PolarHBondContact O-N 2.66Å; Q209-T255 WeakPolarHBondContact CA-OG1 3.21Å; Q209-T255 HydrophobicContact CB-CG2 3.91Å; Q209-T255 HydrophobicContact CG-CG2 4.48Å; Q209-T255 PolarHBondContact N-OG1 3.06Å; Q209-T255 VanDerWaalsContact N-OG1 3.12Å; Q209-I347 HydrophobicContact CB-CG2 4.09Å; Q209-I347 HydrophobicContact CG-CB 4.47Å; Q209-I347 HydrophobicContact CG-CG2 4.18Å; Q209-I347 WeakPolarHBondContact CG-O 3.37Å |
| 210 | Y | 97 | Very high | 95.7 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 175.3 | 175.7 | -99.4 | 0 | 0 | 0 | 112.5 | Q187 S208 M212 E213 V214 C351 | Q187-Y210 HydrophobicContact CB-CD1 4.46Å; Q187-Y210 HydrophobicContact CG-CD1 4.02Å; S208-Y210 PolarHBondContact O-N 2.87Å; Y210-M212 VanDerWaalsContact C-N 3.31Å; Y210-M212 PolarHBondContact O-N 2.52Å; Y210-E213 PolarHBondContact O-N 2.86Å; Y210-V214 HydrophobicContact CD1-CG2 4.29Å; Y210-V214 HydrophobicContact CD2-CG2 4.18Å; Y210-V214 HydrophobicContact CE1-CG2 3.79Å; Y210-V214 HydrophobicContact CE2-CG2 3.66Å; Y210-V214 HydrophobicContact CG-CG2 4.48Å; Y210-V214 VanDerWaalsContact CZ-CG2 3.46Å; Y210-V214 WeakPolarHBondContact O-CG2 3.26Å; Y210-V214 PolarHBondContact O-N 3.3Å; Y210-C351 HydrophobicContact CD1-CB 3.68Å; Y210-C351 HydrophobicContact CD2-CB 3.9Å; Y210-C351 HydrophobicContact CE1-CB 3.5Å; Y210-C351 WeakPolarHBondContact CE1-SG 3.4Å; Y210-C351 HydrophobicContact CE2-CB 3.73Å; Y210-C351 HydrophobicContact CG-CB 3.86Å |
| 211 | I | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 177 | -58.6 | 171.3 | 0 | 0 | 0 | 110.5 | Q187 E188 V191 S208 Q209 V214 Y215 Y251 | Q187-I211 HydrophobicContact CB-CD1 4.35Å; Q187-I211 HydrophobicContact CB-CG1 3.89Å; Q187-I211 HydrophobicContact CG-CD1 3.85Å; Q187-I211 HydrophobicContact CG-CG1 3.4Å; Q187-I211 VanDerWaalsContact CG-CG1 3.4Å; E188-I211 HydrophobicContact CB-CD1 4.25Å; V191-I211 HydrophobicContact CB-CD1 3.86Å; V191-I211 HydrophobicContact CG2-CD1 3.49Å; V191-I211 VanDerWaalsContact CG2-CD1 3.49Å; S208-I211 WeakPolarHBondContact O-CB 3.45Å; S208-I211 PolarHBondContact O-N 3.38Å; Q209-I211 VanDerWaalsContact C-N 3.32Å; Q209-I211 PolarHBondContact O-N 3.26Å; I211-V214 PolarHBondContact O-N 2.87Å; I211-Y215 HydrophobicContact CG2-CD2 3.4Å; I211-Y215 HydrophobicContact CG2-CE2 3.24Å; I211-Y215 VanDerWaalsContact O-CD2 3.3Å; I211-Y215 WeakPolarHBondContact O-CD2 3.43Å; I211-Y215 PolarHBondContact O-N 2.99Å; I211-Y251 HydrophobicContact CB-CD1 4.42Å; I211-Y251 HydrophobicContact CB-CD2 4.35Å; I211-Y251 HydrophobicContact CB-CG 4.12Å; I211-Y251 HydrophobicContact CD1-CD1 4.03Å; I211-Y251 HydrophobicContact CD1-CE1 3.98Å; I211-Y251 HydrophobicContact CG2-CD1 4.29Å; I211-Y251 HydrophobicContact CG2-CD2 3.48Å; I211-Y251 VanDerWaalsContact CG2-CD2 3.48Å; I211-Y251 HydrophobicContact CG2-CE2 3.87Å; I211-Y251 HydrophobicContact CG2-CG 3.75Å |
| 212 | M | 95 | Very high | 94.8 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 14% | 0.138 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 179 | 178.5 | -89.9 | -110.1 | 0 | 0 | 111.6 | S208 Q209 Y210 V214 Y215 E216 T248 | S208-M212 PolarHBondContact O-N 3.41Å; S208-M212 VanDerWaalsContact O-N 3.15Å; Q209-M212 WeakPolarHBondContact O-CB 3.48Å; Q209-M212 PolarHBondContact O-N 2.85Å; Y210-M212 VanDerWaalsContact C-N 3.31Å; Y210-M212 PolarHBondContact O-N 2.52Å; M212-V214 PolarHBondContact O-N 2.8Å; M212-Y215 PolarHBondContact O-N 3.36Å; M212-E216 WeakPolarHBondContact O-CB 3.45Å; M212-E216 PolarHBondContact O-N 3.5Å; M212-T248 HydrophobicContact CG-CG2 4.06Å; M212-T248 WeakPolarHBondContact CG-O 3.45Å |
| 213 | E | 96 | Very high | 94.2 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 30% | 0.304 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 176.6 | -70 | 163.4 | -179.9 | 0 | 0 | 112.1 | Q209 Y210 N217 | Q209-E213 WeakPolarHBondContact CG-OE1 3.48Å; Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CG 3.38Å; Q209-E213 PolarHBondContact O-N 2.66Å; Y210-E213 PolarHBondContact O-N 2.86Å; E213-N217 WeakPolarHBondContact O-CB 3.09Å; E213-N217 PolarHBondContact O-N 3.12Å; E213-N217 VanDerWaalsContact O-N 3.11Å |
| 214 | V | 96.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.1 | -42.8 | 180 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | A184 Y210 I211 M212 E216 N217 V218 | A184-V214 HydrophobicContact CB-CB 4.25Å; A184-V214 HydrophobicContact CB-CG1 3.85Å; Y210-V214 HydrophobicContact CD1-CG2 4.29Å; Y210-V214 HydrophobicContact CD2-CG2 4.18Å; Y210-V214 HydrophobicContact CE1-CG2 3.79Å; Y210-V214 HydrophobicContact CE2-CG2 3.66Å; Y210-V214 HydrophobicContact CG-CG2 4.48Å; Y210-V214 VanDerWaalsContact CZ-CG2 3.46Å; Y210-V214 WeakPolarHBondContact O-CG2 3.26Å; Y210-V214 PolarHBondContact O-N 3.3Å; I211-V214 PolarHBondContact O-N 2.87Å; M212-V214 PolarHBondContact O-N 2.8Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.49Å; V214-N217 PolarHBondContact O-N 3.25Å; V214-V218 HydrophobicContact CG1-CG2 4.03Å; V214-V218 WeakPolarHBondContact O-CB 3.38Å; V214-V218 VanDerWaalsContact O-CG2 3.27Å; V214-V218 WeakPolarHBondContact O-CG2 3.32Å; V214-V218 PolarHBondContact O-N 3.2Å |
| 215 | Y | 96.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -30.1 | 176.8 | -76.6 | -50.3 | 0 | 0 | 0 | 112.8 | L181 A184 Q185 E188 I211 M212 G219 C244 K247 T248 Y251 | L181-Y215 HydrophobicContact CD1-CD1 4.21Å; L181-Y215 HydrophobicContact CD1-CE1 3.79Å; A184-Y215 HydrophobicContact CB-CD1 4.3Å; A184-Y215 HydrophobicContact CB-CE1 3.92Å; A184-Y215 HydrophobicContact CB-CE2 4.26Å; Q185-Y215 WeakPolarHBondContact CG-OH 3.43Å; E188-Y215 PolarHBondContact OE2-OH 2.65Å; I211-Y215 HydrophobicContact CG2-CD2 3.4Å; I211-Y215 HydrophobicContact CG2-CE2 3.24Å; I211-Y215 VanDerWaalsContact O-CD2 3.3Å; I211-Y215 WeakPolarHBondContact O-CD2 3.43Å; I211-Y215 PolarHBondContact O-N 2.99Å; M212-Y215 PolarHBondContact O-N 3.36Å; Y215-G219 PolarHBondContact O-N 2.95Å; Y215-C244 HydrophobicContact CD1-CB 4.45Å; Y215-K247 HydrophobicContact CD2-CB 3.51Å; Y215-K247 HydrophobicContact CD2-CD 4.05Å; Y215-K247 HydrophobicContact CD2-CG 4.42Å; Y215-K247 HydrophobicContact CE1-CD 4.05Å; Y215-K247 HydrophobicContact CE2-CB 3.73Å; Y215-K247 HydrophobicContact CE2-CD 3.36Å; Y215-K247 HydrophobicContact CE2-CG 4.16Å; Y215-K247 HydrophobicContact CG-CB 4.04Å; Y215-K247 WeakPolarHBondContact OH-CD 3.43Å; Y215-K247 PolarHBondContact OH-NZ 2.93Å; Y215-T248 WeakPolarHBondContact CB-OG1 3.48Å; Y215-Y251 HydrophobicContact CD2-CD2 4.41Å; Y215-Y251 HydrophobicContact CE2-CD2 4.35Å; Y215-Y251 HydrophobicContact CE2-CE2 4.33Å |
| 216 | E | 95.5 | Very high | 90.9 | Very high | 119 Ų | 119 | 39 Ų | 39 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.8 | -50.2 | 171.7 | -174.2 | 163.8 | -133.1 | 0 | 0 | 111.1 | M212 V214 G219 A220 T248 | M212-E216 WeakPolarHBondContact O-CB 3.45Å; M212-E216 PolarHBondContact O-N 3.5Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.49Å; E216-G219 PolarHBondContact O-N 3.05Å; E216-A220 PolarHBondContact O-N 3.19Å; E216-T248 HydrophobicContact CB-CG2 3.88Å; E216-T248 HydrophobicContact CG-CG2 4.4Å; E216-T248 PolarHBondContact N-OG1 3.28Å |
| 217 | N | 94.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 178 | -173.1 | 15.8 | 0 | 0 | 0 | 112.5 | E213 V214 G219 A220 Q221 | E213-N217 WeakPolarHBondContact O-CB 3.09Å; E213-N217 PolarHBondContact O-N 3.12Å; E213-N217 VanDerWaalsContact O-N 3.11Å; V214-N217 PolarHBondContact O-N 3.25Å; N217-G219 VanDerWaalsContact C-N 3.32Å; N217-G219 PolarHBondContact O-N 3.45Å; N217-A220 PolarHBondContact O-N 3.11Å; N217-Q221 VanDerWaalsContact CG-NE2 3.34Å; N217-Q221 PolarHBondContact ND2-NE2 3.08Å; N217-Q221 WeakPolarHBondContact O-CG 3.29Å; N217-Q221 PolarHBondContact O-N 3.32Å; N217-Q221 PolarHBondContact OD1-NE2 3.06Å |
| 218 | V | 93.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | L177 L181 V214 A220 Q221 L222 | L177-V218 HydrophobicContact CD1-CB 4.12Å; L177-V218 HydrophobicContact CD1-CG1 3.87Å; L177-V218 HydrophobicContact CD1-CG2 4.09Å; L177-V218 HydrophobicContact CG-CG1 4.39Å; L181-V218 HydrophobicContact CB-CG1 4.38Å; L181-V218 HydrophobicContact CD1-CG1 4.06Å; V214-V218 HydrophobicContact CG1-CG2 4.03Å; V214-V218 WeakPolarHBondContact O-CB 3.38Å; V214-V218 VanDerWaalsContact O-CG2 3.27Å; V214-V218 WeakPolarHBondContact O-CG2 3.32Å; V214-V218 PolarHBondContact O-N 3.2Å; V218-A220 VanDerWaalsContact C-N 3.33Å; V218-A220 PolarHBondContact O-N 2.76Å; V218-Q221 PolarHBondContact O-N 3.19Å; V218-L222 HydrophobicContact CG1-CD1 4.18Å; V218-L222 WeakPolarHBondContact O-CB 3.41Å; V218-L222 VanDerWaalsContact O-CG 3.29Å; V218-L222 WeakPolarHBondContact O-CG 3.42Å; V218-L222 PolarHBondContact O-N 3.21Å |
| 219 | G | 90.8 | Very high | 85.5 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y215 E216 N217 | Y215-G219 PolarHBondContact O-N 2.95Å; E216-G219 PolarHBondContact O-N 3.05Å; N217-G219 VanDerWaalsContact C-N 3.32Å; N217-G219 PolarHBondContact O-N 3.45Å |
| 220 | A | 91 | Very high | 83.5 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 51% | 0.512 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.7 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E216 N217 V218 L222 L223 G224 | E216-A220 PolarHBondContact O-N 3.19Å; N217-A220 PolarHBondContact O-N 3.11Å; V218-A220 VanDerWaalsContact C-N 3.33Å; V218-A220 PolarHBondContact O-N 2.76Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 2.88Å; A220-L223 VanDerWaalsContact O-CB 3.29Å; A220-L223 WeakPolarHBondContact O-CB 3.19Å; A220-L223 PolarHBondContact O-N 3.26Å; A220-G224 PolarHBondContact O-N 3.05Å |
| 221 | Q | 88.8 | Confident | 81.7 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.8 | -71.6 | 175.8 | 42.5 | 0 | 0 | 111.8 | L177 N217 V218 L223 G224 F225 | L177-Q221 HydrophobicContact CD1-CB 3.56Å; L177-Q221 HydrophobicContact CD1-CG 4.32Å; N217-Q221 VanDerWaalsContact CG-NE2 3.34Å; N217-Q221 PolarHBondContact ND2-NE2 3.08Å; N217-Q221 WeakPolarHBondContact O-CG 3.29Å; N217-Q221 PolarHBondContact O-N 3.32Å; N217-Q221 PolarHBondContact OD1-NE2 3.06Å; V218-Q221 PolarHBondContact O-N 3.19Å; Q221-L223 PolarHBondContact O-N 2.59Å; Q221-L223 VanDerWaalsContact O-N 3.09Å; Q221-G224 PolarHBondContact O-N 2.94Å; Q221-F225 VanDerWaalsContact O-CD2 3.29Å; Q221-F225 WeakPolarHBondContact O-CD2 3.48Å; Q221-F225 PolarHBondContact O-N 2.95Å |
| 222 | L | 85.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -19.6 | 173.5 | -76.5 | 171.5 | 0 | 0 | 0 | 114.4 | L177 V218 A220 W240 R241 | L177-L222 HydrophobicContact CD2-CD2 3.68Å; L177-L222 HydrophobicContact CD2-CG 4.01Å; V218-L222 HydrophobicContact CG1-CD1 4.18Å; V218-L222 WeakPolarHBondContact O-CB 3.41Å; V218-L222 VanDerWaalsContact O-CG 3.29Å; V218-L222 WeakPolarHBondContact O-CG 3.42Å; V218-L222 PolarHBondContact O-N 3.21Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 2.88Å; L222-W240 HydrophobicContact CD1-CB 3.89Å; L222-R241 HydrophobicContact CB-CB 4.08Å; L222-R241 HydrophobicContact CB-CG 4.46Å; L222-R241 HydrophobicContact CD1-CB 4.18Å |
| 223 | L | 82.9 | Confident | 78.2 | Confident | 91 Ų | 91 | 61 Ų | 61 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.3 | -32 | 172.9 | -170.2 | 67.4 | 0 | 0 | 0 | 112.1 | A220 Q221 E226 S227 | A220-L223 VanDerWaalsContact O-CB 3.29Å; A220-L223 WeakPolarHBondContact O-CB 3.19Å; A220-L223 PolarHBondContact O-N 3.26Å; Q221-L223 PolarHBondContact O-N 2.59Å; Q221-L223 VanDerWaalsContact O-N 3.09Å; L223-E226 PolarHBondContact O-N 3.43Å; L223-S227 PolarHBondContact O-OG 2.92Å |
| 224 | G | 78.4 | Confident | 76.5 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A220 Q221 E226 S227 | A220-G224 PolarHBondContact O-N 3.05Å; Q221-G224 PolarHBondContact O-N 2.94Å; G224-E226 PolarHBondContact O-N 3.17Å; G224-S227 PolarHBondContact O-N 3.31Å |
| 225 | F | 74.4 | Confident | 75.3 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.022 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -27.6 | 175.2 | -73.6 | -75.1 | 0 | 0 | 0 | 113.9 | E173 L174 L177 Q221 S227 I231 L233 | E173-F225 HydrophobicContact CB-CZ 4.07Å; E173-F225 HydrophobicContact CG-CE2 4.37Å; E173-F225 HydrophobicContact CG-CZ 3.71Å; L174-F225 HydrophobicContact CB-CE1 4.29Å; L174-F225 HydrophobicContact CB-CZ 4.13Å; L174-F225 HydrophobicContact CD1-CE1 4.47Å; L174-F225 HydrophobicContact CD1-CE2 4.39Å; L174-F225 HydrophobicContact CD1-CZ 4.26Å; L177-F225 HydrophobicContact CD2-CD2 4.19Å; L177-F225 HydrophobicContact CD2-CE2 3.88Å; Q221-F225 VanDerWaalsContact O-CD2 3.29Å; Q221-F225 WeakPolarHBondContact O-CD2 3.48Å; Q221-F225 PolarHBondContact O-N 2.95Å; F225-S227 PolarHBondContact O-N 3.07Å; F225-I231 HydrophobicContact CD1-CB 4.44Å; F225-I231 HydrophobicContact CD1-CD1 3.89Å; F225-I231 HydrophobicContact CD1-CG2 4.28Å; F225-I231 HydrophobicContact CE1-CD1 3.72Å; F225-L233 HydrophobicContact CB-CD1 3.76Å; F225-L233 HydrophobicContact CD1-CD1 3.82Å; F225-L233 HydrophobicContact CG-CD1 3.79Å |
| 226 | E | 67.1 | Low | 74.3 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.6 | 175.2 | -74.4 | 177.7 | -168.6 | 0 | 0 | 113.8 | L223 G224 S237 K238 R241 | L223-E226 PolarHBondContact O-N 3.43Å; G224-E226 PolarHBondContact O-N 3.17Å; E226-S237 WeakPolarHBondContact CG-OG 3.4Å; E226-S237 VanDerWaalsContact OE1-CB 3.32Å; E226-S237 WeakPolarHBondContact OE1-CB 3.31Å; E226-S237 PolarHBondContact OE1-OG 3.33Å; E226-K238 WeakPolarHBondContact OE1-CA 3.35Å; E226-K238 PolarHBondContact OE1-N 2.98Å; E226-R241 IonicContact OE1-CZ 3.37Å; E226-R241 VanDerWaalsContact OE1-CZ 3.26Å; E226-R241 IonicContact OE1-NE 2.7Å; E226-R241 PolarHBondContact OE1-NE 3.26Å; E226-R241 IonicContact OE1-NH2 3.13Å; E226-R241 PolarHBondContact OE1-NH2 2.65Å; E226-R241 IonicContact OE2-CZ 2.79Å; E226-R241 VanDerWaalsContact OE2-CZ 3.28Å; E226-R241 IonicContact OE2-NE 2.63Å; E226-R241 PolarHBondContact OE2-NE 3.05Å; E226-R241 IonicContact OE2-NH2 2.74Å; E226-R241 PolarHBondContact OE2-NH2 3.07Å |
| 227 | S | 65.1 | Low | 73.3 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 69% | 0.685 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 4.5 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | L223 G224 F225 | L223-S227 PolarHBondContact O-OG 2.92Å; G224-S227 PolarHBondContact O-N 3.31Å; F225-S227 PolarHBondContact O-N 3.07Å |
| 228 | N | 59.6 | Low | 72.6 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | trans | -122.1 | 93.3 | -166.4 | -139.6 | -10.6 | 0 | 0 | 0 | 109.8 | K230 I231 | N228-K230 PolarHBondContact O-N 3.27Å; N228-I231 PolarHBondContact O-N 2.97Å | ||
| 229 | D | 54.7 | Low | 72.1 | Confident | 172 Ų | 172 | 70.9 Ų | 70.9 | 92% | 0.92 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -4.3 | -171 | -72.1 | -33.7 | 0 | 0 | 0 | 116.5 | ||
| 230 | K | 55.7 | Low | 71.9 | Confident | 175 Ų | 175 | 70.8 Ų | 70.8 | 76% | 0.761 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.5 | -177.8 | -65.2 | -176.6 | 178.5 | 179.6 | 0 | 114.9 | N228 | N228-K230 PolarHBondContact O-N 3.27Š|
| 231 | I | 58.8 | Low | 71.8 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -125.8 | 106.5 | -175.8 | -54.8 | 178.4 | 0 | 0 | 0 | 109.2 | T171 L174 F225 N228 L233 | T171-I231 HydrophobicContact CG2-CD1 4.22Å; L174-I231 HydrophobicContact CD2-CG2 4.32Å; F225-I231 HydrophobicContact CD1-CB 4.44Å; F225-I231 HydrophobicContact CD1-CD1 3.89Å; F225-I231 HydrophobicContact CD1-CG2 4.28Å; F225-I231 HydrophobicContact CE1-CD1 3.72Å; N228-I231 PolarHBondContact O-N 2.97Å; I231-L233 HydrophobicContact CG2-CD1 3.66Å; I231-L233 HydrophobicContact CG2-CG 4.02Å; I231-L233 PolarHBondContact O-N 3.03Å |
| 232 | V | 55.6 | Low | 71.7 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | trans | -80.9 | 60.4 | -167.2 | -166.2 | 0 | 0 | 0 | 0 | 112.3 | F100 P234 | F100-V232 WeakPolarHBondContact CB-O 3.34Å; V232-P234 WeakPolarHBondContact O-CD 3.45Å | ||
| 233 | L | 62.5 | Low | 71.9 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | trans | -84.6 | -6.2 | 176.7 | -82.4 | 159.8 | 0 | 0 | 0 | 118.1 | F100 L174 F225 I231 K235 Y236 S237 W240 | F100-L233 HydrophobicContact CD1-CD2 3.71Å; F100-L233 HydrophobicContact CD2-CD2 4.22Å; F100-L233 HydrophobicContact CE1-CD2 3.59Å; F100-L233 HydrophobicContact CE2-CD2 4.13Å; F100-L233 HydrophobicContact CG-CD2 4.03Å; F100-L233 HydrophobicContact CZ-CD2 3.83Å; L174-L233 HydrophobicContact CD1-CD1 3.74Å; L174-L233 HydrophobicContact CD1-CD2 4.46Å; L174-L233 HydrophobicContact CD2-CD1 3.97Å; L174-L233 HydrophobicContact CD2-CD2 4.46Å; L174-L233 HydrophobicContact CD2-CG 4.5Å; F225-L233 HydrophobicContact CB-CD1 3.76Å; F225-L233 HydrophobicContact CD1-CD1 3.82Å; F225-L233 HydrophobicContact CG-CD1 3.79Å; I231-L233 HydrophobicContact CG2-CD1 3.66Å; I231-L233 HydrophobicContact CG2-CG 4.02Å; I231-L233 PolarHBondContact O-N 3.03Å; L233-K235 VanDerWaalsContact C-N 3.27Å; L233-K235 PolarHBondContact O-N 3.35Å; L233-Y236 PolarHBondContact O-N 3.13Å; L233-S237 PolarHBondContact O-N 3.17Å; L233-S237 PolarHBondContact O-OG 3.08Å; L233-W240 HydrophobicContact CD2-CZ3 4.42Å | ||
| 234 | P | 60.8 | Low | 72.4 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.4 | -18.1 | -154.8 | 27.2 | -35.9 | 0 | 0 | 0 | 115.9 | V232 | V232-P234 WeakPolarHBondContact O-CD 3.45Å |
| 235 | K | 69 | Low | 73.1 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.4 | -41.1 | 172 | -173.2 | -177.9 | 177.9 | -173.3 | 0 | 111.8 | L233 | L233-K235 VanDerWaalsContact C-N 3.27Å; L233-K235 PolarHBondContact O-N 3.35Å |
| 236 | Y | 75.6 | Confident | 74 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -94.8 | -38.1 | -173.8 | -62.7 | -75.9 | 0 | 0 | 0 | 112.6 | F100 L233 K238 E239 W240 | F100-Y236 AromaticContact CD1-CD2 3.78Å; F100-Y236 HydrophobicContact CD1-CD2 3.78Å; F100-Y236 HydrophobicContact CD1-CE2 4.19Å; L233-Y236 PolarHBondContact O-N 3.13Å; Y236-K238 VanDerWaalsContact C-N 3.32Å; Y236-K238 PolarHBondContact O-N 3.15Å; Y236-E239 PolarHBondContact O-N 2.66Å; Y236-E239 VanDerWaalsContact O-N 3.15Å; Y236-W240 HydrophobicContact CD1-CZ2 4.18Å; Y236-W240 HydrophobicContact CG-CZ2 4.37Å; Y236-W240 WeakPolarHBondContact O-CB 3.46Å; Y236-W240 PolarHBondContact O-N 3.12Å |
| 237 | S | 75.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.4 | -47.9 | -178.5 | 63.7 | 0 | 0 | 0 | 0 | 112 | E226 L233 E239 W240 R241 | E226-S237 WeakPolarHBondContact CG-OG 3.4Å; E226-S237 VanDerWaalsContact OE1-CB 3.32Å; E226-S237 WeakPolarHBondContact OE1-CB 3.31Å; E226-S237 PolarHBondContact OE1-OG 3.33Å; L233-S237 PolarHBondContact O-N 3.17Å; L233-S237 PolarHBondContact O-OG 3.08Å; S237-E239 VanDerWaalsContact C-N 3.31Å; S237-E239 PolarHBondContact O-N 3.21Å; S237-W240 PolarHBondContact O-N 3.43Å; S237-R241 WeakPolarHBondContact O-CB 3.46Å; S237-R241 PolarHBondContact O-N 3.16Å |
| 238 | K | 80.1 | Confident | 76.8 | Confident | 144 Ų | 144 | 62.4 Ų | 62.4 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | -177.5 | -175.3 | 172.4 | -178.3 | 175.4 | 0 | 112.5 | E226 Y236 R242 | E226-K238 WeakPolarHBondContact OE1-CA 3.35Å; E226-K238 PolarHBondContact OE1-N 2.98Å; Y236-K238 VanDerWaalsContact C-N 3.32Å; Y236-K238 PolarHBondContact O-N 3.15Å; K238-R242 WeakPolarHBondContact O-CB 3.5Å; K238-R242 PolarHBondContact O-N 2.82Å |
| 239 | E | 82.5 | Confident | 78.6 | Confident | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.1 | -51.2 | 176.5 | -160.5 | -159.6 | 124.4 | 0 | 0 | 111 | Y236 S237 R241 R242 R243 F293 | Y236-E239 PolarHBondContact O-N 2.66Å; Y236-E239 VanDerWaalsContact O-N 3.15Å; S237-E239 VanDerWaalsContact C-N 3.31Å; S237-E239 PolarHBondContact O-N 3.21Å; E239-R241 PolarHBondContact O-N 3.39Å; E239-R242 WeakPolarHBondContact O-CB 3.46Å; E239-R242 PolarHBondContact O-N 3.27Å; E239-R242 VanDerWaalsContact O-N 3.08Å; E239-R243 WeakPolarHBondContact O-CG 3.28Å; E239-R243 PolarHBondContact O-N 2.59Å; E239-R243 IonicContact OE1-CZ 2.69Å; E239-R243 IonicContact OE1-NE 3.51Å; E239-R243 PolarHBondContact OE1-NE 2.69Å; E239-R243 IonicContact OE1-NH2 2.75Å; E239-R243 PolarHBondContact OE1-NH2 3.42Å; E239-F293 HydrophobicContact CG-CE2 4.36Å; E239-F293 HydrophobicContact CG-CZ 4.22Å |
| 240 | W | 87.5 | Confident | 80.6 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 4% | 0.038 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | -179.5 | -66.3 | -13.1 | 0 | 0 | 0 | 112.3 | V10 L12 F100 F178 L222 L233 Y236 S237 R242 R243 C244 | V10-W240 HydrophobicContact CG1-CD2 4.34Å; V10-W240 HydrophobicContact CG1-CG 4.3Å; V10-W240 HydrophobicContact CG1-CZ2 4.29Å; L12-W240 HydrophobicContact CD2-CH2 4.11Å; L12-W240 HydrophobicContact CD2-CZ2 4.48Å; F100-W240 HydrophobicContact CE1-CH2 4.08Å; F100-W240 HydrophobicContact CE1-CZ3 4.29Å; F178-W240 HydrophobicContact CE1-CE3 4.14Å; F178-W240 HydrophobicContact CE1-CH2 4.19Å; F178-W240 AromaticContact CE1-CZ3 3.45Å; F178-W240 HydrophobicContact CE1-CZ3 3.45Å; F178-W240 VanDerWaalsContact CE1-CZ3 3.45Å; F178-W240 HydrophobicContact CZ-CH2 4.14Å; F178-W240 AromaticContact CZ-CZ3 3.65Å; F178-W240 HydrophobicContact CZ-CZ3 3.65Å; L222-W240 HydrophobicContact CD1-CB 3.89Å; L233-W240 HydrophobicContact CD2-CZ3 4.42Å; Y236-W240 HydrophobicContact CD1-CZ2 4.18Å; Y236-W240 HydrophobicContact CG-CZ2 4.37Å; Y236-W240 WeakPolarHBondContact O-CB 3.46Å; Y236-W240 PolarHBondContact O-N 3.12Å; S237-W240 PolarHBondContact O-N 3.43Å; W240-R242 VanDerWaalsContact C-N 3.27Å; W240-R242 PolarHBondContact O-N 3.4Å; W240-R243 PolarHBondContact O-N 3.5Å; W240-C244 WeakPolarHBondContact O-CB 3.3Å; W240-C244 PolarHBondContact O-N 3.47Å; W240-C244 PolarHBondContact O-SG 2.81Å |
| 241 | R | 87.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 172.7 | -178.5 | 166 | 54.2 | 80.7 | -1.7 | 111.4 | L222 E226 S237 E239 C244 Q245 | L222-R241 HydrophobicContact CB-CB 4.08Å; L222-R241 HydrophobicContact CB-CG 4.46Å; L222-R241 HydrophobicContact CD1-CB 4.18Å; E226-R241 IonicContact OE1-CZ 3.37Å; E226-R241 VanDerWaalsContact OE1-CZ 3.26Å; E226-R241 IonicContact OE1-NE 2.7Å; E226-R241 PolarHBondContact OE1-NE 3.26Å; E226-R241 IonicContact OE1-NH2 3.13Å; E226-R241 PolarHBondContact OE1-NH2 2.65Å; E226-R241 IonicContact OE2-CZ 2.79Å; E226-R241 VanDerWaalsContact OE2-CZ 3.28Å; E226-R241 IonicContact OE2-NE 2.63Å; E226-R241 PolarHBondContact OE2-NE 3.05Å; E226-R241 IonicContact OE2-NH2 2.74Å; E226-R241 PolarHBondContact OE2-NH2 3.07Å; S237-R241 WeakPolarHBondContact O-CB 3.46Å; S237-R241 PolarHBondContact O-N 3.16Å; E239-R241 PolarHBondContact O-N 3.39Å; R241-C244 PolarHBondContact O-N 3.44Å; R241-Q245 VanDerWaalsContact O-CG 3.32Å; R241-Q245 WeakPolarHBondContact O-CG 3.5Å; R241-Q245 PolarHBondContact O-N 3.34Å |
| 242 | R | 87.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.2 | -38.9 | 175.6 | -170.8 | 54.4 | 168.2 | -174.8 | -1.5 | 112.8 | K238 E239 W240 Q245 I246 N289 F293 | K238-R242 WeakPolarHBondContact O-CB 3.5Å; K238-R242 PolarHBondContact O-N 2.82Å; E239-R242 WeakPolarHBondContact O-CB 3.46Å; E239-R242 PolarHBondContact O-N 3.27Å; E239-R242 VanDerWaalsContact O-N 3.08Å; W240-R242 VanDerWaalsContact C-N 3.27Å; W240-R242 PolarHBondContact O-N 3.4Å; R242-Q245 VanDerWaalsContact CD-OE1 3.24Å; R242-Q245 PolarHBondContact O-N 2.96Å; R242-I246 HydrophobicContact CG-CD1 4.46Å; R242-I246 WeakPolarHBondContact O-CG1 3.24Å; R242-I246 PolarHBondContact O-N 3.05Å; R242-I246 VanDerWaalsContact O-N 3.14Å; R242-N289 VanDerWaalsContact CZ-OD1 3.26Å; R242-N289 PolarHBondContact NE-O 3.07Å; R242-N289 PolarHBondContact NH1-OD1 2.85Å; R242-N289 VanDerWaalsContact NH2-CA 3.27Å; R242-N289 PolarHBondContact NH2-O 3.17Å; R242-N289 PolarHBondContact NH2-OD1 3.15Å; R242-N289 VanDerWaalsContact NH2-OD1 3.13Å; R242-F293 HydrophobicContact CB-CD2 4.5Å; R242-F293 HydrophobicContact CB-CE2 4.2Å; R242-F293 HydrophobicContact CG-CD2 3.76Å; R242-F293 HydrophobicContact CG-CE2 3.96Å |
| 243 | R | 90.3 | Very high | 86.4 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 170.8 | -67.4 | 178.3 | -179.4 | -133.4 | 10.9 | 110.9 | A9 E239 W240 I246 K247 F293 Y308 | A9-R243 PolarHBondContact O-NH1 3.4Å; E239-R243 WeakPolarHBondContact O-CG 3.28Å; E239-R243 PolarHBondContact O-N 2.59Å; E239-R243 IonicContact OE1-CZ 2.69Å; E239-R243 IonicContact OE1-NE 3.51Å; E239-R243 PolarHBondContact OE1-NE 2.69Å; E239-R243 IonicContact OE1-NH2 2.75Å; E239-R243 PolarHBondContact OE1-NH2 3.42Å; W240-R243 PolarHBondContact O-N 3.5Å; R243-I246 PolarHBondContact O-N 3.42Å; R243-K247 WeakPolarHBondContact O-CG 3.34Å; R243-K247 PolarHBondContact O-N 2.97Å; R243-F293 HydrophobicContact CG-CE1 4.45Å; R243-F293 HydrophobicContact CG-CE2 4.24Å; R243-F293 HydrophobicContact CG-CZ 3.68Å; R243-Y308 HydrophobicContact CG-CE2 4.09Å |
| 244 | C | 92.6 | Very high | 88 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | Y215 W240 R241 I246 K247 T248 | Y215-C244 HydrophobicContact CD1-CB 4.45Å; W240-C244 WeakPolarHBondContact O-CB 3.3Å; W240-C244 PolarHBondContact O-N 3.47Å; W240-C244 PolarHBondContact O-SG 2.81Å; R241-C244 PolarHBondContact O-N 3.44Å; C244-I246 VanDerWaalsContact C-N 3.31Å; C244-I246 PolarHBondContact O-N 2.8Å; C244-K247 CarbonylContact O-C 3.46Å; C244-K247 WeakPolarHBondContact O-CA 3.42Å; C244-K247 PolarHBondContact O-N 3.2Å; C244-T248 PolarHBondContact O-N 3.19Å; C244-T248 PolarHBondContact O-OG1 2.83Å |
| 245 | Q | 92.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -52.9 | -45 | 175.8 | -76.8 | 174 | -9.2 | 0 | 0 | 113.2 | R241 R242 S249 | R241-Q245 VanDerWaalsContact O-CG 3.32Å; R241-Q245 WeakPolarHBondContact O-CG 3.5Å; R241-Q245 PolarHBondContact O-N 3.34Å; R242-Q245 VanDerWaalsContact CD-OE1 3.24Å; R242-Q245 PolarHBondContact O-N 2.96Å; Q245-S249 PolarHBondContact O-N 3.35Å; Q245-S249 PolarHBondContact O-OG 3.25Å |
| 246 | I | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.6 | -64.8 | 164.1 | 0 | 0 | 0 | 110.4 | R242 R243 C244 F250 C286 N289 A290 F293 Y308 | R242-I246 HydrophobicContact CG-CD1 4.46Å; R242-I246 WeakPolarHBondContact O-CG1 3.24Å; R242-I246 PolarHBondContact O-N 3.05Å; R242-I246 VanDerWaalsContact O-N 3.14Å; R243-I246 PolarHBondContact O-N 3.42Å; C244-I246 VanDerWaalsContact C-N 3.31Å; C244-I246 PolarHBondContact O-N 2.8Å; I246-F250 WeakPolarHBondContact O-CB 3.25Å; I246-F250 PolarHBondContact O-N 3.35Å; I246-C286 PolarHBondContact O-SG 2.97Å; I246-C286 VanDerWaalsContact O-SG 3.39Å; I246-N289 HydrophobicContact CG1-CB 3.86Å; I246-A290 HydrophobicContact CD1-CB 4.36Å; I246-A290 HydrophobicContact CG2-CB 4.4Å; I246-F293 HydrophobicContact CD1-CB 4.17Å; I246-F293 HydrophobicContact CD1-CD2 4.08Å; I246-F293 HydrophobicContact CD1-CG 4.03Å; I246-Y308 HydrophobicContact CB-CD1 4.33Å; I246-Y308 HydrophobicContact CD1-CG 4.41Å; I246-Y308 HydrophobicContact CG2-CD1 3.66Å; I246-Y308 HydrophobicContact CG2-CE1 4.49Å; I246-Y308 HydrophobicContact CG2-CG 4.2Å |
| 247 | K | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -38.9 | 178.1 | -68.7 | -163.2 | 179.8 | -166.8 | 0 | 113.1 | L7 P8 E188 Y215 R243 C244 F250 Y251 Y308 | L7-K247 HydrophobicContact CD1-CG 4.28Å; P8-K247 WeakPolarHBondContact O-CE 3.49Å; P8-K247 PolarHBondContact O-NZ 3.3Å; E188-K247 WeakPolarHBondContact OE1-CE 3.31Å; E188-K247 IonicContact OE1-NZ 3.14Å; E188-K247 PolarHBondContact OE1-NZ 3.32Å; E188-K247 IonicContact OE2-NZ 2.75Å; E188-K247 PolarHBondContact OE2-NZ 2.99Å; Y215-K247 HydrophobicContact CD2-CB 3.51Å; Y215-K247 HydrophobicContact CD2-CD 4.05Å; Y215-K247 HydrophobicContact CD2-CG 4.42Å; Y215-K247 HydrophobicContact CE1-CD 4.05Å; Y215-K247 HydrophobicContact CE2-CB 3.73Å; Y215-K247 HydrophobicContact CE2-CD 3.36Å; Y215-K247 HydrophobicContact CE2-CG 4.16Å; Y215-K247 HydrophobicContact CG-CB 4.04Å; Y215-K247 WeakPolarHBondContact OH-CD 3.43Å; Y215-K247 PolarHBondContact OH-NZ 2.93Å; R243-K247 WeakPolarHBondContact O-CG 3.34Å; R243-K247 PolarHBondContact O-N 2.97Å; C244-K247 CarbonylContact O-C 3.46Å; C244-K247 WeakPolarHBondContact O-CA 3.42Å; C244-K247 PolarHBondContact O-N 3.2Å; K247-F250 PolarHBondContact O-N 3.44Å; K247-Y251 HydrophobicContact CB-CD2 4.22Å; K247-Y251 HydrophobicContact CB-CE2 4.39Å; K247-Y251 HydrophobicContact CD-CE2 4.5Å; K247-Y251 VanDerWaalsContact O-CD2 3.28Å; K247-Y251 WeakPolarHBondContact O-CD2 3.34Å; K247-Y251 PolarHBondContact O-N 3.04Å; K247-Y308 HydrophobicContact CG-CE1 4.18Å |
| 248 | T | 96.5 | Very high | 93.3 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 12% | 0.123 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 173.7 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | M212 Y215 E216 C244 F250 S252 | M212-T248 HydrophobicContact CG-CG2 4.06Å; M212-T248 WeakPolarHBondContact CG-O 3.45Å; Y215-T248 WeakPolarHBondContact CB-OG1 3.48Å; E216-T248 HydrophobicContact CB-CG2 3.88Å; E216-T248 HydrophobicContact CG-CG2 4.4Å; E216-T248 PolarHBondContact N-OG1 3.28Å; C244-T248 PolarHBondContact O-N 3.19Å; C244-T248 PolarHBondContact O-OG1 2.83Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.25Å; T248-S252 WeakPolarHBondContact O-CB 3.48Å; T248-S252 PolarHBondContact O-N 3.34Å |
| 249 | S | 96.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 11% | 0.112 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | Q245 S253 | Q245-S249 PolarHBondContact O-N 3.35Å; Q245-S249 PolarHBondContact O-OG 3.25Å; S249-S253 PolarHBondContact O-N 3.43Å |
| 250 | F | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -55.5 | 179.5 | -170.4 | -91.5 | 0 | 0 | 0 | 112.1 | L4 L7 I246 K247 T248 S252 S253 L254 M283 A315 | L4-F250 HydrophobicContact CD1-CZ 3.98Å; L4-F250 HydrophobicContact CD2-CE1 4.34Å; L4-F250 HydrophobicContact CD2-CZ 3.98Å; L7-F250 HydrophobicContact CD1-CB 4.43Å; L7-F250 HydrophobicContact CD1-CD1 3.64Å; L7-F250 HydrophobicContact CD1-CD2 4.5Å; L7-F250 HydrophobicContact CD1-CE1 3.99Å; L7-F250 HydrophobicContact CD1-CG 3.93Å; I246-F250 WeakPolarHBondContact O-CB 3.25Å; I246-F250 PolarHBondContact O-N 3.35Å; K247-F250 PolarHBondContact O-N 3.44Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.25Å; F250-S252 VanDerWaalsContact C-N 3.32Å; F250-S252 PolarHBondContact O-N 3.07Å; F250-S253 PolarHBondContact O-N 2.86Å; F250-S253 VanDerWaalsContact O-N 3.14Å; F250-S253 PolarHBondContact O-OG 3.44Å; F250-L254 HydrophobicContact CE1-CD2 4.24Å; F250-L254 PolarHBondContact O-N 2.87Å; F250-M283 HydrophobicContact CD2-CE 3.98Å; F250-M283 HydrophobicContact CD2-SD 4.29Å; F250-M283 HydrophobicContact CE2-CE 3.9Å; F250-A315 HydrophobicContact CE2-CB 3.83Å; F250-A315 HydrophobicContact CZ-CB 4.07Å |
| 251 | Y | 97.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.4 | -28.7 | -179.4 | -72.7 | -70.7 | 0 | 0 | 0 | 112.5 | L7 E188 V191 I211 Y215 K247 L254 T255 | L7-Y251 HydrophobicContact CD1-CE2 3.93Å; E188-Y251 VanDerWaalsContact CG-OH 3.32Å; E188-Y251 WeakPolarHBondContact CG-OH 3.41Å; E188-Y251 PolarHBondContact OE1-OH 3.43Å; V191-Y251 HydrophobicContact CG1-CE1 4.02Å; I211-Y251 HydrophobicContact CB-CD1 4.42Å; I211-Y251 HydrophobicContact CB-CD2 4.35Å; I211-Y251 HydrophobicContact CB-CG 4.12Å; I211-Y251 HydrophobicContact CD1-CD1 4.03Å; I211-Y251 HydrophobicContact CD1-CE1 3.98Å; I211-Y251 HydrophobicContact CG2-CD1 4.29Å; I211-Y251 HydrophobicContact CG2-CD2 3.48Å; I211-Y251 VanDerWaalsContact CG2-CD2 3.48Å; I211-Y251 HydrophobicContact CG2-CE2 3.87Å; I211-Y251 HydrophobicContact CG2-CG 3.75Å; Y215-Y251 HydrophobicContact CD2-CD2 4.41Å; Y215-Y251 HydrophobicContact CE2-CD2 4.35Å; Y215-Y251 HydrophobicContact CE2-CE2 4.33Å; K247-Y251 HydrophobicContact CB-CD2 4.22Å; K247-Y251 HydrophobicContact CB-CE2 4.39Å; K247-Y251 HydrophobicContact CD-CE2 4.5Å; K247-Y251 VanDerWaalsContact O-CD2 3.28Å; K247-Y251 WeakPolarHBondContact O-CD2 3.34Å; K247-Y251 PolarHBondContact O-N 3.04Å; Y251-L254 HydrophobicContact CD1-CD2 3.93Å; Y251-L254 HydrophobicContact CE1-CD2 3.94Å; Y251-L254 PolarHBondContact O-N 2.86Å; Y251-T255 PolarHBondContact O-N 2.78Å; Y251-T255 PolarHBondContact O-OG1 3.28Å; Y251-T255 VanDerWaalsContact O-OG1 3.07Å |
| 252 | S | 97 | Very high | 95.7 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 10% | 0.098 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 167.8 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | T248 F250 L254 A256 R282 | T248-S252 WeakPolarHBondContact O-CB 3.48Å; T248-S252 PolarHBondContact O-N 3.34Å; F250-S252 VanDerWaalsContact C-N 3.32Å; F250-S252 PolarHBondContact O-N 3.07Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 2.86Å; S252-A256 PolarHBondContact O-N 3.36Å; S252-A256 VanDerWaalsContact O-N 3.09Å; S252-R282 WeakPolarHBondContact OG-CD 3.42Å; S252-R282 WeakPolarHBondContact OG-CG 3.23Å; S252-R282 PolarHBondContact OG-NE 3.1Å |
| 253 | S | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 176.6 | 74.8 | 0 | 0 | 0 | 0 | 112.7 | S249 F250 Y257 A279 M283 | S249-S253 PolarHBondContact O-N 3.43Å; F250-S253 PolarHBondContact O-N 2.86Å; F250-S253 VanDerWaalsContact O-N 3.14Å; F250-S253 PolarHBondContact O-OG 3.44Å; S253-Y257 WeakPolarHBondContact O-CB 3.42Å; S253-Y257 PolarHBondContact O-N 2.89Å; S253-A279 VanDerWaalsContact CB-O 3.31Å; S253-A279 WeakPolarHBondContact CB-O 3.45Å; S253-A279 WeakPolarHBondContact O-CB 3.38Å; S253-M283 WeakPolarHBondContact OG-CE 3.14Å |
| 254 | L | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74.9 | -39.8 | -179.2 | -163.2 | 64.7 | 0 | 0 | 0 | 112.1 | V191 I195 F250 Y251 S252 Y257 Y258 | V191-L254 HydrophobicContact CG1-CD2 4.01Å; I195-L254 HydrophobicContact CD1-CD2 4.1Å; F250-L254 HydrophobicContact CE1-CD2 4.24Å; F250-L254 PolarHBondContact O-N 2.87Å; Y251-L254 HydrophobicContact CD1-CD2 3.93Å; Y251-L254 HydrophobicContact CE1-CD2 3.94Å; Y251-L254 PolarHBondContact O-N 2.86Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 2.86Å; L254-Y257 PolarHBondContact O-N 3.13Å; L254-Y258 HydrophobicContact CD1-CD2 4.08Å; L254-Y258 HydrophobicContact CD1-CE2 3.76Å; L254-Y258 HydrophobicContact CG-CD2 4.06Å; L254-Y258 HydrophobicContact CG-CE2 4.07Å; L254-Y258 WeakPolarHBondContact O-CD2 3.18Å; L254-Y258 PolarHBondContact O-N 3.35Å |
| 255 | T | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.2 | -52.6 | 168.5 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | A205 S208 Q209 Y251 Y257 Y258 A259 I347 | A205-T255 HydrophobicContact CB-CG2 4.44Å; A205-T255 PolarHBondContact O-OG1 3.04Å; S208-T255 WeakPolarHBondContact CB-OG1 3.39Å; Q209-T255 WeakPolarHBondContact CA-OG1 3.21Å; Q209-T255 HydrophobicContact CB-CG2 3.91Å; Q209-T255 HydrophobicContact CG-CG2 4.48Å; Q209-T255 PolarHBondContact N-OG1 3.06Å; Q209-T255 VanDerWaalsContact N-OG1 3.12Å; Y251-T255 PolarHBondContact O-N 2.78Å; Y251-T255 PolarHBondContact O-OG1 3.28Å; Y251-T255 VanDerWaalsContact O-OG1 3.07Å; T255-Y257 VanDerWaalsContact C-N 3.32Å; T255-Y257 PolarHBondContact O-N 2.8Å; T255-Y258 PolarHBondContact O-N 3.05Å; T255-A259 VanDerWaalsContact O-CB 3.31Å; T255-A259 WeakPolarHBondContact O-CB 3.23Å; T255-A259 PolarHBondContact O-N 3.3Å; T255-I347 HydrophobicContact CG2-CB 4.28Å; T255-I347 HydrophobicContact CG2-CD1 3.92Å; T255-I347 HydrophobicContact CG2-CG2 4.37Å |
| 256 | A | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -36 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S252 A259 G260 W275 L278 A279 | S252-A256 PolarHBondContact O-N 3.36Å; S252-A256 VanDerWaalsContact O-N 3.09Å; A256-A259 PolarHBondContact O-N 3.06Å; A256-G260 PolarHBondContact O-N 3.06Å; A256-W275 HydrophobicContact CB-CE3 4.01Å; A256-W275 HydrophobicContact CB-CZ3 4.43Å; A256-L278 HydrophobicContact CB-CB 4.36Å; A256-L278 HydrophobicContact CB-CD2 4.25Å; A256-L278 HydrophobicContact CB-CG 4Å; A256-A279 HydrophobicContact CB-CB 3.8Å |
| 257 | Y | 98.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 174.4 | 175 | -95.5 | 0 | 0 | 0 | 111.6 | M1 S253 L254 T255 A259 G260 I261 F276 I319 K322 | M1-Y257 HydrophobicContact CE-CD1 4.18Å; M1-Y257 HydrophobicContact CE-CD2 4.42Å; M1-Y257 HydrophobicContact CE-CE1 4.08Å; M1-Y257 HydrophobicContact CE-CE2 4.28Å; M1-Y257 HydrophobicContact CE-CG 4.36Å; M1-Y257 HydrophobicContact CG-CE1 3.88Å; S253-Y257 WeakPolarHBondContact O-CB 3.42Å; S253-Y257 PolarHBondContact O-N 2.89Å; L254-Y257 PolarHBondContact O-N 3.13Å; T255-Y257 VanDerWaalsContact C-N 3.32Å; T255-Y257 PolarHBondContact O-N 2.8Å; Y257-A259 VanDerWaalsContact C-N 3.31Å; Y257-A259 PolarHBondContact O-N 3.1Å; Y257-G260 WeakPolarHBondContact O-CA 3.48Å; Y257-G260 PolarHBondContact O-N 2.96Å; Y257-G260 VanDerWaalsContact O-N 3.12Å; Y257-I261 HydrophobicContact CD1-CG1 4.22Å; Y257-I261 HydrophobicContact CE1-CD1 4.25Å; Y257-I261 HydrophobicContact CE1-CG1 3.75Å; Y257-I261 HydrophobicContact CE2-CD1 4.37Å; Y257-I261 HydrophobicContact CE2-CG1 4.46Å; Y257-I261 WeakPolarHBondContact O-CG1 3.46Å; Y257-I261 PolarHBondContact O-N 3.46Å; Y257-F276 HydrophobicContact CD2-CD1 4.21Å; Y257-F276 HydrophobicContact CD2-CE1 4.2Å; Y257-F276 HydrophobicContact CE2-CE1 4.38Å; Y257-I319 HydrophobicContact CD2-CB 4.45Å; Y257-I319 HydrophobicContact CD2-CG1 3.65Å; Y257-I319 HydrophobicContact CE2-CG1 4.32Å; Y257-I319 HydrophobicContact CG-CG1 4.14Å; Y257-K322 HydrophobicContact CE2-CB 4.14Å; Y257-K322 HydrophobicContact CE2-CG 4.01Å |
| 258 | Y | 97.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.7 | -24.2 | 179.2 | -80 | -69.4 | 0 | 0 | 0 | 113.4 | M1 I195 A201 T204 L254 T255 N262 | M1-Y258 WeakPolarHBondContact CB-OH 3.28Å; I195-Y258 HydrophobicContact CG1-CE2 4.13Å; A201-Y258 HydrophobicContact CB-CD1 3.98Å; A201-Y258 WeakPolarHBondContact CB-O 3.35Å; T204-Y258 HydrophobicContact CG2-CD1 4.37Å; T204-Y258 HydrophobicContact CG2-CD2 3.56Å; T204-Y258 HydrophobicContact CG2-CE1 4.31Å; T204-Y258 HydrophobicContact CG2-CE2 3.47Å; T204-Y258 VanDerWaalsContact CG2-CE2 3.47Å; T204-Y258 HydrophobicContact CG2-CG 4.03Å; L254-Y258 HydrophobicContact CD1-CD2 4.08Å; L254-Y258 HydrophobicContact CD1-CE2 3.76Å; L254-Y258 HydrophobicContact CG-CD2 4.06Å; L254-Y258 HydrophobicContact CG-CE2 4.07Å; L254-Y258 WeakPolarHBondContact O-CD2 3.18Å; L254-Y258 PolarHBondContact O-N 3.35Å; T255-Y258 PolarHBondContact O-N 3.05Å; Y258-N262 WeakPolarHBondContact O-CB 3.22Å; Y258-N262 PolarHBondContact O-N 2.85Å |
| 259 | A | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T255 A256 Y257 I261 N262 E263 W275 I347 | T255-A259 VanDerWaalsContact O-CB 3.31Å; T255-A259 WeakPolarHBondContact O-CB 3.23Å; T255-A259 PolarHBondContact O-N 3.3Å; A256-A259 PolarHBondContact O-N 3.06Å; Y257-A259 VanDerWaalsContact C-N 3.31Å; Y257-A259 PolarHBondContact O-N 3.1Å; A259-I261 PolarHBondContact O-N 3.08Å; A259-N262 WeakPolarHBondContact O-CB 3.46Å; A259-N262 PolarHBondContact O-N 3.18Å; A259-N262 VanDerWaalsContact O-N 3.16Å; A259-E263 WeakPolarHBondContact O-CG 3.23Å; A259-E263 PolarHBondContact O-N 3.17Å; A259-W275 HydrophobicContact CB-CB 4.47Å; A259-W275 HydrophobicContact CB-CD2 3.41Å; A259-W275 VanDerWaalsContact CB-CD2 3.41Å; A259-W275 HydrophobicContact CB-CE3 3.64Å; A259-W275 HydrophobicContact CB-CG 3.81Å; A259-W275 HydrophobicContact CB-CH2 4.23Å; A259-W275 HydrophobicContact CB-CZ2 4.02Å; A259-W275 HydrophobicContact CB-CZ3 4.05Å; A259-I347 HydrophobicContact CB-CD1 3.54Å |
| 260 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A256 Y257 N262 E263 E264 A272 W275 F276 | A256-G260 PolarHBondContact O-N 3.06Å; Y257-G260 WeakPolarHBondContact O-CA 3.48Å; Y257-G260 PolarHBondContact O-N 2.96Å; Y257-G260 VanDerWaalsContact O-N 3.12Å; G260-N262 PolarHBondContact O-N 3.39Å; G260-E263 PolarHBondContact O-N 3.26Å; G260-E264 WeakPolarHBondContact O-CB 3.44Å; G260-E264 PolarHBondContact O-N 3.49Å; G260-A272 WeakPolarHBondContact O-CB 3.43Å; G260-W275 VanDerWaalsContact CA-CB 3.46Å; G260-F276 VanDerWaalsContact C-CZ 3.43Å |
| 261 | I | 97.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 173 | -60.3 | -67.2 | 0 | 0 | 0 | 110.8 | A201 Y257 A259 E264 E265 F276 | A201-I261 HydrophobicContact CB-CB 3.9Å; A201-I261 HydrophobicContact CB-CG2 3.69Å; Y257-I261 HydrophobicContact CD1-CG1 4.22Å; Y257-I261 HydrophobicContact CE1-CD1 4.25Å; Y257-I261 HydrophobicContact CE1-CG1 3.75Å; Y257-I261 HydrophobicContact CE2-CD1 4.37Å; Y257-I261 HydrophobicContact CE2-CG1 4.46Å; Y257-I261 WeakPolarHBondContact O-CG1 3.46Å; Y257-I261 PolarHBondContact O-N 3.46Å; A259-I261 PolarHBondContact O-N 3.08Å; I261-E264 PolarHBondContact O-N 3.16Å; I261-E265 HydrophobicContact CG2-CG 4.25Å; I261-E265 WeakPolarHBondContact O-CB 3.5Å; I261-E265 VanDerWaalsContact O-CG 3.29Å; I261-E265 WeakPolarHBondContact O-CG 3.36Å; I261-E265 PolarHBondContact O-N 2.87Å; I261-F276 HydrophobicContact CD1-CE1 3.99Å; I261-F276 HydrophobicContact CD1-CZ 3.89Å; I261-F276 HydrophobicContact CG1-CE1 4.11Å; I261-F276 HydrophobicContact CG1-CZ 4.36Å |
| 262 | N | 96.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.128 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 175.8 | 172.7 | 99.6 | 0 | 0 | 0 | 112.3 | A201 N202 Y258 A259 G260 E264 E265 N266 | A201-N262 HydrophobicContact CB-CB 4.01Å; N202-N262 VanDerWaalsContact CB-OD1 3.31Å; N202-N262 WeakPolarHBondContact CB-OD1 3.39Å; N202-N262 PolarHBondContact ND2-OD1 3.01Å; N202-N262 VanDerWaalsContact ND2-OD1 3.09Å; Y258-N262 WeakPolarHBondContact O-CB 3.22Å; Y258-N262 PolarHBondContact O-N 2.85Å; A259-N262 WeakPolarHBondContact O-CB 3.46Å; A259-N262 PolarHBondContact O-N 3.18Å; A259-N262 VanDerWaalsContact O-N 3.16Å; G260-N262 PolarHBondContact O-N 3.39Å; N262-E264 VanDerWaalsContact C-N 3.3Å; N262-E264 PolarHBondContact O-N 2.99Å; N262-E265 PolarHBondContact O-N 2.9Å; N262-N266 PolarHBondContact ND2-ND2 3.45Å; N262-N266 WeakPolarHBondContact O-CB 3.44Å; N262-N266 PolarHBondContact O-N 2.79Å; N262-N266 PolarHBondContact O-ND2 3.48Å |
| 263 | E | 97 | Very high | 96.9 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -33.5 | 176.8 | -57.5 | -60.1 | -178.9 | 0 | 0 | 111.8 | A259 G260 N266 K267 V268 K271 A272 W275 | A259-E263 WeakPolarHBondContact O-CG 3.23Å; A259-E263 PolarHBondContact O-N 3.17Å; G260-E263 PolarHBondContact O-N 3.26Å; E263-N266 CarbonylContact O-C 3.29Å; E263-N266 PolarHBondContact O-N 3.3Å; E263-K267 PolarHBondContact O-N 2.62Å; E263-V268 HydrophobicContact CB-CB 4.49Å; E263-V268 PolarHBondContact O-N 3.05Å; E263-K271 HydrophobicContact CB-CB 4.44Å; E263-K271 HydrophobicContact CG-CB 4.26Å; E263-K271 HydrophobicContact CG-CD 4.02Å; E263-K271 HydrophobicContact CG-CG 4.01Å; E263-K271 WeakPolarHBondContact OE1-CD 3.32Å; E263-K271 WeakPolarHBondContact OE1-CE 3.41Å; E263-K271 IonicContact OE1-NZ 2.78Å; E263-K271 PolarHBondContact OE1-NZ 2.85Å; E263-K271 IonicContact OE2-NZ 2.68Å; E263-A272 HydrophobicContact CB-CB 3.97Å; E263-W275 VanDerWaalsContact CG-CD1 3.49Å |
| 264 | E | 96.5 | Very high | 97 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 175.3 | -166.9 | -179.6 | -114.9 | 0 | 0 | 112.3 | G260 I261 N262 N266 K267 Y269 A272 K322 S326 | G260-E264 WeakPolarHBondContact O-CB 3.44Å; G260-E264 PolarHBondContact O-N 3.49Å; I261-E264 PolarHBondContact O-N 3.16Å; N262-E264 VanDerWaalsContact C-N 3.3Å; N262-E264 PolarHBondContact O-N 2.99Å; E264-N266 PolarHBondContact O-N 3.09Å; E264-K267 WeakPolarHBondContact O-CA 3.31Å; E264-K267 PolarHBondContact O-N 3.47Å; E264-Y269 HydrophobicContact CG-CD1 4.08Å; E264-Y269 HydrophobicContact CG-CE1 4.07Å; E264-A272 HydrophobicContact CB-CB 3.96Å; E264-K322 WeakPolarHBondContact OE1-CE 3.09Å; E264-K322 IonicContact OE1-NZ 2.68Å; E264-K322 PolarHBondContact OE1-NZ 3.1Å; E264-K322 WeakPolarHBondContact OE2-CE 3.35Å; E264-K322 IonicContact OE2-NZ 3.4Å; E264-K322 PolarHBondContact OE2-NZ 3.39Å; E264-S326 PolarHBondContact OE1-OG 2.72Å |
| 265 | E | 95.5 | Very high | 97 | Very high | 111 Ų | 111 | 33 Ų | 33 | 52% | 0.519 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.7 | -37.3 | 169.5 | -75 | 170.2 | 172.9 | 0 | 0 | 111.3 | I261 N262 K267 | I261-E265 HydrophobicContact CG2-CG 4.25Å; I261-E265 WeakPolarHBondContact O-CB 3.5Å; I261-E265 VanDerWaalsContact O-CG 3.29Å; I261-E265 WeakPolarHBondContact O-CG 3.36Å; I261-E265 PolarHBondContact O-N 2.87Å; N262-E265 PolarHBondContact O-N 2.9Å; E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.14Å |
| 266 | N | 95.7 | Very high | 97 | Very high | 102 Ų | 102 | 32.8 Ų | 32.8 | 55% | 0.545 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.9 | 173.5 | -71 | -68.8 | 0 | 0 | 0 | 114 | N262 E263 E264 | N262-N266 PolarHBondContact ND2-ND2 3.45Å; N262-N266 WeakPolarHBondContact O-CB 3.44Å; N262-N266 PolarHBondContact O-N 2.79Å; N262-N266 PolarHBondContact O-ND2 3.48Å; E263-N266 CarbonylContact O-C 3.29Å; E263-N266 PolarHBondContact O-N 3.3Å; E264-N266 PolarHBondContact O-N 3.09Å |
| 267 | K | 95.7 | Very high | 97.1 | Very high | 148 Ų | 148 | 36.3 Ų | 36.3 | 64% | 0.643 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 38.6 | 177.8 | -49.7 | 175.3 | -174.5 | 172.7 | 0 | 114.7 | E263 E264 E265 Y269 | E263-K267 PolarHBondContact O-N 2.62Å; E264-K267 WeakPolarHBondContact O-CA 3.31Å; E264-K267 PolarHBondContact O-N 3.47Å; E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.14Å; K267-Y269 HydrophobicContact CB-CE2 4.12Å |
| 268 | V | 96 | Very high | 97 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 34% | 0.339 | 17% | 0.174 | S | C | . | . | trans | -111.1 | 73.3 | 172.7 | -169 | 0 | 0 | 0 | 0 | 108.5 | E263 G270 K271 A272 E336 | E263-V268 HydrophobicContact CB-CB 4.49Å; E263-V268 PolarHBondContact O-N 3.05Å; V268-G270 VanDerWaalsContact C-N 3.33Å; V268-G270 PolarHBondContact O-N 2.78Å; V268-K271 HydrophobicContact CB-CB 4.37Å; V268-K271 HydrophobicContact CG1-CB 3.63Å; V268-K271 PolarHBondContact O-N 2.99Å; V268-A272 PolarHBondContact O-N 2.95Å; V268-E336 VanDerWaalsContact C-OE2 3.31Å | ||
| 269 | Y | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 17% | 0.173 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -33.6 | -167.1 | -56 | -70.8 | 0 | 0 | 0 | 113.1 | E264 K267 A272 I273 Y334 E336 | E264-Y269 HydrophobicContact CG-CD1 4.08Å; E264-Y269 HydrophobicContact CG-CE1 4.07Å; K267-Y269 HydrophobicContact CB-CE2 4.12Å; Y269-A272 WeakPolarHBondContact O-CB 3.4Å; Y269-A272 PolarHBondContact O-N 3.29Å; Y269-I273 WeakPolarHBondContact O-CD1 3.49Å; Y269-I273 VanDerWaalsContact O-CG1 3.26Å; Y269-I273 WeakPolarHBondContact O-CG1 3.34Å; Y269-I273 PolarHBondContact O-N 2.8Å; Y269-Y334 AromaticContact CD1-CD2 3.94Å; Y269-Y334 HydrophobicContact CD1-CD2 3.94Å; Y269-Y334 AromaticContact CD1-CE2 3.74Å; Y269-Y334 HydrophobicContact CD1-CE2 3.74Å; Y269-Y334 AromaticContact CD2-CD1 3.67Å; Y269-Y334 HydrophobicContact CD2-CD1 3.67Å; Y269-Y334 AromaticContact CD2-CD2 3.56Å; Y269-Y334 HydrophobicContact CD2-CD2 3.56Å; Y269-Y334 HydrophobicContact CD2-CE1 4.05Å; Y269-Y334 AromaticContact CD2-CE2 3.95Å; Y269-Y334 HydrophobicContact CD2-CE2 3.95Å; Y269-Y334 AromaticContact CD2-CG 3.4Å; Y269-Y334 HydrophobicContact CD2-CG 3.4Å; Y269-Y334 HydrophobicContact CE1-CD2 4.4Å; Y269-Y334 HydrophobicContact CE1-CE1 4.46Å; Y269-Y334 AromaticContact CE1-CE2 3.86Å; Y269-Y334 HydrophobicContact CE1-CE2 3.86Å; Y269-Y334 AromaticContact CE1-CZ 3.89Å; Y269-Y334 AromaticContact CE2-CD1 3.55Å; Y269-Y334 HydrophobicContact CE2-CD1 3.55Å; Y269-Y334 HydrophobicContact CE2-CD2 4.05Å; Y269-Y334 AromaticContact CE2-CE1 3.56Å; Y269-Y334 HydrophobicContact CE2-CE1 3.56Å; Y269-Y334 HydrophobicContact CE2-CE2 4.06Å; Y269-Y334 AromaticContact CE2-CG 3.81Å; Y269-Y334 HydrophobicContact CE2-CG 3.81Å; Y269-Y334 AromaticContact CE2-CZ 3.82Å; Y269-Y334 HydrophobicContact CG-CD1 4.44Å; Y269-Y334 AromaticContact CG-CD2 3.49Å; Y269-Y334 HydrophobicContact CG-CD2 3.49Å; Y269-Y334 VanDerWaalsContact CG-CD2 3.49Å; Y269-Y334 AromaticContact CG-CE2 3.79Å; Y269-Y334 HydrophobicContact CG-CE2 3.79Å; Y269-Y334 AromaticContact CG-CG 3.85Å; Y269-Y334 HydrophobicContact CG-CG 3.85Å; Y269-Y334 AromaticContact CZ-CE1 3.79Å; Y269-Y334 AromaticContact CZ-CZ 3.65Å; Y269-E336 WeakPolarHBondContact CD2-OE1 3.49Å; Y269-E336 PolarHBondContact N-OE1 3.48Å; Y269-E336 PolarHBondContact N-OE2 3.36Å |
| 270 | G | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V268 I273 A274 E336 P339 | V268-G270 VanDerWaalsContact C-N 3.33Å; V268-G270 PolarHBondContact O-N 2.78Å; G270-I273 PolarHBondContact O-N 3.35Å; G270-A274 PolarHBondContact O-N 3.47Å; G270-A274 VanDerWaalsContact O-N 3.13Å; G270-E336 PolarHBondContact N-OE2 2.66Å; G270-P339 WeakPolarHBondContact O-CD 3.32Å |
| 271 | K | 96.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 19% | 0.191 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.9 | -162 | -179.6 | 177.9 | -155.6 | 0 | 111 | E263 V268 I273 A274 W275 P339 L344 E345 | E263-K271 HydrophobicContact CB-CB 4.44Å; E263-K271 HydrophobicContact CG-CB 4.26Å; E263-K271 HydrophobicContact CG-CD 4.02Å; E263-K271 HydrophobicContact CG-CG 4.01Å; E263-K271 WeakPolarHBondContact OE1-CD 3.32Å; E263-K271 WeakPolarHBondContact OE1-CE 3.41Å; E263-K271 IonicContact OE1-NZ 2.78Å; E263-K271 PolarHBondContact OE1-NZ 2.85Å; E263-K271 IonicContact OE2-NZ 2.68Å; V268-K271 HydrophobicContact CB-CB 4.37Å; V268-K271 HydrophobicContact CG1-CB 3.63Å; V268-K271 PolarHBondContact O-N 2.99Å; K271-I273 PolarHBondContact O-N 3.21Å; K271-A274 PolarHBondContact O-N 3.04Å; K271-W275 VanDerWaalsContact O-CD1 3.28Å; K271-W275 PolarHBondContact O-N 3.19Å; K271-P339 HydrophobicContact CB-CG 4.33Å; K271-P339 HydrophobicContact CG-CG 4.36Å; K271-L344 HydrophobicContact CG-CD2 3.95Å; K271-E345 IonicContact NZ-OE2 3.29Å; K271-E345 PolarHBondContact NZ-OE2 3Å |
| 272 | A | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G260 E263 E264 V268 Y269 A274 W275 F276 | G260-A272 WeakPolarHBondContact O-CB 3.43Å; E263-A272 HydrophobicContact CB-CB 3.97Å; E264-A272 HydrophobicContact CB-CB 3.96Å; V268-A272 PolarHBondContact O-N 2.95Å; Y269-A272 WeakPolarHBondContact O-CB 3.4Å; Y269-A272 PolarHBondContact O-N 3.29Å; A272-A274 PolarHBondContact O-N 3.2Å; A272-W275 WeakPolarHBondContact O-CB 3.48Å; A272-W275 PolarHBondContact O-N 3.02Å; A272-F276 HydrophobicContact CB-CE2 4.06Å; A272-F276 WeakPolarHBondContact O-CD2 3.46Å; A272-F276 VanDerWaalsContact O-CG 3.3Å; A272-F276 WeakPolarHBondContact O-CG 3.47Å; A272-F276 PolarHBondContact O-N 2.65Å |
| 273 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 177.5 | -66.6 | 156.3 | 0 | 0 | 0 | 111.9 | Y269 G270 K271 W275 F276 K277 L323 S326 N330 I338 | Y269-I273 WeakPolarHBondContact O-CD1 3.49Å; Y269-I273 VanDerWaalsContact O-CG1 3.26Å; Y269-I273 WeakPolarHBondContact O-CG1 3.34Å; Y269-I273 PolarHBondContact O-N 2.8Å; G270-I273 PolarHBondContact O-N 3.35Å; K271-I273 PolarHBondContact O-N 3.21Å; I273-W275 VanDerWaalsContact C-N 3.33Å; I273-W275 PolarHBondContact O-N 2.91Å; I273-F276 PolarHBondContact O-N 3.02Å; I273-K277 HydrophobicContact CG2-CD 4.16Å; I273-K277 HydrophobicContact CG2-CG 4.4Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 VanDerWaalsContact O-CG 3.32Å; I273-K277 WeakPolarHBondContact O-CG 3.13Å; I273-K277 PolarHBondContact O-N 3.33Å; I273-L323 HydrophobicContact CG2-CD1 4.1Å; I273-S326 WeakPolarHBondContact CD1-O 3.49Å; I273-N330 HydrophobicContact CD1-CB 3.33Å; I273-I338 HydrophobicContact CB-CD1 4.31Å; I273-I338 HydrophobicContact CB-CG1 4.23Å; I273-I338 HydrophobicContact CB-CG2 4.39Å; I273-I338 HydrophobicContact CD1-CD1 4.27Å; I273-I338 HydrophobicContact CD1-CG1 4.29Å; I273-I338 HydrophobicContact CG2-CD1 3.69Å; I273-I338 HydrophobicContact CG2-CG1 4.1Å; I273-I338 HydrophobicContact CG2-CG2 4.13Å |
| 274 | A | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G270 K271 A272 K277 L278 I338 P339 L344 | G270-A274 PolarHBondContact O-N 3.47Å; G270-A274 VanDerWaalsContact O-N 3.13Å; K271-A274 PolarHBondContact O-N 3.04Å; A272-A274 PolarHBondContact O-N 3.2Å; A274-K277 PolarHBondContact O-N 3.12Å; A274-L278 PolarHBondContact O-N 3.37Å; A274-I338 HydrophobicContact CB-CG2 3.98Å; A274-P339 HydrophobicContact CB-CG 3.81Å; A274-P339 WeakPolarHBondContact CB-O 3.48Å; A274-L344 HydrophobicContact CB-CD1 4.15Å; A274-L344 HydrophobicContact CB-CD2 4Å; A274-L344 HydrophobicContact CB-CG 4.47Å |
| 275 | W | 98.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 171.4 | -80.3 | 122.3 | 0 | 0 | 0 | 113.1 | A256 A259 G260 E263 K271 A272 I273 K277 L278 A279 L344 E345 I347 | A256-W275 HydrophobicContact CB-CE3 4.01Å; A256-W275 HydrophobicContact CB-CZ3 4.43Å; A259-W275 HydrophobicContact CB-CB 4.47Å; A259-W275 HydrophobicContact CB-CD2 3.41Å; A259-W275 VanDerWaalsContact CB-CD2 3.41Å; A259-W275 HydrophobicContact CB-CE3 3.64Å; A259-W275 HydrophobicContact CB-CG 3.81Å; A259-W275 HydrophobicContact CB-CH2 4.23Å; A259-W275 HydrophobicContact CB-CZ2 4.02Å; A259-W275 HydrophobicContact CB-CZ3 4.05Å; G260-W275 VanDerWaalsContact CA-CB 3.46Å; E263-W275 VanDerWaalsContact CG-CD1 3.49Å; K271-W275 VanDerWaalsContact O-CD1 3.28Å; K271-W275 PolarHBondContact O-N 3.19Å; A272-W275 WeakPolarHBondContact O-CB 3.48Å; A272-W275 PolarHBondContact O-N 3.02Å; I273-W275 VanDerWaalsContact C-N 3.33Å; I273-W275 PolarHBondContact O-N 2.91Å; W275-K277 VanDerWaalsContact C-N 3.32Å; W275-K277 PolarHBondContact O-N 3.19Å; W275-L278 HydrophobicContact CE3-CD2 3.95Å; W275-L278 HydrophobicContact CZ3-CD2 3.8Å; W275-L278 PolarHBondContact O-N 2.91Å; W275-A279 WeakPolarHBondContact O-CB 3.35Å; W275-A279 PolarHBondContact O-N 2.81Å; W275-L344 HydrophobicContact CD2-CD1 3.88Å; W275-L344 HydrophobicContact CD2-CD2 4.41Å; W275-L344 HydrophobicContact CE3-CD1 3.94Å; W275-L344 HydrophobicContact CG-CD1 4.27Å; W275-L344 HydrophobicContact CH2-CB 4.1Å; W275-L344 HydrophobicContact CZ2-CB 3.99Å; W275-L344 HydrophobicContact CZ3-CD1 4.35Å; W275-E345 VanDerWaalsContact CH2-O 3.29Å; W275-E345 WeakPolarHBondContact CH2-O 3.48Å; W275-E345 WeakPolarHBondContact CZ2-O 3.43Å; W275-I347 HydrophobicContact CH2-CD1 4.28Å; W275-I347 HydrophobicContact CH2-CG1 4.28Å; W275-I347 HydrophobicContact CZ2-CD1 4.47Å |
| 276 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -33.2 | 176.5 | -62.5 | -42 | 0 | 0 | 0 | 112.6 | Y257 G260 I261 A272 I273 A279 N280 K322 L323 | Y257-F276 HydrophobicContact CD2-CD1 4.21Å; Y257-F276 HydrophobicContact CD2-CE1 4.2Å; Y257-F276 HydrophobicContact CE2-CE1 4.38Å; G260-F276 VanDerWaalsContact C-CZ 3.43Å; I261-F276 HydrophobicContact CD1-CE1 3.99Å; I261-F276 HydrophobicContact CD1-CZ 3.89Å; I261-F276 HydrophobicContact CG1-CE1 4.11Å; I261-F276 HydrophobicContact CG1-CZ 4.36Å; A272-F276 HydrophobicContact CB-CE2 4.06Å; A272-F276 WeakPolarHBondContact O-CD2 3.46Å; A272-F276 VanDerWaalsContact O-CG 3.3Å; A272-F276 WeakPolarHBondContact O-CG 3.47Å; A272-F276 PolarHBondContact O-N 2.65Å; I273-F276 PolarHBondContact O-N 3.02Å; F276-A279 PolarHBondContact O-N 3Å; F276-N280 WeakPolarHBondContact O-CB 3.26Å; F276-N280 PolarHBondContact O-N 3.05Å; F276-K322 HydrophobicContact CD1-CG 4.36Å; F276-K322 HydrophobicContact CE1-CG 4.02Å; F276-K322 HydrophobicContact CE2-CG 4.19Å; F276-K322 HydrophobicContact CZ-CD 4.44Å; F276-K322 HydrophobicContact CZ-CG 3.94Å; F276-L323 HydrophobicContact CB-CB 4.07Å; F276-L323 HydrophobicContact CB-CD1 3.89Å |
| 277 | K | 98 | Very high | 96.6 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 171.5 | -73.9 | 174.3 | 179.9 | 175.5 | 0 | 111.3 | I273 A274 W275 A279 N280 N281 L323 I341 | I273-K277 HydrophobicContact CG2-CD 4.16Å; I273-K277 HydrophobicContact CG2-CG 4.4Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 VanDerWaalsContact O-CG 3.32Å; I273-K277 WeakPolarHBondContact O-CG 3.13Å; I273-K277 PolarHBondContact O-N 3.33Å; A274-K277 PolarHBondContact O-N 3.12Å; W275-K277 VanDerWaalsContact C-N 3.32Å; W275-K277 PolarHBondContact O-N 3.19Å; K277-A279 PolarHBondContact O-N 3.45Å; K277-N280 PolarHBondContact O-N 2.94Å; K277-N281 VanDerWaalsContact O-CG 3.23Å; K277-N281 PolarHBondContact O-N 3Å; K277-N281 PolarHBondContact O-OD1 3.41Å; K277-L323 HydrophobicContact CG-CD1 3.57Å; K277-L323 HydrophobicContact CG-CD2 4.15Å; K277-I341 HydrophobicContact CB-CD1 4.25Å |
| 278 | L | 97.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 174.2 | 176.3 | 57.7 | 0 | 0 | 0 | 111.8 | A256 A274 W275 N280 N281 R282 I341 L344 | A256-L278 HydrophobicContact CB-CB 4.36Å; A256-L278 HydrophobicContact CB-CD2 4.25Å; A256-L278 HydrophobicContact CB-CG 4Å; A274-L278 PolarHBondContact O-N 3.37Å; W275-L278 HydrophobicContact CE3-CD2 3.95Å; W275-L278 HydrophobicContact CZ3-CD2 3.8Å; W275-L278 PolarHBondContact O-N 2.91Å; L278-N280 PolarHBondContact O-N 2.94Å; L278-N281 PolarHBondContact O-N 2.88Å; L278-R282 HydrophobicContact CD1-CG 4.06Å; L278-R282 WeakPolarHBondContact O-CG 3.31Å; L278-R282 PolarHBondContact O-N 3.23Å; L278-I341 HydrophobicContact CB-CD1 4.46Å; L278-I341 HydrophobicContact CB-CG2 4.18Å; L278-I341 HydrophobicContact CD1-CG2 3.93Å; L278-I341 HydrophobicContact CD2-CG2 4.23Å; L278-I341 HydrophobicContact CG-CG2 4.34Å; L278-L344 HydrophobicContact CD2-CD1 4.25Å |
| 279 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S253 A256 W275 F276 K277 R282 M283 I319 | S253-A279 VanDerWaalsContact CB-O 3.31Å; S253-A279 WeakPolarHBondContact CB-O 3.45Å; S253-A279 WeakPolarHBondContact O-CB 3.38Å; A256-A279 HydrophobicContact CB-CB 3.8Å; W275-A279 WeakPolarHBondContact O-CB 3.35Å; W275-A279 PolarHBondContact O-N 2.81Å; F276-A279 PolarHBondContact O-N 3Å; K277-A279 PolarHBondContact O-N 3.45Å; A279-R282 PolarHBondContact O-N 3.16Å; A279-M283 WeakPolarHBondContact O-CB 3.39Å; A279-M283 PolarHBondContact O-N 3.38Å; A279-I319 HydrophobicContact CB-CG2 3.83Å |
| 280 | N | 97.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.7 | -167.9 | 92.1 | 0 | 0 | 0 | 111.4 | F276 K277 L278 R282 M283 E284 I319 S320 L323 | F276-N280 WeakPolarHBondContact O-CB 3.26Å; F276-N280 PolarHBondContact O-N 3.05Å; K277-N280 PolarHBondContact O-N 2.94Å; L278-N280 PolarHBondContact O-N 2.94Å; N280-R282 PolarHBondContact O-N 3.05Å; N280-M283 PolarHBondContact O-N 2.97Å; N280-M283 VanDerWaalsContact O-N 3.15Å; N280-E284 PolarHBondContact O-N 3.44Å; N280-I319 HydrophobicContact CB-CG2 3.97Å; N280-S320 WeakPolarHBondContact OD1-CA 3.48Å; N280-S320 WeakPolarHBondContact OD1-CB 3.25Å; N280-L323 HydrophobicContact CB-CD2 3.83Å |
| 281 | N | 97 | Very high | 94.7 | Very high | 86 Ų | 86 | 41 Ų | 41 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 177 | -67.5 | -4.7 | 0 | 0 | 0 | 111.7 | K277 L278 M283 E284 D285 | K277-N281 VanDerWaalsContact O-CG 3.23Å; K277-N281 PolarHBondContact O-N 3Å; K277-N281 PolarHBondContact O-OD1 3.41Å; L278-N281 PolarHBondContact O-N 2.88Å; N281-M283 PolarHBondContact O-N 2.61Å; N281-E284 PolarHBondContact O-N 3.05Å; N281-E284 VanDerWaalsContact O-N 3.15Å; N281-D285 PolarHBondContact O-N 2.9Å; N281-D285 VanDerWaalsContact O-N 3.08Å |
| 282 | R | 96.6 | Very high | 93.4 | Very high | 105 Ų | 105 | 46 Ų | 46 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -26.7 | 177.4 | -69 | -63.5 | -173.5 | -145.9 | 5.2 | 113.5 | S252 L278 A279 N280 D285 C286 | S252-R282 WeakPolarHBondContact OG-CD 3.42Å; S252-R282 WeakPolarHBondContact OG-CG 3.23Å; S252-R282 PolarHBondContact OG-NE 3.1Å; L278-R282 HydrophobicContact CD1-CG 4.06Å; L278-R282 WeakPolarHBondContact O-CG 3.31Å; L278-R282 PolarHBondContact O-N 3.23Å; A279-R282 PolarHBondContact O-N 3.16Å; N280-R282 PolarHBondContact O-N 3.05Å; R282-D285 IonicContact NH1-OD2 2.67Å; R282-D285 PolarHBondContact NH1-OD2 3.25Å; R282-D285 VanDerWaalsContact NH1-OD2 3.08Å; R282-D285 WeakPolarHBondContact O-CB 3.27Å; R282-C286 PolarHBondContact O-N 3.46Å; R282-C286 VanDerWaalsContact O-N 3.13Å |
| 283 | M | 96.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -77 | -33.4 | 173.5 | -171.3 | 58.8 | 76.9 | 0 | 0 | 112.6 | F250 S253 A279 N280 N281 C286 K287 A312 A315 I319 | F250-M283 HydrophobicContact CD2-CE 3.98Å; F250-M283 HydrophobicContact CD2-SD 4.29Å; F250-M283 HydrophobicContact CE2-CE 3.9Å; S253-M283 WeakPolarHBondContact OG-CE 3.14Å; A279-M283 WeakPolarHBondContact O-CB 3.39Å; A279-M283 PolarHBondContact O-N 3.38Å; N280-M283 PolarHBondContact O-N 2.97Å; N280-M283 VanDerWaalsContact O-N 3.15Å; N281-M283 PolarHBondContact O-N 2.61Å; M283-C286 WeakPolarHBondContact O-CB 3.3Å; M283-C286 PolarHBondContact O-N 3.4Å; M283-C286 HydrophobicContact SD-CB 3.94Å; M283-K287 HydrophobicContact CG-CD 4.4Å; M283-K287 HydrophobicContact CG-CG 4.46Å; M283-K287 WeakPolarHBondContact O-CB 3.46Å; M283-K287 WeakPolarHBondContact O-CG 3.39Å; M283-K287 PolarHBondContact O-N 3.27Å; M283-A312 HydrophobicContact SD-CB 4.01Å; M283-A312 VanDerWaalsContact SD-O 3.36Å; M283-A315 HydrophobicContact CE-CB 3.46Å; M283-A315 VanDerWaalsContact CE-CB 3.46Å; M283-I319 HydrophobicContact CB-CD1 4.33Å; M283-I319 HydrophobicContact CE-CD1 3.63Å |
| 284 | E | 95.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 54.4 Ų | 54.4 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.4 | -34.2 | 171.3 | -63.7 | -49.7 | 135.1 | 0 | 0 | 112 | N280 N281 C286 K287 T288 | N280-E284 PolarHBondContact O-N 3.44Å; N281-E284 PolarHBondContact O-N 3.05Å; N281-E284 VanDerWaalsContact O-N 3.15Å; E284-C286 VanDerWaalsContact C-N 3.32Å; E284-C286 PolarHBondContact O-N 3.42Å; E284-K287 WeakPolarHBondContact OE1-CD 3.32Å; E284-K287 IonicContact OE1-NZ 2.65Å; E284-K287 PolarHBondContact OE1-NZ 3.49Å; E284-K287 WeakPolarHBondContact OE2-CD 3.42Å; E284-K287 IonicContact OE2-NZ 3.19Å; E284-T288 WeakPolarHBondContact O-CB 2.94Å; E284-T288 PolarHBondContact O-N 2.95Å; E284-T288 PolarHBondContact O-OG1 3.36Å |
| 285 | D | 93.3 | Very high | 89 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 166.1 | -65.9 | -26.8 | 0 | 0 | 0 | 110.4 | N281 R282 T288 N289 | N281-D285 PolarHBondContact O-N 2.9Å; N281-D285 VanDerWaalsContact O-N 3.08Å; R282-D285 IonicContact NH1-OD2 2.67Å; R282-D285 PolarHBondContact NH1-OD2 3.25Å; R282-D285 VanDerWaalsContact NH1-OD2 3.08Å; R282-D285 WeakPolarHBondContact O-CB 3.27Å; D285-T288 PolarHBondContact O-N 2.71Å; D285-N289 WeakPolarHBondContact O-CB 3.25Å; D285-N289 PolarHBondContact O-N 3.37Å; D285-N289 PolarHBondContact O-ND2 3Å |
| 286 | C | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -50.1 | -180 | -171 | 0 | 0 | 0 | 0 | 112.7 | I246 R282 M283 E284 T288 N289 A290 | I246-C286 PolarHBondContact O-SG 2.97Å; I246-C286 VanDerWaalsContact O-SG 3.39Å; R282-C286 PolarHBondContact O-N 3.46Å; R282-C286 VanDerWaalsContact O-N 3.13Å; M283-C286 WeakPolarHBondContact O-CB 3.3Å; M283-C286 PolarHBondContact O-N 3.4Å; M283-C286 HydrophobicContact SD-CB 3.94Å; E284-C286 VanDerWaalsContact C-N 3.32Å; E284-C286 PolarHBondContact O-N 3.42Å; C286-T288 VanDerWaalsContact C-N 3.32Å; C286-T288 PolarHBondContact O-N 3.26Å; C286-N289 PolarHBondContact O-N 2.79Å; C286-N289 VanDerWaalsContact O-N 3.11Å; C286-A290 WeakPolarHBondContact O-CB 3.41Å; C286-A290 PolarHBondContact O-N 3.27Å |
| 287 | K | 92.5 | Very high | 84 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 176.1 | -73.2 | 167.6 | 179 | 174.9 | 0 | 111.2 | M283 E284 N289 A290 K291 A312 | M283-K287 HydrophobicContact CG-CD 4.4Å; M283-K287 HydrophobicContact CG-CG 4.46Å; M283-K287 WeakPolarHBondContact O-CB 3.46Å; M283-K287 WeakPolarHBondContact O-CG 3.39Å; M283-K287 PolarHBondContact O-N 3.27Å; E284-K287 WeakPolarHBondContact OE1-CD 3.32Å; E284-K287 IonicContact OE1-NZ 2.65Å; E284-K287 PolarHBondContact OE1-NZ 3.49Å; E284-K287 WeakPolarHBondContact OE2-CD 3.42Å; E284-K287 IonicContact OE2-NZ 3.19Å; K287-N289 VanDerWaalsContact C-N 3.33Å; K287-N289 PolarHBondContact O-N 2.82Å; K287-A290 PolarHBondContact O-N 3.07Å; K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 PolarHBondContact O-N 3.13Å; K287-A312 WeakPolarHBondContact CE-O 3.34Å; K287-A312 HydrophobicContact CG-CB 4.14Å |
| 288 | T | 91 | Very high | 81.2 | Confident | 94 Ų | 94 | 67 Ų | 67 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 111 | E284 D285 C286 K291 | E284-T288 WeakPolarHBondContact O-CB 2.94Å; E284-T288 PolarHBondContact O-N 2.95Å; E284-T288 PolarHBondContact O-OG1 3.36Å; D285-T288 PolarHBondContact O-N 2.71Å; C286-T288 VanDerWaalsContact C-N 3.32Å; C286-T288 PolarHBondContact O-N 3.26Å; T288-K291 PolarHBondContact O-N 3.42Å |
| 289 | N | 86.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 178.2 | -80.8 | -37.8 | 0 | 0 | 0 | 113.4 | R242 I246 D285 C286 K287 | R242-N289 VanDerWaalsContact CZ-OD1 3.26Å; R242-N289 PolarHBondContact NE-O 3.07Å; R242-N289 PolarHBondContact NH1-OD1 2.85Å; R242-N289 VanDerWaalsContact NH2-CA 3.27Å; R242-N289 PolarHBondContact NH2-O 3.17Å; R242-N289 PolarHBondContact NH2-OD1 3.15Å; R242-N289 VanDerWaalsContact NH2-OD1 3.13Å; I246-N289 HydrophobicContact CG1-CB 3.86Å; D285-N289 WeakPolarHBondContact O-CB 3.25Å; D285-N289 PolarHBondContact O-N 3.37Å; D285-N289 PolarHBondContact O-ND2 3Å; C286-N289 PolarHBondContact O-N 2.79Å; C286-N289 VanDerWaalsContact O-N 3.11Å; K287-N289 VanDerWaalsContact C-N 3.33Å; K287-N289 PolarHBondContact O-N 2.82Å |
| 290 | A | 87.6 | Confident | 75.4 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -79.5 | -19.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I246 C286 K287 N292 F293 | I246-A290 HydrophobicContact CD1-CB 4.36Å; I246-A290 HydrophobicContact CG2-CB 4.4Å; C286-A290 WeakPolarHBondContact O-CB 3.41Å; C286-A290 PolarHBondContact O-N 3.27Å; K287-A290 PolarHBondContact O-N 3.07Å; A290-N292 PolarHBondContact O-N 3.08Å; A290-F293 PolarHBondContact O-N 3.13Å |
| 291 | K | 80.3 | Confident | 72.7 | Confident | 152 Ų | 152 | 79.3 Ų | 79.3 | 66% | 0.661 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -33.9 | -168.4 | -167.9 | 170.2 | -178 | 174.8 | 0 | 115.5 | K287 T288 | K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 PolarHBondContact O-N 3.13Å; T288-K291 PolarHBondContact O-N 3.42Å |
| 292 | N | 68.9 | Low | 70.1 | Confident | 149 Ų | 149 | 79.6 Ų | 79.6 | 80% | 0.797 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 15.7 | -179 | -64.5 | -12 | 0 | 0 | 0 | 113.1 | A290 | A290-N292 PolarHBondContact O-N 3.08Š|
| 293 | F | 75.7 | Confident | 67.8 | Low | 36 Ų | 36 | 78.4 Ų | 78.4 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | trans | -78.3 | 123.9 | 176.9 | -166.3 | -99.4 | 0 | 0 | 0 | 109.7 | E239 R242 R243 I246 A290 D295 Y308 | E239-F293 HydrophobicContact CG-CE2 4.36Å; E239-F293 HydrophobicContact CG-CZ 4.22Å; R242-F293 HydrophobicContact CB-CD2 4.5Å; R242-F293 HydrophobicContact CB-CE2 4.2Å; R242-F293 HydrophobicContact CG-CD2 3.76Å; R242-F293 HydrophobicContact CG-CE2 3.96Å; R243-F293 HydrophobicContact CG-CE1 4.45Å; R243-F293 HydrophobicContact CG-CE2 4.24Å; R243-F293 HydrophobicContact CG-CZ 3.68Å; I246-F293 HydrophobicContact CD1-CB 4.17Å; I246-F293 HydrophobicContact CD1-CD2 4.08Å; I246-F293 HydrophobicContact CD1-CG 4.03Å; A290-F293 PolarHBondContact O-N 3.13Å; F293-D295 PolarHBondContact O-N 3.35Å; F293-Y308 AromaticContact CD1-CD2 3.72Å; F293-Y308 HydrophobicContact CD1-CD2 3.72Å; F293-Y308 HydrophobicContact CD1-CE2 4.24Å; F293-Y308 AromaticContact CE1-CD2 3.65Å; F293-Y308 HydrophobicContact CE1-CD2 3.65Å; F293-Y308 AromaticContact CE1-CE2 3.68Å; F293-Y308 HydrophobicContact CE1-CE2 3.68Å; F293-Y308 HydrophobicContact CZ-CE2 4.32Å | ||
| 294 | K | 67.6 | Low | 65.3 | Low | 141 Ų | 141 | 79.8 Ų | 79.8 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | trans | -87.1 | 106.5 | 177 | -71.8 | -159.9 | -175.8 | -169.7 | 0 | 110.1 | S296 D297 | K294-S296 PolarHBondContact O-N 3.29Å; K294-D297 HydrophobicContact CD-CB 4.19Å; K294-D297 WeakPolarHBondContact CD-OD2 3.5Å; K294-D297 WeakPolarHBondContact CE-OD2 3.18Å; K294-D297 IonicContact NZ-OD1 3.53Å; K294-D297 IonicContact NZ-OD2 3.41Å; K294-D297 PolarHBondContact NZ-OD2 3.23Å | ||
| 295 | D | 58.1 | Low | 63.1 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 32% | 0.321 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 0.9 | 177.2 | -64.6 | -65.4 | 0 | 0 | 0 | 114.5 | F293 T307 Y308 | F293-D295 PolarHBondContact O-N 3.35Å; D295-T307 HydrophobicContact CB-CG2 4.05Å; D295-T307 WeakPolarHBondContact OD2-CB 3.49Å; D295-T307 VanDerWaalsContact OD2-CG2 3.3Å; D295-T307 WeakPolarHBondContact OD2-CG2 3.42Å; D295-Y308 WeakPolarHBondContact OD1-CD2 3.31Å |
| 296 | S | 48.1 | Very low | 61.4 | Low | 94 Ų | 94 | 76.2 Ų | 76.2 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -5.3 | -159.7 | 59.4 | 0 | 0 | 0 | 0 | 118.7 | K294 N298 | K294-S296 PolarHBondContact O-N 3.29Å; S296-N298 PolarHBondContact O-N 3.21Å |
| 297 | D | 42.4 | Very low | 60.7 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 51% | 0.508 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -95.4 | 20.7 | -160.2 | -85.8 | 37.7 | 0 | 0 | 0 | 116.1 | K294 | K294-D297 HydrophobicContact CD-CB 4.19Å; K294-D297 WeakPolarHBondContact CD-OD2 3.5Å; K294-D297 WeakPolarHBondContact CE-OD2 3.18Å; K294-D297 IonicContact NZ-OD1 3.53Å; K294-D297 IonicContact NZ-OD2 3.41Å; K294-D297 PolarHBondContact NZ-OD2 3.23Å |
| 298 | N | 40.5 | Very low | 60.4 | Low | 107 Ų | 107 | 77 Ų | 77 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | trans | -139.6 | 122.1 | 165.8 | -90.4 | -59.6 | 0 | 0 | 0 | 111.4 | S296 S300 | S296-N298 PolarHBondContact O-N 3.21Å; N298-S300 PolarHBondContact O-N 3.36Å | ||
| 299 | S | 36.2 | Very low | 60.2 | Low | 140 Ų | 140 | 80.1 Ų | 80.1 | 98% | 0.979 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -79.7 | 44.8 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 300 | S | 36.9 | Very low | 60.1 | Low | 93 Ų | 93 | 80 Ų | 80 | 65% | 0.65 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -143.6 | 128.4 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | N298 | N298-S300 PolarHBondContact O-N 3.36Š|
| 301 | M | 40.6 | Very low | 60.2 | Low | 82 Ų | 82 | 79.9 Ų | 79.9 | 40% | 0.404 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 56.3 | 81.8 | 178.8 | -90.4 | 163.9 | 42.8 | 0 | 0 | 117.1 | I127 | I127-M301 HydrophobicContact CD1-CE 4.02Å; I127-M301 HydrophobicContact CD1-SD 3.63Å; I127-M301 HydrophobicContact CG1-CE 3.67Å; I127-M301 HydrophobicContact CG1-SD 3.83Å; I127-M301 HydrophobicContact CG2-CG 4.47Å |
| 302 | M | 43.6 | Very low | 60.8 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 46% | 0.458 | 42% | 0.419 | S | S | . | . | trans | 34 | 116.8 | 133.4 | -52.2 | -169.9 | 74.5 | 0 | 0 | 118.7 | V130 K131 | V130-M302 WeakPolarHBondContact CG1-O 3.48Å; K131-M302 HydrophobicContact CB-CE 4.21Å; K131-M302 HydrophobicContact CB-SD 4.38Å; K131-M302 HydrophobicContact CD-CE 3.89Å; K131-M302 HydrophobicContact CD-SD 4Å; K131-M302 HydrophobicContact CG-CE 3.66Å; K131-M302 HydrophobicContact CG-SD 4.21Å | ||
| 303 | T | 47.1 | Very low | 61.9 | Low | 80 Ų | 80 | 68.1 Ų | 68.1 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | trans | -124.3 | 94.3 | 165 | 37.6 | 0 | 0 | 0 | 0 | 111.5 | P8 G305 | P8-T303 HydrophobicContact CB-CG2 4.32Å; T303-G305 PolarHBondContact O-N 2.86Å | ||
| 304 | S | 44.2 | Very low | 62.7 | Low | 30 Ų | 30 | 70.1 Ų | 70.1 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | trans | -79.2 | 98.7 | 166.7 | -71.6 | 0 | 0 | 0 | 0 | 109.7 | K131 E132 | K131-S304 WeakPolarHBondContact O-CB 3.18Å; K131-S304 PolarHBondContact O-OG 3.41Å; E132-S304 WeakPolarHBondContact O-CB 3.43Å | ||
| 305 | G | 50.8 | Low | 64 | Low | 46 Ų | 46 | 63.4 Ų | 63.4 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 174.9 | -180 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T303 | T303-G305 PolarHBondContact O-N 2.86Š|
| 306 | G | 57.6 | Low | 65.8 | Low | 20 Ų | 20 | 60.6 Ų | 60.6 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | trans | -78.6 | 162.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R6 P8 | R6-G306 PolarHBondContact O-N 3.09Å; P8-G306 VanDerWaalsContact CD-O 3.28Å; P8-G306 WeakPolarHBondContact CD-O 3.48Å; P8-G306 VanDerWaalsContact CG-O 3.27Å; P8-G306 WeakPolarHBondContact CG-O 3.2Å | ||
| 307 | T | 78.1 | Confident | 68.1 | Low | 63 Ų | 63 | 61.3 Ų | 61.3 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | trans | -67 | 147.5 | 169.2 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | D295 R309 A310 S311 | D295-T307 HydrophobicContact CB-CG2 4.05Å; D295-T307 WeakPolarHBondContact OD2-CB 3.49Å; D295-T307 VanDerWaalsContact OD2-CG2 3.3Å; D295-T307 WeakPolarHBondContact OD2-CG2 3.42Å; T307-R309 PolarHBondContact O-N 2.89Å; T307-R309 VanDerWaalsContact O-N 3.1Å; T307-A310 PolarHBondContact O-N 2.85Å; T307-A310 WeakPolarHBondContact OG1-CB 3.29Å; T307-A310 PolarHBondContact OG1-N 3.29Å; T307-A310 VanDerWaalsContact OG1-N 3.15Å; T307-S311 PolarHBondContact O-N 3.35Å; T307-S311 VanDerWaalsContact O-N 3.15Å; T307-S311 PolarHBondContact O-OG 2.96Å | ||
| 308 | Y | 86.9 | Confident | 70.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51.4 | -38.3 | 174.8 | -75.6 | -78.1 | 0 | 0 | 0 | 111.3 | L7 P8 R243 I246 K247 F293 D295 A312 | L7-Y308 HydrophobicContact CD2-CD1 3.81Å; L7-Y308 HydrophobicContact CD2-CE1 4.34Å; P8-Y308 HydrophobicContact CB-CD2 4.48Å; P8-Y308 HydrophobicContact CB-CE2 3.76Å; P8-Y308 HydrophobicContact CG-CD2 3.85Å; P8-Y308 HydrophobicContact CG-CE1 4.46Å; P8-Y308 HydrophobicContact CG-CE2 3.62Å; P8-Y308 HydrophobicContact CG-CG 4.36Å; P8-Y308 PolarHBondContact O-OH 3.35Å; R243-Y308 HydrophobicContact CG-CE2 4.09Å; I246-Y308 HydrophobicContact CB-CD1 4.33Å; I246-Y308 HydrophobicContact CD1-CG 4.41Å; I246-Y308 HydrophobicContact CG2-CD1 3.66Å; I246-Y308 HydrophobicContact CG2-CE1 4.49Å; I246-Y308 HydrophobicContact CG2-CG 4.2Å; K247-Y308 HydrophobicContact CG-CE1 4.18Å; F293-Y308 AromaticContact CD1-CD2 3.72Å; F293-Y308 HydrophobicContact CD1-CD2 3.72Å; F293-Y308 HydrophobicContact CD1-CE2 4.24Å; F293-Y308 AromaticContact CE1-CD2 3.65Å; F293-Y308 HydrophobicContact CE1-CD2 3.65Å; F293-Y308 AromaticContact CE1-CE2 3.68Å; F293-Y308 HydrophobicContact CE1-CE2 3.68Å; F293-Y308 HydrophobicContact CZ-CE2 4.32Å; D295-Y308 WeakPolarHBondContact OD1-CD2 3.31Å; Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 3.35Å; Y308-A312 VanDerWaalsContact O-N 3.11Å |
| 309 | R | 86.3 | Confident | 73.3 | Confident | 159 Ų | 159 | 54.5 Ų | 54.5 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 175.4 | -178.9 | 176.7 | 170.1 | -172 | -5.1 | 113.2 | T307 T313 | T307-R309 PolarHBondContact O-N 2.89Å; T307-R309 VanDerWaalsContact O-N 3.1Å; R309-T313 WeakPolarHBondContact O-CB 3.22Å; R309-T313 PolarHBondContact O-N 2.88Å; R309-T313 PolarHBondContact O-OG1 2.92Å |
| 310 | A | 85.7 | Confident | 76.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T307 T313 Y314 | T307-A310 PolarHBondContact O-N 2.85Å; T307-A310 WeakPolarHBondContact OG1-CB 3.29Å; T307-A310 PolarHBondContact OG1-N 3.29Å; T307-A310 VanDerWaalsContact OG1-N 3.15Å; A310-T313 PolarHBondContact O-N 3.24Å; A310-Y314 WeakPolarHBondContact O-CB 3.29Å; A310-Y314 PolarHBondContact O-N 2.92Å |
| 311 | S | 89.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | P5 L7 T307 T313 A315 | P5-S311 WeakPolarHBondContact O-CB 3.26Å; P5-S311 PolarHBondContact O-OG 2.82Å; L7-S311 VanDerWaalsContact CD2-CB 3.43Å; T307-S311 PolarHBondContact O-N 3.35Å; T307-S311 VanDerWaalsContact O-N 3.15Å; T307-S311 PolarHBondContact O-OG 2.96Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-T313 PolarHBondContact O-N 3.21Å; S311-A315 VanDerWaalsContact O-CB 3.25Å; S311-A315 WeakPolarHBondContact O-CB 3.27Å; S311-A315 PolarHBondContact O-N 2.85Å |
| 312 | A | 92.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -31.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M283 K287 Y308 G316 | M283-A312 HydrophobicContact SD-CB 4.01Å; M283-A312 VanDerWaalsContact SD-O 3.36Å; K287-A312 WeakPolarHBondContact CE-O 3.34Å; K287-A312 HydrophobicContact CG-CB 4.14Å; Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 3.35Å; Y308-A312 VanDerWaalsContact O-N 3.11Å; A312-G316 PolarHBondContact O-N 3.31Å; A312-G316 VanDerWaalsContact O-N 3.12Å |
| 313 | T | 91.5 | Very high | 84.4 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.6 | -55.4 | 174.9 | -54 | 0 | 0 | 0 | 0 | 110.2 | R309 A310 S311 A315 G316 E317 | R309-T313 WeakPolarHBondContact O-CB 3.22Å; R309-T313 PolarHBondContact O-N 2.88Å; R309-T313 PolarHBondContact O-OG1 2.92Å; A310-T313 PolarHBondContact O-N 3.24Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-T313 PolarHBondContact O-N 3.21Å; T313-A315 PolarHBondContact O-N 3.32Å; T313-G316 PolarHBondContact O-N 2.8Å; T313-G316 VanDerWaalsContact O-N 3.15Å; T313-E317 WeakPolarHBondContact CG2-OE1 3.35Å; T313-E317 WeakPolarHBondContact O-CG 3.44Å; T313-E317 PolarHBondContact O-N 3.29Å |
| 314 | Y | 93.1 | Very high | 86.8 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -49 | -178.7 | 178.1 | -91.2 | 0 | 0 | 0 | 112.8 | L4 A310 G316 E317 L318 | L4-Y314 HydrophobicContact CB-CD1 4.44Å; L4-Y314 HydrophobicContact CB-CE1 4.23Å; L4-Y314 HydrophobicContact CD1-CD1 3.94Å; A310-Y314 WeakPolarHBondContact O-CB 3.29Å; A310-Y314 PolarHBondContact O-N 2.92Å; Y314-G316 VanDerWaalsContact C-N 3.3Å; Y314-G316 PolarHBondContact O-N 3.16Å; Y314-E317 PolarHBondContact O-N 3.37Å; Y314-L318 HydrophobicContact CD1-CD1 4.02Å; Y314-L318 HydrophobicContact CE1-CD1 3.47Å; Y314-L318 VanDerWaalsContact CE1-CD1 3.47Å; Y314-L318 PolarHBondContact O-N 3.15Å |
| 315 | A | 94.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 L4 F250 M283 S311 T313 L318 I319 | M1-A315 HydrophobicContact CE-CB 4.4Å; L4-A315 HydrophobicContact CD1-CB 3.99Å; F250-A315 HydrophobicContact CE2-CB 3.83Å; F250-A315 HydrophobicContact CZ-CB 4.07Å; M283-A315 HydrophobicContact CE-CB 3.46Å; M283-A315 VanDerWaalsContact CE-CB 3.46Å; S311-A315 VanDerWaalsContact O-CB 3.25Å; S311-A315 WeakPolarHBondContact O-CB 3.27Å; S311-A315 PolarHBondContact O-N 2.85Å; T313-A315 PolarHBondContact O-N 3.32Å; A315-L318 PolarHBondContact O-N 3.25Å; A315-I319 WeakPolarHBondContact O-CB 3.17Å; A315-I319 WeakPolarHBondContact O-CD1 3.41Å; A315-I319 WeakPolarHBondContact O-CG1 3.33Å; A315-I319 PolarHBondContact O-N 3.09Å |
| 316 | G | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A312 T313 Y314 S320 | A312-G316 PolarHBondContact O-N 3.31Å; A312-G316 VanDerWaalsContact O-N 3.12Å; T313-G316 PolarHBondContact O-N 2.8Å; T313-G316 VanDerWaalsContact O-N 3.15Å; Y314-G316 VanDerWaalsContact C-N 3.3Å; Y314-G316 PolarHBondContact O-N 3.16Å; G316-S320 WeakPolarHBondContact O-CB 3.36Å; G316-S320 PolarHBondContact O-N 2.93Å |
| 317 | E | 95.8 | Very high | 93.4 | Very high | 110 Ų | 110 | 45.6 Ų | 45.6 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -44.2 | 170.8 | -73.8 | 170.4 | -169.2 | 0 | 0 | 110.7 | T313 Y314 S320 N321 | T313-E317 WeakPolarHBondContact CG2-OE1 3.35Å; T313-E317 WeakPolarHBondContact O-CG 3.44Å; T313-E317 PolarHBondContact O-N 3.29Å; Y314-E317 PolarHBondContact O-N 3.37Å; E317-S320 PolarHBondContact O-N 3.42Å; E317-N321 VanDerWaalsContact O-CB 3.27Å; E317-N321 WeakPolarHBondContact O-CB 3.33Å; E317-N321 PolarHBondContact O-N 3.23Å; E317-N321 PolarHBondContact O-ND2 3.1Å; E317-N321 VanDerWaalsContact O-ND2 3.08Å |
| 318 | L | 96.2 | Very high | 94.3 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176 | -68.5 | 176.1 | 0 | 0 | 0 | 112.9 | M1 Y314 A315 K322 | M1-L318 HydrophobicContact CE-CB 3.91Å; M1-L318 HydrophobicContact CE-CD1 4.3Å; M1-L318 HydrophobicContact SD-CB 4.28Å; M1-L318 HydrophobicContact SD-CD1 3.54Å; M1-L318 VanDerWaalsContact SD-CD1 3.54Å; Y314-L318 HydrophobicContact CD1-CD1 4.02Å; Y314-L318 HydrophobicContact CE1-CD1 3.47Å; Y314-L318 VanDerWaalsContact CE1-CD1 3.47Å; Y314-L318 PolarHBondContact O-N 3.15Å; A315-L318 PolarHBondContact O-N 3.25Å; L318-K322 VanDerWaalsContact O-CB 3.28Å; L318-K322 WeakPolarHBondContact O-CB 3.4Å; L318-K322 PolarHBondContact O-N 2.77Å |
| 319 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.7 | -69.2 | 163.2 | 0 | 0 | 0 | 110.8 | M1 Y257 A279 N280 M283 A315 K322 L323 | M1-I319 HydrophobicContact CE-CD1 4.46Å; M1-I319 HydrophobicContact CE-CG1 3.97Å; Y257-I319 HydrophobicContact CD2-CB 4.45Å; Y257-I319 HydrophobicContact CD2-CG1 3.65Å; Y257-I319 HydrophobicContact CE2-CG1 4.32Å; Y257-I319 HydrophobicContact CG-CG1 4.14Å; A279-I319 HydrophobicContact CB-CG2 3.83Å; N280-I319 HydrophobicContact CB-CG2 3.97Å; M283-I319 HydrophobicContact CB-CD1 4.33Å; M283-I319 HydrophobicContact CE-CD1 3.63Å; A315-I319 WeakPolarHBondContact O-CB 3.17Å; A315-I319 WeakPolarHBondContact O-CD1 3.41Å; A315-I319 WeakPolarHBondContact O-CG1 3.33Å; A315-I319 PolarHBondContact O-N 3.09Å; I319-K322 PolarHBondContact O-N 3.2Å; I319-L323 WeakPolarHBondContact O-CB 3.32Å; I319-L323 PolarHBondContact O-N 3.24Å |
| 320 | S | 97.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -45.5 | -178.7 | -164.3 | 0 | 0 | 0 | 0 | 111.6 | N280 G316 E317 K322 L323 T324 | N280-S320 WeakPolarHBondContact OD1-CA 3.48Å; N280-S320 WeakPolarHBondContact OD1-CB 3.25Å; G316-S320 WeakPolarHBondContact O-CB 3.36Å; G316-S320 PolarHBondContact O-N 2.93Å; E317-S320 PolarHBondContact O-N 3.42Å; S320-K322 VanDerWaalsContact C-N 3.34Å; S320-K322 PolarHBondContact O-N 3.32Å; S320-L323 PolarHBondContact O-N 3.33Å; S320-T324 PolarHBondContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.01Å |
| 321 | N | 96.7 | Very high | 95.8 | Very high | 108 Ų | 108 | 46.2 Ų | 46.2 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.6 | -43.1 | 174.8 | -72.9 | -28.6 | 0 | 0 | 0 | 112 | E317 T324 S325 | E317-N321 VanDerWaalsContact O-CB 3.27Å; E317-N321 WeakPolarHBondContact O-CB 3.33Å; E317-N321 PolarHBondContact O-N 3.23Å; E317-N321 PolarHBondContact O-ND2 3.1Å; E317-N321 VanDerWaalsContact O-ND2 3.08Å; N321-T324 PolarHBondContact O-N 3.1Å; N321-S325 PolarHBondContact O-N 3.22Å; N321-S325 PolarHBondContact O-OG 3.17Å |
| 322 | K | 97.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 178.5 | -176.8 | 52.5 | 168.7 | 165.2 | 0 | 112.4 | Y257 E264 F276 L318 I319 S320 T324 S325 S326 | Y257-K322 HydrophobicContact CE2-CB 4.14Å; Y257-K322 HydrophobicContact CE2-CG 4.01Å; E264-K322 WeakPolarHBondContact OE1-CE 3.09Å; E264-K322 IonicContact OE1-NZ 2.68Å; E264-K322 PolarHBondContact OE1-NZ 3.1Å; E264-K322 WeakPolarHBondContact OE2-CE 3.35Å; E264-K322 IonicContact OE2-NZ 3.4Å; E264-K322 PolarHBondContact OE2-NZ 3.39Å; F276-K322 HydrophobicContact CD1-CG 4.36Å; F276-K322 HydrophobicContact CE1-CG 4.02Å; F276-K322 HydrophobicContact CE2-CG 4.19Å; F276-K322 HydrophobicContact CZ-CD 4.44Å; F276-K322 HydrophobicContact CZ-CG 3.94Å; L318-K322 VanDerWaalsContact O-CB 3.28Å; L318-K322 WeakPolarHBondContact O-CB 3.4Å; L318-K322 PolarHBondContact O-N 2.77Å; I319-K322 PolarHBondContact O-N 3.2Å; S320-K322 VanDerWaalsContact C-N 3.34Å; S320-K322 PolarHBondContact O-N 3.32Å; K322-T324 VanDerWaalsContact C-N 3.34Å; K322-T324 PolarHBondContact O-N 2.96Å; K322-S325 PolarHBondContact O-N 2.99Å; K322-S325 PolarHBondContact O-OG 3.05Å; K322-S326 PolarHBondContact NZ-OG 3.15Å; K322-S326 PolarHBondContact O-N 3.04Å; K322-S326 PolarHBondContact O-OG 3.27Å |
| 323 | L | 97.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 171.6 | 172.4 | 57.5 | 0 | 0 | 0 | 111 | I273 F276 K277 N280 I319 S320 T327 | I273-L323 HydrophobicContact CG2-CD1 4.1Å; F276-L323 HydrophobicContact CB-CB 4.07Å; F276-L323 HydrophobicContact CB-CD1 3.89Å; K277-L323 HydrophobicContact CG-CD1 3.57Å; K277-L323 HydrophobicContact CG-CD2 4.15Å; N280-L323 HydrophobicContact CB-CD2 3.83Å; I319-L323 WeakPolarHBondContact O-CB 3.32Å; I319-L323 PolarHBondContact O-N 3.24Å; S320-L323 PolarHBondContact O-N 3.33Å; L323-T327 WeakPolarHBondContact O-CB 3.37Å; L323-T327 PolarHBondContact O-N 2.8Å; L323-T327 PolarHBondContact O-OG1 3.1Å |
| 324 | T | 97.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | S320 N321 K322 K328 | S320-T324 PolarHBondContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.01Å; N321-T324 PolarHBondContact O-N 3.1Å; K322-T324 VanDerWaalsContact C-N 3.34Å; K322-T324 PolarHBondContact O-N 2.96Å; T324-K328 WeakPolarHBondContact O-CB 3.34Å; T324-K328 PolarHBondContact O-N 3.38Å |
| 325 | S | 97.2 | Very high | 96.5 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -52.2 | 177.9 | 63.2 | 0 | 0 | 0 | 0 | 112 | N321 K322 T327 K328 D329 | N321-S325 PolarHBondContact O-N 3.22Å; N321-S325 PolarHBondContact O-OG 3.17Å; K322-S325 PolarHBondContact O-N 2.99Å; K322-S325 PolarHBondContact O-OG 3.05Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 2.96Å; S325-K328 WeakPolarHBondContact O-CB 3.49Å; S325-K328 PolarHBondContact O-N 3.13Å; S325-K328 VanDerWaalsContact O-N 3.13Å; S325-D329 VanDerWaalsContact O-CG 3.29Å; S325-D329 PolarHBondContact O-N 3.01Å |
| 326 | S | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -31.1 | -176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | E264 I273 K322 D329 N330 | E264-S326 PolarHBondContact OE1-OG 2.72Å; I273-S326 WeakPolarHBondContact CD1-O 3.49Å; K322-S326 PolarHBondContact NZ-OG 3.15Å; K322-S326 PolarHBondContact O-N 3.04Å; K322-S326 PolarHBondContact O-OG 3.27Å; S326-D329 PolarHBondContact O-N 2.78Å; S326-N330 WeakPolarHBondContact O-CB 3.43Å; S326-N330 PolarHBondContact O-N 3.48Å |
| 327 | T | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 17% | 0.172 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 170 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | L323 S325 D329 N330 D331 | L323-T327 WeakPolarHBondContact O-CB 3.37Å; L323-T327 PolarHBondContact O-N 2.8Å; L323-T327 PolarHBondContact O-OG1 3.1Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 2.96Å; T327-D329 PolarHBondContact O-N 3.37Å; T327-N330 PolarHBondContact O-N 3.3Å; T327-D331 WeakPolarHBondContact O-CB 3.45Å; T327-D331 PolarHBondContact O-N 2.89Å |
| 328 | K | 97.6 | Very high | 96.6 | Very high | 124 Ų | 124 | 71.8 Ų | 71.8 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.1 | -178 | -168.3 | 174.2 | -163 | 0 | 111.6 | T324 S325 N330 D331 F332 | T324-K328 WeakPolarHBondContact O-CB 3.34Å; T324-K328 PolarHBondContact O-N 3.38Å; S325-K328 WeakPolarHBondContact O-CB 3.49Å; S325-K328 PolarHBondContact O-N 3.13Å; S325-K328 VanDerWaalsContact O-N 3.13Å; K328-N330 VanDerWaalsContact C-N 3.28Å; K328-N330 PolarHBondContact O-N 2.81Å; K328-D331 PolarHBondContact O-N 3.47Å; K328-F332 HydrophobicContact CG-CD2 3.69Å; K328-F332 HydrophobicContact CG-CE2 3.99Å; K328-F332 VanDerWaalsContact O-CD2 3.28Å; K328-F332 WeakPolarHBondContact O-CD2 3.39Å; K328-F332 PolarHBondContact O-N 3.08Å |
| 329 | D | 96.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | -178.2 | -61.7 | -22.2 | 0 | 0 | 0 | 111.3 | S325 S326 T327 I333 Y334 | S325-D329 VanDerWaalsContact O-CG 3.29Å; S325-D329 PolarHBondContact O-N 3.01Å; S326-D329 PolarHBondContact O-N 2.78Å; T327-D329 PolarHBondContact O-N 3.37Å; D329-I333 HydrophobicContact CB-CD1 4.27Å; D329-I333 VanDerWaalsContact O-CA 3.32Å; D329-I333 WeakPolarHBondContact O-CA 3.32Å; D329-I333 WeakPolarHBondContact O-CB 3.47Å; D329-I333 WeakPolarHBondContact O-CG1 3.32Å; D329-I333 PolarHBondContact O-N 3.12Å; D329-Y334 HydrophobicContact CB-CD2 4.34Å; D329-Y334 HydrophobicContact CB-CE2 3.82Å; D329-Y334 PolarHBondContact O-N 3.03Å |
| 330 | N | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | I | π-helix | trans | -72.1 | -40.4 | 170.3 | -171.2 | 76.6 | 0 | 0 | 0 | 113.3 | I273 S326 T327 K328 F332 Y334 H335 E336 | I273-N330 HydrophobicContact CD1-CB 3.33Å; S326-N330 WeakPolarHBondContact O-CB 3.43Å; S326-N330 PolarHBondContact O-N 3.48Å; T327-N330 PolarHBondContact O-N 3.3Å; K328-N330 VanDerWaalsContact C-N 3.28Å; K328-N330 PolarHBondContact O-N 2.81Å; N330-F332 PolarHBondContact O-N 3.25Å; N330-Y334 HydrophobicContact CB-CD2 4.48Å; N330-H335 VanDerWaalsContact O-CA 3.31Å; N330-H335 WeakPolarHBondContact O-CA 3.43Å; N330-H335 PolarHBondContact O-N 3.45Å; N330-H335 PolarHBondContact O-ND1 3.46Å; N330-E336 PolarHBondContact ND2-O 3.24Å; N330-E336 WeakPolarHBondContact OD1-CB 3.47Å; N330-E336 PolarHBondContact OD1-N 3.49Å |
| 331 | D | 96.1 | Very high | 96.2 | Very high | 86 Ų | 86 | 79 Ų | 79 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -70 | -19.5 | -179.4 | -69.2 | -10.5 | 0 | 0 | 0 | 113.1 | T327 K328 H335 | T327-D331 WeakPolarHBondContact O-CB 3.45Å; T327-D331 PolarHBondContact O-N 2.89Å; K328-D331 PolarHBondContact O-N 3.47Å; D331-H335 PolarHBondContact O-CE1 3.47Å |
| 332 | F | 95.4 | Very high | 95.9 | Very high | 160 Ų | 160 | 81.6 Ų | 81.6 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | I | π-helix | trans | -121 | -9.6 | -179.2 | -68 | -72 | 0 | 0 | 0 | 116 | K328 N330 | K328-F332 HydrophobicContact CG-CD2 3.69Å; K328-F332 HydrophobicContact CG-CE2 3.99Å; K328-F332 VanDerWaalsContact O-CD2 3.28Å; K328-F332 WeakPolarHBondContact O-CD2 3.39Å; K328-F332 PolarHBondContact O-N 3.08Å; N330-F332 PolarHBondContact O-N 3.25Å |
| 333 | I | 95.5 | Very high | 95.7 | Very high | 106 Ų | 106 | 83 Ų | 83 | 54% | 0.544 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -132.9 | -57.4 | -175.9 | -43.5 | 176.4 | 0 | 0 | 0 | 112.3 | D329 | D329-I333 HydrophobicContact CB-CD1 4.27Å; D329-I333 VanDerWaalsContact O-CA 3.32Å; D329-I333 WeakPolarHBondContact O-CA 3.32Å; D329-I333 WeakPolarHBondContact O-CB 3.47Å; D329-I333 WeakPolarHBondContact O-CG1 3.32Å; D329-I333 PolarHBondContact O-N 3.12Å |
| 334 | Y | 95.6 | Very high | 95.5 | Very high | 96 Ų | 96 | 83 Ų | 83 | 38% | 0.376 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -89.7 | -33.4 | -167.6 | -50.4 | -57.6 | 0 | 0 | 0 | 114.6 | Y269 D329 N330 E336 | Y269-Y334 AromaticContact CD1-CD2 3.94Å; Y269-Y334 HydrophobicContact CD1-CD2 3.94Å; Y269-Y334 AromaticContact CD1-CE2 3.74Å; Y269-Y334 HydrophobicContact CD1-CE2 3.74Å; Y269-Y334 AromaticContact CD2-CD1 3.67Å; Y269-Y334 HydrophobicContact CD2-CD1 3.67Å; Y269-Y334 AromaticContact CD2-CD2 3.56Å; Y269-Y334 HydrophobicContact CD2-CD2 3.56Å; Y269-Y334 HydrophobicContact CD2-CE1 4.05Å; Y269-Y334 AromaticContact CD2-CE2 3.95Å; Y269-Y334 HydrophobicContact CD2-CE2 3.95Å; Y269-Y334 AromaticContact CD2-CG 3.4Å; Y269-Y334 HydrophobicContact CD2-CG 3.4Å; Y269-Y334 HydrophobicContact CE1-CD2 4.4Å; Y269-Y334 HydrophobicContact CE1-CE1 4.46Å; Y269-Y334 AromaticContact CE1-CE2 3.86Å; Y269-Y334 HydrophobicContact CE1-CE2 3.86Å; Y269-Y334 AromaticContact CE1-CZ 3.89Å; Y269-Y334 AromaticContact CE2-CD1 3.55Å; Y269-Y334 HydrophobicContact CE2-CD1 3.55Å; Y269-Y334 HydrophobicContact CE2-CD2 4.05Å; Y269-Y334 AromaticContact CE2-CE1 3.56Å; Y269-Y334 HydrophobicContact CE2-CE1 3.56Å; Y269-Y334 HydrophobicContact CE2-CE2 4.06Å; Y269-Y334 AromaticContact CE2-CG 3.81Å; Y269-Y334 HydrophobicContact CE2-CG 3.81Å; Y269-Y334 AromaticContact CE2-CZ 3.82Å; Y269-Y334 HydrophobicContact CG-CD1 4.44Å; Y269-Y334 AromaticContact CG-CD2 3.49Å; Y269-Y334 HydrophobicContact CG-CD2 3.49Å; Y269-Y334 VanDerWaalsContact CG-CD2 3.49Å; Y269-Y334 AromaticContact CG-CE2 3.79Å; Y269-Y334 HydrophobicContact CG-CE2 3.79Å; Y269-Y334 AromaticContact CG-CG 3.85Å; Y269-Y334 HydrophobicContact CG-CG 3.85Å; Y269-Y334 AromaticContact CZ-CE1 3.79Å; Y269-Y334 AromaticContact CZ-CZ 3.65Å; D329-Y334 HydrophobicContact CB-CD2 4.34Å; D329-Y334 HydrophobicContact CB-CE2 3.82Å; D329-Y334 PolarHBondContact O-N 3.03Å; N330-Y334 HydrophobicContact CB-CD2 4.48Å; Y334-E336 PolarHBondContact O-N 3.1Å; Y334-E336 VanDerWaalsContact O-N 3.13Å |
| 335 | H | 94.9 | Very high | 95.1 | Very high | 135 Ų | 135 | 85 Ų | 85 | 63% | 0.625 | 42% | 0.421 | S | S | * | . | trans | 50.9 | 29.1 | -178.6 | -56.5 | -60 | 0 | 0 | 0 | 115.6 | N330 D331 | N330-H335 VanDerWaalsContact O-CA 3.31Å; N330-H335 WeakPolarHBondContact O-CA 3.43Å; N330-H335 PolarHBondContact O-N 3.45Å; N330-H335 PolarHBondContact O-ND1 3.46Å; D331-H335 PolarHBondContact O-CE1 3.47Å | ||
| 336 | E | 95.4 | Very high | 94.7 | Very high | 60 Ų | 60 | 90.9 Ų | 90.9 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | trans | -68.8 | 146.7 | 174 | -72.6 | -175.5 | -142.6 | 0 | 0 | 111.8 | V268 Y269 G270 N330 Y334 I338 | V268-E336 VanDerWaalsContact C-OE2 3.31Å; Y269-E336 WeakPolarHBondContact CD2-OE1 3.49Å; Y269-E336 PolarHBondContact N-OE1 3.48Å; Y269-E336 PolarHBondContact N-OE2 3.36Å; G270-E336 PolarHBondContact N-OE2 2.66Å; N330-E336 PolarHBondContact ND2-O 3.24Å; N330-E336 WeakPolarHBondContact OD1-CB 3.47Å; N330-E336 PolarHBondContact OD1-N 3.49Å; Y334-E336 PolarHBondContact O-N 3.1Å; Y334-E336 VanDerWaalsContact O-N 3.13Å; E336-I338 PolarHBondContact O-N 3.3Å | ||
| 337 | L | 95.4 | Very high | 94.6 | Very high | 166 Ų | 166 | 92.1 Ų | 92.1 | 87% | 0.869 | 45% | 0.45 | S | S | * | . | trans | -71.2 | 118.4 | 171.9 | -66.5 | 175.7 | 0 | 0 | 0 | 109.9 | P339 | L337-P339 WeakPolarHBondContact O-CD 3.41Š| ||
| 338 | I | 97.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 99 Ų | 99 | 29% | 0.287 | 48% | 0.478 | S | S | . | . | trans | -74.5 | 115.3 | 175.5 | -57.4 | 165.3 | 0 | 0 | 0 | 108.2 | I273 A274 E336 | I273-I338 HydrophobicContact CB-CD1 4.31Å; I273-I338 HydrophobicContact CB-CG1 4.23Å; I273-I338 HydrophobicContact CB-CG2 4.39Å; I273-I338 HydrophobicContact CD1-CD1 4.27Å; I273-I338 HydrophobicContact CD1-CG1 4.29Å; I273-I338 HydrophobicContact CG2-CD1 3.69Å; I273-I338 HydrophobicContact CG2-CG1 4.1Å; I273-I338 HydrophobicContact CG2-CG2 4.13Å; A274-I338 HydrophobicContact CB-CG2 3.98Å; E336-I338 PolarHBondContact O-N 3.3Å | ||
| 339 | P | 94.6 | Very high | 94.3 | Very high | 47 Ų | 47 | 93.8 Ų | 93.8 | 31% | 0.305 | 46% | 0.458 | S | S | . | . | trans | -69.9 | 164.4 | 179.4 | 30.5 | -34.1 | 0 | 0 | 0 | 111.2 | G270 K271 A274 L337 L344 | G270-P339 WeakPolarHBondContact O-CD 3.32Å; K271-P339 HydrophobicContact CB-CG 4.33Å; K271-P339 HydrophobicContact CG-CG 4.36Å; A274-P339 HydrophobicContact CB-CG 3.81Å; A274-P339 WeakPolarHBondContact CB-O 3.48Å; L337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-L344 HydrophobicContact CG-CD2 4.36Å | ||
| 340 | K | 94.7 | Very high | 94.2 | Very high | 156 Ų | 156 | 94 Ų | 94 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | trans | -72.4 | 149.3 | 176.1 | -62.8 | -170.9 | 177 | -177.2 | 0 | 110.9 | E342 S343 | K340-E342 VanDerWaalsContact CB-OE2 3.32Å; K340-E342 WeakPolarHBondContact CB-OE2 3.43Å; K340-E342 PolarHBondContact O-N 3.42Å; K340-S343 PolarHBondContact N-OG 3.22Å; K340-S343 PolarHBondContact O-N 2.69Å; K340-S343 PolarHBondContact O-OG 2.81Å | ||
| 341 | I | 93.2 | Very high | 94.1 | Very high | 53 Ų | 53 | 95.9 Ų | 95.9 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -62 | -33.6 | -179 | -66.7 | 177.5 | 0 | 0 | 0 | 111.2 | K277 L278 S343 L344 | K277-I341 HydrophobicContact CB-CD1 4.25Å; L278-I341 HydrophobicContact CB-CD1 4.46Å; L278-I341 HydrophobicContact CB-CG2 4.18Å; L278-I341 HydrophobicContact CD1-CG2 3.93Å; L278-I341 HydrophobicContact CD2-CG2 4.23Å; L278-I341 HydrophobicContact CG-CG2 4.34Å; I341-S343 PolarHBondContact O-N 3.12Å; I341-L344 PolarHBondContact O-N 2.59Å |
| 342 | E | 91.8 | Very high | 94 | Very high | 163 Ų | 163 | 97.1 Ų | 97.1 | 76% | 0.762 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -73.3 | -7.8 | 178.1 | -46.4 | 76.2 | -159.9 | 0 | 0 | 113.4 | K340 | K340-E342 VanDerWaalsContact CB-OE2 3.32Å; K340-E342 WeakPolarHBondContact CB-OE2 3.43Å; K340-E342 PolarHBondContact O-N 3.42Å |
| 343 | S | 92.8 | Very high | 94 | Very high | 75 Ų | 75 | 90 Ų | 90 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -102.2 | 8.4 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | K340 I341 | K340-S343 PolarHBondContact N-OG 3.22Å; K340-S343 PolarHBondContact O-N 2.69Å; K340-S343 PolarHBondContact O-OG 2.81Å; I341-S343 PolarHBondContact O-N 3.12Å |
| 344 | L | 93.3 | Very high | 94 | Very high | 25 Ų | 25 | 92.4 Ų | 92.4 | 13% | 0.131 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -82.7 | 134.6 | 174.3 | -62.8 | 174.9 | 0 | 0 | 0 | 110.8 | K271 A274 W275 L278 P339 I341 | K271-L344 HydrophobicContact CG-CD2 3.95Å; A274-L344 HydrophobicContact CB-CD1 4.15Å; A274-L344 HydrophobicContact CB-CD2 4Å; A274-L344 HydrophobicContact CB-CG 4.47Å; W275-L344 HydrophobicContact CD2-CD1 3.88Å; W275-L344 HydrophobicContact CD2-CD2 4.41Å; W275-L344 HydrophobicContact CE3-CD1 3.94Å; W275-L344 HydrophobicContact CG-CD1 4.27Å; W275-L344 HydrophobicContact CH2-CB 4.1Å; W275-L344 HydrophobicContact CZ2-CB 3.99Å; W275-L344 HydrophobicContact CZ3-CD1 4.35Å; L278-L344 HydrophobicContact CD2-CD1 4.25Å; P339-L344 HydrophobicContact CG-CD2 4.36Å; I341-L344 PolarHBondContact O-N 2.59Å |
| 345 | E | 89.6 | Confident | 93.9 | Very high | 133 Ų | 133 | 89 Ų | 89 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 130.4 | 179.3 | -65.7 | 160.7 | 147.2 | 0 | 0 | 111 | K271 W275 I347 | K271-E345 IonicContact NZ-OE2 3.29Å; K271-E345 PolarHBondContact NZ-OE2 3Å; W275-E345 VanDerWaalsContact CH2-O 3.29Å; W275-E345 WeakPolarHBondContact CH2-O 3.48Å; W275-E345 WeakPolarHBondContact CZ2-O 3.43Å; E345-I347 PolarHBondContact O-N 3Å |
| 346 | Q | 88.8 | Confident | 93.9 | Very high | 170 Ų | 170 | 84.8 Ų | 84.8 | 79% | 0.794 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 119.9 | 177.2 | -175.5 | 173.7 | -1 | 0 | 0 | 110.6 | ||
| 347 | I | 93.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 85.9 Ų | 85.9 | 16% | 0.164 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 134.8 | 171.8 | -66.4 | 177.9 | 0 | 0 | 0 | 108.7 | A205 K206 Q209 T255 A259 W275 E345 | A205-I347 HydrophobicContact CB-CD1 4.05Å; K206-I347 HydrophobicContact CG-CG2 3.77Å; Q209-I347 HydrophobicContact CB-CG2 4.09Å; Q209-I347 HydrophobicContact CG-CB 4.47Å; Q209-I347 HydrophobicContact CG-CG2 4.18Å; Q209-I347 WeakPolarHBondContact CG-O 3.37Å; T255-I347 HydrophobicContact CG2-CB 4.28Å; T255-I347 HydrophobicContact CG2-CD1 3.92Å; T255-I347 HydrophobicContact CG2-CG2 4.37Å; A259-I347 HydrophobicContact CB-CD1 3.54Å; W275-I347 HydrophobicContact CH2-CD1 4.28Å; W275-I347 HydrophobicContact CH2-CG1 4.28Å; W275-I347 HydrophobicContact CZ2-CD1 4.47Å; E345-I347 PolarHBondContact O-N 3Å |
| 348 | K | 94.2 | Very high | 93.6 | Very high | 174 Ų | 174 | 79.1 Ų | 79.1 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 127 | 172.8 | -176 | 173.8 | -179 | 175.6 | 0 | 110.2 | ||
| 349 | G | 94.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 80.4 Ų | 80.4 | 13% | 0.134 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 144 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 350 | V | 95.7 | Very high | 92.7 | Very high | 64 Ų | 64 | 79.1 Ų | 79.1 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | trans | -128.4 | 111.7 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | Q187 K206 I352 | Q187-V350 PolarHBondContact NE2-O 3.26Å; K206-V350 HydrophobicContact CB-CB 4.34Å; K206-V350 HydrophobicContact CB-CG2 4.1Å; K206-V350 HydrophobicContact CD-CG2 4.42Å; K206-V350 PolarHBondContact O-N 3.36Å; V350-I352 HydrophobicContact CG1-CG2 4.08Å | ||
| 351 | C | 93.9 | Very high | 92.1 | Very high | 43 Ų | 43 | 74.4 Ų | 74.4 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | trans | -79.5 | 136 | 166.7 | -165.9 | 0 | 0 | 0 | 0 | 109.9 | Y210 V353 | Y210-C351 HydrophobicContact CD1-CB 3.68Å; Y210-C351 HydrophobicContact CD2-CB 3.9Å; Y210-C351 HydrophobicContact CE1-CB 3.5Å; Y210-C351 WeakPolarHBondContact CE1-SG 3.4Å; Y210-C351 HydrophobicContact CE2-CB 3.73Å; Y210-C351 HydrophobicContact CG-CB 3.86Å; C351-V353 VanDerWaalsContact SG-CG2 3.52Å; C351-V353 PolarHBondContact SG-O 2.87Å | ||
| 352 | I | 94.8 | Very high | 91.6 | Very high | 112 Ų | 112 | 75.1 Ų | 75.1 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | trans | -119.7 | -8.5 | 169.6 | 72.1 | 169.8 | 0 | 0 | 0 | 113.2 | V190 L207 V350 | V190-I352 HydrophobicContact CG1-CD1 3.66Å; V190-I352 HydrophobicContact CG1-CG1 3.92Å; L207-I352 HydrophobicContact CD2-CD1 4.1Å; L207-I352 HydrophobicContact CD2-CG1 4.02Å; L207-I352 HydrophobicContact CD2-CG2 3.81Å; V350-I352 HydrophobicContact CG1-CG2 4.08Å | ||
| 353 | V | 95.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | trans | -85.5 | 149.6 | 172.2 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | Q148 L183 A186 Q187 V190 C351 | Q148-V353 HydrophobicContact CG-CB 4.2Å; L183-V353 HydrophobicContact CD1-CB 4.23Å; L183-V353 HydrophobicContact CD1-CG2 3.66Å; L183-V353 HydrophobicContact CG-CG2 3.95Å; A186-V353 HydrophobicContact CB-CB 4.09Å; A186-V353 HydrophobicContact CB-CG1 4.01Å; A186-V353 HydrophobicContact CB-CG2 4.04Å; Q187-V353 HydrophobicContact CB-CG2 3.83Å; V190-V353 HydrophobicContact CG2-CG1 3.65Å; C351-V353 VanDerWaalsContact SG-CG2 3.52Å; C351-V353 PolarHBondContact SG-O 2.87Å | ||
| 354 | K | 95.1 | Very high | 90.7 | Very high | 156 Ų | 156 | 78.5 Ų | 78.5 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | trans | -139.3 | 162.4 | 171.3 | 61.9 | 176.2 | -178.9 | 176 | 0 | 109.5 | Q148 V356 | Q148-K354 WeakPolarHBondContact CB-O 3.5Å; Q148-K354 WeakPolarHBondContact CG-O 3.42Å; Q148-K354 PolarHBondContact NE2-O 3.32Å; K354-V356 PolarHBondContact O-N 3.16Å | ||
| 355 | G | 92.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 78.8 Ų | 78.8 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | trans | -52.8 | 133 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q148 | Q148-G355 WeakPolarHBondContact O-CA 3.29Š| ||
| 356 | V | 94.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | trans | -103.7 | 112.3 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 108.6 | Q148 K354 | Q148-V356 HydrophobicContact CB-CB 4.06Å; Q148-V356 HydrophobicContact CB-CG2 3.72Å; Q148-V356 HydrophobicContact CG-CG2 4.42Å; Q148-V356 PolarHBondContact O-N 3.1Å; Q148-V356 VanDerWaalsContact O-N 3.12Å; K354-V356 PolarHBondContact O-N 3.16Å | ||
| 357 | P | 93.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | trans | -68.4 | 157.2 | 178.4 | 29.3 | -35.1 | 0 | 0 | 0 | 112.3 | W152 | W152-P357 VanDerWaalsContact CD2-CA 3.49Å; W152-P357 HydrophobicContact CD2-CB 4.08Å; W152-P357 HydrophobicContact CG-CB 4.44Å; W152-P357 HydrophobicContact CH2-CB 4.42Å; W152-P357 HydrophobicContact CZ2-CB 3.72Å | ||
| 358 | F | 92.8 | Very high | 90 | Very high | 23 Ų | 23 | 69.3 Ų | 69.3 | 10% | 0.101 | 37% | 0.373 | C | S | . | . | trans | -115.3 | 143.4 | 151.4 | 80 | -90.3 | 0 | 0 | 0 | 108 | K69 Y72 M118 I121 W152 H360 V365 | K69-F358 HydrophobicContact CB-CD2 4.4Å; K69-F358 HydrophobicContact CB-CE2 3.92Å; K69-F358 HydrophobicContact CB-CZ 4.14Å; K69-F358 HydrophobicContact CD-CB 4.42Å; K69-F358 HydrophobicContact CD-CD1 3.95Å; K69-F358 HydrophobicContact CD-CD2 3.92Å; K69-F358 HydrophobicContact CD-CE1 4.17Å; K69-F358 HydrophobicContact CD-CE2 4.14Å; K69-F358 HydrophobicContact CD-CG 3.84Å; K69-F358 HydrophobicContact CD-CZ 4.27Å; K69-F358 HydrophobicContact CG-CD1 4.29Å; K69-F358 HydrophobicContact CG-CD2 4.24Å; K69-F358 HydrophobicContact CG-CE1 3.98Å; K69-F358 HydrophobicContact CG-CE2 3.94Å; K69-F358 HydrophobicContact CG-CG 4.43Å; K69-F358 HydrophobicContact CG-CZ 3.8Å; Y72-F358 HydrophobicContact CD1-CZ 4.17Å; M118-F358 HydrophobicContact CE-CE1 4.32Å; M118-F358 HydrophobicContact CE-CZ 4.43Å; M118-F358 HydrophobicContact SD-CE1 4.36Å; I121-F358 HydrophobicContact CD1-CE1 4.11Å; I121-F358 HydrophobicContact CD1-CZ 3.94Å; I121-F358 HydrophobicContact CG2-CE1 4.07Å; W152-F358 HydrophobicContact CE3-CD1 4.27Å; W152-F358 HydrophobicContact CH2-CD1 4.13Å; W152-F358 HydrophobicContact CH2-CE1 4.31Å; W152-F358 WeakPolarHBondContact CH2-O 3.44Å; W152-F358 AromaticContact CZ3-CD1 3.45Å; W152-F358 HydrophobicContact CZ3-CD1 3.45Å; W152-F358 VanDerWaalsContact CZ3-CD1 3.45Å; W152-F358 AromaticContact CZ3-CE1 3.65Å; W152-F358 HydrophobicContact CZ3-CE1 3.65Å; W152-F358 HydrophobicContact CZ3-CG 4.34Å; F358-H360 HydrophobicContact CE2-CB 4.11Å; F358-V365 HydrophobicContact CD2-CG1 3.9Å; F358-V365 HydrophobicContact CE2-CG1 3.99Å | ||
| 359 | D | 85.6 | Confident | 89.8 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | trans | -84.4 | 133.9 | 169.6 | -167.7 | 0.4 | 0 | 0 | 0 | 109.4 | N361 D362 | D359-N361 VanDerWaalsContact C-N 3.33Å; D359-N361 WeakPolarHBondContact OD1-CB 3.45Å; D359-N361 PolarHBondContact OD1-N 3.2Å; D359-D362 HydrophobicContact CB-CB 4.26Å | ||
| 360 | H | 86.4 | Confident | 89.7 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -86.9 | -9.2 | 174.2 | 51.6 | -82.1 | 0 | 0 | 0 | 111.9 | Y72 A73 F358 R366 | Y72-H360 HydrophobicContact CD1-CB 4.14Å; Y72-H360 HydrophobicContact CE1-CB 4.23Å; A73-H360 HydrophobicContact CB-CB 4.01Å; A73-H360 VanDerWaalsContact CB-O 3.3Å; A73-H360 WeakPolarHBondContact CB-O 3.43Å; F358-H360 HydrophobicContact CE2-CB 4.11Å; H360-R366 WeakPolarHBondContact O-CB 3.43Å |
| 361 | N | 81.1 | Confident | 89.5 | Confident | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -91.1 | -13.3 | 175.5 | -57.8 | -30.4 | 0 | 0 | 0 | 112.6 | D359 I363 I606 | D359-N361 VanDerWaalsContact C-N 3.33Å; D359-N361 WeakPolarHBondContact OD1-CB 3.45Å; D359-N361 PolarHBondContact OD1-N 3.2Å; N361-I363 PolarHBondContact O-N 2.96Å; N361-I606 WeakPolarHBondContact OD1-CD1 3.03Å; N361-I606 WeakPolarHBondContact OD1-CG2 3.41Å |
| 362 | D | 84 | Confident | 89.3 | Confident | 68 Ų | 68 | 62 Ų | 62 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -55.4 | 128.9 | 170.8 | -177.2 | -7.4 | 0 | 0 | 0 | 110.5 | D359 E364 V365 R366 | D359-D362 HydrophobicContact CB-CB 4.26Å; D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 3.48Å; D362-E364 PolarHBondContact OD1-N 2.9Å; D362-V365 HydrophobicContact CB-CB 4.12Å; D362-V365 HydrophobicContact CB-CG2 3.91Å; D362-V365 PolarHBondContact O-N 3.41Å; D362-R366 WeakPolarHBondContact O-CB 3.41Å; D362-R366 PolarHBondContact O-N 3.46Å | ||
| 363 | I | 80.5 | Confident | 89 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 65% | 0.646 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.1 | -33.8 | -178.4 | -63.8 | 172.4 | 0 | 0 | 0 | 110.8 | N361 V365 G367 | N361-I363 PolarHBondContact O-N 2.96Å; I363-V365 VanDerWaalsContact C-N 3.32Å; I363-G367 VanDerWaalsContact O-CA 3.25Å; I363-G367 WeakPolarHBondContact O-CA 3.45Å; I363-G367 PolarHBondContact O-N 3.19Å |
| 364 | E | 84.2 | Confident | 88.7 | Confident | 183 Ų | 183 | 61.6 Ų | 61.6 | 86% | 0.855 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.5 | -31.6 | 176.3 | -63.5 | -162.7 | 171.6 | 0 | 0 | 112 | D362 | D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 3.48Å; D362-E364 PolarHBondContact OD1-N 2.9Å |
| 365 | V | 89.2 | Confident | 88.3 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.3 | -49.6 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | K69 R70 F358 D362 I363 | K69-V365 HydrophobicContact CB-CG1 3.72Å; R70-V365 WeakPolarHBondContact CA-O 3.44Å; R70-V365 WeakPolarHBondContact CB-O 3.43Å; F358-V365 HydrophobicContact CD2-CG1 3.9Å; F358-V365 HydrophobicContact CE2-CG1 3.99Å; D362-V365 HydrophobicContact CB-CB 4.12Å; D362-V365 HydrophobicContact CB-CG2 3.91Å; D362-V365 PolarHBondContact O-N 3.41Å; I363-V365 VanDerWaalsContact C-N 3.32Å |
| 366 | R | 86.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -79.3 | -27 | -175.6 | 91.1 | -168.4 | -163.6 | 159.4 | 8.9 | 112.7 | R70 A73 Q74 H360 D362 S602 | R70-R366 WeakPolarHBondContact CG-O 3.18Å; R70-R366 PolarHBondContact NE-O 3.1Å; A73-R366 HydrophobicContact CB-CB 3.58Å; Q74-R366 PolarHBondContact NE2-O 2.95Å; H360-R366 WeakPolarHBondContact O-CB 3.43Å; D362-R366 WeakPolarHBondContact O-CB 3.41Å; D362-R366 PolarHBondContact O-N 3.46Å; R366-S602 PolarHBondContact NH2-OG 2.85Å |
| 367 | G | 87.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | 64 | -160.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I363 | I363-G367 VanDerWaalsContact O-CA 3.25Å; I363-G367 WeakPolarHBondContact O-CA 3.45Å; I363-G367 PolarHBondContact O-N 3.19Å | ||
| 368 | P | 88.4 | Confident | 86.8 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -63.1 | 136.6 | 165.9 | 25.5 | -33.7 | 0 | 0 | 0 | 110.6 | R70 Q74 I370 | R70-P368 PolarHBondContact NH2-O 2.81Å; Q74-P368 PolarHBondContact NE2-O 3.47Å; P368-I370 PolarHBondContact O-N 2.93Å |
| 369 | D | 89.2 | Confident | 86.5 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | trans | -64.9 | 124.4 | 171.9 | 176.9 | 2.9 | 0 | 0 | 0 | 109.9 | L77 R81 F371 H372 | L77-D369 HydrophobicContact CD1-CB 3.93Å; R81-D369 IonicContact CZ-OD2 3.08Å; R81-D369 IonicContact NE-OD2 2.79Å; R81-D369 IonicContact NH2-OD2 2.71Å; R81-D369 PolarHBondContact NH2-OD2 3.47Å; D369-F371 VanDerWaalsContact C-N 3.32Å; D369-F371 PolarHBondContact O-N 3.44Å; D369-F371 PolarHBondContact OD1-N 3.07Å; D369-H372 HydrophobicContact CB-CB 4.17Å; D369-H372 PolarHBondContact O-ND1 2.75Å | ||
| 370 | I | 93.5 | Very high | 86.5 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -43.5 | 178.5 | -67.6 | 167.9 | 0 | 0 | 0 | 109.9 | E44 F48 L51 Q74 P368 | E44-I370 HydrophobicContact CB-CG2 3.84Å; E44-I370 HydrophobicContact CG-CG2 4.21Å; E44-I370 WeakPolarHBondContact CG-O 3.44Å; E44-I370 VanDerWaalsContact O-CG2 3.28Å; E44-I370 WeakPolarHBondContact O-CG2 3.39Å; F48-I370 HydrophobicContact CB-CD1 4.38Å; F48-I370 HydrophobicContact CB-CG2 4.43Å; L51-I370 HydrophobicContact CD2-CD1 3.94Å; Q74-I370 HydrophobicContact CG-CD1 4.14Å; Q74-I370 VanDerWaalsContact OE1-CG1 3.26Å; P368-I370 PolarHBondContact O-N 2.93Å |
| 371 | F | 91.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 23.7 | -174.2 | -65.1 | -83.5 | 0 | 0 | 0 | 113.7 | E44 F45 F48 L78 R81 D369 R373 L374 | E44-F371 HydrophobicContact CB-CD1 3.79Å; E44-F371 HydrophobicContact CB-CE1 3.64Å; E44-F371 HydrophobicContact CB-CZ 4.26Å; E44-F371 HydrophobicContact CG-CD1 4.45Å; F45-F371 HydrophobicContact CD1-CE1 4.01Å; F45-F371 AromaticContact CD1-CZ 3.97Å; F45-F371 HydrophobicContact CD1-CZ 3.97Å; F45-F371 HydrophobicContact CE1-CE1 4.02Å; F45-F371 HydrophobicContact CE1-CZ 4.22Å; F45-F371 HydrophobicContact CG-CE1 4.36Å; F45-F371 HydrophobicContact CZ-CE1 4.37Å; F48-F371 HydrophobicContact CB-CE2 3.8Å; F48-F371 HydrophobicContact CB-CZ 3.97Å; F48-F371 AromaticContact CD2-CE2 3.92Å; F48-F371 HydrophobicContact CD2-CE2 3.92Å; F48-F371 AromaticContact CG-CE2 3.96Å; F48-F371 HydrophobicContact CG-CE2 3.96Å; F48-F371 HydrophobicContact CG-CZ 4.35Å; L78-F371 HydrophobicContact CD1-CD2 3.87Å; L78-F371 HydrophobicContact CD1-CE2 3.72Å; L78-F371 HydrophobicContact CD1-CG 4.45Å; L78-F371 HydrophobicContact CD1-CZ 4.18Å; R81-F371 VanDerWaalsContact CZ-O 3.27Å; R81-F371 PolarHBondContact NE-O 3.01Å; D369-F371 VanDerWaalsContact C-N 3.32Å; D369-F371 PolarHBondContact O-N 3.44Å; D369-F371 PolarHBondContact OD1-N 3.07Å; F371-R373 PolarHBondContact O-N 3.4Å; F371-L374 PolarHBondContact O-N 3.38Å |
| 372 | H | 88.5 | Confident | 86.9 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -30.5 | -179.3 | 65.9 | -83.2 | 0 | 0 | 0 | 114.3 | D369 L374 I375 | D369-H372 HydrophobicContact CB-CB 4.17Å; D369-H372 PolarHBondContact O-ND1 2.75Å; H372-L374 VanDerWaalsContact C-N 3.3Å; H372-L374 PolarHBondContact O-N 2.86Å; H372-I375 WeakPolarHBondContact O-CG1 3.12Å |
| 373 | R | 88.7 | Confident | 87.1 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -11.7 | 178.1 | -59.1 | -163.8 | -66.5 | 135.2 | -5 | 114.9 | L40 F41 E44 F371 | L40-R373 PolarHBondContact O-NH2 2.83Å; F41-R373 HydrophobicContact CE1-CB 3.88Å; E44-R373 IonicContact OE1-CZ 2.81Å; E44-R373 IonicContact OE1-NE 3.78Å; E44-R373 PolarHBondContact OE1-NE 3.45Å; E44-R373 IonicContact OE1-NH2 3.81Å; E44-R373 PolarHBondContact OE1-NH2 2.91Å; E44-R373 IonicContact OE2-NH2 2.7Å; E44-R373 PolarHBondContact OE2-NH2 3.3Å; E44-R373 VanDerWaalsContact OE2-NH2 3.07Å; F371-R373 PolarHBondContact O-N 3.4Å |
| 374 | L | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -107.1 | 69.3 | -173.4 | -173 | 73.1 | 0 | 0 | 0 | 111 | I30 Y34 F41 R81 F82 F371 H372 | I30-L374 HydrophobicContact CD1-CD1 4.14Å; I30-L374 HydrophobicContact CD1-CD2 3.83Å; I30-L374 HydrophobicContact CG1-CD1 4Å; I30-L374 HydrophobicContact CG1-CD2 3.91Å; I30-L374 HydrophobicContact CG2-CD1 3.97Å; Y34-L374 HydrophobicContact CD1-CD1 3.63Å; Y34-L374 HydrophobicContact CD1-CG 4.13Å; Y34-L374 HydrophobicContact CD2-CD1 4.09Å; Y34-L374 HydrophobicContact CE1-CD1 3.83Å; Y34-L374 HydrophobicContact CE1-CG 3.79Å; Y34-L374 HydrophobicContact CE2-CD1 4.27Å; Y34-L374 HydrophobicContact CE2-CD2 4.39Å; Y34-L374 HydrophobicContact CE2-CG 4.29Å; Y34-L374 HydrophobicContact CG-CD1 3.75Å; F41-L374 HydrophobicContact CD1-CB 4.41Å; F41-L374 HydrophobicContact CE1-CB 3.83Å; F41-L374 HydrophobicContact CE1-CD1 4.08Å; F41-L374 HydrophobicContact CE2-CD1 3.98Å; F41-L374 HydrophobicContact CZ-CB 4.25Å; F41-L374 HydrophobicContact CZ-CD1 3.68Å; R81-L374 WeakPolarHBondContact CD-O 3.47Å; R81-L374 VanDerWaalsContact NH1-C 3.34Å; R81-L374 PolarHBondContact NH1-O 2.9Å; F82-L374 HydrophobicContact CE1-CD2 4.33Å; F82-L374 HydrophobicContact CE2-CD2 3.68Å; F82-L374 HydrophobicContact CZ-CD2 3.4Å; F371-L374 PolarHBondContact O-N 3.38Å; H372-L374 VanDerWaalsContact C-N 3.3Å; H372-L374 PolarHBondContact O-N 2.86Å | ||
| 375 | I | 87 | Confident | 87.9 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | trans | -85.8 | 124.3 | -172.6 | -47.4 | 179.1 | 0 | 0 | 0 | 111 | H372 V379 L380 D601 | H372-I375 WeakPolarHBondContact O-CG1 3.12Å; I375-V379 HydrophobicContact CG2-CB 3.92Å; I375-V379 HydrophobicContact CG2-CG1 3.68Å; I375-L380 HydrophobicContact CB-CD2 3.99Å; I375-L380 HydrophobicContact CB-CG 4.13Å; I375-L380 HydrophobicContact CD1-CD2 4.14Å; I375-L380 HydrophobicContact CG2-CD2 3.7Å; I375-L380 HydrophobicContact CG2-CG 3.76Å; I375-D601 WeakPolarHBondContact CD1-OD2 3.49Å | ||
| 376 | P | 84.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | trans | -59.7 | 145.7 | 174.8 | -23.8 | 33.7 | 0 | 0 | 0 | 112.7 | R81 N378 V379 L380 L605 | R81-P376 HydrophobicContact CG-CG 4.38Å; P376-N378 VanDerWaalsContact C-N 3.33Å; P376-N378 WeakPolarHBondContact CB-OD1 3.21Å; P376-N378 PolarHBondContact O-N 3.49Å; P376-V379 HydrophobicContact CB-CB 4.35Å; P376-V379 HydrophobicContact CB-CG2 4.06Å; P376-V379 HydrophobicContact CG-CG2 4.1Å; P376-V379 WeakPolarHBondContact O-CB 3.3Å; P376-V379 PolarHBondContact O-N 2.89Å; P376-L380 PolarHBondContact O-N 3.46Å; P376-L380 VanDerWaalsContact O-N 3.08Å; P376-L605 HydrophobicContact CG-CD2 3.89Å | ||
| 377 | M | 81.3 | Confident | 88.4 | Confident | 123 Ų | 123 | 51 Ų | 51 | 61% | 0.606 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | -177.7 | -171.7 | 65.6 | -168.8 | 0 | 0 | 112.7 | V379 L380 E381 | M377-V379 PolarHBondContact O-N 3.2Å; M377-L380 PolarHBondContact O-N 3.05Å; M377-L380 VanDerWaalsContact O-N 3.14Å; M377-E381 HydrophobicContact CE-CG 4.09Å; M377-E381 WeakPolarHBondContact CE-OE1 3.32Å; M377-E381 WeakPolarHBondContact CG-OE1 3.45Å; M377-E381 WeakPolarHBondContact O-CG 3.17Å; M377-E381 PolarHBondContact O-N 3.34Å |
| 378 | N | 82.7 | Confident | 88.7 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -26.6 | 176.5 | 62.9 | -37.5 | 0 | 0 | 0 | 113.2 | P376 S382 | P376-N378 VanDerWaalsContact C-N 3.33Å; P376-N378 WeakPolarHBondContact CB-OD1 3.21Å; P376-N378 PolarHBondContact O-N 3.49Å; N378-S382 VanDerWaalsContact O-CB 3.25Å; N378-S382 WeakPolarHBondContact O-CB 3.35Å; N378-S382 PolarHBondContact O-N 2.96Å; N378-S382 VanDerWaalsContact O-N 3.09Å; N378-S382 PolarHBondContact O-OG 3.34Å |
| 379 | V | 86.2 | Confident | 89 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.9 | -42.5 | 172.2 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | I375 P376 M377 S382 A383 L604 L605 | I375-V379 HydrophobicContact CG2-CB 3.92Å; I375-V379 HydrophobicContact CG2-CG1 3.68Å; P376-V379 HydrophobicContact CB-CB 4.35Å; P376-V379 HydrophobicContact CB-CG2 4.06Å; P376-V379 HydrophobicContact CG-CG2 4.1Å; P376-V379 WeakPolarHBondContact O-CB 3.3Å; P376-V379 PolarHBondContact O-N 2.89Å; M377-V379 PolarHBondContact O-N 3.2Å; V379-S382 WeakPolarHBondContact O-CB 3.42Å; V379-S382 PolarHBondContact O-N 2.88Å; V379-A383 WeakPolarHBondContact O-CB 3.41Å; V379-A383 PolarHBondContact O-N 3.06Å; V379-L604 HydrophobicContact CG1-CB 3.89Å; V379-L604 HydrophobicContact CG1-CD1 4.21Å; V379-L604 HydrophobicContact CG2-CB 4.35Å; V379-L605 HydrophobicContact CG1-CG 4.48Å; V379-L605 HydrophobicContact CG2-CD2 4.03Å; V379-L605 HydrophobicContact CG2-CG 4.29Å |
| 380 | L | 85.7 | Confident | 89.3 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175.1 | -66.3 | 172.4 | 0 | 0 | 0 | 112.4 | I375 P376 M377 A383 S384 | I375-L380 HydrophobicContact CB-CD2 3.99Å; I375-L380 HydrophobicContact CB-CG 4.13Å; I375-L380 HydrophobicContact CD1-CD2 4.14Å; I375-L380 HydrophobicContact CG2-CD2 3.7Å; I375-L380 HydrophobicContact CG2-CG 3.76Å; P376-L380 PolarHBondContact O-N 3.46Å; P376-L380 VanDerWaalsContact O-N 3.08Å; M377-L380 PolarHBondContact O-N 3.05Å; M377-L380 VanDerWaalsContact O-N 3.14Å; L380-A383 PolarHBondContact O-N 2.69Å; L380-S384 WeakPolarHBondContact O-CB 3.38Å; L380-S384 PolarHBondContact O-N 2.63Å |
| 381 | E | 86.8 | Confident | 89.3 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 173.6 | -71.6 | 165.8 | 178.6 | 0 | 0 | 111 | M377 S384 I385 | M377-E381 HydrophobicContact CE-CG 4.09Å; M377-E381 WeakPolarHBondContact CE-OE1 3.32Å; M377-E381 WeakPolarHBondContact CG-OE1 3.45Å; M377-E381 WeakPolarHBondContact O-CG 3.17Å; M377-E381 PolarHBondContact O-N 3.34Å; E381-S384 WeakPolarHBondContact O-CB 3.41Å; E381-S384 PolarHBondContact O-N 2.8Å; E381-I385 WeakPolarHBondContact O-CG1 3.35Å; E381-I385 PolarHBondContact O-N 2.64Å; E381-I385 VanDerWaalsContact O-N 3.08Å |
| 382 | S | 88.8 | Confident | 89.5 | Confident | 21 Ų | 21 | 56 Ų | 56 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | N378 V379 S384 I385 Y386 L615 F619 | N378-S382 VanDerWaalsContact O-CB 3.25Å; N378-S382 WeakPolarHBondContact O-CB 3.35Å; N378-S382 PolarHBondContact O-N 2.96Å; N378-S382 VanDerWaalsContact O-N 3.09Å; N378-S382 PolarHBondContact O-OG 3.34Å; V379-S382 WeakPolarHBondContact O-CB 3.42Å; V379-S382 PolarHBondContact O-N 2.88Å; S382-S384 VanDerWaalsContact C-N 3.3Å; S382-S384 PolarHBondContact O-N 3.25Å; S382-I385 PolarHBondContact O-N 2.99Å; S382-Y386 PolarHBondContact O-N 2.97Å; S382-L615 VanDerWaalsContact OG-CD2 3.26Å; S382-L615 WeakPolarHBondContact OG-CD2 3.21Å; S382-F619 WeakPolarHBondContact O-CZ 3.46Å |
| 383 | A | 89.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.1 | -28.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V379 L380 S387 V600 D601 L604 | V379-A383 WeakPolarHBondContact O-CB 3.41Å; V379-A383 PolarHBondContact O-N 3.06Å; L380-A383 PolarHBondContact O-N 2.69Å; A383-S387 VanDerWaalsContact O-CB 3.29Å; A383-S387 WeakPolarHBondContact O-CB 3.47Å; A383-S387 PolarHBondContact O-N 3.12Å; A383-S387 PolarHBondContact O-OG 2.96Å; A383-V600 HydrophobicContact CB-CG2 4.25Å; A383-D601 WeakPolarHBondContact CB-OD1 3.5Å; A383-L604 HydrophobicContact CB-CD1 4.08Å |
| 384 | S | 89.8 | Confident | 90.1 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 56% | 0.559 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 170.4 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | L380 E381 S382 Y386 S387 E388 | L380-S384 WeakPolarHBondContact O-CB 3.38Å; L380-S384 PolarHBondContact O-N 2.63Å; E381-S384 WeakPolarHBondContact O-CB 3.41Å; E381-S384 PolarHBondContact O-N 2.8Å; S382-S384 VanDerWaalsContact C-N 3.3Å; S382-S384 PolarHBondContact O-N 3.25Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; S384-Y386 PolarHBondContact O-N 2.82Å; S384-S387 PolarHBondContact O-N 3.06Å; S384-S387 VanDerWaalsContact O-N 3.15Å; S384-E388 PolarHBondContact O-N 3.25Å |
| 385 | I | 90.5 | Very high | 90.5 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 41% | 0.41 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57 | -48.3 | 173.9 | -65.8 | 164.1 | 0 | 0 | 0 | 110.3 | E381 S382 S387 E388 M389 F619 | E381-I385 WeakPolarHBondContact O-CG1 3.35Å; E381-I385 PolarHBondContact O-N 2.64Å; E381-I385 VanDerWaalsContact O-N 3.08Å; S382-I385 PolarHBondContact O-N 2.99Å; I385-S387 VanDerWaalsContact C-N 3.31Å; I385-S387 PolarHBondContact O-N 3.26Å; I385-E388 PolarHBondContact O-N 3.32Å; I385-M389 HydrophobicContact CG2-SD 4.42Å; I385-M389 WeakPolarHBondContact O-CG 3.22Å; I385-M389 PolarHBondContact O-N 3.24Å; I385-F619 HydrophobicContact CB-CE2 4.15Å; I385-F619 HydrophobicContact CG2-CD2 4.11Å; I385-F619 HydrophobicContact CG2-CE2 3.84Å |
| 386 | Y | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 177.2 | -172.4 | -114.5 | 0 | 0 | 0 | 113.1 | S382 S384 E388 M389 K390 D598 V600 F619 R622 L623 | S382-Y386 PolarHBondContact O-N 2.97Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; S384-Y386 PolarHBondContact O-N 2.82Å; Y386-E388 VanDerWaalsContact C-N 3.33Å; Y386-E388 PolarHBondContact O-N 3.48Å; Y386-M389 PolarHBondContact O-N 3.18Å; Y386-K390 HydrophobicContact CD1-CD 3.99Å; Y386-K390 HydrophobicContact CD1-CG 4.25Å; Y386-K390 HydrophobicContact CE1-CD 3.49Å; Y386-K390 VanDerWaalsContact CE1-CD 3.49Å; Y386-K390 HydrophobicContact CE1-CG 3.88Å; Y386-K390 WeakPolarHBondContact O-CG 3.49Å; Y386-K390 PolarHBondContact O-N 3.33Å; Y386-D598 PolarHBondContact OH-OD2 3.12Å; Y386-V600 HydrophobicContact CD1-CB 4.09Å; Y386-V600 HydrophobicContact CD1-CG1 3.49Å; Y386-V600 VanDerWaalsContact CD1-CG1 3.49Å; Y386-V600 HydrophobicContact CD1-CG2 3.41Å; Y386-V600 VanDerWaalsContact CD1-CG2 3.41Å; Y386-V600 HydrophobicContact CE1-CB 4.38Å; Y386-V600 HydrophobicContact CE1-CG1 3.33Å; Y386-V600 HydrophobicContact CE1-CG2 4.16Å; Y386-V600 HydrophobicContact CE2-CG1 4.42Å; Y386-V600 HydrophobicContact CG-CG1 4.11Å; Y386-V600 HydrophobicContact CG-CG2 3.83Å; Y386-F619 HydrophobicContact CD2-CB 3.75Å; Y386-F619 AromaticContact CD2-CD1 3.25Å; Y386-F619 HydrophobicContact CD2-CD1 3.25Å; Y386-F619 HydrophobicContact CD2-CD2 4.44Å; Y386-F619 AromaticContact CD2-CE1 3.93Å; Y386-F619 HydrophobicContact CD2-CE1 3.93Å; Y386-F619 AromaticContact CD2-CG 3.59Å; Y386-F619 HydrophobicContact CD2-CG 3.59Å; Y386-F619 HydrophobicContact CE2-CB 4.15Å; Y386-F619 AromaticContact CE2-CD1 4Å; Y386-F619 HydrophobicContact CE2-CD1 4Å; Y386-F619 HydrophobicContact CE2-CG 4.37Å; Y386-F619 AromaticContact CG-CD1 3.86Å; Y386-F619 HydrophobicContact CG-CD1 3.86Å; Y386-F619 HydrophobicContact CG-CE1 4.06Å; Y386-F619 HydrophobicContact CG-CG 4.4Å; Y386-R622 HydrophobicContact CE2-CB 4.3Å; Y386-R622 HydrophobicContact CE2-CG 4.29Å; Y386-L623 HydrophobicContact CE2-CD1 4.38Å; Y386-L623 HydrophobicContact CE2-CD2 3.91Å; Y386-L623 HydrophobicContact CE2-CG 3.81Å; Y386-L623 WeakPolarHBondContact OH-CD2 3.25Å |
| 387 | S | 93.3 | Very high | 91.4 | Very high | 61 Ų | 61 | 57 Ų | 57 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 179 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | A383 S384 I385 K390 A391 | A383-S387 VanDerWaalsContact O-CB 3.29Å; A383-S387 WeakPolarHBondContact O-CB 3.47Å; A383-S387 PolarHBondContact O-N 3.12Å; A383-S387 PolarHBondContact O-OG 2.96Å; S384-S387 PolarHBondContact O-N 3.06Å; S384-S387 VanDerWaalsContact O-N 3.15Å; I385-S387 VanDerWaalsContact C-N 3.31Å; I385-S387 PolarHBondContact O-N 3.26Å; S387-K390 PolarHBondContact O-N 2.76Å; S387-A391 WeakPolarHBondContact O-CB 3.38Å; S387-A391 PolarHBondContact O-N 2.8Å |
| 388 | E | 93.9 | Very high | 92.1 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.4 | -33.9 | 172.9 | -175.7 | 53.3 | -155 | 0 | 0 | 112.1 | S384 I385 Y386 K390 A391 S392 R395 | S384-E388 PolarHBondContact O-N 3.25Å; I385-E388 PolarHBondContact O-N 3.32Å; Y386-E388 VanDerWaalsContact C-N 3.33Å; Y386-E388 PolarHBondContact O-N 3.48Å; E388-K390 PolarHBondContact O-N 2.75Å; E388-A391 PolarHBondContact O-N 2.77Å; E388-S392 VanDerWaalsContact O-CB 3.31Å; E388-S392 WeakPolarHBondContact O-CB 3.16Å; E388-S392 PolarHBondContact O-N 3.38Å; E388-R395 IonicContact OE1-CZ 3.25Å; E388-R395 IonicContact OE1-NH1 2.76Å; E388-R395 PolarHBondContact OE1-NH1 3.38Å; E388-R395 IonicContact OE1-NH2 3.82Å; E388-R395 PolarHBondContact OE1-NH2 2.68Å; E388-R395 VanDerWaalsContact OE1-NH2 3.13Å; E388-R395 IonicContact OE2-CZ 2.98Å; E388-R395 IonicContact OE2-NH1 3.55Å; E388-R395 IonicContact OE2-NH2 3.66Å; E388-R395 PolarHBondContact OE2-NH2 3.23Å |
| 389 | M | 94.2 | Very high | 92.7 | Very high | 45 Ų | 45 | 50 Ų | 50 | 22% | 0.222 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 170.3 | -66.5 | 178.7 | 72.7 | 0 | 0 | 112 | I385 Y386 S392 L393 F619 E620 L623 | I385-M389 HydrophobicContact CG2-SD 4.42Å; I385-M389 WeakPolarHBondContact O-CG 3.22Å; I385-M389 PolarHBondContact O-N 3.24Å; Y386-M389 PolarHBondContact O-N 3.18Å; M389-S392 PolarHBondContact O-N 3.19Å; M389-L393 PolarHBondContact O-N 3.15Å; M389-F619 HydrophobicContact CE-CB 3.8Å; M389-F619 HydrophobicContact SD-CB 3.52Å; M389-F619 VanDerWaalsContact SD-CB 3.52Å; M389-F619 HydrophobicContact SD-CD2 3.78Å; M389-F619 HydrophobicContact SD-CG 4.05Å; M389-E620 HydrophobicContact CE-CG 3.86Å; M389-L623 HydrophobicContact CB-CD1 3.92Å; M389-L623 HydrophobicContact CE-CD1 4.27Å |
| 390 | K | 95.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 171.7 | -73.2 | -169.4 | -62.9 | 175.9 | 0 | 112.4 | Y386 S387 E388 L394 L595 D598 L623 | Y386-K390 HydrophobicContact CD1-CD 3.99Å; Y386-K390 HydrophobicContact CD1-CG 4.25Å; Y386-K390 HydrophobicContact CE1-CD 3.49Å; Y386-K390 VanDerWaalsContact CE1-CD 3.49Å; Y386-K390 HydrophobicContact CE1-CG 3.88Å; Y386-K390 WeakPolarHBondContact O-CG 3.49Å; Y386-K390 PolarHBondContact O-N 3.33Å; S387-K390 PolarHBondContact O-N 2.76Å; E388-K390 PolarHBondContact O-N 2.75Å; K390-L394 PolarHBondContact O-N 3.06Å; K390-L595 HydrophobicContact CB-CD2 4.15Å; K390-L595 HydrophobicContact CD-CB 4.4Å; K390-L595 HydrophobicContact CD-CD2 4.15Å; K390-L595 VanDerWaalsContact CD-O 3.27Å; K390-L595 WeakPolarHBondContact CD-O 3.46Å; K390-L595 WeakPolarHBondContact CE-O 3.42Å; K390-L595 HydrophobicContact CG-CD2 3.88Å; K390-L595 PolarHBondContact NZ-O 3.38Å; K390-D598 HydrophobicContact CD-CB 4.24Å; K390-D598 PolarHBondContact NZ-O 2.83Å; K390-L623 HydrophobicContact CG-CD2 3.66Å |
| 391 | A | 93.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S387 E388 L394 R395 | S387-A391 WeakPolarHBondContact O-CB 3.38Å; S387-A391 PolarHBondContact O-N 2.8Å; E388-A391 PolarHBondContact O-N 2.77Å; A391-L394 PolarHBondContact O-N 3.19Å; A391-R395 VanDerWaalsContact O-CG 3.3Å; A391-R395 WeakPolarHBondContact O-CG 3.37Å; A391-R395 PolarHBondContact O-N 3.24Å |
| 392 | S | 95.2 | Very high | 94.2 | Very high | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 176 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | E388 M389 L394 R395 T396 | E388-S392 VanDerWaalsContact O-CB 3.31Å; E388-S392 WeakPolarHBondContact O-CB 3.16Å; E388-S392 PolarHBondContact O-N 3.38Å; M389-S392 PolarHBondContact O-N 3.19Å; S392-L394 VanDerWaalsContact C-N 3.3Å; S392-L394 PolarHBondContact O-N 2.86Å; S392-R395 PolarHBondContact O-N 2.99Å; S392-R395 VanDerWaalsContact O-N 3.14Å; S392-T396 PolarHBondContact O-N 3.2Å; S392-T396 PolarHBondContact O-OG1 3.38Å |
| 393 | L | 95.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55 | -44.2 | 176.4 | 178.1 | 61.5 | 0 | 0 | 0 | 112.4 | M389 L397 L595 L623 | M389-L393 PolarHBondContact O-N 3.15Å; L393-L397 HydrophobicContact CD1-CD1 3.68Å; L393-L397 HydrophobicContact CD1-CG 4.34Å; L393-L397 HydrophobicContact CG-CD1 4.08Å; L393-L397 WeakPolarHBondContact O-CG 3.19Å; L393-L397 PolarHBondContact O-N 3.42Å; L393-L397 VanDerWaalsContact O-N 3.13Å; L393-L595 HydrophobicContact CD2-CD2 4.3Å; L393-L623 HydrophobicContact CD2-CD2 4.35Å |
| 394 | L | 96.2 | Very high | 94.8 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 178.2 | -176 | 62.4 | 0 | 0 | 0 | 112.3 | K390 A391 S392 T398 L591 R592 L595 | K390-L394 PolarHBondContact O-N 3.06Å; A391-L394 PolarHBondContact O-N 3.19Å; S392-L394 VanDerWaalsContact C-N 3.3Å; S392-L394 PolarHBondContact O-N 2.86Å; L394-T398 WeakPolarHBondContact O-CB 3.43Å; L394-T398 PolarHBondContact O-N 3.41Å; L394-T398 PolarHBondContact O-OG1 3.45Å; L394-L591 HydrophobicContact CD1-CD2 4.4Å; L394-L591 HydrophobicContact CD1-CG 4.46Å; L394-R592 HydrophobicContact CD1-CB 4.15Å; L394-R592 HydrophobicContact CD2-CB 4.1Å; L394-R592 HydrophobicContact CD2-CG 4Å; L394-L595 HydrophobicContact CB-CD1 3.97Å; L394-L595 HydrophobicContact CD1-CD1 4.44Å |
| 395 | R | 96.7 | Very high | 95 | Very high | 144 Ų | 144 | 51.4 Ų | 51.4 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.2 | -71.7 | -179.5 | -148.9 | 120.7 | -1.8 | 111 | E388 A391 S392 T398 G399 | E388-R395 IonicContact OE1-CZ 3.25Å; E388-R395 IonicContact OE1-NH1 2.76Å; E388-R395 PolarHBondContact OE1-NH1 3.38Å; E388-R395 IonicContact OE1-NH2 3.82Å; E388-R395 PolarHBondContact OE1-NH2 2.68Å; E388-R395 VanDerWaalsContact OE1-NH2 3.13Å; E388-R395 IonicContact OE2-CZ 2.98Å; E388-R395 IonicContact OE2-NH1 3.55Å; E388-R395 IonicContact OE2-NH2 3.66Å; E388-R395 PolarHBondContact OE2-NH2 3.23Å; A391-R395 VanDerWaalsContact O-CG 3.3Å; A391-R395 WeakPolarHBondContact O-CG 3.37Å; A391-R395 PolarHBondContact O-N 3.24Å; S392-R395 PolarHBondContact O-N 2.99Å; S392-R395 VanDerWaalsContact O-N 3.14Å; R395-T398 PolarHBondContact O-N 3Å; R395-G399 PolarHBondContact O-N 2.65Å |
| 396 | T | 95.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59 | -50 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | S392 T398 G399 E400 | S392-T396 PolarHBondContact O-N 3.2Å; S392-T396 PolarHBondContact O-OG1 3.38Å; T396-T398 PolarHBondContact O-N 3.09Å; T396-G399 PolarHBondContact O-N 3.15Å; T396-E400 PolarHBondContact O-N 3.46Å |
| 397 | L | 94.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.9 | -30.5 | -177.8 | -68.9 | 167.3 | 0 | 0 | 0 | 113.4 | L393 V401 I588 L591 V631 | L393-L397 HydrophobicContact CD1-CD1 3.68Å; L393-L397 HydrophobicContact CD1-CG 4.34Å; L393-L397 HydrophobicContact CG-CD1 4.08Å; L393-L397 WeakPolarHBondContact O-CG 3.19Å; L393-L397 PolarHBondContact O-N 3.42Å; L393-L397 VanDerWaalsContact O-N 3.13Å; L397-V401 VanDerWaalsContact O-CG2 3.32Å; L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 2.94Å; L397-V401 VanDerWaalsContact O-N 3.13Å; L397-I588 HydrophobicContact CB-CD1 4.44Å; L397-L591 HydrophobicContact CD1-CD2 3.64Å; L397-V631 HydrophobicContact CD1-CB 4.23Å; L397-V631 HydrophobicContact CD1-CG1 3.85Å; L397-V631 HydrophobicContact CD1-CG2 3.66Å; L397-V631 HydrophobicContact CD2-CG1 3.95Å |
| 398 | T | 96.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 170.8 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | L394 R395 T396 E400 V401 D402 | L394-T398 WeakPolarHBondContact O-CB 3.43Å; L394-T398 PolarHBondContact O-N 3.41Å; L394-T398 PolarHBondContact O-OG1 3.45Å; R395-T398 PolarHBondContact O-N 3Å; T396-T398 PolarHBondContact O-N 3.09Å; T398-E400 PolarHBondContact O-N 3.37Å; T398-V401 WeakPolarHBondContact O-CB 3.5Å; T398-V401 PolarHBondContact O-N 2.89Å; T398-V401 VanDerWaalsContact O-N 3.12Å; T398-D402 PolarHBondContact O-N 2.94Å |
| 399 | G | 95.9 | Very high | 95 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R395 T396 V401 T403 | R395-G399 PolarHBondContact O-N 2.65Å; T396-G399 PolarHBondContact O-N 3.15Å; G399-V401 VanDerWaalsContact C-N 3.32Å; G399-T403 WeakPolarHBondContact O-CB 3.3Å; G399-T403 PolarHBondContact O-N 3.2Å; G399-T403 PolarHBondContact O-OG1 3.15Å |
| 400 | E | 97 | Very high | 94.8 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 171.2 | -75.4 | -178.4 | -144.2 | 0 | 0 | 111.5 | T396 T398 K404 K635 L638 | T396-E400 PolarHBondContact O-N 3.46Å; T398-E400 PolarHBondContact O-N 3.37Å; E400-K404 PolarHBondContact O-N 3.39Å; E400-K635 IonicContact OE1-NZ 2.64Å; E400-K635 PolarHBondContact OE1-NZ 3.33Å; E400-K635 IonicContact OE2-NZ 2.63Å; E400-K635 PolarHBondContact OE2-NZ 3.44Å; E400-L638 HydrophobicContact CB-CD1 3.84Å |
| 401 | V | 97 | Very high | 94.6 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -53 | 175.3 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | L397 T398 G399 T403 K404 E405 R584 I588 I634 L638 | L397-V401 VanDerWaalsContact O-CG2 3.32Å; L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 2.94Å; L397-V401 VanDerWaalsContact O-N 3.13Å; T398-V401 WeakPolarHBondContact O-CB 3.5Å; T398-V401 PolarHBondContact O-N 2.89Å; T398-V401 VanDerWaalsContact O-N 3.12Å; G399-V401 VanDerWaalsContact C-N 3.32Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 3.14Å; V401-K404 PolarHBondContact O-N 3.26Å; V401-K404 VanDerWaalsContact O-N 3.14Å; V401-E405 WeakPolarHBondContact O-CB 3.01Å; V401-E405 PolarHBondContact O-N 2.88Å; V401-R584 HydrophobicContact CG1-CB 4.08Å; V401-R584 HydrophobicContact CG1-CG 4.33Å; V401-I588 HydrophobicContact CG2-CD1 4.06Å; V401-I588 HydrophobicContact CG2-CG1 4.08Å; V401-I634 HydrophobicContact CG2-CG2 3.87Å; V401-L638 HydrophobicContact CG2-CD1 4.48Å; V401-L638 HydrophobicContact CG2-CD2 3.98Å |
| 402 | D | 95.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.7 | -44.1 | -178.2 | -63.5 | -20.3 | 0 | 0 | 0 | 110.6 | T398 K404 E405 D406 | T398-D402 PolarHBondContact O-N 2.94Å; D402-K404 PolarHBondContact O-N 2.96Å; D402-E405 WeakPolarHBondContact O-CB 3.45Å; D402-E405 PolarHBondContact O-N 3.22Å; D402-D406 WeakPolarHBondContact O-CB 3.49Å; D402-D406 PolarHBondContact O-N 3.03Å |
| 403 | T | 95.8 | Very high | 93.7 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | G399 V401 E405 D406 E407 | G399-T403 WeakPolarHBondContact O-CB 3.3Å; G399-T403 PolarHBondContact O-N 3.2Å; G399-T403 PolarHBondContact O-OG1 3.15Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 3.14Å; T403-E405 VanDerWaalsContact C-N 3.3Å; T403-E405 PolarHBondContact O-N 2.97Å; T403-D406 WeakPolarHBondContact O-CB 3.34Å; T403-D406 PolarHBondContact O-N 2.97Å; T403-E407 WeakPolarHBondContact O-CG 3.49Å; T403-E407 PolarHBondContact O-N 2.82Å |
| 404 | K | 95.7 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -27.9 | 177.7 | -81.8 | -77.3 | 162.1 | -171 | 0 | 112.3 | E400 V401 D402 E407 L408 L638 Q641 E642 | E400-K404 PolarHBondContact O-N 3.39Å; V401-K404 PolarHBondContact O-N 3.26Å; V401-K404 VanDerWaalsContact O-N 3.14Å; D402-K404 PolarHBondContact O-N 2.96Å; K404-E407 WeakPolarHBondContact CD-OE2 3.21Å; K404-E407 WeakPolarHBondContact CE-OE2 3.37Å; K404-E407 IonicContact NZ-OE1 2.61Å; K404-E407 IonicContact NZ-OE2 3.6Å; K404-E407 PolarHBondContact NZ-OE2 3.48Å; K404-L408 WeakPolarHBondContact O-CB 3.34Å; K404-L408 PolarHBondContact O-N 2.97Å; K404-L638 HydrophobicContact CB-CD2 3.97Å; K404-L638 HydrophobicContact CG-CB 4.47Å; K404-L638 HydrophobicContact CG-CD2 4.28Å; K404-Q641 PolarHBondContact O-NE2 3.3Å; K404-Q641 PolarHBondContact O-OE1 3.04Å; K404-Q641 VanDerWaalsContact O-OE1 3.07Å; K404-E642 IonicContact NZ-OE1 2.8Å; K404-E642 PolarHBondContact NZ-OE1 3.16Å |
| 405 | E | 94.3 | Very high | 92.3 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.8 | -41.2 | 173.8 | -154.4 | 53.6 | -116.4 | 0 | 0 | 111.3 | V401 D402 T403 E407 L408 D409 R581 R584 | V401-E405 WeakPolarHBondContact O-CB 3.01Å; V401-E405 PolarHBondContact O-N 2.88Å; D402-E405 WeakPolarHBondContact O-CB 3.45Å; D402-E405 PolarHBondContact O-N 3.22Å; T403-E405 VanDerWaalsContact C-N 3.3Å; T403-E405 PolarHBondContact O-N 2.97Å; E405-E407 PolarHBondContact O-N 3.28Å; E405-L408 WeakPolarHBondContact O-CB 3.44Å; E405-L408 PolarHBondContact O-N 3.38Å; E405-L408 VanDerWaalsContact O-N 3.13Å; E405-D409 PolarHBondContact O-N 3.39Å; E405-R581 IonicContact OE1-CZ 3.15Å; E405-R581 IonicContact OE1-NE 3.14Å; E405-R581 PolarHBondContact OE1-NE 3.47Å; E405-R581 IonicContact OE1-NH2 2.72Å; E405-R581 PolarHBondContact OE1-NH2 2.67Å; E405-R584 VanDerWaalsContact OE2-CD 3.25Å; E405-R584 WeakPolarHBondContact OE2-CD 3.38Å; E405-R584 IonicContact OE2-CZ 3.88Å; E405-R584 IonicContact OE2-NE 2.81Å; E405-R584 IonicContact OE2-NH1 3.22Å; E405-R584 PolarHBondContact OE2-NH1 3.4Å |
| 406 | D | 94 | Very high | 90.8 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 172.5 | -122.5 | 49.6 | 0 | 0 | 0 | 113 | D402 T403 K410 | D402-D406 WeakPolarHBondContact O-CB 3.49Å; D402-D406 PolarHBondContact O-N 3.03Å; T403-D406 WeakPolarHBondContact O-CB 3.34Å; T403-D406 PolarHBondContact O-N 2.97Å; D406-K410 WeakPolarHBondContact O-CD 3.26Å; D406-K410 VanDerWaalsContact O-CG 3.25Å; D406-K410 WeakPolarHBondContact O-CG 3.45Å; D406-K410 PolarHBondContact O-NZ 3.33Å; D406-K410 IonicContact OD2-NZ 3.02Å; D406-K410 PolarHBondContact OD2-NZ 3.1Å |
| 407 | E | 93.9 | Very high | 89.5 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.3 | -34.9 | 170.2 | -76.7 | 177.5 | -159 | 0 | 0 | 112.3 | T403 K404 E405 F411 | T403-E407 WeakPolarHBondContact O-CG 3.49Å; T403-E407 PolarHBondContact O-N 2.82Å; K404-E407 WeakPolarHBondContact CD-OE2 3.21Å; K404-E407 WeakPolarHBondContact CE-OE2 3.37Å; K404-E407 IonicContact NZ-OE1 2.61Å; K404-E407 IonicContact NZ-OE2 3.6Å; K404-E407 PolarHBondContact NZ-OE2 3.48Å; E405-E407 PolarHBondContact O-N 3.28Å; E407-F411 WeakPolarHBondContact O-CB 3.38Å; E407-F411 PolarHBondContact O-N 2.96Å |
| 408 | L | 93.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.6 | -45.3 | -177.7 | -178.3 | 55.3 | 0 | 0 | 0 | 111.4 | K404 E405 K410 F411 L412 V577 M580 R581 Q641 Q645 | K404-L408 WeakPolarHBondContact O-CB 3.34Å; K404-L408 PolarHBondContact O-N 2.97Å; E405-L408 WeakPolarHBondContact O-CB 3.44Å; E405-L408 PolarHBondContact O-N 3.38Å; E405-L408 VanDerWaalsContact O-N 3.13Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 3.32Å; L408-F411 PolarHBondContact O-N 3.08Å; L408-L412 HydrophobicContact CD1-CD1 3.96Å; L408-L412 HydrophobicContact CD1-CD2 4.2Å; L408-L412 HydrophobicContact CD1-CG 3.86Å; L408-L412 HydrophobicContact CG-CD1 3.8Å; L408-L412 HydrophobicContact CG-CG 4.2Å; L408-L412 VanDerWaalsContact O-CG 3.25Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 3.47Å; L408-V577 HydrophobicContact CD2-CG1 4.3Å; L408-M580 HydrophobicContact CD2-CE 3.39Å; L408-R581 HydrophobicContact CD2-CG 4.4Å; L408-Q641 HydrophobicContact CD1-CG 4.23Å; L408-Q645 HydrophobicContact CD1-CG 4.34Å |
| 409 | D | 90.1 | Very high | 86.5 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | -178.2 | -112.2 | -1.5 | 0 | 0 | 0 | 111.9 | E405 S413 R581 K1693 K1694 | E405-D409 PolarHBondContact O-N 3.39Å; D409-S413 PolarHBondContact O-OG 3.24Å; D409-R581 VanDerWaalsContact CG-NH2 3.33Å; D409-R581 IonicContact OD1-CZ 2.95Å; D409-R581 IonicContact OD1-NH1 2.9Å; D409-R581 PolarHBondContact OD1-NH1 2.88Å; D409-R581 IonicContact OD1-NH2 2.87Å; D409-R581 PolarHBondContact OD1-NH2 3.14Å; D409-K1693 CarbonylContact C-O 3.55Å; D409-K1694 HydrophobicContact CB-CG 4.11Å; D409-K1694 WeakPolarHBondContact O-CA 3.45Å; D409-K1694 IonicContact OD1-NZ 2.59Å; D409-K1694 PolarHBondContact OD1-NZ 2.83Å; D409-K1694 IonicContact OD2-NZ 2.65Å; D409-K1694 PolarHBondContact OD2-NZ 3.19Å |
| 410 | K | 89.3 | Confident | 85 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 30% | 0.3 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56 | -59 | 170.9 | -68.7 | 177.3 | -168 | 95 | 0 | 110.8 | D406 L408 L412 S413 T414 K1693 D1695 | D406-K410 WeakPolarHBondContact O-CD 3.26Å; D406-K410 VanDerWaalsContact O-CG 3.25Å; D406-K410 WeakPolarHBondContact O-CG 3.45Å; D406-K410 PolarHBondContact O-NZ 3.33Å; D406-K410 IonicContact OD2-NZ 3.02Å; D406-K410 PolarHBondContact OD2-NZ 3.1Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 3.32Å; K410-L412 VanDerWaalsContact C-N 3.35Å; K410-L412 PolarHBondContact O-N 2.92Å; K410-S413 PolarHBondContact O-N 3.4Å; K410-S413 PolarHBondContact O-OG 2.99Å; K410-T414 PolarHBondContact O-N 3.35Å; K410-T414 PolarHBondContact O-OG1 3.4Å; K410-T414 VanDerWaalsContact O-OG1 3.06Å; K410-K1693 WeakPolarHBondContact CA-O 3.4Å; K410-K1693 WeakPolarHBondContact CG-O 3.16Å; K410-K1693 PolarHBondContact N-O 2.83Å; K410-K1693 VanDerWaalsContact N-O 3.12Å; K410-D1695 VanDerWaalsContact C-CG 3.48Å; K410-D1695 WeakPolarHBondContact CA-OD1 3.47Å; K410-D1695 WeakPolarHBondContact CB-OD1 3.14Å; K410-D1695 WeakPolarHBondContact CG-OD1 3.32Å; K410-D1695 VanDerWaalsContact O-CB 3.27Å; K410-D1695 WeakPolarHBondContact O-CB 3.33Å |
| 411 | F | 91.1 | Very high | 83.5 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | -176.9 | 172.1 | -89.4 | 0 | 0 | 0 | 114.9 | E407 L408 S413 T414 L415 Q645 L648 I649 | E407-F411 WeakPolarHBondContact O-CB 3.38Å; E407-F411 PolarHBondContact O-N 2.96Å; L408-F411 PolarHBondContact O-N 3.08Å; F411-S413 PolarHBondContact O-N 3.44Å; F411-T414 PolarHBondContact O-OG1 3.22Å; F411-L415 HydrophobicContact CD1-CD1 4.17Å; F411-L415 HydrophobicContact CE1-CD1 3.47Å; F411-L415 VanDerWaalsContact CE1-CD1 3.47Å; F411-L415 HydrophobicContact CE1-CG 4.44Å; F411-L415 HydrophobicContact CZ-CD1 3.69Å; F411-L415 HydrophobicContact CZ-CG 4.31Å; F411-Q645 HydrophobicContact CD1-CB 4.03Å; F411-Q645 HydrophobicContact CD1-CG 3.54Å; F411-Q645 HydrophobicContact CD2-CB 4.38Å; F411-Q645 HydrophobicContact CD2-CG 4.41Å; F411-Q645 HydrophobicContact CE1-CB 3.67Å; F411-Q645 HydrophobicContact CE1-CG 3.68Å; F411-Q645 HydrophobicContact CE2-CB 4.06Å; F411-Q645 HydrophobicContact CG-CB 4.37Å; F411-Q645 HydrophobicContact CG-CG 3.95Å; F411-Q645 HydrophobicContact CZ-CB 3.71Å; F411-Q645 HydrophobicContact CZ-CG 4.19Å; F411-Q645 WeakPolarHBondContact CZ-O 3.28Å; F411-L648 HydrophobicContact CE1-CB 4.05Å; F411-L648 HydrophobicContact CE1-CD1 4.04Å; F411-L648 HydrophobicContact CZ-CB 4.15Å; F411-I649 HydrophobicContact CE2-CD1 3.96Å; F411-I649 HydrophobicContact CE2-CG1 3.7Å; F411-I649 HydrophobicContact CZ-CD1 4.4Å; F411-I649 HydrophobicContact CZ-CG1 3.78Å |
| 412 | L | 87.8 | Confident | 81.9 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -15.1 | -174.8 | -75.7 | 169.7 | 0 | 0 | 0 | 114.1 | L408 K410 F574 V577 L648 | L408-L412 HydrophobicContact CD1-CD1 3.96Å; L408-L412 HydrophobicContact CD1-CD2 4.2Å; L408-L412 HydrophobicContact CD1-CG 3.86Å; L408-L412 HydrophobicContact CG-CD1 3.8Å; L408-L412 HydrophobicContact CG-CG 4.2Å; L408-L412 VanDerWaalsContact O-CG 3.25Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 3.47Å; K410-L412 VanDerWaalsContact C-N 3.35Å; K410-L412 PolarHBondContact O-N 2.92Å; L412-F574 HydrophobicContact CD2-CD1 4.37Å; L412-F574 HydrophobicContact CD2-CE1 4.03Å; L412-V577 HydrophobicContact CD1-CG1 3.76Å; L412-V577 HydrophobicContact CD2-CG1 4.04Å; L412-V577 HydrophobicContact CD2-CG2 4Å; L412-L648 HydrophobicContact CD2-CD1 3.95Å |
| 413 | S | 82.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -122.8 | -23 | -164.1 | 35.9 | 0 | 0 | 0 | 0 | 113.6 | D409 K410 F411 L415 Y416 K1694 D1695 | D409-S413 PolarHBondContact O-OG 3.24Å; K410-S413 PolarHBondContact O-N 3.4Å; K410-S413 PolarHBondContact O-OG 2.99Å; F411-S413 PolarHBondContact O-N 3.44Å; S413-L415 PolarHBondContact O-N 2.92Å; S413-L415 VanDerWaalsContact O-N 3.15Å; S413-Y416 WeakPolarHBondContact O-CD2 3.3Å; S413-Y416 VanDerWaalsContact O-CE2 3.23Å; S413-Y416 WeakPolarHBondContact O-CE2 3.1Å; S413-Y416 PolarHBondContact O-N 3.38Å; S413-K1694 VanDerWaalsContact CB-C 3.47Å; S413-K1694 WeakPolarHBondContact CB-O 3.39Å; S413-K1694 WeakPolarHBondContact OG-CA 3.38Å; S413-K1694 WeakPolarHBondContact OG-CB 3.44Å; S413-K1694 PolarHBondContact OG-O 2.73Å; S413-D1695 PolarHBondContact OG-N 3.5Å |
| 414 | T | 84.5 | Confident | 79.6 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.6 | -21.3 | 155.4 | 3.1 | 0 | 0 | 0 | 0 | 111.4 | K410 F411 Y416 D1695 | K410-T414 PolarHBondContact O-N 3.35Å; K410-T414 PolarHBondContact O-OG1 3.4Å; K410-T414 VanDerWaalsContact O-OG1 3.06Å; F411-T414 PolarHBondContact O-OG1 3.22Å; T414-Y416 WeakPolarHBondContact O-CD2 3.5Å; T414-D1695 HydrophobicContact CG2-CB 3.98Å; T414-D1695 VanDerWaalsContact CG2-OD2 3.31Å; T414-D1695 WeakPolarHBondContact CG2-OD2 3.45Å; T414-D1695 PolarHBondContact OG1-OD2 2.96Å |
| 415 | L | 76.7 | Confident | 78.7 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -26.6 | 178.2 | -75.1 | 168.6 | 0 | 0 | 0 | 115.6 | F411 S413 L417 L648 N652 | F411-L415 HydrophobicContact CD1-CD1 4.17Å; F411-L415 HydrophobicContact CE1-CD1 3.47Å; F411-L415 VanDerWaalsContact CE1-CD1 3.47Å; F411-L415 HydrophobicContact CE1-CG 4.44Å; F411-L415 HydrophobicContact CZ-CD1 3.69Å; F411-L415 HydrophobicContact CZ-CG 4.31Å; S413-L415 PolarHBondContact O-N 2.92Å; S413-L415 VanDerWaalsContact O-N 3.15Å; L415-L417 HydrophobicContact CB-CD1 4.41Å; L415-L417 HydrophobicContact CD2-CD1 4.44Å; L415-L417 PolarHBondContact O-N 3.14Å; L415-L648 HydrophobicContact CD1-CB 3.79Å; L415-L648 HydrophobicContact CD1-CD1 4.35Å; L415-N652 HydrophobicContact CD2-CB 3.78Å |
| 416 | Y | 66.4 | Low | 78.1 | Confident | 131 Ų | 131 | 42.6 Ų | 42.6 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | trans | 49.7 | 23 | -177.8 | -65.3 | -91 | 0 | 0 | 0 | 116.9 | S413 T414 D418 D1695 I1696 | S413-Y416 WeakPolarHBondContact O-CD2 3.3Å; S413-Y416 VanDerWaalsContact O-CE2 3.23Å; S413-Y416 WeakPolarHBondContact O-CE2 3.1Å; S413-Y416 PolarHBondContact O-N 3.38Å; T414-Y416 WeakPolarHBondContact O-CD2 3.5Å; Y416-D418 PolarHBondContact O-N 3.04Å; Y416-D1695 PolarHBondContact OH-O 2.9Å; Y416-I1696 HydrophobicContact CE1-CG1 3.86Å; Y416-I1696 WeakPolarHBondContact OH-CA 3.36Å | ||
| 417 | L | 66.5 | Low | 77.2 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -81.9 | 69.5 | -173.6 | -83.7 | 170.7 | 0 | 0 | 0 | 114.4 | L415 T419 M422 F574 N652 F655 | L415-L417 HydrophobicContact CB-CD1 4.41Å; L415-L417 HydrophobicContact CD2-CD1 4.44Å; L415-L417 PolarHBondContact O-N 3.14Å; L417-T419 HydrophobicContact CD2-CG2 4.3Å; L417-T419 PolarHBondContact O-N 2.87Å; L417-M422 HydrophobicContact CD2-CE 4.22Å; L417-M422 HydrophobicContact CD2-SD 4.18Å; L417-F574 HydrophobicContact CB-CE2 4.11Å; L417-F574 HydrophobicContact CB-CZ 4.02Å; L417-N652 HydrophobicContact CD1-CB 3.85Å; L417-N652 HydrophobicContact CG-CB 4.48Å; L417-F655 HydrophobicContact CD2-CD1 4.29Å | ||
| 418 | D | 65.5 | Low | 76.3 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | trans | -83.9 | 77.6 | 163.7 | -170.9 | -24.6 | 0 | 0 | 0 | 110.4 | Y416 T420 K421 M422 P1271 N1275 | Y416-D418 PolarHBondContact O-N 3.04Å; D418-T420 PolarHBondContact O-N 2.84Å; D418-T420 VanDerWaalsContact O-N 3.13Å; D418-T420 VanDerWaalsContact OD1-CB 3.31Å; D418-T420 WeakPolarHBondContact OD1-CB 3.44Å; D418-T420 PolarHBondContact OD1-N 3.37Å; D418-T420 PolarHBondContact OD1-OG1 3.38Å; D418-K421 HydrophobicContact CB-CB 4.26Å; D418-K421 PolarHBondContact O-N 3.38Å; D418-K421 PolarHBondContact OD1-N 3.15Å; D418-K421 WeakPolarHBondContact OD2-CD 3.3Å; D418-K421 WeakPolarHBondContact OD2-CE 3.49Å; D418-K421 WeakPolarHBondContact OD2-CG 3.21Å; D418-M422 WeakPolarHBondContact O-CG 3.28Å; D418-M422 PolarHBondContact O-N 3.37Å; D418-P1271 HydrophobicContact CB-CB 3.77Å; D418-P1271 VanDerWaalsContact OD2-CB 3.28Å; D418-P1271 WeakPolarHBondContact OD2-CB 3.5Å; D418-N1275 PolarHBondContact OD2-ND2 2.88Å | ||
| 419 | T | 63.3 | Low | 75.5 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -25.5 | -178 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | L417 M422 L423 S570 | L417-T419 HydrophobicContact CD2-CG2 4.3Å; L417-T419 PolarHBondContact O-N 2.87Å; T419-M422 HydrophobicContact CG2-SD 4.17Å; T419-L423 WeakPolarHBondContact O-CB 3.49Å; T419-L423 PolarHBondContact O-N 3.33Å; T419-S570 WeakPolarHBondContact CG2-OG 3.43Å; T419-S570 PolarHBondContact OG1-OG 3.49Å |
| 420 | T | 64.7 | Low | 75.1 | Confident | 79 Ų | 79 | 47.3 Ų | 47.3 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 171.7 | 11.8 | 0 | 0 | 0 | 0 | 112.8 | D418 A424 | D418-T420 PolarHBondContact O-N 2.84Å; D418-T420 VanDerWaalsContact O-N 3.13Å; D418-T420 VanDerWaalsContact OD1-CB 3.31Å; D418-T420 WeakPolarHBondContact OD1-CB 3.44Å; D418-T420 PolarHBondContact OD1-N 3.37Å; D418-T420 PolarHBondContact OD1-OG1 3.38Å; T420-A424 PolarHBondContact O-N 3.48Å |
| 421 | K | 65.6 | Low | 74.7 | Confident | 74 Ų | 74 | 50 Ų | 50 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -79.7 | -25.1 | 176 | -66.9 | -173.9 | -163.4 | -158.8 | 0 | 113.1 | D418 A424 R666 L1272 | D418-K421 HydrophobicContact CB-CB 4.26Å; D418-K421 PolarHBondContact O-N 3.38Å; D418-K421 PolarHBondContact OD1-N 3.15Å; D418-K421 WeakPolarHBondContact OD2-CD 3.3Å; D418-K421 WeakPolarHBondContact OD2-CE 3.49Å; D418-K421 WeakPolarHBondContact OD2-CG 3.21Å; K421-A424 WeakPolarHBondContact O-CB 3.5Å; K421-A424 PolarHBondContact O-N 3.25Å; K421-R666 PolarHBondContact O-NH1 2.74Å; K421-R666 PolarHBondContact O-NH2 2.82Å; K421-L1272 VanDerWaalsContact CE-CD2 3.44Å; K421-L1272 HydrophobicContact CG-CD2 4.2Å |
| 422 | M | 63.7 | Low | 74.2 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 171.4 | -67 | 161.5 | 156.3 | 0 | 0 | 110.8 | L417 D418 T419 A424 F655 W659 R666 | L417-M422 HydrophobicContact CD2-CE 4.22Å; L417-M422 HydrophobicContact CD2-SD 4.18Å; D418-M422 WeakPolarHBondContact O-CG 3.28Å; D418-M422 PolarHBondContact O-N 3.37Å; T419-M422 HydrophobicContact CG2-SD 4.17Å; M422-A424 PolarHBondContact O-N 3.38Å; M422-F655 HydrophobicContact CB-CE1 4.01Å; M422-F655 HydrophobicContact CB-CZ 3.99Å; M422-F655 HydrophobicContact CE-CD1 4.27Å; M422-F655 HydrophobicContact CE-CE1 4.01Å; M422-F655 HydrophobicContact CG-CE1 3.98Å; M422-F655 HydrophobicContact CG-CZ 4.46Å; M422-F655 HydrophobicContact SD-CD1 3.98Å; M422-F655 HydrophobicContact SD-CE1 3.37Å; M422-F655 WeakPolarHBondContact SD-CE1 3.44Å; M422-F655 HydrophobicContact SD-CZ 4.14Å; M422-W659 HydrophobicContact CB-CE3 4.05Å; M422-W659 HydrophobicContact CB-CZ3 3.99Å; M422-W659 HydrophobicContact CE-CD2 3.98Å; M422-W659 HydrophobicContact CE-CG 4.07Å; M422-W659 HydrophobicContact CG-CD2 4.05Å; M422-W659 HydrophobicContact CG-CE3 3.68Å; M422-W659 HydrophobicContact CG-CH2 4.04Å; M422-W659 HydrophobicContact CG-CZ2 4.37Å; M422-W659 HydrophobicContact CG-CZ3 3.69Å; M422-R666 PolarHBondContact O-NH2 2.83Å |
| 423 | L | 69.4 | Low | 74.1 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.2 | 176.9 | -72.1 | 171.6 | 0 | 0 | 0 | 115.7 | T419 G425 I558 L563 A567 | T419-L423 WeakPolarHBondContact O-CB 3.49Å; T419-L423 PolarHBondContact O-N 3.33Å; L423-G425 PolarHBondContact O-N 2.94Å; L423-I558 HydrophobicContact CB-CG2 4.5Å; L423-I558 HydrophobicContact CD2-CG2 4.01Å; L423-I558 WeakPolarHBondContact O-CG2 3.32Å; L423-L563 HydrophobicContact CD2-CB 4.22Å; L423-L563 HydrophobicContact CD2-CD2 3.64Å; L423-A567 HydrophobicContact CD1-CB 3.44Å; L423-A567 VanDerWaalsContact CD1-CB 3.44Å |
| 424 | A | 73.1 | Confident | 74.2 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | trans | -64.8 | 134.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T420 K421 M422 I558 R666 | T420-A424 PolarHBondContact O-N 3.48Å; K421-A424 WeakPolarHBondContact O-CB 3.5Å; K421-A424 PolarHBondContact O-N 3.25Å; M422-A424 PolarHBondContact O-N 3.38Å; A424-I558 WeakPolarHBondContact O-CD1 3.39Å; A424-R666 PolarHBondContact O-NH2 3.09Å | ||
| 425 | G | 77 | Confident | 74.2 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | trans | -64.9 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L423 N555 | L423-G425 PolarHBondContact O-N 2.94Å; G425-N555 VanDerWaalsContact CA-OD1 3.27Å; G425-N555 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 426 | D | 81.1 | Confident | 74.5 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 137.8 | 175.7 | -67.9 | -47.3 | 0 | 0 | 0 | 111.6 | S553 V554 N555 R669 | D426-S553 WeakPolarHBondContact OD1-CA 3.48Å; D426-S553 VanDerWaalsContact OD2-CA 3.31Å; D426-S553 WeakPolarHBondContact OD2-CA 3.37Å; D426-S553 WeakPolarHBondContact OD2-CB 3.14Å; D426-S553 PolarHBondContact OD2-OG 3.34Å; D426-V554 WeakPolarHBondContact OD1-CG2 3.42Å; D426-V554 PolarHBondContact OD1-N 3.41Å; D426-N555 PolarHBondContact N-OD1 2.71Å; D426-N555 PolarHBondContact OD2-ND2 3.27Å; D426-R669 IonicContact OD1-NE 2.72Å; D426-R669 IonicContact OD2-NH1 3.37Å |
| 427 | P | 76.2 | Confident | 75.3 | Confident | 80 Ų | 80 | 49 Ų | 49 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 150.6 | 177.4 | 27.6 | -34.6 | 0 | 0 | 0 | 111.9 | ||
| 428 | P | 74.4 | Confident | 76 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 79% | 0.792 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 150 | 174.1 | 28.9 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 429 | F | 77.6 | Confident | 76.5 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.4 | -174 | -59.8 | -74.2 | 0 | 0 | 0 | 112.7 | L433 Y434 I548 L551 I673 | F429-L433 HydrophobicContact CB-CD2 4.45Å; F429-L433 HydrophobicContact CD1-CD2 4.27Å; F429-Y434 HydrophobicContact CB-CD2 4.49Å; F429-Y434 HydrophobicContact CB-CE2 3.73Å; F429-I548 HydrophobicContact CD2-CD1 4.04Å; F429-I548 HydrophobicContact CD2-CG1 4.33Å; F429-I548 HydrophobicContact CE1-CG1 4.03Å; F429-I548 HydrophobicContact CE2-CD1 3.74Å; F429-I548 HydrophobicContact CE2-CG1 3.79Å; F429-I548 HydrophobicContact CE2-CG2 4.09Å; F429-I548 HydrophobicContact CZ-CB 4.2Å; F429-I548 HydrophobicContact CZ-CD1 4.13Å; F429-I548 HydrophobicContact CZ-CG1 3.63Å; F429-I548 HydrophobicContact CZ-CG2 3.82Å; F429-L551 HydrophobicContact CD1-CD1 4.37Å; F429-L551 HydrophobicContact CE1-CD1 3.64Å; F429-I673 HydrophobicContact CD1-CD1 4.3Å |
| 430 | P | 81.6 | Confident | 77.1 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.1 | 177 | -26.1 | 35.7 | 0 | 0 | 0 | 113.3 | S432 L433 Y434 I673 | P430-S432 WeakPolarHBondContact CB-OG 3.26Å; P430-S432 PolarHBondContact O-N 2.96Å; P430-L433 WeakPolarHBondContact O-CB 3.34Å; P430-L433 PolarHBondContact O-N 3.03Å; P430-Y434 WeakPolarHBondContact O-CD2 3.42Å; P430-Y434 PolarHBondContact O-N 2.85Å; P430-I673 HydrophobicContact CG-CG2 4.09Å |
| 431 | Q | 81 | Confident | 77.6 | Confident | 126 Ų | 126 | 55.1 Ų | 55.1 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 176.3 | -173 | 59.2 | 50.4 | 0 | 0 | 112.5 | L433 Y434 N435 | Q431-L433 VanDerWaalsContact C-N 3.26Å; Q431-L433 PolarHBondContact O-N 3.5Å; Q431-Y434 PolarHBondContact O-N 3.34Å; Q431-N435 PolarHBondContact NE2-OD1 2.75Å; Q431-N435 WeakPolarHBondContact O-CB 3.41Å; Q431-N435 PolarHBondContact O-N 2.64Å; Q431-N435 PolarHBondContact O-OD1 3.01Å |
| 432 | S | 80.7 | Confident | 77.7 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.8 | -37.4 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | P430 N435 L436 | P430-S432 WeakPolarHBondContact CB-OG 3.26Å; P430-S432 PolarHBondContact O-N 2.96Å; S432-N435 PolarHBondContact O-N 3.33Å; S432-L436 WeakPolarHBondContact O-CB 3.48Å; S432-L436 PolarHBondContact O-N 2.83Å |
| 433 | L | 84.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 178.2 | -168.4 | 72.8 | 0 | 0 | 0 | 111 | F429 P430 Q431 N435 L436 F437 L544 F547 I673 I676 L677 | F429-L433 HydrophobicContact CB-CD2 4.45Å; F429-L433 HydrophobicContact CD1-CD2 4.27Å; P430-L433 WeakPolarHBondContact O-CB 3.34Å; P430-L433 PolarHBondContact O-N 3.03Å; Q431-L433 VanDerWaalsContact C-N 3.26Å; Q431-L433 PolarHBondContact O-N 3.5Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 3.32Å; L433-L436 PolarHBondContact O-N 2.85Å; L433-F437 HydrophobicContact CD1-CD2 4.15Å; L433-F437 HydrophobicContact CD1-CE2 3.84Å; L433-F437 HydrophobicContact CG-CD2 4.15Å; L433-F437 HydrophobicContact CG-CE2 4.19Å; L433-F437 WeakPolarHBondContact O-CD2 3.48Å; L433-F437 PolarHBondContact O-N 3.21Å; L433-L544 HydrophobicContact CD2-CD1 4.22Å; L433-L544 HydrophobicContact CG-CD1 4.35Å; L433-F547 HydrophobicContact CD1-CE1 4.17Å; L433-F547 HydrophobicContact CD2-CD1 4.32Å; L433-F547 HydrophobicContact CD2-CE1 3.98Å; L433-I673 HydrophobicContact CD1-CG2 4.38Å; L433-I673 HydrophobicContact CD2-CG2 4.3Å; L433-I676 HydrophobicContact CD1-CG2 4.25Å; L433-L677 HydrophobicContact CB-CD2 4.42Å; L433-L677 HydrophobicContact CD1-CD2 4.39Å; L433-L677 HydrophobicContact CD1-CG 4.39Å |
| 434 | Y | 85.4 | Confident | 77.1 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 38% | 0.384 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 172.5 | -75.2 | -79.6 | 0 | 0 | 0 | 111.7 | F429 P430 Q431 L436 A438 L544 | F429-Y434 HydrophobicContact CB-CD2 4.49Å; F429-Y434 HydrophobicContact CB-CE2 3.73Å; P430-Y434 WeakPolarHBondContact O-CD2 3.42Å; P430-Y434 PolarHBondContact O-N 2.85Å; Q431-Y434 PolarHBondContact O-N 3.34Å; Y434-L436 VanDerWaalsContact C-N 3.34Å; Y434-L436 PolarHBondContact O-N 3.18Å; Y434-A438 VanDerWaalsContact O-CB 3.26Å; Y434-A438 WeakPolarHBondContact O-CB 3.25Å; Y434-A438 PolarHBondContact O-N 3Å; Y434-L544 HydrophobicContact CD1-CD2 3.38Å; Y434-L544 HydrophobicContact CE1-CD2 3.56Å; Y434-L544 HydrophobicContact CG-CD2 4.24Å |
| 435 | N | 83.7 | Confident | 76.3 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 178.7 | -66.9 | -3.9 | 0 | 0 | 0 | 111.5 | Q431 S432 L433 R439 | Q431-N435 PolarHBondContact NE2-OD1 2.75Å; Q431-N435 WeakPolarHBondContact O-CB 3.41Å; Q431-N435 PolarHBondContact O-N 2.64Å; Q431-N435 PolarHBondContact O-OD1 3.01Å; S432-N435 PolarHBondContact O-N 3.33Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 3.32Å; N435-R439 WeakPolarHBondContact O-CB 3.42Å; N435-R439 PolarHBondContact O-N 2.73Å |
| 436 | L | 83.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 178 | 174.4 | 55.7 | 0 | 0 | 0 | 112 | S432 L433 Y434 A438 R439 M440 L540 I676 L677 G680 | S432-L436 WeakPolarHBondContact O-CB 3.48Å; S432-L436 PolarHBondContact O-N 2.83Å; L433-L436 PolarHBondContact O-N 2.85Å; Y434-L436 VanDerWaalsContact C-N 3.34Å; Y434-L436 PolarHBondContact O-N 3.18Å; L436-A438 PolarHBondContact O-N 3.24Å; L436-R439 WeakPolarHBondContact O-CB 3.42Å; L436-R439 PolarHBondContact O-N 3.05Å; L436-R439 VanDerWaalsContact O-N 3.17Å; L436-M440 HydrophobicContact CD1-CE 4.32Å; L436-M440 HydrophobicContact CD1-CG 4.06Å; L436-M440 WeakPolarHBondContact O-CG 3.48Å; L436-M440 PolarHBondContact O-N 3.33Å; L436-L540 HydrophobicContact CD1-CD2 4.4Å; L436-L540 HydrophobicContact CD2-CD2 3.95Å; L436-L540 HydrophobicContact CG-CD2 4.07Å; L436-I676 HydrophobicContact CD2-CG2 4.32Å; L436-I676 VanDerWaalsContact CD2-O 3.28Å; L436-I676 WeakPolarHBondContact CD2-O 3.18Å; L436-L677 HydrophobicContact CD2-CD2 4.26Å; L436-G680 VanDerWaalsContact CD1-CA 3.48Å |
| 437 | F | 82.7 | Confident | 74.5 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 178.7 | -84.9 | -88.2 | 0 | 0 | 0 | 111.9 | L433 R439 M440 D441 I542 L544 F547 I676 | L433-F437 HydrophobicContact CD1-CD2 4.15Å; L433-F437 HydrophobicContact CD1-CE2 3.84Å; L433-F437 HydrophobicContact CG-CD2 4.15Å; L433-F437 HydrophobicContact CG-CE2 4.19Å; L433-F437 WeakPolarHBondContact O-CD2 3.48Å; L433-F437 PolarHBondContact O-N 3.21Å; F437-R439 VanDerWaalsContact C-N 3.27Å; F437-R439 PolarHBondContact O-N 3.06Å; F437-M440 PolarHBondContact O-N 3.21Å; F437-D441 WeakPolarHBondContact O-CB 3.43Å; F437-D441 PolarHBondContact O-N 3.4Å; F437-I542 WeakPolarHBondContact CE1-O 3.25Å; F437-L544 HydrophobicContact CB-CB 4.14Å; F437-L544 HydrophobicContact CD1-CB 4.22Å; F437-L544 HydrophobicContact CD2-CD1 3.74Å; F437-L544 HydrophobicContact CE2-CD1 4.09Å; F437-L544 HydrophobicContact CG-CB 4.06Å; F437-L544 HydrophobicContact CG-CD1 4.1Å; F437-F547 HydrophobicContact CE1-CB 4.42Å; F437-F547 AromaticContact CE2-CD1 3.96Å; F437-F547 HydrophobicContact CE2-CD1 3.96Å; F437-F547 HydrophobicContact CE2-CE1 4.44Å; F437-F547 HydrophobicContact CE2-CG 4.31Å; F437-F547 HydrophobicContact CZ-CB 3.94Å; F437-F547 HydrophobicContact CZ-CD1 4.01Å; F437-F547 HydrophobicContact CZ-CD2 4.46Å; F437-F547 AromaticContact CZ-CG 3.87Å; F437-F547 HydrophobicContact CZ-CG 3.87Å; F437-I676 HydrophobicContact CE2-CG2 4.04Å; F437-I676 HydrophobicContact CZ-CG2 4.29Å |
| 438 | A | 81.1 | Confident | 73.8 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y434 L436 S442 | Y434-A438 VanDerWaalsContact O-CB 3.26Å; Y434-A438 WeakPolarHBondContact O-CB 3.25Å; Y434-A438 PolarHBondContact O-N 3Å; L436-A438 PolarHBondContact O-N 3.24Å; A438-S442 PolarHBondContact O-N 3.41Å |
| 439 | R | 76.4 | Confident | 73.5 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -42.9 | 174 | -175 | 177.7 | 67.1 | 161.9 | 10.8 | 112 | N435 L436 F437 D441 S442 G680 D684 | N435-R439 WeakPolarHBondContact O-CB 3.42Å; N435-R439 PolarHBondContact O-N 2.73Å; L436-R439 WeakPolarHBondContact O-CB 3.42Å; L436-R439 PolarHBondContact O-N 3.05Å; L436-R439 VanDerWaalsContact O-N 3.17Å; F437-R439 VanDerWaalsContact C-N 3.27Å; F437-R439 PolarHBondContact O-N 3.06Å; R439-D441 VanDerWaalsContact C-N 3.33Å; R439-D441 PolarHBondContact O-N 2.68Å; R439-S442 WeakPolarHBondContact O-CB 3.48Å; R439-S442 PolarHBondContact O-N 3.12Å; R439-S442 PolarHBondContact O-OG 3.33Å; R439-G680 PolarHBondContact NH2-O 2.77Å; R439-D684 IonicContact CZ-OD1 2.75Å; R439-D684 VanDerWaalsContact CZ-OD1 3.32Å; R439-D684 IonicContact CZ-OD2 2.68Å; R439-D684 IonicContact NE-OD1 2.67Å; R439-D684 VanDerWaalsContact NH1-CG 3.28Å; R439-D684 IonicContact NH1-OD1 3.95Å; R439-D684 PolarHBondContact NH1-OD1 3.25Å; R439-D684 IonicContact NH1-OD2 3.92Å; R439-D684 PolarHBondContact NH1-OD2 3.28Å; R439-D684 IonicContact NH2-OD1 3.94Å; R439-D684 PolarHBondContact NH2-OD1 2.84Å; R439-D684 IonicContact NH2-OD2 3.73Å; R439-D684 PolarHBondContact NH2-OD2 2.72Å |
| 440 | M | 76.1 | Confident | 73.1 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.8 | -65 | -62.5 | 96.7 | 0 | 0 | 111.9 | L436 F437 S442 V443 L540 F683 | L436-M440 HydrophobicContact CD1-CE 4.32Å; L436-M440 HydrophobicContact CD1-CG 4.06Å; L436-M440 WeakPolarHBondContact O-CG 3.48Å; L436-M440 PolarHBondContact O-N 3.33Å; F437-M440 PolarHBondContact O-N 3.21Å; M440-S442 PolarHBondContact O-N 2.89Å; M440-V443 PolarHBondContact O-N 2.73Å; M440-L540 HydrophobicContact CG-CB 4.23Å; M440-L540 HydrophobicContact CG-CD1 4.38Å; M440-L540 HydrophobicContact CG-CD2 4.29Å; M440-L540 HydrophobicContact SD-CD1 4.12Å; M440-F683 HydrophobicContact CE-CD1 3.88Å; M440-F683 HydrophobicContact CE-CE1 4.15Å; M440-F683 HydrophobicContact SD-CD1 4.13Å; M440-F683 HydrophobicContact SD-CE1 4.32Å |
| 441 | D | 73.5 | Confident | 72.8 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.8 | -28.1 | 170.4 | -90.1 | -29.4 | 0 | 0 | 0 | 112.9 | F437 R439 V443 R445 | F437-D441 WeakPolarHBondContact O-CB 3.43Å; F437-D441 PolarHBondContact O-N 3.4Å; R439-D441 VanDerWaalsContact C-N 3.33Å; R439-D441 PolarHBondContact O-N 2.68Å; D441-V443 VanDerWaalsContact C-N 3.33Å; D441-V443 PolarHBondContact O-N 3.39Å; D441-R445 IonicContact OD1-CZ 3.26Å; D441-R445 IonicContact OD1-NE 3.53Å; D441-R445 PolarHBondContact OD1-NE 2.96Å; D441-R445 IonicContact OD1-NH2 3.11Å; D441-R445 PolarHBondContact OD1-NH2 3.31Å; D441-R445 IonicContact OD2-NH2 2.64Å |
| 442 | S | 68.7 | Low | 72.7 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.6 | 178.7 | 77.6 | 0 | 0 | 0 | 0 | 115.3 | A438 R439 M440 | A438-S442 PolarHBondContact O-N 3.41Å; R439-S442 WeakPolarHBondContact O-CB 3.48Å; R439-S442 PolarHBondContact O-N 3.12Å; R439-S442 PolarHBondContact O-OG 3.33Å; M440-S442 PolarHBondContact O-N 2.89Å |
| 443 | V | 63.6 | Low | 72.7 | Confident | 51 Ų | 51 | 61.8 Ų | 61.8 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 41.9 | 178.8 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | M440 D441 R445 D446 | M440-V443 PolarHBondContact O-N 2.73Å; D441-V443 VanDerWaalsContact C-N 3.33Å; D441-V443 PolarHBondContact O-N 3.39Å; V443-R445 PolarHBondContact O-N 3.07Å; V443-D446 PolarHBondContact O-N 3.32Å |
| 444 | D | 57.6 | Low | 72.7 | Confident | 159 Ų | 159 | 63.3 Ų | 63.3 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 23.7 | 179.4 | -73.3 | -30.9 | 0 | 0 | 0 | 115.6 | D446 | D444-D446 PolarHBondContact O-N 3.49Å; D444-D446 VanDerWaalsContact O-N 3.09Å |
| 445 | R | 55.7 | Low | 72.6 | Confident | 122 Ų | 122 | 60.6 Ų | 60.6 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 12.7 | -177 | -72.5 | -164.2 | 175.9 | -163.8 | -3.2 | 117.1 | D441 V443 P447 | D441-R445 IonicContact OD1-CZ 3.26Å; D441-R445 IonicContact OD1-NE 3.53Å; D441-R445 PolarHBondContact OD1-NE 2.96Å; D441-R445 IonicContact OD1-NH2 3.11Å; D441-R445 PolarHBondContact OD1-NH2 3.31Å; D441-R445 IonicContact OD2-NH2 2.64Å; V443-R445 PolarHBondContact O-N 3.07Å; R445-P447 VanDerWaalsContact O-CD 3.3Å; R445-P447 WeakPolarHBondContact O-CD 3.45Å |
| 446 | D | 63.2 | Low | 72.7 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | trans | -116.2 | 76.8 | 165.8 | -165.3 | 7.2 | 0 | 0 | 0 | 111.4 | V443 D444 N448 G449 | V443-D446 PolarHBondContact O-N 3.32Å; D444-D446 PolarHBondContact O-N 3.49Å; D444-D446 VanDerWaalsContact O-N 3.09Å; D446-N448 PolarHBondContact O-N 2.85Å; D446-N448 WeakPolarHBondContact OD1-CA 3.44Å; D446-N448 WeakPolarHBondContact OD1-CB 3.17Å; D446-N448 PolarHBondContact OD1-N 3.36Å; D446-N448 VanDerWaalsContact OD1-N 3.13Å; D446-G449 WeakPolarHBondContact O-CA 3.49Å; D446-G449 PolarHBondContact O-N 3.47Å; D446-G449 PolarHBondContact OD1-N 3.39Å; D446-G449 VanDerWaalsContact OD2-CA 3.3Å; D446-G449 WeakPolarHBondContact OD2-CA 3.5Å; D446-G449 PolarHBondContact OD2-N 3.16Å | ||
| 447 | P | 56.3 | Low | 72.9 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.6 | -28.6 | 170.7 | 23.6 | -32.9 | 0 | 0 | 0 | 111.8 | R445 G449 L451 K541 F683 | R445-P447 VanDerWaalsContact O-CD 3.3Å; R445-P447 WeakPolarHBondContact O-CD 3.45Å; P447-G449 VanDerWaalsContact C-N 3.3Å; P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 PolarHBondContact O-N 2.63Å; P447-K541 HydrophobicContact CG-CG 4.2Å; P447-F683 HydrophobicContact CB-CD2 4.3Å; P447-F683 HydrophobicContact CB-CE1 4.1Å; P447-F683 HydrophobicContact CB-CE2 3.5Å; P447-F683 VanDerWaalsContact CB-CE2 3.5Å; P447-F683 HydrophobicContact CB-CZ 3.37Å; P447-F683 VanDerWaalsContact O-CE2 3.28Å; P447-F683 WeakPolarHBondContact O-CE2 3.42Å; P447-F683 WeakPolarHBondContact O-CZ 3.46Å |
| 448 | N | 62.2 | Low | 73.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.1 | -23.8 | 174.2 | -67.8 | 17.7 | 0 | 0 | 0 | 111.9 | D446 S452 K541 | D446-N448 PolarHBondContact O-N 2.85Å; D446-N448 WeakPolarHBondContact OD1-CA 3.44Å; D446-N448 WeakPolarHBondContact OD1-CB 3.17Å; D446-N448 PolarHBondContact OD1-N 3.36Å; D446-N448 VanDerWaalsContact OD1-N 3.13Å; N448-S452 WeakPolarHBondContact O-CA 3.33Å; N448-S452 WeakPolarHBondContact O-CB 3.49Å; N448-S452 PolarHBondContact O-N 3.07Å; N448-K541 PolarHBondContact ND2-NZ 2.93Å |
| 449 | G | 68 | Low | 73.6 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.9 | -57.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D446 P447 S452 K453 | D446-G449 WeakPolarHBondContact O-CA 3.49Å; D446-G449 PolarHBondContact O-N 3.47Å; D446-G449 PolarHBondContact OD1-N 3.39Å; D446-G449 VanDerWaalsContact OD2-CA 3.3Å; D446-G449 WeakPolarHBondContact OD2-CA 3.5Å; D446-G449 PolarHBondContact OD2-N 3.16Å; P447-G449 VanDerWaalsContact C-N 3.3Å; G449-S452 PolarHBondContact O-N 3.04Å; G449-K453 VanDerWaalsContact O-CB 3.28Å; G449-K453 WeakPolarHBondContact O-CB 3.33Å; G449-K453 PolarHBondContact O-N 3.26Å |
| 450 | E | 68.8 | Low | 74.2 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 176.9 | -177.1 | 58 | -158.4 | 0 | 0 | 111.4 | K453 Q454 L687 | E450-K453 VanDerWaalsContact CD-NZ 3.34Å; E450-K453 PolarHBondContact O-N 2.87Å; E450-K453 IonicContact OE1-NZ 2.74Å; E450-K453 PolarHBondContact OE1-NZ 2.76Å; E450-K453 WeakPolarHBondContact OE2-CD 3.12Å; E450-K453 IonicContact OE2-NZ 2.89Å; E450-K453 PolarHBondContact OE2-NZ 3.35Å; E450-Q454 WeakPolarHBondContact O-CG 3.21Å; E450-Q454 PolarHBondContact O-N 3.27Å; E450-Q454 PolarHBondContact OE1-NE2 3.33Å; E450-L687 HydrophobicContact CG-CD2 4.43Å |
| 451 | L | 75.8 | Confident | 74.9 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.2 | 178 | 54.2 | 0 | 0 | 0 | 111.9 | P447 K453 Q454 L455 F537 F683 I686 L687 | P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 PolarHBondContact O-N 2.63Å; L451-K453 VanDerWaalsContact C-N 3.35Å; L451-K453 PolarHBondContact O-N 3.2Å; L451-Q454 PolarHBondContact O-N 2.99Å; L451-L455 HydrophobicContact CD1-CD1 3.69Å; L451-L455 HydrophobicContact CD1-CG 4.06Å; L451-L455 HydrophobicContact CG-CD1 3.77Å; L451-L455 WeakPolarHBondContact O-CB 3.18Å; L451-L455 WeakPolarHBondContact O-CD1 3.42Å; L451-L455 WeakPolarHBondContact O-CG 3.46Å; L451-L455 PolarHBondContact O-N 3.44Å; L451-F537 HydrophobicContact CD2-CE2 4.43Å; L451-F683 HydrophobicContact CB-CE2 4.22Å; L451-F683 HydrophobicContact CD2-CD2 4.31Å; L451-F683 HydrophobicContact CD2-CE2 3.96Å; L451-I686 HydrophobicContact CD1-CG2 3.49Å; L451-I686 VanDerWaalsContact CD1-CG2 3.49Å; L451-I686 HydrophobicContact CD2-CG2 4.18Å; L451-I686 HydrophobicContact CG-CG2 4.5Å; L451-L687 HydrophobicContact CB-CD2 4.03Å; L451-L687 HydrophobicContact CD1-CD2 4.03Å; L451-L687 HydrophobicContact CD1-CG 4.49Å |
| 452 | S | 78.1 | Confident | 75.6 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | N448 G449 L455 K456 | N448-S452 WeakPolarHBondContact O-CA 3.33Å; N448-S452 WeakPolarHBondContact O-CB 3.49Å; N448-S452 PolarHBondContact O-N 3.07Å; G449-S452 PolarHBondContact O-N 3.04Å; S452-L455 PolarHBondContact O-N 2.81Å; S452-K456 WeakPolarHBondContact O-CB 3.43Å; S452-K456 PolarHBondContact O-N 3.06Å |
| 453 | K | 81.6 | Confident | 76.7 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 175.3 | 172.2 | 174.4 | 151.4 | -122 | 0 | 111.9 | G449 E450 L451 S457 | G449-K453 VanDerWaalsContact O-CB 3.28Å; G449-K453 WeakPolarHBondContact O-CB 3.33Å; G449-K453 PolarHBondContact O-N 3.26Å; E450-K453 VanDerWaalsContact CD-NZ 3.34Å; E450-K453 PolarHBondContact O-N 2.87Å; E450-K453 IonicContact OE1-NZ 2.74Å; E450-K453 PolarHBondContact OE1-NZ 2.76Å; E450-K453 WeakPolarHBondContact OE2-CD 3.12Å; E450-K453 IonicContact OE2-NZ 2.89Å; E450-K453 PolarHBondContact OE2-NZ 3.35Å; L451-K453 VanDerWaalsContact C-N 3.35Å; L451-K453 PolarHBondContact O-N 3.2Å; K453-S457 PolarHBondContact O-N 3.26Å; K453-S457 VanDerWaalsContact O-N 3.11Å |
| 454 | Q | 83.6 | Confident | 77.8 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 15% | 0.15 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 176.1 | -68.3 | -175.5 | 25.3 | 0 | 0 | 111.8 | E450 L451 K456 S457 L458 L687 I694 | E450-Q454 WeakPolarHBondContact O-CG 3.21Å; E450-Q454 PolarHBondContact O-N 3.27Å; E450-Q454 PolarHBondContact OE1-NE2 3.33Å; L451-Q454 PolarHBondContact O-N 2.99Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.28Å; Q454-S457 WeakPolarHBondContact O-CB 3.3Å; Q454-S457 PolarHBondContact O-N 3.49Å; Q454-S457 VanDerWaalsContact O-N 3.14Å; Q454-L458 WeakPolarHBondContact O-CB 3.41Å; Q454-L458 PolarHBondContact O-N 3.09Å; Q454-L687 PolarHBondContact OE1-O 2.94Å; Q454-I694 HydrophobicContact CB-CD1 4.06Å; Q454-I694 HydrophobicContact CG-CD1 4.39Å; Q454-I694 WeakPolarHBondContact O-CD1 3.28Å |
| 455 | L | 84.6 | Confident | 79.3 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -41 | 175.7 | -76.9 | 163.4 | 0 | 0 | 0 | 112.8 | L451 S452 L458 V459 I530 | L451-L455 HydrophobicContact CD1-CD1 3.69Å; L451-L455 HydrophobicContact CD1-CG 4.06Å; L451-L455 HydrophobicContact CG-CD1 3.77Å; L451-L455 WeakPolarHBondContact O-CB 3.18Å; L451-L455 WeakPolarHBondContact O-CD1 3.42Å; L451-L455 WeakPolarHBondContact O-CG 3.46Å; L451-L455 PolarHBondContact O-N 3.44Å; S452-L455 PolarHBondContact O-N 2.81Å; L455-L458 PolarHBondContact O-N 3.18Å; L455-V459 WeakPolarHBondContact O-CB 3.4Å; L455-V459 VanDerWaalsContact O-CG2 3.32Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.12Å; L455-I530 HydrophobicContact CD1-CD1 3.62Å; L455-I530 HydrophobicContact CD2-CD1 3.61Å; L455-I530 HydrophobicContact CG-CD1 4.19Å |
| 456 | K | 85.2 | Confident | 80.9 | Confident | 139 Ų | 139 | 53.9 Ų | 53.9 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.4 | -39.2 | 176.3 | -172.7 | 173 | -176.9 | 176.4 | 0 | 111.7 | S452 Q454 N460 | S452-K456 WeakPolarHBondContact O-CB 3.43Å; S452-K456 PolarHBondContact O-N 3.06Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.28Å; K456-N460 WeakPolarHBondContact O-CB 3.12Å; K456-N460 PolarHBondContact O-N 2.94Å; K456-N460 PolarHBondContact O-OD1 3.05Å |
| 457 | S | 87.4 | Confident | 82.1 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 173.3 | -164.9 | 0 | 0 | 0 | 0 | 112.1 | K453 Q454 L461 | K453-S457 PolarHBondContact O-N 3.26Å; K453-S457 VanDerWaalsContact O-N 3.11Å; Q454-S457 WeakPolarHBondContact O-CB 3.3Å; Q454-S457 PolarHBondContact O-N 3.49Å; Q454-S457 VanDerWaalsContact O-N 3.14Å; S457-L461 WeakPolarHBondContact O-CB 3.26Å; S457-L461 WeakPolarHBondContact O-CD1 3.48Å; S457-L461 VanDerWaalsContact O-CG 3.29Å; S457-L461 WeakPolarHBondContact O-CG 3.31Å; S457-L461 PolarHBondContact O-N 3.4Å |
| 458 | L | 90.1 | Very high | 83.6 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 177.2 | 176.7 | 57.9 | 0 | 0 | 0 | 111.9 | Q454 L455 L461 S462 L526 G693 I694 Y697 | Q454-L458 WeakPolarHBondContact O-CB 3.41Å; Q454-L458 PolarHBondContact O-N 3.09Å; L455-L458 PolarHBondContact O-N 3.18Å; L458-L461 PolarHBondContact O-N 2.91Å; L458-S462 WeakPolarHBondContact O-CB 3.37Å; L458-S462 PolarHBondContact O-N 3.48Å; L458-S462 PolarHBondContact O-OG 2.73Å; L458-L526 HydrophobicContact CD2-CD2 4.04Å; L458-G693 VanDerWaalsContact CD1-C 3.47Å; L458-I694 HydrophobicContact CB-CG1 3.99Å; L458-Y697 HydrophobicContact CD1-CD2 3.79Å; L458-Y697 HydrophobicContact CD1-CE2 4.04Å |
| 459 | V | 88.1 | Confident | 84.9 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 177.4 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | L455 L461 S462 V463 | L455-V459 WeakPolarHBondContact O-CB 3.4Å; L455-V459 VanDerWaalsContact O-CG2 3.32Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.12Å; V459-L461 PolarHBondContact O-N 2.89Å; V459-S462 PolarHBondContact O-N 3.37Å; V459-S462 PolarHBondContact O-OG 2.71Å; V459-V463 PolarHBondContact O-N 3.35Å; V459-V463 VanDerWaalsContact O-N 3.1Å |
| 460 | N | 89.9 | Confident | 85.8 | Confident | 89 Ų | 89 | 57 Ų | 57 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55 | -52.5 | 177 | -74.7 | 11.2 | 0 | 0 | 0 | 111.4 | K456 S462 V463 D464 | K456-N460 WeakPolarHBondContact O-CB 3.12Å; K456-N460 PolarHBondContact O-N 2.94Å; K456-N460 PolarHBondContact O-OD1 3.05Å; N460-S462 VanDerWaalsContact C-N 3.27Å; N460-S462 PolarHBondContact O-N 2.67Å; N460-V463 PolarHBondContact O-N 3.45Å; N460-V463 VanDerWaalsContact O-N 3.07Å; N460-D464 VanDerWaalsContact O-CG 3.31Å; N460-D464 PolarHBondContact O-N 3.09Å |
| 461 | L | 90.8 | Very high | 86.7 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -29.5 | -179.4 | -71.1 | 167.6 | 0 | 0 | 0 | 113.2 | S457 L458 V459 G465 I694 Y697 N698 I701 | S457-L461 WeakPolarHBondContact O-CB 3.26Å; S457-L461 WeakPolarHBondContact O-CD1 3.48Å; S457-L461 VanDerWaalsContact O-CG 3.29Å; S457-L461 WeakPolarHBondContact O-CG 3.31Å; S457-L461 PolarHBondContact O-N 3.4Å; L458-L461 PolarHBondContact O-N 2.91Å; V459-L461 PolarHBondContact O-N 2.89Å; L461-G465 PolarHBondContact O-N 2.79Å; L461-I694 HydrophobicContact CD1-CB 4.39Å; L461-I694 HydrophobicContact CD1-CG2 3.81Å; L461-Y697 HydrophobicContact CB-CG 4.44Å; L461-N698 WeakPolarHBondContact CD1-ND2 3.48Å; L461-I701 HydrophobicContact CD2-CD1 3.93Å |
| 462 | S | 89.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.3 | -34.7 | 173.4 | 70.2 | 0 | 0 | 0 | 0 | 113 | L458 V459 N460 D466 | L458-S462 WeakPolarHBondContact O-CB 3.37Å; L458-S462 PolarHBondContact O-N 3.48Å; L458-S462 PolarHBondContact O-OG 2.73Å; V459-S462 PolarHBondContact O-N 3.37Å; V459-S462 PolarHBondContact O-OG 2.71Å; N460-S462 VanDerWaalsContact C-N 3.27Å; N460-S462 PolarHBondContact O-N 2.67Å; S462-D466 PolarHBondContact O-N 2.69Å; S462-D466 VanDerWaalsContact O-N 3.12Å |
| 463 | V | 90.2 | Very high | 87.8 | Confident | 90 Ų | 90 | 57 Ų | 57 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.5 | -41.4 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111 | V459 N460 D466 S467 | V459-V463 PolarHBondContact O-N 3.35Å; V459-V463 VanDerWaalsContact O-N 3.1Å; N460-V463 PolarHBondContact O-N 3.45Å; N460-V463 VanDerWaalsContact O-N 3.07Å; V463-D466 PolarHBondContact O-N 2.97Å; V463-S467 PolarHBondContact O-N 2.94Å |
| 464 | D | 87.7 | Confident | 88 | Confident | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57 | -51.6 | 173.5 | -66.2 | -26.8 | 0 | 0 | 0 | 109.6 | N460 D466 S467 E468 I701 | N460-D464 VanDerWaalsContact O-CG 3.31Å; N460-D464 PolarHBondContact O-N 3.09Å; D464-D466 PolarHBondContact O-N 2.81Å; D464-S467 PolarHBondContact O-N 2.89Å; D464-S467 VanDerWaalsContact O-N 3.09Å; D464-S467 PolarHBondContact O-OG 2.98Å; D464-E468 WeakPolarHBondContact O-CG 3.24Å; D464-E468 PolarHBondContact O-N 3.43Å; D464-E468 VanDerWaalsContact O-N 3.11Å; D464-I701 HydrophobicContact CB-CD1 3.88Å |
| 465 | G | 88.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L461 S467 E468 F469 | L461-G465 PolarHBondContact O-N 2.79Å; G465-S467 VanDerWaalsContact C-N 3.31Å; G465-S467 PolarHBondContact O-N 3.46Å; G465-E468 PolarHBondContact O-N 3.04Å; G465-F469 VanDerWaalsContact O-CD2 3.22Å; G465-F469 WeakPolarHBondContact O-CD2 3.25Å; G465-F469 PolarHBondContact O-N 2.82Å |
| 466 | D | 88.7 | Confident | 88.2 | Confident | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 176 | -86 | -5.6 | 0 | 0 | 0 | 113.2 | S462 V463 D464 F469 E470 N516 K520 | S462-D466 PolarHBondContact O-N 2.69Å; S462-D466 VanDerWaalsContact O-N 3.12Å; V463-D466 PolarHBondContact O-N 2.97Å; D464-D466 PolarHBondContact O-N 2.81Å; D466-F469 PolarHBondContact O-N 3.39Å; D466-E470 PolarHBondContact O-N 3.12Å; D466-E470 VanDerWaalsContact O-N 3.1Å; D466-N516 PolarHBondContact OD1-ND2 2.85Å; D466-K520 VanDerWaalsContact CG-CE 3.5Å; D466-K520 WeakPolarHBondContact OD1-CE 3.23Å; D466-K520 IonicContact OD1-NZ 3.2Å; D466-K520 PolarHBondContact OD1-NZ 3.38Å; D466-K520 WeakPolarHBondContact OD2-CE 3.4Å; D466-K520 IonicContact OD2-NZ 2.62Å; D466-K520 PolarHBondContact OD2-NZ 3.1Å |
| 467 | S | 88.1 | Confident | 88.2 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 177 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | V463 D464 G465 E470 N471 | V463-S467 PolarHBondContact O-N 2.94Å; D464-S467 PolarHBondContact O-N 2.89Å; D464-S467 VanDerWaalsContact O-N 3.09Å; D464-S467 PolarHBondContact O-OG 2.98Å; G465-S467 VanDerWaalsContact C-N 3.31Å; G465-S467 PolarHBondContact O-N 3.46Å; S467-E470 PolarHBondContact O-N 2.99Å; S467-N471 VanDerWaalsContact O-CG 3.24Å; S467-N471 PolarHBondContact O-N 2.82Å; S467-N471 VanDerWaalsContact O-N 3.14Å; S467-N471 PolarHBondContact O-ND2 3.21Å; S467-N471 VanDerWaalsContact O-ND2 3.11Å |
| 468 | E | 87.7 | Confident | 88 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 174.7 | -56.7 | -67.2 | 170.6 | 0 | 0 | 111.1 | D464 G465 L472 I701 L704 K705 | D464-E468 WeakPolarHBondContact O-CG 3.24Å; D464-E468 PolarHBondContact O-N 3.43Å; D464-E468 VanDerWaalsContact O-N 3.11Å; G465-E468 PolarHBondContact O-N 3.04Å; E468-L472 WeakPolarHBondContact O-CB 3.22Å; E468-L472 PolarHBondContact O-N 3.27Å; E468-I701 HydrophobicContact CG-CG2 4.48Å; E468-L704 HydrophobicContact CB-CB 4.3Å; E468-L704 HydrophobicContact CB-CD1 3.93Å; E468-K705 WeakPolarHBondContact OE1-CE 3.39Å; E468-K705 IonicContact OE1-NZ 2.72Å; E468-K705 PolarHBondContact OE1-NZ 3.45Å; E468-K705 WeakPolarHBondContact OE2-CE 3.43Å |
| 469 | F | 90.7 | Very high | 87.7 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 173.6 | -87.6 | -71.1 | 0 | 0 | 0 | 113.1 | G465 D466 L472 S473 F509 L512 S513 N516 L700 L704 | G465-F469 VanDerWaalsContact O-CD2 3.22Å; G465-F469 WeakPolarHBondContact O-CD2 3.25Å; G465-F469 PolarHBondContact O-N 2.82Å; D466-F469 PolarHBondContact O-N 3.39Å; F469-L472 PolarHBondContact O-N 3.26Å; F469-S473 WeakPolarHBondContact O-CB 3.42Å; F469-S473 PolarHBondContact O-N 3.35Å; F469-F509 AromaticContact CD1-CE2 3.93Å; F469-F509 HydrophobicContact CD1-CE2 3.93Å; F469-F509 HydrophobicContact CD1-CZ 4.2Å; F469-L512 HydrophobicContact CE1-CB 3.88Å; F469-L512 VanDerWaalsContact CZ-C 3.42Å; F469-L512 HydrophobicContact CZ-CB 3.84Å; F469-L512 VanDerWaalsContact CZ-O 3.3Å; F469-L512 WeakPolarHBondContact CZ-O 3.4Å; F469-S513 VanDerWaalsContact CE1-CA 3.48Å; F469-N516 HydrophobicContact CD2-CB 4.19Å; F469-N516 WeakPolarHBondContact CD2-ND2 3.15Å; F469-N516 HydrophobicContact CE2-CB 3.42Å; F469-N516 VanDerWaalsContact CE2-CB 3.42Å; F469-N516 VanDerWaalsContact CE2-ND2 3.3Å; F469-N516 WeakPolarHBondContact CE2-ND2 3.45Å; F469-N516 HydrophobicContact CZ-CB 3.77Å; F469-L700 HydrophobicContact CE2-CD2 3.98Å; F469-L700 HydrophobicContact CE2-CG 4.3Å; F469-L700 HydrophobicContact CZ-CD1 4.31Å; F469-L700 HydrophobicContact CZ-CD2 4.46Å; F469-L704 HydrophobicContact CD1-CD2 3.84Å; F469-L704 HydrophobicContact CD2-CD1 3.74Å; F469-L704 HydrophobicContact CD2-CD2 4.47Å; F469-L704 HydrophobicContact CE1-CD1 4.39Å; F469-L704 HydrophobicContact CE1-CD2 3.49Å; F469-L704 VanDerWaalsContact CE1-CD2 3.49Å; F469-L704 HydrophobicContact CE2-CD1 3.51Å; F469-L704 HydrophobicContact CE2-CD2 4.15Å; F469-L704 HydrophobicContact CE2-CG 4.36Å; F469-L704 HydrophobicContact CG-CD1 4.24Å; F469-L704 HydrophobicContact CG-CD2 4.31Å; F469-L704 HydrophobicContact CZ-CD1 3.87Å; F469-L704 HydrophobicContact CZ-CD2 3.65Å; F469-L704 HydrophobicContact CZ-CG 4.22Å |
| 470 | E | 87.2 | Confident | 87.5 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | -178.3 | -172.4 | 65.7 | -174.9 | 0 | 0 | 111.1 | D466 S467 L472 S473 I474 | D466-E470 PolarHBondContact O-N 3.12Å; D466-E470 VanDerWaalsContact O-N 3.1Å; S467-E470 PolarHBondContact O-N 2.99Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.34Å; E470-S473 WeakPolarHBondContact O-CB 3.28Å; E470-S473 PolarHBondContact O-N 3.38Å; E470-I474 WeakPolarHBondContact O-CG1 3.29Å; E470-I474 PolarHBondContact O-N 3.26Å; E470-I474 VanDerWaalsContact O-N 3.1Å |
| 471 | N | 87.2 | Confident | 87.2 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 173.7 | -70.2 | -29.9 | 0 | 0 | 0 | 111.8 | S467 I474 K475 | S467-N471 VanDerWaalsContact O-CG 3.24Å; S467-N471 PolarHBondContact O-N 2.82Å; S467-N471 VanDerWaalsContact O-N 3.14Å; S467-N471 PolarHBondContact O-ND2 3.21Å; S467-N471 VanDerWaalsContact O-ND2 3.11Å; N471-I474 PolarHBondContact O-N 3.05Å; N471-K475 PolarHBondContact O-N 2.84Å |
| 472 | L | 87.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.3 | -31.6 | -178.4 | -169.7 | 61.1 | 0 | 0 | 0 | 112.4 | E468 F469 E470 M476 F509 L704 L707 D708 I711 | E468-L472 WeakPolarHBondContact O-CB 3.22Å; E468-L472 PolarHBondContact O-N 3.27Å; F469-L472 PolarHBondContact O-N 3.26Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.34Å; L472-M476 VanDerWaalsContact O-CB 3.26Å; L472-M476 WeakPolarHBondContact O-CB 3.45Å; L472-M476 PolarHBondContact O-N 2.88Å; L472-F509 HydrophobicContact CB-CD2 4.45Å; L472-F509 HydrophobicContact CB-CE2 4Å; L472-F509 HydrophobicContact CD2-CD2 3.77Å; L472-F509 HydrophobicContact CD2-CE2 4.04Å; L472-F509 HydrophobicContact CG-CD2 3.84Å; L472-F509 HydrophobicContact CG-CE2 3.9Å; L472-L704 HydrophobicContact CD2-CB 4.46Å; L472-L704 HydrophobicContact CD2-CD2 3.73Å; L472-L707 HydrophobicContact CD2-CB 4.38Å; L472-L707 HydrophobicContact CD2-CD2 4.07Å; L472-L707 HydrophobicContact CD2-CG 4.19Å; L472-D708 HydrophobicContact CD1-CB 3.91Å; L472-D708 WeakPolarHBondContact CD1-OD1 3.48Å; L472-I711 HydrophobicContact CD1-CD1 3.83Å |
| 473 | S | 88.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 172.8 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | F469 E470 M476 K477 | F469-S473 WeakPolarHBondContact O-CB 3.42Å; F469-S473 PolarHBondContact O-N 3.35Å; E470-S473 WeakPolarHBondContact O-CB 3.28Å; E470-S473 PolarHBondContact O-N 3.38Å; S473-M476 PolarHBondContact O-N 3.07Å; S473-K477 PolarHBondContact O-N 3.37Å |
| 474 | I | 87 | Confident | 85.7 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -52.5 | 176.4 | -65.2 | 163.7 | 0 | 0 | 0 | 110.1 | E470 N471 M476 K477 D478 | E470-I474 WeakPolarHBondContact O-CG1 3.29Å; E470-I474 PolarHBondContact O-N 3.26Å; E470-I474 VanDerWaalsContact O-N 3.1Å; N471-I474 PolarHBondContact O-N 3.05Å; I474-M476 VanDerWaalsContact C-N 3.27Å; I474-M476 PolarHBondContact O-N 2.78Å; I474-K477 WeakPolarHBondContact O-CB 3.41Å; I474-K477 PolarHBondContact O-N 3.42Å; I474-K477 VanDerWaalsContact O-N 3.11Å; I474-D478 PolarHBondContact O-N 3.48Å |
| 475 | K | 86.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 176.5 | -69.9 | -173.6 | -175.9 | -177.8 | 0 | 112.7 | N471 K477 D478 V479 D708 I711 D712 | N471-K475 PolarHBondContact O-N 2.84Å; K475-K477 VanDerWaalsContact C-N 3.33Å; K475-D478 PolarHBondContact O-N 2.91Å; K475-V479 WeakPolarHBondContact O-CG2 3.32Å; K475-V479 PolarHBondContact O-N 3.49Å; K475-D708 VanDerWaalsContact CD-OD1 3.26Å; K475-D708 WeakPolarHBondContact CD-OD1 3.44Å; K475-D708 VanDerWaalsContact CE-OD1 3.3Å; K475-D708 WeakPolarHBondContact CE-OD1 3.27Å; K475-D708 IonicContact NZ-OD1 2.78Å; K475-D708 PolarHBondContact NZ-OD1 2.97Å; K475-D708 IonicContact NZ-OD2 2.82Å; K475-D708 PolarHBondContact NZ-OD2 3.43Å; K475-I711 HydrophobicContact CB-CG2 4Å; K475-I711 HydrophobicContact CD-CG2 4.42Å; K475-D712 WeakPolarHBondContact CD-OD1 3.5Å; K475-D712 VanDerWaalsContact CE-OD1 3.26Å; K475-D712 WeakPolarHBondContact CE-OD1 3.35Å; K475-D712 IonicContact NZ-OD1 3.72Å; K475-D712 PolarHBondContact NZ-OD1 2.89Å; K475-D712 IonicContact NZ-OD2 3.58Å; K475-D712 PolarHBondContact NZ-OD2 3.24Å |
| 476 | M | 86 | Confident | 84.4 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -36.2 | 179.1 | -167.5 | 62.4 | -159.4 | 0 | 0 | 111.7 | L472 S473 I474 V479 E480 V502 F505 K506 I711 | L472-M476 VanDerWaalsContact O-CB 3.26Å; L472-M476 WeakPolarHBondContact O-CB 3.45Å; L472-M476 PolarHBondContact O-N 2.88Å; S473-M476 PolarHBondContact O-N 3.07Å; I474-M476 VanDerWaalsContact C-N 3.27Å; I474-M476 PolarHBondContact O-N 2.78Å; M476-V479 WeakPolarHBondContact O-CB 3.27Å; M476-V479 PolarHBondContact O-N 2.91Å; M476-E480 WeakPolarHBondContact O-CG 3.37Å; M476-E480 PolarHBondContact O-N 3.32Å; M476-E480 VanDerWaalsContact O-N 3.16Å; M476-V502 HydrophobicContact CE-CG1 4.23Å; M476-F505 HydrophobicContact CE-CB 3.75Å; M476-F505 HydrophobicContact SD-CB 3.88Å; M476-K506 HydrophobicContact CE-CB 4.29Å; M476-K506 HydrophobicContact CE-CG 3.42Å; M476-K506 VanDerWaalsContact CE-CG 3.42Å; M476-I711 HydrophobicContact SD-CD1 3.73Å; M476-I711 HydrophobicContact SD-CG1 4.5Å |
| 477 | K | 85.4 | Confident | 83.9 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 171.7 | -175.8 | 176 | 172.4 | -64.4 | 0 | 111.9 | S473 I474 K475 V479 E480 E481 | S473-K477 PolarHBondContact O-N 3.37Å; I474-K477 WeakPolarHBondContact O-CB 3.41Å; I474-K477 PolarHBondContact O-N 3.42Å; I474-K477 VanDerWaalsContact O-N 3.11Å; K475-K477 VanDerWaalsContact C-N 3.33Å; K477-V479 PolarHBondContact O-N 3.5Å; K477-E480 WeakPolarHBondContact O-CB 3.11Å; K477-E480 PolarHBondContact O-N 3.17Å; K477-E481 IonicContact NZ-OE1 2.64Å; K477-E481 PolarHBondContact NZ-OE1 3.33Å; K477-E481 PolarHBondContact O-N 2.92Å |
| 478 | D | 83.4 | Confident | 83.3 | Confident | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.1 | -65.5 | -18.8 | 0 | 0 | 0 | 111.3 | I474 K475 E480 E481 F482 | I474-D478 PolarHBondContact O-N 3.48Å; K475-D478 PolarHBondContact O-N 2.91Å; D478-E480 VanDerWaalsContact C-N 3.27Å; D478-E480 PolarHBondContact O-N 2.68Å; D478-E481 PolarHBondContact O-N 3.1Å; D478-F482 HydrophobicContact CB-CD2 4.38Å; D478-F482 HydrophobicContact CB-CE2 4.44Å; D478-F482 WeakPolarHBondContact O-CB 3.48Å; D478-F482 WeakPolarHBondContact O-CD2 3.46Å; D478-F482 PolarHBondContact O-N 3.12Å |
| 479 | V | 83.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 173.4 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | K475 M476 K477 F483 V502 I711 F714 I715 | K475-V479 WeakPolarHBondContact O-CG2 3.32Å; K475-V479 PolarHBondContact O-N 3.49Å; M476-V479 WeakPolarHBondContact O-CB 3.27Å; M476-V479 PolarHBondContact O-N 2.91Å; K477-V479 PolarHBondContact O-N 3.5Å; V479-F483 WeakPolarHBondContact O-CB 3.39Å; V479-F483 PolarHBondContact O-N 3.43Å; V479-V502 HydrophobicContact CG1-CG1 4.46Å; V479-V502 HydrophobicContact CG1-CG2 3.91Å; V479-I711 HydrophobicContact CG2-CG2 3.89Å; V479-F714 HydrophobicContact CG1-CD1 4.09Å; V479-F714 HydrophobicContact CG1-CE1 3.96Å; V479-I715 HydrophobicContact CG2-CD1 3.85Å; V479-I715 HydrophobicContact CG2-CG1 3.52Å |
| 480 | E | 83.6 | Confident | 81.1 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 177.3 | -67.9 | -175.5 | -158.3 | 0 | 0 | 112 | M476 K477 D478 F483 D484 K506 | M476-E480 WeakPolarHBondContact O-CG 3.37Å; M476-E480 PolarHBondContact O-N 3.32Å; M476-E480 VanDerWaalsContact O-N 3.16Å; K477-E480 WeakPolarHBondContact O-CB 3.11Å; K477-E480 PolarHBondContact O-N 3.17Å; D478-E480 VanDerWaalsContact C-N 3.27Å; D478-E480 PolarHBondContact O-N 2.68Å; E480-F483 PolarHBondContact O-N 3.12Å; E480-D484 PolarHBondContact O-N 3.21Å; E480-K506 VanDerWaalsContact CD-CE 3.41Å; E480-K506 WeakPolarHBondContact OE1-CE 3.31Å; E480-K506 IonicContact OE1-NZ 2.93Å; E480-K506 PolarHBondContact OE1-NZ 3.14Å; E480-K506 IonicContact OE2-NZ 2.59Å; E480-K506 PolarHBondContact OE2-NZ 2.77Å |
| 481 | E | 82.5 | Confident | 79.8 | Confident | 112 Ų | 112 | 59 Ų | 59 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 178.8 | -69.5 | -176.3 | -157.3 | 0 | 0 | 112.5 | K477 D478 M485 | K477-E481 IonicContact NZ-OE1 2.64Å; K477-E481 PolarHBondContact NZ-OE1 3.33Å; K477-E481 PolarHBondContact O-N 2.92Å; D478-E481 PolarHBondContact O-N 3.1Å; E481-M485 WeakPolarHBondContact O-CB 3.05Å; E481-M485 PolarHBondContact O-N 3.39Å; E481-M485 VanDerWaalsContact O-N 3.12Å |
| 482 | F | 78.5 | Confident | 78.6 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 172.1 | -81.1 | -64.5 | 0 | 0 | 0 | 112.4 | D478 M485 L486 L718 | D478-F482 HydrophobicContact CB-CD2 4.38Å; D478-F482 HydrophobicContact CB-CE2 4.44Å; D478-F482 WeakPolarHBondContact O-CB 3.48Å; D478-F482 WeakPolarHBondContact O-CD2 3.46Å; D478-F482 PolarHBondContact O-N 3.12Å; F482-M485 HydrophobicContact CD1-CE 3.85Å; F482-M485 HydrophobicContact CE1-CE 4.18Å; F482-L486 PolarHBondContact O-N 3.41Å; F482-L718 HydrophobicContact CB-CD1 4.24Å |
| 483 | F | 81 | Confident | 77.3 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 178.7 | 176.9 | -101.8 | 0 | 0 | 0 | 112.1 | V479 E480 M485 L486 V487 F498 N499 V502 | V479-F483 WeakPolarHBondContact O-CB 3.39Å; V479-F483 PolarHBondContact O-N 3.43Å; E480-F483 PolarHBondContact O-N 3.12Å; F483-M485 VanDerWaalsContact C-N 3.31Å; F483-M485 PolarHBondContact O-N 2.98Å; F483-L486 WeakPolarHBondContact O-CB 3.38Å; F483-L486 PolarHBondContact O-N 2.85Å; F483-L486 VanDerWaalsContact O-N 3.09Å; F483-V487 HydrophobicContact CD1-CG2 4.01Å; F483-V487 HydrophobicContact CD2-CG2 4.35Å; F483-V487 HydrophobicContact CE1-CG2 3.51Å; F483-V487 HydrophobicContact CE2-CG2 3.87Å; F483-V487 HydrophobicContact CG-CG2 4.41Å; F483-V487 HydrophobicContact CZ-CG2 3.41Å; F483-V487 VanDerWaalsContact CZ-CG2 3.41Å; F483-V487 WeakPolarHBondContact O-CG2 3.19Å; F483-V487 PolarHBondContact O-N 2.85Å; F483-F498 HydrophobicContact CD2-CB 4.1Å; F483-F498 HydrophobicContact CE2-CB 3.77Å; F483-N499 HydrophobicContact CE1-CB 4.48Å; F483-N499 HydrophobicContact CE2-CB 4.24Å; F483-N499 HydrophobicContact CZ-CB 3.64Å; F483-V502 HydrophobicContact CB-CG2 4.3Å; F483-V502 HydrophobicContact CD2-CG2 4.1Å; F483-V502 HydrophobicContact CG-CG2 4.08Å |
| 484 | D | 79.8 | Confident | 76 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 177.3 | -85.4 | -3.8 | 0 | 0 | 0 | 111.9 | E480 V487 T488 | E480-D484 PolarHBondContact O-N 3.21Å; D484-V487 PolarHBondContact O-N 2.76Å; D484-T488 WeakPolarHBondContact O-CB 3.44Å; D484-T488 PolarHBondContact O-N 2.99Å; D484-T488 PolarHBondContact O-OG1 3.4Å |
| 485 | M | 77.8 | Confident | 75.1 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 170.9 | -178.9 | 161.3 | 50.4 | 0 | 0 | 112.3 | E481 F482 F483 T489 L722 | E481-M485 WeakPolarHBondContact O-CB 3.05Å; E481-M485 PolarHBondContact O-N 3.39Å; E481-M485 VanDerWaalsContact O-N 3.12Å; F482-M485 HydrophobicContact CD1-CE 3.85Å; F482-M485 HydrophobicContact CE1-CE 4.18Å; F483-M485 VanDerWaalsContact C-N 3.31Å; F483-M485 PolarHBondContact O-N 2.98Å; M485-T489 WeakPolarHBondContact O-CB 3.23Å; M485-T489 PolarHBondContact O-N 2.91Å; M485-T489 PolarHBondContact O-OG1 3.5Å; M485-L722 HydrophobicContact CE-CD2 4.08Å; M485-L722 HydrophobicContact CG-CD1 4.44Å |
| 486 | L | 72.6 | Confident | 74.4 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 174.5 | -173.1 | 74.6 | 0 | 0 | 0 | 112.1 | F482 F483 T489 K490 T495 L718 Q721 L722 | F482-L486 PolarHBondContact O-N 3.41Å; F483-L486 WeakPolarHBondContact O-CB 3.38Å; F483-L486 PolarHBondContact O-N 2.85Å; F483-L486 VanDerWaalsContact O-N 3.09Å; L486-T489 PolarHBondContact O-N 3.25Å; L486-K490 HydrophobicContact CD1-CD 4.04Å; L486-K490 HydrophobicContact CD1-CG 4.34Å; L486-K490 PolarHBondContact O-N 2.89Å; L486-T495 HydrophobicContact CD2-CG2 4.05Å; L486-T495 HydrophobicContact CG-CG2 4.03Å; L486-L718 HydrophobicContact CD2-CD2 3.76Å; L486-Q721 HydrophobicContact CD1-CB 4.2Å; L486-L722 HydrophobicContact CD1-CD1 4.01Å |
| 487 | V | 77.7 | Confident | 74 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | F483 D484 T489 G491 T495 | F483-V487 HydrophobicContact CD1-CG2 4.01Å; F483-V487 HydrophobicContact CD2-CG2 4.35Å; F483-V487 HydrophobicContact CE1-CG2 3.51Å; F483-V487 HydrophobicContact CE2-CG2 3.87Å; F483-V487 HydrophobicContact CG-CG2 4.41Å; F483-V487 HydrophobicContact CZ-CG2 3.41Å; F483-V487 VanDerWaalsContact CZ-CG2 3.41Å; F483-V487 WeakPolarHBondContact O-CG2 3.19Å; F483-V487 PolarHBondContact O-N 2.85Å; D484-V487 PolarHBondContact O-N 2.76Å; V487-T489 VanDerWaalsContact C-N 3.27Å; V487-T489 PolarHBondContact O-N 3.37Å; V487-G491 WeakPolarHBondContact O-CA 3.49Å; V487-G491 PolarHBondContact O-N 3.13Å; V487-T495 HydrophobicContact CG2-CG2 4.11Å |
| 488 | T | 75.9 | Confident | 73.6 | Confident | 121 Ų | 121 | 72.1 Ų | 72.1 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.6 | -34.4 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 112 | D484 | D484-T488 WeakPolarHBondContact O-CB 3.44Å; D484-T488 PolarHBondContact O-N 2.99Å; D484-T488 PolarHBondContact O-OG1 3.4Å |
| 489 | T | 68.1 | Low | 73.5 | Confident | 65 Ų | 65 | 73 Ų | 73 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -84.1 | -40.8 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | M485 L486 V487 M726 | M485-T489 WeakPolarHBondContact O-CB 3.23Å; M485-T489 PolarHBondContact O-N 2.91Å; M485-T489 PolarHBondContact O-OG1 3.5Å; L486-T489 PolarHBondContact O-N 3.25Å; V487-T489 VanDerWaalsContact C-N 3.27Å; V487-T489 PolarHBondContact O-N 3.37Å; T489-M726 HydrophobicContact CG2-CE 4.41Å |
| 490 | K | 64.5 | Low | 73.6 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -105.6 | -9.7 | -173.6 | -67 | -166.2 | -174.9 | -173.7 | 0 | 115.4 | L486 Q721 S725 | L486-K490 HydrophobicContact CD1-CD 4.04Å; L486-K490 HydrophobicContact CD1-CG 4.34Å; L486-K490 PolarHBondContact O-N 2.89Å; K490-Q721 WeakPolarHBondContact CE-O 3.39Å; K490-Q721 PolarHBondContact NZ-O 3Å; K490-S725 WeakPolarHBondContact CE-OG 3.32Å |
| 491 | G | 58.7 | Low | 73.6 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | trans | 77.3 | 151.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V487 E493 K494 | V487-G491 WeakPolarHBondContact O-CA 3.49Å; V487-G491 PolarHBondContact O-N 3.13Å; G491-E493 PolarHBondContact O-N 2.64Å; G491-K494 PolarHBondContact O-N 3.04Å | ||
| 492 | S | 62.5 | Low | 73.7 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.2 | -164.8 | 62.4 | 0 | 0 | 0 | 0 | 116.2 | K496 | S492-K496 WeakPolarHBondContact O-CG 3.34Š|
| 493 | E | 60.4 | Low | 74.1 | Confident | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -41 | 176 | -71.2 | -117.3 | 96.6 | 0 | 0 | 112.7 | G491 T495 K496 | G491-E493 PolarHBondContact O-N 2.64Å; E493-T495 VanDerWaalsContact C-N 3.34Å; E493-K496 IonicContact OE1-NZ 2.6Å; E493-K496 PolarHBondContact OE1-NZ 3.21Å |
| 494 | K | 61 | Low | 74.6 | Confident | 164 Ų | 164 | 77.8 Ų | 77.8 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12.8 | -176.4 | -71.2 | -176.1 | 176.7 | -179.5 | 0 | 113.4 | G491 | G491-K494 PolarHBondContact O-N 3.04Š|
| 495 | T | 67.7 | Low | 75.1 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.7 | -177.9 | 54 | 0 | 0 | 0 | 0 | 114.5 | L486 V487 E493 N497 F498 N499 | L486-T495 HydrophobicContact CD2-CG2 4.05Å; L486-T495 HydrophobicContact CG-CG2 4.03Å; V487-T495 HydrophobicContact CG2-CG2 4.11Å; E493-T495 VanDerWaalsContact C-N 3.34Å; T495-N497 VanDerWaalsContact C-N 3.32Å; T495-N497 PolarHBondContact O-N 3.22Å; T495-F498 PolarHBondContact O-N 3.45Å; T495-F498 VanDerWaalsContact O-N 3.1Å; T495-N499 PolarHBondContact O-N 3.07Å |
| 496 | K | 72.8 | Confident | 75.6 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.1 | -43.2 | -176.3 | -70.4 | 176.4 | 179.2 | 163.9 | 0 | 114 | S492 E493 N499 V500 | S492-K496 WeakPolarHBondContact O-CG 3.34Å; E493-K496 IonicContact OE1-NZ 2.6Å; E493-K496 PolarHBondContact OE1-NZ 3.21Å; K496-N499 WeakPolarHBondContact O-CB 3.28Å; K496-N499 PolarHBondContact O-N 2.95Å; K496-V500 PolarHBondContact O-N 3.4Å |
| 497 | N | 75.8 | Confident | 76.4 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | -179.6 | -67.5 | 9.6 | 0 | 0 | 0 | 112.3 | T495 N499 V500 I501 | T495-N497 VanDerWaalsContact C-N 3.32Å; T495-N497 PolarHBondContact O-N 3.22Å; N497-N499 VanDerWaalsContact C-N 3.33Å; N497-N499 PolarHBondContact O-N 3.35Å; N497-V500 PolarHBondContact O-N 3Å; N497-I501 PolarHBondContact O-N 3.14Å |
| 498 | F | 79 | Confident | 77.1 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 177.2 | -66.7 | -84.3 | 0 | 0 | 0 | 111.5 | F483 T495 V500 I501 V502 F714 L718 Q721 | F483-F498 HydrophobicContact CD2-CB 4.1Å; F483-F498 HydrophobicContact CE2-CB 3.77Å; T495-F498 PolarHBondContact O-N 3.45Å; T495-F498 VanDerWaalsContact O-N 3.1Å; F498-V500 VanDerWaalsContact C-N 3.32Å; F498-V500 PolarHBondContact O-N 3.12Å; F498-I501 PolarHBondContact O-N 2.91Å; F498-I501 VanDerWaalsContact O-N 3.13Å; F498-V502 WeakPolarHBondContact O-CG2 3.36Å; F498-V502 PolarHBondContact O-N 2.97Å; F498-F714 HydrophobicContact CB-CZ 4.21Å; F498-F714 AromaticContact CD1-CE2 3.64Å; F498-F714 HydrophobicContact CD1-CE2 3.64Å; F498-F714 AromaticContact CD1-CZ 3.82Å; F498-F714 HydrophobicContact CD1-CZ 3.82Å; F498-F714 HydrophobicContact CE1-CE2 4.33Å; F498-L718 HydrophobicContact CD1-CD2 3.77Å; F498-L718 HydrophobicContact CE1-CD2 4.29Å; F498-L718 HydrophobicContact CG-CD2 4.36Å; F498-Q721 HydrophobicContact CE1-CG 4.31Å; F498-Q721 HydrophobicContact CE2-CG 4.33Å; F498-Q721 HydrophobicContact CZ-CG 3.7Å |
| 499 | N | 81.2 | Confident | 77.9 | Confident | 84 Ų | 84 | 76 Ų | 76 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 176.1 | -163.4 | -10.7 | 0 | 0 | 0 | 112.5 | F483 T495 K496 N497 I501 V502 K503 | F483-N499 HydrophobicContact CE1-CB 4.48Å; F483-N499 HydrophobicContact CE2-CB 4.24Å; F483-N499 HydrophobicContact CZ-CB 3.64Å; T495-N499 PolarHBondContact O-N 3.07Å; K496-N499 WeakPolarHBondContact O-CB 3.28Å; K496-N499 PolarHBondContact O-N 2.95Å; N497-N499 VanDerWaalsContact C-N 3.33Å; N497-N499 PolarHBondContact O-N 3.35Å; N499-I501 VanDerWaalsContact C-N 3.31Å; N499-I501 PolarHBondContact O-N 3.07Å; N499-V502 PolarHBondContact O-N 2.86Å; N499-K503 WeakPolarHBondContact O-CB 3.34Å; N499-K503 PolarHBondContact O-N 2.91Å |
| 500 | V | 84.2 | Confident | 79 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 62% | 0.624 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.2 | -36.8 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | K496 N497 F498 N504 | K496-V500 PolarHBondContact O-N 3.4Å; N497-V500 PolarHBondContact O-N 3Å; F498-V500 VanDerWaalsContact C-N 3.32Å; F498-V500 PolarHBondContact O-N 3.12Å; V500-N504 WeakPolarHBondContact O-CB 3.2Å; V500-N504 PolarHBondContact O-N 3.06Å |
| 501 | I | 83.5 | Confident | 80.3 | Confident | 69 Ų | 69 | 81 Ų | 81 | 35% | 0.354 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.2 | -48.4 | 178.4 | -61.6 | 165.2 | 0 | 0 | 0 | 110.5 | N497 F498 N499 K503 N504 F505 F714 | N497-I501 PolarHBondContact O-N 3.14Å; F498-I501 PolarHBondContact O-N 2.91Å; F498-I501 VanDerWaalsContact O-N 3.13Å; N499-I501 VanDerWaalsContact C-N 3.31Å; N499-I501 PolarHBondContact O-N 3.07Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 3.48Å; I501-N504 WeakPolarHBondContact O-CB 3.39Å; I501-N504 PolarHBondContact O-N 3.3Å; I501-N504 VanDerWaalsContact O-N 3.1Å; I501-F505 HydrophobicContact CG2-CD2 4.07Å; I501-F505 HydrophobicContact CG2-CE2 3.57Å; I501-F505 HydrophobicContact CG2-CZ 3.84Å; I501-F505 PolarHBondContact O-N 3.14Å; I501-F714 HydrophobicContact CB-CD2 4.44Å; I501-F714 HydrophobicContact CB-CE2 3.74Å; I501-F714 HydrophobicContact CB-CZ 4.02Å; I501-F714 HydrophobicContact CD1-CD2 4.46Å; I501-F714 HydrophobicContact CD1-CE2 3.84Å; I501-F714 HydrophobicContact CG1-CE2 4.4Å; I501-F714 HydrophobicContact CG2-CD2 3.67Å; I501-F714 HydrophobicContact CG2-CE2 3.45Å; I501-F714 VanDerWaalsContact CG2-CE2 3.45Å; I501-F714 HydrophobicContact CG2-CG 4.29Å; I501-F714 HydrophobicContact CG2-CZ 3.91Å |
| 502 | V | 86.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.024 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | M476 V479 F483 F498 N499 N504 F505 K506 F714 | M476-V502 HydrophobicContact CE-CG1 4.23Å; V479-V502 HydrophobicContact CG1-CG1 4.46Å; V479-V502 HydrophobicContact CG1-CG2 3.91Å; F483-V502 HydrophobicContact CB-CG2 4.3Å; F483-V502 HydrophobicContact CD2-CG2 4.1Å; F483-V502 HydrophobicContact CG-CG2 4.08Å; F498-V502 WeakPolarHBondContact O-CG2 3.36Å; F498-V502 PolarHBondContact O-N 2.97Å; N499-V502 PolarHBondContact O-N 2.86Å; V502-N504 PolarHBondContact O-N 2.7Å; V502-F505 PolarHBondContact O-N 3.29Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.46Å; V502-F714 HydrophobicContact CG2-CE1 3.58Å; V502-F714 HydrophobicContact CG2-CZ 3.84Å |
| 503 | K | 86.7 | Confident | 83.3 | Confident | 105 Ų | 105 | 78.5 Ų | 78.5 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.4 | -175 | 175.4 | 178.1 | -68.5 | 0 | 112.6 | N499 I501 K506 E507 | N499-K503 WeakPolarHBondContact O-CB 3.34Å; N499-K503 PolarHBondContact O-N 2.91Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 3.48Å; K503-K506 PolarHBondContact O-N 3.39Å; K503-E507 WeakPolarHBondContact CE-OE1 3.32Å; K503-E507 IonicContact NZ-OE1 2.95Å; K503-E507 PolarHBondContact NZ-OE1 3.21Å; K503-E507 IonicContact NZ-OE2 3.86Å; K503-E507 PolarHBondContact NZ-OE2 2.88Å; K503-E507 WeakPolarHBondContact O-CG 3.32Å; K503-E507 PolarHBondContact O-N 2.91Å |
| 504 | N | 89.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.6 | -172.4 | -25.5 | 0 | 0 | 0 | 111.2 | V500 I501 V502 K506 E507 R508 | V500-N504 WeakPolarHBondContact O-CB 3.2Å; V500-N504 PolarHBondContact O-N 3.06Å; I501-N504 WeakPolarHBondContact O-CB 3.39Å; I501-N504 PolarHBondContact O-N 3.3Å; I501-N504 VanDerWaalsContact O-N 3.1Å; V502-N504 PolarHBondContact O-N 2.7Å; N504-K506 PolarHBondContact O-N 2.81Å; N504-E507 PolarHBondContact O-N 3.17Å; N504-R508 PolarHBondContact O-N 2.62Å; N504-R508 WeakPolarHBondContact OD1-CD 3.44Å |
| 505 | F | 90.8 | Very high | 86.2 | Confident | 11 Ų | 11 | 69 Ų | 69 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.5 | -65.8 | -29.4 | 0 | 0 | 0 | 112.7 | M476 I501 V502 E507 R508 F509 L707 E710 I711 F714 | M476-F505 HydrophobicContact CE-CB 3.75Å; M476-F505 HydrophobicContact SD-CB 3.88Å; I501-F505 HydrophobicContact CG2-CD2 4.07Å; I501-F505 HydrophobicContact CG2-CE2 3.57Å; I501-F505 HydrophobicContact CG2-CZ 3.84Å; I501-F505 PolarHBondContact O-N 3.14Å; V502-F505 PolarHBondContact O-N 3.29Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-E507 PolarHBondContact O-N 3.16Å; F505-R508 PolarHBondContact O-N 3.17Å; F505-F509 VanDerWaalsContact O-CB 3.24Å; F505-F509 WeakPolarHBondContact O-CB 3.44Å; F505-F509 PolarHBondContact O-N 2.91Å; F505-L707 HydrophobicContact CD1-CD1 3.62Å; F505-L707 HydrophobicContact CE1-CD1 4.14Å; F505-L707 HydrophobicContact CG-CD1 4.4Å; F505-E710 HydrophobicContact CE1-CB 3.75Å; F505-E710 HydrophobicContact CZ-CB 3.9Å; F505-I711 HydrophobicContact CB-CD1 4.36Å; F505-I711 HydrophobicContact CB-CG1 4.44Å; F505-I711 HydrophobicContact CD1-CG1 4.35Å; F505-I711 HydrophobicContact CD2-CG1 3.76Å; F505-I711 HydrophobicContact CE2-CG1 3.97Å; F505-I711 HydrophobicContact CG-CD1 4.38Å; F505-I711 HydrophobicContact CG-CG1 3.96Å; F505-I711 HydrophobicContact CZ-CG1 4.37Å; F505-F714 HydrophobicContact CD2-CD1 4.44Å; F505-F714 HydrophobicContact CE2-CB 3.8Å; F505-F714 AromaticContact CE2-CD1 3.96Å; F505-F714 HydrophobicContact CE2-CD1 3.96Å; F505-F714 HydrophobicContact CE2-CD2 4.38Å; F505-F714 AromaticContact CE2-CG 3.81Å; F505-F714 HydrophobicContact CE2-CG 3.81Å; F505-F714 HydrophobicContact CZ-CB 4.36Å |
| 506 | K | 89.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 69 Ų | 69 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 173 | -70 | -172.4 | -171.8 | -128.6 | 0 | 112.1 | M476 E480 V502 K503 N504 K510 | M476-K506 HydrophobicContact CE-CB 4.29Å; M476-K506 HydrophobicContact CE-CG 3.42Å; M476-K506 VanDerWaalsContact CE-CG 3.42Å; E480-K506 VanDerWaalsContact CD-CE 3.41Å; E480-K506 WeakPolarHBondContact OE1-CE 3.31Å; E480-K506 IonicContact OE1-NZ 2.93Å; E480-K506 PolarHBondContact OE1-NZ 3.14Å; E480-K506 IonicContact OE2-NZ 2.59Å; E480-K506 PolarHBondContact OE2-NZ 2.77Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.46Å; K503-K506 PolarHBondContact O-N 3.39Å; N504-K506 PolarHBondContact O-N 2.81Å; K506-K510 VanDerWaalsContact O-CB 3.29Å; K506-K510 WeakPolarHBondContact O-CB 3.49Å; K506-K510 PolarHBondContact O-N 2.73Å |
| 507 | E | 89.8 | Confident | 88.2 | Confident | 106 Ų | 106 | 68.1 Ų | 68.1 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | -178.9 | -72.5 | 175.2 | 154.7 | 0 | 0 | 111.9 | K503 N504 F505 T511 | K503-E507 WeakPolarHBondContact CE-OE1 3.32Å; K503-E507 IonicContact NZ-OE1 2.95Å; K503-E507 PolarHBondContact NZ-OE1 3.21Å; K503-E507 IonicContact NZ-OE2 3.86Å; K503-E507 PolarHBondContact NZ-OE2 2.88Å; K503-E507 WeakPolarHBondContact O-CG 3.32Å; K503-E507 PolarHBondContact O-N 2.91Å; N504-E507 PolarHBondContact O-N 3.17Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-E507 PolarHBondContact O-N 3.16Å; E507-T511 WeakPolarHBondContact O-CB 3.34Å; E507-T511 PolarHBondContact O-N 3.44Å; E507-T511 VanDerWaalsContact O-N 3.08Å; E507-T511 PolarHBondContact O-OG1 3.36Å |
| 508 | R | 91.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.2 | -49.8 | 174 | -75.5 | 175.2 | 63.4 | -173.8 | -4.1 | 112.3 | N504 F505 K510 T511 L512 L707 E710 | N504-R508 PolarHBondContact O-N 2.62Å; N504-R508 WeakPolarHBondContact OD1-CD 3.44Å; F505-R508 PolarHBondContact O-N 3.17Å; R508-K510 VanDerWaalsContact C-N 3.35Å; R508-K510 PolarHBondContact O-N 2.89Å; R508-T511 PolarHBondContact O-N 3.45Å; R508-T511 VanDerWaalsContact O-N 3.15Å; R508-L512 WeakPolarHBondContact O-CG 3.46Å; R508-L512 PolarHBondContact O-N 3.43Å; R508-L707 HydrophobicContact CB-CD1 4.37Å; R508-L707 HydrophobicContact CB-CD2 4.08Å; R508-E710 IonicContact CZ-OE1 3.03Å; R508-E710 VanDerWaalsContact CZ-OE1 3.25Å; R508-E710 IonicContact CZ-OE2 2.64Å; R508-E710 IonicContact NH1-OE1 2.74Å; R508-E710 PolarHBondContact NH1-OE1 3.49Å; R508-E710 IonicContact NH1-OE2 3.4Å; R508-E710 PolarHBondContact NH1-OE2 3.48Å; R508-E710 IonicContact NH2-OE1 2.72Å; R508-E710 PolarHBondContact NH2-OE1 2.94Å; R508-E710 IonicContact NH2-OE2 2.62Å |
| 509 | F | 92.6 | Very high | 89.5 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 179.1 | 179.1 | -99.3 | 0 | 0 | 0 | 111.5 | F469 L472 F505 T511 L512 S513 L707 | F469-F509 AromaticContact CD1-CE2 3.93Å; F469-F509 HydrophobicContact CD1-CE2 3.93Å; F469-F509 HydrophobicContact CD1-CZ 4.2Å; L472-F509 HydrophobicContact CB-CD2 4.45Å; L472-F509 HydrophobicContact CB-CE2 4Å; L472-F509 HydrophobicContact CD2-CD2 3.77Å; L472-F509 HydrophobicContact CD2-CE2 4.04Å; L472-F509 HydrophobicContact CG-CD2 3.84Å; L472-F509 HydrophobicContact CG-CE2 3.9Å; F505-F509 VanDerWaalsContact O-CB 3.24Å; F505-F509 WeakPolarHBondContact O-CB 3.44Å; F505-F509 PolarHBondContact O-N 2.91Å; F509-T511 PolarHBondContact O-N 2.78Å; F509-L512 PolarHBondContact O-N 3.33Å; F509-S513 WeakPolarHBondContact O-CB 3.38Å; F509-S513 PolarHBondContact O-N 3.39Å; F509-L707 HydrophobicContact CB-CD2 4.18Å |
| 510 | K | 91.2 | Very high | 89.9 | Confident | 127 Ų | 127 | 65.8 Ų | 65.8 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59 | -46.6 | 174.9 | 178.5 | 169.6 | 177.7 | 174.7 | 0 | 112.1 | K506 R508 L512 S513 D514 | K506-K510 VanDerWaalsContact O-CB 3.29Å; K506-K510 WeakPolarHBondContact O-CB 3.49Å; K506-K510 PolarHBondContact O-N 2.73Å; R508-K510 VanDerWaalsContact C-N 3.35Å; R508-K510 PolarHBondContact O-N 2.89Å; K510-L512 VanDerWaalsContact C-N 3.27Å; K510-L512 PolarHBondContact O-N 2.86Å; K510-S513 PolarHBondContact O-N 3.31Å; K510-S513 VanDerWaalsContact O-N 3.09Å; K510-D514 WeakPolarHBondContact CE-OD2 3.35Å; K510-D514 WeakPolarHBondContact CG-OD2 3.44Å; K510-D514 PolarHBondContact O-N 2.91Å |
| 511 | T | 92 | Very high | 90.2 | Very high | 96 Ų | 96 | 65.7 Ų | 65.7 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.6 | -39.9 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | E507 R508 F509 A515 | E507-T511 WeakPolarHBondContact O-CB 3.34Å; E507-T511 PolarHBondContact O-N 3.44Å; E507-T511 VanDerWaalsContact O-N 3.08Å; E507-T511 PolarHBondContact O-OG1 3.36Å; R508-T511 PolarHBondContact O-N 3.45Å; R508-T511 VanDerWaalsContact O-N 3.15Å; F509-T511 PolarHBondContact O-N 2.78Å; T511-A515 PolarHBondContact O-N 2.86Å |
| 512 | L | 92.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 175.2 | -62.3 | 176.1 | 0 | 0 | 0 | 111.5 | F469 R508 F509 K510 A515 N516 L700 Q703 L704 L707 | F469-L512 HydrophobicContact CE1-CB 3.88Å; F469-L512 VanDerWaalsContact CZ-C 3.42Å; F469-L512 HydrophobicContact CZ-CB 3.84Å; F469-L512 VanDerWaalsContact CZ-O 3.3Å; F469-L512 WeakPolarHBondContact CZ-O 3.4Å; R508-L512 WeakPolarHBondContact O-CG 3.46Å; R508-L512 PolarHBondContact O-N 3.43Å; F509-L512 PolarHBondContact O-N 3.33Å; K510-L512 VanDerWaalsContact C-N 3.27Å; K510-L512 PolarHBondContact O-N 2.86Å; L512-A515 WeakPolarHBondContact O-CB 3.26Å; L512-A515 PolarHBondContact O-N 3.29Å; L512-N516 PolarHBondContact O-N 3.31Å; L512-L700 HydrophobicContact CB-CD1 4.33Å; L512-L700 HydrophobicContact CD2-CD1 4.08Å; L512-Q703 HydrophobicContact CD1-CB 4.31Å; L512-Q703 HydrophobicContact CD2-CB 4.05Å; L512-Q703 VanDerWaalsContact CD2-OE1 3.26Å; L512-L704 HydrophobicContact CB-CD2 4.22Å; L512-L704 HydrophobicContact CD1-CD2 3.78Å; L512-L704 HydrophobicContact CD1-CG 4.36Å; L512-L707 HydrophobicContact CD1-CD2 4.04Å |
| 513 | S | 90.9 | Very high | 90.6 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 179.5 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | F469 F509 K510 A515 N516 E517 | F469-S513 VanDerWaalsContact CE1-CA 3.48Å; F509-S513 WeakPolarHBondContact O-CB 3.38Å; F509-S513 PolarHBondContact O-N 3.39Å; K510-S513 PolarHBondContact O-N 3.31Å; K510-S513 VanDerWaalsContact O-N 3.09Å; S513-A515 PolarHBondContact O-N 3.48Å; S513-N516 PolarHBondContact O-N 3.01Å; S513-N516 VanDerWaalsContact O-N 3.16Å; S513-E517 PolarHBondContact O-N 2.91Å; S513-E517 VanDerWaalsContact O-N 3.14Å |
| 514 | D | 91.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -29.8 | 175.6 | -70.5 | -20.6 | 0 | 0 | 0 | 111.7 | K510 Q518 | K510-D514 WeakPolarHBondContact CE-OD2 3.35Å; K510-D514 WeakPolarHBondContact CG-OD2 3.44Å; K510-D514 PolarHBondContact O-N 2.91Å; D514-Q518 WeakPolarHBondContact O-CG 3.33Å; D514-Q518 PolarHBondContact O-NE2 2.94Å |
| 515 | A | 91.8 | Very high | 90.6 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 26% | 0.256 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.1 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T511 L512 S513 Q518 A519 F696 | T511-A515 PolarHBondContact O-N 2.86Å; L512-A515 WeakPolarHBondContact O-CB 3.26Å; L512-A515 PolarHBondContact O-N 3.29Å; S513-A515 PolarHBondContact O-N 3.48Å; A515-Q518 PolarHBondContact O-N 2.81Å; A515-A519 PolarHBondContact O-N 2.7Å; A515-A519 VanDerWaalsContact O-N 3.16Å; A515-F696 HydrophobicContact CB-CZ 4.38Å |
| 516 | N | 91.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.032 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.4 | -173.9 | 23.8 | 0 | 0 | 0 | 111.7 | D466 F469 L512 S513 Q518 A519 K520 Y697 L700 | D466-N516 PolarHBondContact OD1-ND2 2.85Å; F469-N516 HydrophobicContact CD2-CB 4.19Å; F469-N516 WeakPolarHBondContact CD2-ND2 3.15Å; F469-N516 HydrophobicContact CE2-CB 3.42Å; F469-N516 VanDerWaalsContact CE2-CB 3.42Å; F469-N516 VanDerWaalsContact CE2-ND2 3.3Å; F469-N516 WeakPolarHBondContact CE2-ND2 3.45Å; F469-N516 HydrophobicContact CZ-CB 3.77Å; L512-N516 PolarHBondContact O-N 3.31Å; S513-N516 PolarHBondContact O-N 3.01Å; S513-N516 VanDerWaalsContact O-N 3.16Å; N516-Q518 VanDerWaalsContact C-N 3.32Å; N516-Q518 PolarHBondContact O-N 2.78Å; N516-A519 WeakPolarHBondContact O-CB 3.41Å; N516-A519 PolarHBondContact O-N 2.84Å; N516-A519 VanDerWaalsContact O-N 3.08Å; N516-K520 PolarHBondContact O-N 2.76Å; N516-Y697 WeakPolarHBondContact OD1-CE1 3.41Å; N516-L700 HydrophobicContact CB-CD2 3.99Å |
| 517 | E | 90.6 | Very high | 90.3 | Very high | 92 Ų | 92 | 71.3 Ų | 71.3 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 179.3 | -178.2 | 51.1 | -145.8 | 0 | 0 | 112.1 | S513 A519 K520 Q521 | S513-E517 PolarHBondContact O-N 2.91Å; S513-E517 VanDerWaalsContact O-N 3.14Å; E517-A519 VanDerWaalsContact C-N 3.34Å; E517-A519 PolarHBondContact O-N 2.93Å; E517-K520 PolarHBondContact O-N 3.4Å; E517-Q521 WeakPolarHBondContact O-CG 3.46Å; E517-Q521 PolarHBondContact O-N 3.12Å; E517-Q521 PolarHBondContact OE1-NE2 3.35Å |
| 518 | Q | 90.8 | Very high | 90.1 | Very high | 133 Ų | 133 | 72.1 Ų | 72.1 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 172.3 | -70.3 | 172.9 | 43.4 | 0 | 0 | 112.4 | D514 A515 N516 Q521 S522 | D514-Q518 WeakPolarHBondContact O-CG 3.33Å; D514-Q518 PolarHBondContact O-NE2 2.94Å; A515-Q518 PolarHBondContact O-N 2.81Å; N516-Q518 VanDerWaalsContact C-N 3.32Å; N516-Q518 PolarHBondContact O-N 2.78Å; Q518-Q521 PolarHBondContact O-N 3.02Å; Q518-S522 PolarHBondContact O-N 2.75Å |
| 519 | A | 90.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A515 N516 E517 Q521 S522 N523 F696 Y697 | A515-A519 PolarHBondContact O-N 2.7Å; A515-A519 VanDerWaalsContact O-N 3.16Å; N516-A519 WeakPolarHBondContact O-CB 3.41Å; N516-A519 PolarHBondContact O-N 2.84Å; N516-A519 VanDerWaalsContact O-N 3.08Å; E517-A519 VanDerWaalsContact C-N 3.34Å; E517-A519 PolarHBondContact O-N 2.93Å; A519-Q521 VanDerWaalsContact C-N 3.33Å; A519-Q521 PolarHBondContact O-N 3Å; A519-S522 WeakPolarHBondContact O-CB 3.36Å; A519-S522 PolarHBondContact O-N 3.48Å; A519-N523 PolarHBondContact O-N 2.81Å; A519-F696 HydrophobicContact CB-CD1 3.81Å; A519-F696 HydrophobicContact CB-CE1 3.27Å; A519-F696 HydrophobicContact CB-CZ 3.94Å; A519-Y697 HydrophobicContact CB-CE1 4.49Å; A519-Y697 HydrophobicContact CB-CE2 4.03Å; A519-Y697 WeakPolarHBondContact CB-OH 3.33Å |
| 520 | K | 89.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 172 | -66.8 | 178.8 | -167.9 | -172.7 | 0 | 112.1 | D466 N516 E517 N523 N524 | D466-K520 VanDerWaalsContact CG-CE 3.5Å; D466-K520 WeakPolarHBondContact OD1-CE 3.23Å; D466-K520 IonicContact OD1-NZ 3.2Å; D466-K520 PolarHBondContact OD1-NZ 3.38Å; D466-K520 WeakPolarHBondContact OD2-CE 3.4Å; D466-K520 IonicContact OD2-NZ 2.62Å; D466-K520 PolarHBondContact OD2-NZ 3.1Å; N516-K520 PolarHBondContact O-N 2.76Å; E517-K520 PolarHBondContact O-N 3.4Å; K520-N523 PolarHBondContact O-N 2.84Å; K520-N524 PolarHBondContact O-N 2.86Å; K520-N524 PolarHBondContact O-ND2 2.87Å |
| 521 | Q | 90.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 68.8 Ų | 68.8 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.1 | -66.8 | 171.6 | 24.1 | 0 | 0 | 111.4 | E517 Q518 A519 N524 Q525 | E517-Q521 WeakPolarHBondContact O-CG 3.46Å; E517-Q521 PolarHBondContact O-N 3.12Å; E517-Q521 PolarHBondContact OE1-NE2 3.35Å; Q518-Q521 PolarHBondContact O-N 3.02Å; A519-Q521 VanDerWaalsContact C-N 3.33Å; A519-Q521 PolarHBondContact O-N 3Å; Q521-N524 PolarHBondContact O-N 3.21Å; Q521-Q525 WeakPolarHBondContact O-CG 3.14Å; Q521-Q525 PolarHBondContact O-N 2.74Å; Q521-Q525 VanDerWaalsContact O-N 3.14Å |
| 522 | S | 90.1 | Very high | 88.3 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.2 | -169.6 | 0 | 0 | 0 | 0 | 112.8 | Q518 A519 N524 Q525 L526 | Q518-S522 PolarHBondContact O-N 2.75Å; A519-S522 WeakPolarHBondContact O-CB 3.36Å; A519-S522 PolarHBondContact O-N 3.48Å; S522-N524 VanDerWaalsContact C-N 3.31Å; S522-N524 PolarHBondContact O-N 3.19Å; S522-Q525 PolarHBondContact O-N 3.44Å; S522-L526 PolarHBondContact O-N 2.86Å |
| 523 | N | 89.3 | Confident | 87.7 | Confident | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.16 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 175.8 | -76.9 | -5 | 0 | 0 | 0 | 112.3 | A519 K520 L526 K527 Y697 | A519-N523 PolarHBondContact O-N 2.81Å; K520-N523 PolarHBondContact O-N 2.84Å; N523-L526 PolarHBondContact O-N 3.46Å; N523-K527 PolarHBondContact O-N 3.05Å; N523-Y697 WeakPolarHBondContact ND2-CE2 3.36Å |
| 524 | N | 87.9 | Confident | 87 | Confident | 104 Ų | 104 | 72.8 Ų | 72.8 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 176.5 | -75.6 | -36 | 0 | 0 | 0 | 112.3 | K520 Q521 S522 L526 K527 E528 | K520-N524 PolarHBondContact O-N 2.86Å; K520-N524 PolarHBondContact O-ND2 2.87Å; Q521-N524 PolarHBondContact O-N 3.21Å; S522-N524 VanDerWaalsContact C-N 3.31Å; S522-N524 PolarHBondContact O-N 3.19Å; N524-L526 VanDerWaalsContact C-N 3.31Å; N524-L526 PolarHBondContact O-N 3.4Å; N524-K527 WeakPolarHBondContact O-CB 3.17Å; N524-K527 PolarHBondContact O-N 3.13Å; N524-E528 PolarHBondContact O-N 3.41Å; N524-E528 VanDerWaalsContact O-N 3.13Å |
| 525 | Q | 88.2 | Confident | 86.2 | Confident | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 173.7 | -69.1 | 174.8 | -0.7 | 0 | 0 | 112 | Q521 S522 E528 L529 | Q521-Q525 WeakPolarHBondContact O-CG 3.14Å; Q521-Q525 PolarHBondContact O-N 2.74Å; Q521-Q525 VanDerWaalsContact O-N 3.14Å; S522-Q525 PolarHBondContact O-N 3.44Å; Q525-E528 PolarHBondContact O-N 2.8Å; Q525-L529 WeakPolarHBondContact O-CG 3.48Å; Q525-L529 PolarHBondContact O-N 3.47Å; Q525-L529 VanDerWaalsContact O-N 3.14Å |
| 526 | L | 87.5 | Confident | 85.6 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177 | -174.8 | 57.6 | 0 | 0 | 0 | 111.8 | L458 S522 N523 N524 E528 L529 I530 I686 K689 | L458-L526 HydrophobicContact CD2-CD2 4.04Å; S522-L526 PolarHBondContact O-N 2.86Å; N523-L526 PolarHBondContact O-N 3.46Å; N524-L526 VanDerWaalsContact C-N 3.31Å; N524-L526 PolarHBondContact O-N 3.4Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-E528 PolarHBondContact O-N 3.15Å; L526-L529 PolarHBondContact O-N 3.13Å; L526-I530 HydrophobicContact CD1-CD1 4.48Å; L526-I530 HydrophobicContact CG-CD1 4.12Å; L526-I530 VanDerWaalsContact O-CD1 3.31Å; L526-I530 WeakPolarHBondContact O-CD1 3.45Å; L526-I530 WeakPolarHBondContact O-CG1 3.2Å; L526-I530 PolarHBondContact O-N 3.36Å; L526-I530 VanDerWaalsContact O-N 3.1Å; L526-I686 HydrophobicContact CD1-CB 4.31Å; L526-I686 HydrophobicContact CD1-CG1 4.17Å; L526-I686 HydrophobicContact CD1-CG2 4.07Å; L526-K689 HydrophobicContact CD1-CB 3.73Å; L526-K689 HydrophobicContact CD1-CD 4.1Å; L526-K689 HydrophobicContact CD2-CB 4.11Å |
| 527 | K | 85.5 | Confident | 84.8 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 61% | 0.609 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 175.1 | -179.2 | -174.8 | 174.2 | -172.5 | 0 | 112.5 | N523 N524 I530 T531 | N523-K527 PolarHBondContact O-N 3.05Å; N524-K527 WeakPolarHBondContact O-CB 3.17Å; N524-K527 PolarHBondContact O-N 3.13Å; K527-I530 PolarHBondContact O-N 2.88Å; K527-T531 PolarHBondContact O-N 3.23Å; K527-T531 PolarHBondContact O-OG1 2.94Å |
| 528 | E | 85.1 | Confident | 84.1 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.4 | -47.9 | 176.9 | -169.9 | 179.2 | 171.9 | 0 | 0 | 111.6 | N524 Q525 L526 I530 T531 N532 | N524-E528 PolarHBondContact O-N 3.41Å; N524-E528 VanDerWaalsContact O-N 3.13Å; Q525-E528 PolarHBondContact O-N 2.8Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-E528 PolarHBondContact O-N 3.15Å; E528-I530 VanDerWaalsContact C-N 3.3Å; E528-I530 PolarHBondContact O-N 2.87Å; E528-T531 PolarHBondContact O-N 3.34Å; E528-T531 VanDerWaalsContact O-N 3.09Å; E528-N532 PolarHBondContact O-N 3.09Å |
| 529 | L | 83.7 | Confident | 83.5 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 176.7 | -69.5 | 172.3 | 0 | 0 | 0 | 112.8 | Q525 L526 Q533 I686 | Q525-L529 WeakPolarHBondContact O-CG 3.48Å; Q525-L529 PolarHBondContact O-N 3.47Å; Q525-L529 VanDerWaalsContact O-N 3.14Å; L526-L529 PolarHBondContact O-N 3.13Å; L529-Q533 PolarHBondContact O-N 2.82Å; L529-I686 HydrophobicContact CB-CD1 4.3Å; L529-I686 HydrophobicContact CB-CG1 4.37Å |
| 530 | I | 82 | Confident | 82.8 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175 | -68.2 | 155.2 | 0 | 0 | 0 | 111.2 | L455 L526 K527 E528 N532 Q533 L534 I686 | L455-I530 HydrophobicContact CD1-CD1 3.62Å; L455-I530 HydrophobicContact CD2-CD1 3.61Å; L455-I530 HydrophobicContact CG-CD1 4.19Å; L526-I530 HydrophobicContact CD1-CD1 4.48Å; L526-I530 HydrophobicContact CG-CD1 4.12Å; L526-I530 VanDerWaalsContact O-CD1 3.31Å; L526-I530 WeakPolarHBondContact O-CD1 3.45Å; L526-I530 WeakPolarHBondContact O-CG1 3.2Å; L526-I530 PolarHBondContact O-N 3.36Å; L526-I530 VanDerWaalsContact O-N 3.1Å; K527-I530 PolarHBondContact O-N 2.88Å; E528-I530 VanDerWaalsContact C-N 3.3Å; E528-I530 PolarHBondContact O-N 2.87Å; I530-N532 VanDerWaalsContact C-N 3.31Å; I530-N532 PolarHBondContact O-N 3.37Å; I530-Q533 PolarHBondContact O-N 2.91Å; I530-L534 HydrophobicContact CG2-CD1 4.08Å; I530-L534 PolarHBondContact O-N 2.89Å; I530-I686 HydrophobicContact CD1-CG2 3.95Å; I530-I686 HydrophobicContact CG1-CD1 3.96Å; I530-I686 HydrophobicContact CG1-CG1 4.27Å; I530-I686 HydrophobicContact CG1-CG2 3.53Å |
| 531 | T | 81.9 | Confident | 82 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 47% | 0.466 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K527 E528 Q533 | K527-T531 PolarHBondContact O-N 3.23Å; K527-T531 PolarHBondContact O-OG1 2.94Å; E528-T531 PolarHBondContact O-N 3.34Å; E528-T531 VanDerWaalsContact O-N 3.09Å; T531-Q533 VanDerWaalsContact C-N 3.31Å; T531-Q533 PolarHBondContact O-N 3.03Å |
| 532 | N | 82 | Confident | 81.5 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 60% | 0.599 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.6 | -20.3 | -178.5 | -67.2 | -16.5 | 0 | 0 | 0 | 114.1 | E528 I530 | E528-N532 PolarHBondContact O-N 3.09Å; I530-N532 VanDerWaalsContact C-N 3.31Å; I530-N532 PolarHBondContact O-N 3.37Å |
| 533 | Q | 80.5 | Confident | 81 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -104.4 | -0.9 | -177.5 | -67.9 | -65.5 | -18.4 | 0 | 0 | 114.3 | L529 I530 T531 Q535 S536 F537 A682 | L529-Q533 PolarHBondContact O-N 2.82Å; I530-Q533 PolarHBondContact O-N 2.91Å; T531-Q533 VanDerWaalsContact C-N 3.31Å; T531-Q533 PolarHBondContact O-N 3.03Å; Q533-Q535 PolarHBondContact O-N 2.88Å; Q533-S536 PolarHBondContact O-N 2.95Å; Q533-S536 VanDerWaalsContact O-N 3.1Å; Q533-F537 HydrophobicContact CB-CD1 4.37Å; Q533-F537 HydrophobicContact CB-CD2 4.38Å; Q533-F537 HydrophobicContact CB-CE1 3.73Å; Q533-F537 HydrophobicContact CB-CE2 3.75Å; Q533-F537 HydrophobicContact CB-CZ 3.39Å; Q533-F537 HydrophobicContact CG-CZ 4.3Å; Q533-F537 WeakPolarHBondContact O-CG 3.27Å; Q533-F537 PolarHBondContact O-N 3.49Å; Q533-F537 VanDerWaalsContact O-N 3.07Å; Q533-A682 HydrophobicContact CG-CB 3.97Å |
| 534 | L | 76.7 | Confident | 80.6 | Confident | 84 Ų | 84 | 68.1 Ų | 68.1 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | -168.7 | -142.4 | 86.7 | 0 | 0 | 0 | 113.9 | I530 S536 F537 D538 | I530-L534 HydrophobicContact CG2-CD1 4.08Å; I530-L534 PolarHBondContact O-N 2.89Å; L534-S536 VanDerWaalsContact C-N 3.35Å; L534-S536 PolarHBondContact O-N 3.28Å; L534-F537 PolarHBondContact O-N 3.33Å; L534-D538 PolarHBondContact O-N 2.87Å |
| 535 | Q | 73.7 | Confident | 80.3 | Confident | 165 Ų | 165 | 69.6 Ų | 69.6 | 77% | 0.771 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -36.7 | 179.5 | -66.3 | -173.7 | 2.4 | 0 | 0 | 112.3 | Q533 D538 I539 | Q533-Q535 PolarHBondContact O-N 2.88Å; Q535-D538 PolarHBondContact O-N 2.85Å; Q535-I539 PolarHBondContact O-N 3.16Å |
| 536 | S | 78.4 | Confident | 80.1 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 177.5 | -49 | 0 | 0 | 0 | 0 | 111.4 | Q533 L534 D538 I539 L540 | Q533-S536 PolarHBondContact O-N 2.95Å; Q533-S536 VanDerWaalsContact O-N 3.1Å; L534-S536 VanDerWaalsContact C-N 3.35Å; L534-S536 PolarHBondContact O-N 3.28Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 3.38Å; S536-I539 PolarHBondContact O-N 3.33Å; S536-I539 VanDerWaalsContact O-N 3.07Å; S536-L540 PolarHBondContact O-N 3.45Å; S536-L540 VanDerWaalsContact O-N 3.09Å |
| 537 | F | 76.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -30.3 | 173.2 | -60.1 | -22.8 | 0 | 0 | 0 | 113.1 | L451 Q533 L534 I539 L540 A679 F683 I686 | L451-F537 HydrophobicContact CD2-CE2 4.43Å; Q533-F537 HydrophobicContact CB-CD1 4.37Å; Q533-F537 HydrophobicContact CB-CD2 4.38Å; Q533-F537 HydrophobicContact CB-CE1 3.73Å; Q533-F537 HydrophobicContact CB-CE2 3.75Å; Q533-F537 HydrophobicContact CB-CZ 3.39Å; Q533-F537 HydrophobicContact CG-CZ 4.3Å; Q533-F537 WeakPolarHBondContact O-CG 3.27Å; Q533-F537 PolarHBondContact O-N 3.49Å; Q533-F537 VanDerWaalsContact O-N 3.07Å; L534-F537 PolarHBondContact O-N 3.33Å; F537-I539 VanDerWaalsContact C-N 3.31Å; F537-L540 HydrophobicContact CD1-CD1 4.21Å; F537-L540 PolarHBondContact O-N 3.36Å; F537-A679 WeakPolarHBondContact CE1-O 3.44Å; F537-F683 HydrophobicContact CD1-CB 4.49Å; F537-F683 HydrophobicContact CD1-CD2 4.38Å; F537-F683 HydrophobicContact CE1-CB 3.8Å; F537-F683 HydrophobicContact CE1-CD2 4.11Å; F537-F683 HydrophobicContact CE1-CG 4.44Å; F537-F683 HydrophobicContact CZ-CB 4.26Å; F537-F683 HydrophobicContact CZ-CD2 4.18Å; F537-I686 HydrophobicContact CE2-CD1 4.38Å; F537-I686 HydrophobicContact CZ-CD1 3.92Å |
| 538 | D | 75.5 | Confident | 79.7 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -28.8 | 171.7 | -77.6 | -31.8 | 0 | 0 | 0 | 112.7 | L534 Q535 S536 K541 | L534-D538 PolarHBondContact O-N 2.87Å; Q535-D538 PolarHBondContact O-N 2.85Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 3.38Å; D538-K541 PolarHBondContact O-N 2.88Å; D538-K541 IonicContact OD1-NZ 2.66Å; D538-K541 PolarHBondContact OD1-NZ 3.44Å |
| 539 | I | 77.1 | Confident | 79.6 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77 | -27.2 | 173.8 | -60.7 | 167.6 | 0 | 0 | 0 | 111.4 | Q535 S536 F537 K541 I542 F547 I676 | Q535-I539 PolarHBondContact O-N 3.16Å; S536-I539 PolarHBondContact O-N 3.33Å; S536-I539 VanDerWaalsContact O-N 3.07Å; F537-I539 VanDerWaalsContact C-N 3.31Å; I539-K541 PolarHBondContact O-N 3.19Å; I539-I542 HydrophobicContact CG2-CD1 4.49Å; I539-I542 WeakPolarHBondContact O-CG1 3.44Å; I539-I542 PolarHBondContact O-N 3.38Å; I539-F547 HydrophobicContact CG2-CD2 3.65Å; I539-F547 HydrophobicContact CG2-CE2 3.83Å; I539-I676 HydrophobicContact CB-CD1 3.67Å; I539-I676 HydrophobicContact CD1-CD1 3.92Å; I539-I676 HydrophobicContact CG1-CD1 4.39Å; I539-I676 HydrophobicContact CG2-CD1 3.52Å; I539-I676 HydrophobicContact CG2-CG1 4.1Å |
| 540 | L | 76.8 | Confident | 79.6 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -6.5 | 172 | -66.5 | 178.1 | 0 | 0 | 0 | 114.1 | L436 M440 S536 F537 I676 | L436-L540 HydrophobicContact CD1-CD2 4.4Å; L436-L540 HydrophobicContact CD2-CD2 3.95Å; L436-L540 HydrophobicContact CG-CD2 4.07Å; M440-L540 HydrophobicContact CG-CB 4.23Å; M440-L540 HydrophobicContact CG-CD1 4.38Å; M440-L540 HydrophobicContact CG-CD2 4.29Å; M440-L540 HydrophobicContact SD-CD1 4.12Å; S536-L540 PolarHBondContact O-N 3.45Å; S536-L540 VanDerWaalsContact O-N 3.09Å; F537-L540 HydrophobicContact CD1-CD1 4.21Å; F537-L540 PolarHBondContact O-N 3.36Å; L540-I676 HydrophobicContact CD2-CG2 3.71Å |
| 541 | K | 73.9 | Confident | 79.8 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -21.9 | 177.5 | -64.9 | 169.6 | -171.1 | 168.4 | 0 | 114.3 | P447 N448 D538 I539 | P447-K541 HydrophobicContact CG-CG 4.2Å; N448-K541 PolarHBondContact ND2-NZ 2.93Å; D538-K541 PolarHBondContact O-N 2.88Å; D538-K541 IonicContact OD1-NZ 2.66Å; D538-K541 PolarHBondContact OD1-NZ 3.44Å; I539-K541 PolarHBondContact O-N 3.19Å |
| 542 | I | 79.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.179 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -80.5 | 159.3 | 177.7 | 61 | 167.7 | 0 | 0 | 0 | 110.8 | F437 I539 E546 F547 K550 | F437-I542 WeakPolarHBondContact CE1-O 3.25Å; I539-I542 HydrophobicContact CG2-CD1 4.49Å; I539-I542 WeakPolarHBondContact O-CG1 3.44Å; I539-I542 PolarHBondContact O-N 3.38Å; I542-E546 HydrophobicContact CB-CB 4.35Å; I542-E546 HydrophobicContact CD1-CB 4.31Å; I542-E546 HydrophobicContact CD1-CG 4.44Å; I542-F547 HydrophobicContact CD1-CB 4.01Å; I542-F547 HydrophobicContact CG1-CB 4.45Å; I542-K550 HydrophobicContact CD1-CD 3.87Å |
| 543 | S | 79.4 | Confident | 79.9 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | trans | -69.7 | 152.2 | 175.8 | 67.5 | 0 | 0 | 0 | 0 | 111.2 | E545 E546 F547 | S543-E545 PolarHBondContact O-N 3.14Å; S543-E546 WeakPolarHBondContact O-CA 3.36Å; S543-E546 WeakPolarHBondContact O-CB 3.4Å; S543-E546 PolarHBondContact O-N 3.32Å; S543-E546 PolarHBondContact OG-N 3.12Å; S543-F547 PolarHBondContact O-N 3.22Å | ||
| 544 | L | 81.1 | Confident | 80.1 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54 | -37.4 | 174.2 | 179.6 | 60.6 | 0 | 0 | 0 | 112 | L433 Y434 F437 E546 F547 I548 | L433-L544 HydrophobicContact CD2-CD1 4.22Å; L433-L544 HydrophobicContact CG-CD1 4.35Å; Y434-L544 HydrophobicContact CD1-CD2 3.38Å; Y434-L544 HydrophobicContact CE1-CD2 3.56Å; Y434-L544 HydrophobicContact CG-CD2 4.24Å; F437-L544 HydrophobicContact CB-CB 4.14Å; F437-L544 HydrophobicContact CD1-CB 4.22Å; F437-L544 HydrophobicContact CD2-CD1 3.74Å; F437-L544 HydrophobicContact CE2-CD1 4.09Å; F437-L544 HydrophobicContact CG-CB 4.06Å; F437-L544 HydrophobicContact CG-CD1 4.1Å; L544-E546 VanDerWaalsContact C-N 3.29Å; L544-E546 PolarHBondContact O-N 3.13Å; L544-F547 HydrophobicContact CD1-CD1 4.47Å; L544-F547 PolarHBondContact O-N 2.81Å; L544-I548 HydrophobicContact CD1-CD1 4.15Å; L544-I548 HydrophobicContact CD1-CG1 4.23Å; L544-I548 HydrophobicContact CG-CD1 3.89Å; L544-I548 HydrophobicContact CG-CG1 4.41Å; L544-I548 WeakPolarHBondContact O-CB 3.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.39Å; L544-I548 PolarHBondContact O-N 2.88Å |
| 545 | E | 81.3 | Confident | 80.3 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -29.8 | 175.1 | -63.4 | -173.5 | -177.1 | 0 | 0 | 114.1 | S543 K549 | S543-E545 PolarHBondContact O-N 3.14Å; E545-K549 VanDerWaalsContact O-CD 3.29Å; E545-K549 WeakPolarHBondContact O-CD 3.17Å; E545-K549 VanDerWaalsContact O-CG 3.3Å; E545-K549 WeakPolarHBondContact O-CG 3.12Å |
| 546 | E | 82.4 | Confident | 80.3 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -83.4 | -35.5 | 177.3 | -161.6 | -167.6 | 136.6 | 0 | 0 | 111.2 | I542 S543 L544 K549 K550 | I542-E546 HydrophobicContact CB-CB 4.35Å; I542-E546 HydrophobicContact CD1-CB 4.31Å; I542-E546 HydrophobicContact CD1-CG 4.44Å; S543-E546 WeakPolarHBondContact O-CA 3.36Å; S543-E546 WeakPolarHBondContact O-CB 3.4Å; S543-E546 PolarHBondContact O-N 3.32Å; S543-E546 PolarHBondContact OG-N 3.12Å; L544-E546 VanDerWaalsContact C-N 3.29Å; L544-E546 PolarHBondContact O-N 3.13Å; E546-K549 PolarHBondContact O-N 3.45Å; E546-K550 WeakPolarHBondContact O-CG 3.47Å; E546-K550 PolarHBondContact O-N 3.22Å; E546-K550 WeakPolarHBondContact OE1-CE 3.48Å; E546-K550 IonicContact OE1-NZ 3.44Å; E546-K550 PolarHBondContact OE1-NZ 3.49Å |
| 547 | F | 84.3 | Confident | 79.9 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 170.5 | -178.7 | -112.2 | 0 | 0 | 0 | 111.5 | L433 F437 I539 I542 S543 L544 K549 K550 L551 I676 | L433-F547 HydrophobicContact CD1-CE1 4.17Å; L433-F547 HydrophobicContact CD2-CD1 4.32Å; L433-F547 HydrophobicContact CD2-CE1 3.98Å; F437-F547 HydrophobicContact CE1-CB 4.42Å; F437-F547 AromaticContact CE2-CD1 3.96Å; F437-F547 HydrophobicContact CE2-CD1 3.96Å; F437-F547 HydrophobicContact CE2-CE1 4.44Å; F437-F547 HydrophobicContact CE2-CG 4.31Å; F437-F547 HydrophobicContact CZ-CB 3.94Å; F437-F547 HydrophobicContact CZ-CD1 4.01Å; F437-F547 HydrophobicContact CZ-CD2 4.46Å; F437-F547 AromaticContact CZ-CG 3.87Å; F437-F547 HydrophobicContact CZ-CG 3.87Å; I539-F547 HydrophobicContact CG2-CD2 3.65Å; I539-F547 HydrophobicContact CG2-CE2 3.83Å; I542-F547 HydrophobicContact CD1-CB 4.01Å; I542-F547 HydrophobicContact CG1-CB 4.45Å; S543-F547 PolarHBondContact O-N 3.22Å; L544-F547 HydrophobicContact CD1-CD1 4.47Å; L544-F547 PolarHBondContact O-N 2.81Å; F547-K549 PolarHBondContact O-N 3.19Å; F547-K549 VanDerWaalsContact O-N 3.17Å; F547-K550 PolarHBondContact O-N 3.13Å; F547-L551 HydrophobicContact CD1-CD1 4.24Å; F547-L551 HydrophobicContact CE1-CD1 3.85Å; F547-L551 HydrophobicContact CE1-CD2 4.29Å; F547-L551 HydrophobicContact CE1-CG 4.24Å; F547-L551 HydrophobicContact CE2-CD2 4.47Å; F547-L551 HydrophobicContact CZ-CD1 4.32Å; F547-L551 HydrophobicContact CZ-CD2 3.93Å; F547-L551 HydrophobicContact CZ-CG 4.25Å; F547-L551 PolarHBondContact O-N 2.82Å; F547-I676 HydrophobicContact CE2-CG1 3.83Å; F547-I676 HydrophobicContact CZ-CB 4.3Å; F547-I676 HydrophobicContact CZ-CG1 3.82Å |
| 548 | I | 82.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 60 Ų | 60 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.4 | -35.6 | 175.5 | -76.3 | 171 | 0 | 0 | 0 | 112.3 | F429 L544 K550 | F429-I548 HydrophobicContact CD2-CD1 4.04Å; F429-I548 HydrophobicContact CD2-CG1 4.33Å; F429-I548 HydrophobicContact CE1-CG1 4.03Å; F429-I548 HydrophobicContact CE2-CD1 3.74Å; F429-I548 HydrophobicContact CE2-CG1 3.79Å; F429-I548 HydrophobicContact CE2-CG2 4.09Å; F429-I548 HydrophobicContact CZ-CB 4.2Å; F429-I548 HydrophobicContact CZ-CD1 4.13Å; F429-I548 HydrophobicContact CZ-CG1 3.63Å; F429-I548 HydrophobicContact CZ-CG2 3.82Å; L544-I548 HydrophobicContact CD1-CD1 4.15Å; L544-I548 HydrophobicContact CD1-CG1 4.23Å; L544-I548 HydrophobicContact CG-CD1 3.89Å; L544-I548 HydrophobicContact CG-CG1 4.41Å; L544-I548 WeakPolarHBondContact O-CB 3.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.39Å; L544-I548 PolarHBondContact O-N 2.88Å; I548-K550 VanDerWaalsContact C-N 3.33Å |
| 549 | K | 82.5 | Confident | 79.8 | Confident | 159 Ų | 159 | 61.1 Ų | 61.1 | 69% | 0.691 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.6 | 178.3 | -71.7 | 164.8 | -171.7 | 154.4 | 0 | 114.2 | E545 E546 F547 | E545-K549 VanDerWaalsContact O-CD 3.29Å; E545-K549 WeakPolarHBondContact O-CD 3.17Å; E545-K549 VanDerWaalsContact O-CG 3.3Å; E545-K549 WeakPolarHBondContact O-CG 3.12Å; E546-K549 PolarHBondContact O-N 3.45Å; F547-K549 PolarHBondContact O-N 3.19Å; F547-K549 VanDerWaalsContact O-N 3.17Å |
| 550 | K | 82.8 | Confident | 79.8 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -16.9 | 179.7 | -72.6 | 166.8 | 174.3 | 170.8 | 0 | 113 | I542 E546 F547 I548 | I542-K550 HydrophobicContact CD1-CD 3.87Å; E546-K550 WeakPolarHBondContact O-CG 3.47Å; E546-K550 PolarHBondContact O-N 3.22Å; E546-K550 WeakPolarHBondContact OE1-CE 3.48Å; E546-K550 IonicContact OE1-NZ 3.44Å; E546-K550 PolarHBondContact OE1-NZ 3.49Å; F547-K550 PolarHBondContact O-N 3.13Å; I548-K550 VanDerWaalsContact C-N 3.33Å |
| 551 | L | 85.8 | Confident | 79.9 | Confident | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -73.2 | 141.1 | 178.4 | -72.1 | 169.3 | 0 | 0 | 0 | 112.4 | F429 F547 Q672 I673 | F429-L551 HydrophobicContact CD1-CD1 4.37Å; F429-L551 HydrophobicContact CE1-CD1 3.64Å; F547-L551 HydrophobicContact CD1-CD1 4.24Å; F547-L551 HydrophobicContact CE1-CD1 3.85Å; F547-L551 HydrophobicContact CE1-CD2 4.29Å; F547-L551 HydrophobicContact CE1-CG 4.24Å; F547-L551 HydrophobicContact CE2-CD2 4.47Å; F547-L551 HydrophobicContact CZ-CD1 4.32Å; F547-L551 HydrophobicContact CZ-CD2 3.93Å; F547-L551 HydrophobicContact CZ-CG 4.25Å; F547-L551 PolarHBondContact O-N 2.82Å; L551-Q672 HydrophobicContact CD2-CB 3.55Å; L551-I673 HydrophobicContact CD1-CD1 4.17Å; L551-I673 HydrophobicContact CD1-CG1 3.98Å; L551-I673 HydrophobicContact CD2-CG1 4.04Å |
| 552 | P | 83.7 | Confident | 80.2 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | trans | -56.6 | 153.6 | 168.9 | -23.2 | 32.6 | 0 | 0 | 0 | 113 | I665 K668 R669 | P552-I665 HydrophobicContact CB-CG2 3.92Å; P552-K668 HydrophobicContact CG-CB 4.24Å; P552-R669 HydrophobicContact CB-CB 4.34Å; P552-R669 VanDerWaalsContact O-CD 3.3Å; P552-R669 WeakPolarHBondContact O-CD 3.4Å; P552-R669 WeakPolarHBondContact O-CG 3.27Å; P552-R669 PolarHBondContact O-NH1 2.84Å | ||
| 553 | S | 84 | Confident | 80.1 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | trans | -147.5 | 132.6 | -174.7 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | D426 N555 | D426-S553 WeakPolarHBondContact OD1-CA 3.48Å; D426-S553 VanDerWaalsContact OD2-CA 3.31Å; D426-S553 WeakPolarHBondContact OD2-CA 3.37Å; D426-S553 WeakPolarHBondContact OD2-CB 3.14Å; D426-S553 PolarHBondContact OD2-OG 3.34Å; S553-N555 PolarHBondContact OG-N 2.91Å; S553-N555 PolarHBondContact OG-ND2 3Å | ||
| 554 | V | 83.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -88 | -11.3 | 175.2 | -72.5 | 0 | 0 | 0 | 0 | 114.5 | D426 N556 L557 I558 L662 I665 R666 | D426-V554 WeakPolarHBondContact OD1-CG2 3.42Å; D426-V554 PolarHBondContact OD1-N 3.41Å; V554-N556 PolarHBondContact O-N 2.99Å; V554-L557 PolarHBondContact O-N 3.28Å; V554-I558 HydrophobicContact CB-CD1 3.91Å; V554-I558 HydrophobicContact CB-CG1 4.48Å; V554-I558 HydrophobicContact CG2-CD1 3.59Å; V554-I558 PolarHBondContact O-N 3.48Å; V554-L662 HydrophobicContact CB-CD2 3.94Å; V554-L662 HydrophobicContact CG1-CD2 3.9Å; V554-L662 WeakPolarHBondContact CG1-O 3.45Å; V554-I665 HydrophobicContact CG1-CB 3.77Å; V554-I665 HydrophobicContact CG1-CG2 3.62Å; V554-R666 HydrophobicContact CG1-CG 3.92Å; V554-R666 HydrophobicContact CG2-CG 4.31Å |
| 555 | N | 81.5 | Confident | 80.3 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.3 | -167.9 | -63.3 | -32.7 | 0 | 0 | 0 | 114.3 | G425 D426 S553 | G425-N555 VanDerWaalsContact CA-OD1 3.27Å; G425-N555 WeakPolarHBondContact CA-OD1 3.37Å; D426-N555 PolarHBondContact N-OD1 2.71Å; D426-N555 PolarHBondContact OD2-ND2 3.27Å; S553-N555 PolarHBondContact OG-N 2.91Å; S553-N555 PolarHBondContact OG-ND2 3Å |
| 556 | N | 73.8 | Confident | 80.3 | Confident | 140 Ų | 140 | 60.8 Ų | 60.8 | 75% | 0.749 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19.6 | 179.6 | -63.3 | -26.8 | 0 | 0 | 0 | 113.9 | V554 T559 | V554-N556 PolarHBondContact O-N 2.99Å; N556-T559 PolarHBondContact O-OG1 3.3Å |
| 557 | L | 71.1 | Confident | 80.2 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -35 | 179.6 | -70.8 | 163.1 | 0 | 0 | 0 | 111.3 | V554 T559 D560 E661 L662 I665 | V554-L557 PolarHBondContact O-N 3.28Å; L557-T559 PolarHBondContact O-N 3.46Å; L557-D560 WeakPolarHBondContact O-CB 3.38Å; L557-D560 PolarHBondContact O-N 2.92Å; L557-D560 VanDerWaalsContact O-N 3.12Å; L557-E661 HydrophobicContact CD1-CG 4.38Å; L557-L662 HydrophobicContact CB-CD2 3.74Å; L557-L662 HydrophobicContact CD1-CD2 4.31Å; L557-I665 HydrophobicContact CD1-CD1 3.31Å |
| 558 | I | 76.8 | Confident | 80.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24 | 177.4 | -69 | 163.3 | 0 | 0 | 0 | 112.4 | L423 A424 V554 D560 N564 L662 | L423-I558 HydrophobicContact CB-CG2 4.5Å; L423-I558 HydrophobicContact CD2-CG2 4.01Å; L423-I558 WeakPolarHBondContact O-CG2 3.32Å; A424-I558 WeakPolarHBondContact O-CD1 3.39Å; V554-I558 HydrophobicContact CB-CD1 3.91Å; V554-I558 HydrophobicContact CB-CG1 4.48Å; V554-I558 HydrophobicContact CG2-CD1 3.59Å; V554-I558 PolarHBondContact O-N 3.48Å; I558-D560 PolarHBondContact O-N 2.87Å; I558-N564 PolarHBondContact O-ND2 3.49Å; I558-N564 VanDerWaalsContact O-ND2 3.07Å; I558-L662 HydrophobicContact CG1-CD2 4.07Å |
| 559 | T | 72.9 | Confident | 80.4 | Confident | 109 Ų | 109 | 64 Ų | 64 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 1.7 | 176.1 | 43.7 | 0 | 0 | 0 | 0 | 115.3 | N556 L557 S561 | N556-T559 PolarHBondContact O-OG1 3.3Å; L557-T559 PolarHBondContact O-N 3.46Å; T559-S561 PolarHBondContact O-N 3.25Å |
| 560 | D | 77.6 | Confident | 80.5 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -63.6 | 127.8 | 174.6 | -177.1 | -19.3 | 0 | 0 | 0 | 111.7 | L557 I558 T562 L563 N564 K658 | L557-D560 WeakPolarHBondContact O-CB 3.38Å; L557-D560 PolarHBondContact O-N 2.92Å; L557-D560 VanDerWaalsContact O-N 3.12Å; I558-D560 PolarHBondContact O-N 2.87Å; D560-T562 PolarHBondContact O-N 3.29Å; D560-T562 WeakPolarHBondContact OD1-CB 3.11Å; D560-T562 PolarHBondContact OD1-N 3.21Å; D560-T562 PolarHBondContact OD1-OG1 2.83Å; D560-T562 PolarHBondContact OD2-OG1 2.99Å; D560-T562 VanDerWaalsContact OD2-OG1 3.07Å; D560-L563 HydrophobicContact CB-CB 4.36Å; D560-L563 HydrophobicContact CB-CD1 4Å; D560-L563 PolarHBondContact O-N 3.19Å; D560-N564 PolarHBondContact O-N 3.36Å; D560-N564 PolarHBondContact O-ND2 3.1Å; D560-K658 IonicContact OD2-NZ 3.13Å; D560-K658 PolarHBondContact OD2-NZ 3.16Å | ||
| 561 | S | 79.1 | Confident | 80.6 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 57% | 0.573 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.8 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | T559 N565 | T559-S561 PolarHBondContact O-N 3.25Å; S561-N565 VanDerWaalsContact O-CG 3.25Å; S561-N565 PolarHBondContact O-N 2.85Å; S561-N565 PolarHBondContact O-ND2 2.87Å |
| 562 | T | 78.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -45.5 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | D560 N564 N565 I566 K658 | D560-T562 PolarHBondContact O-N 3.29Å; D560-T562 WeakPolarHBondContact OD1-CB 3.11Å; D560-T562 PolarHBondContact OD1-N 3.21Å; D560-T562 PolarHBondContact OD1-OG1 2.83Å; D560-T562 PolarHBondContact OD2-OG1 2.99Å; D560-T562 VanDerWaalsContact OD2-OG1 3.07Å; T562-N564 PolarHBondContact O-N 3.37Å; T562-N565 PolarHBondContact O-N 3.19Å; T562-I566 PolarHBondContact O-N 3.03Å; T562-K658 PolarHBondContact OG1-NZ 2.67Å |
| 563 | L | 78.8 | Confident | 81.2 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.6 | -43.9 | 169.9 | -104.2 | 127.9 | 0 | 0 | 0 | 111.2 | L423 D560 N565 I566 A567 F655 K658 L662 | L423-L563 HydrophobicContact CD2-CB 4.22Å; L423-L563 HydrophobicContact CD2-CD2 3.64Å; D560-L563 HydrophobicContact CB-CB 4.36Å; D560-L563 HydrophobicContact CB-CD1 4Å; D560-L563 PolarHBondContact O-N 3.19Å; L563-N565 PolarHBondContact O-N 2.94Å; L563-I566 PolarHBondContact O-N 2.83Å; L563-A567 WeakPolarHBondContact O-CB 3.33Å; L563-A567 PolarHBondContact O-N 2.86Å; L563-F655 HydrophobicContact CD2-CE2 3.57Å; L563-F655 HydrophobicContact CD2-CZ 3.73Å; L563-F655 HydrophobicContact CG-CE2 3.97Å; L563-K658 HydrophobicContact CD1-CB 4.31Å; L563-K658 HydrophobicContact CD1-CD 3.74Å; L563-K658 HydrophobicContact CG-CD 4.35Å; L563-L662 HydrophobicContact CD2-CD1 3.88Å |
| 564 | N | 80.2 | Confident | 81.4 | Confident | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.4 | -12.2 | 177.9 | -79.4 | -91.6 | 0 | 0 | 0 | 114.5 | I558 D560 T562 K568 | I558-N564 PolarHBondContact O-ND2 3.49Å; I558-N564 VanDerWaalsContact O-ND2 3.07Å; D560-N564 PolarHBondContact O-N 3.36Å; D560-N564 PolarHBondContact O-ND2 3.1Å; T562-N564 PolarHBondContact O-N 3.37Å; N564-K568 VanDerWaalsContact O-CD 3.27Å; N564-K568 WeakPolarHBondContact O-CD 3.36Å; N564-K568 WeakPolarHBondContact O-CE 3.31Å; N564-K568 WeakPolarHBondContact O-CG 3.47Å; N564-K568 PolarHBondContact O-NZ 3.47Å |
| 565 | N | 83.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 64 Ų | 64 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -94.4 | -43.6 | 172.6 | -71.6 | -19.1 | 0 | 0 | 0 | 111.1 | S561 T562 L563 A567 K568 E569 | S561-N565 VanDerWaalsContact O-CG 3.25Å; S561-N565 PolarHBondContact O-N 2.85Å; S561-N565 PolarHBondContact O-ND2 2.87Å; T562-N565 PolarHBondContact O-N 3.19Å; L563-N565 PolarHBondContact O-N 2.94Å; N565-A567 VanDerWaalsContact C-N 3.28Å; N565-A567 PolarHBondContact O-N 2.98Å; N565-K568 PolarHBondContact O-N 3.5Å; N565-K568 PolarHBondContact OD1-NZ 3.48Å; N565-E569 PolarHBondContact O-N 2.95Å; N565-E569 VanDerWaalsContact O-N 3.08Å |
| 566 | I | 81.7 | Confident | 82.3 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 175.2 | -64.8 | 166.1 | 0 | 0 | 0 | 110.7 | T562 L563 K568 E569 S570 L651 E654 F655 | T562-I566 PolarHBondContact O-N 3.03Å; L563-I566 PolarHBondContact O-N 2.83Å; I566-K568 VanDerWaalsContact C-N 3.32Å; I566-K568 PolarHBondContact O-N 2.93Å; I566-E569 PolarHBondContact O-N 2.74Å; I566-S570 VanDerWaalsContact O-CB 3.31Å; I566-S570 WeakPolarHBondContact O-CB 3.41Å; I566-S570 PolarHBondContact O-N 3.19Å; I566-L651 HydrophobicContact CG2-CD1 3.9Å; I566-L651 HydrophobicContact CG2-CG 4.03Å; I566-E654 HydrophobicContact CD1-CG 3.99Å; I566-F655 HydrophobicContact CB-CD2 4.09Å; I566-F655 HydrophobicContact CD1-CD2 4.01Å; I566-F655 HydrophobicContact CG2-CB 4.03Å; I566-F655 HydrophobicContact CG2-CD2 3.52Å; I566-F655 HydrophobicContact CG2-CE2 4.34Å; I566-F655 HydrophobicContact CG2-CG 4.08Å |
| 567 | A | 79.7 | Confident | 83.2 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -32.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L423 L563 N565 Q571 | L423-A567 HydrophobicContact CD1-CB 3.44Å; L423-A567 VanDerWaalsContact CD1-CB 3.44Å; L563-A567 WeakPolarHBondContact O-CB 3.33Å; L563-A567 PolarHBondContact O-N 2.86Å; N565-A567 VanDerWaalsContact C-N 3.28Å; N565-A567 PolarHBondContact O-N 2.98Å; A567-Q571 PolarHBondContact O-N 3.04Å |
| 568 | K | 84.2 | Confident | 84.2 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73 | -39.6 | 176 | -69.5 | 167.9 | -167.2 | 145.8 | 0 | 111.7 | N564 N565 I566 Q571 R572 | N564-K568 VanDerWaalsContact O-CD 3.27Å; N564-K568 WeakPolarHBondContact O-CD 3.36Å; N564-K568 WeakPolarHBondContact O-CE 3.31Å; N564-K568 WeakPolarHBondContact O-CG 3.47Å; N564-K568 PolarHBondContact O-NZ 3.47Å; N565-K568 PolarHBondContact O-N 3.5Å; N565-K568 PolarHBondContact OD1-NZ 3.48Å; I566-K568 VanDerWaalsContact C-N 3.32Å; I566-K568 PolarHBondContact O-N 2.93Å; K568-Q571 PolarHBondContact O-N 2.81Å; K568-R572 WeakPolarHBondContact O-CB 3.45Å; K568-R572 PolarHBondContact O-N 2.99Å |
| 569 | E | 86.9 | Confident | 85 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.4 | -35.7 | 177 | -169.9 | 59.8 | -166.6 | 0 | 0 | 111.2 | N565 I566 R572 L573 L651 | N565-E569 PolarHBondContact O-N 2.95Å; N565-E569 VanDerWaalsContact O-N 3.08Å; I566-E569 PolarHBondContact O-N 2.74Å; E569-R572 VanDerWaalsContact CD-NE 3.28Å; E569-R572 WeakPolarHBondContact O-CB 3.3Å; E569-R572 PolarHBondContact O-N 2.94Å; E569-R572 IonicContact OE1-CZ 2.72Å; E569-R572 VanDerWaalsContact OE1-CZ 3.22Å; E569-R572 IonicContact OE1-NE 2.77Å; E569-R572 PolarHBondContact OE1-NE 3.25Å; E569-R572 IonicContact OE1-NH2 3.9Å; E569-R572 PolarHBondContact OE1-NH2 3.14Å; E569-R572 WeakPolarHBondContact OE2-CD 3.28Å; E569-R572 IonicContact OE2-CZ 2.66Å; E569-R572 IonicContact OE2-NE 3.87Å; E569-R572 PolarHBondContact OE2-NE 3.43Å; E569-R572 IonicContact OE2-NH2 2.63Å; E569-L573 WeakPolarHBondContact O-CG 3.23Å; E569-L573 PolarHBondContact O-N 3.33Å; E569-L651 HydrophobicContact CB-CD1 4.12Å; E569-L651 HydrophobicContact CB-CD2 4.34Å; E569-L651 HydrophobicContact CG-CD1 4.11Å; E569-L651 HydrophobicContact CG-CD2 4.4Å |
| 570 | S | 84.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.5 | -54 | 169.2 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | T419 I566 R572 L573 F574 L651 | T419-S570 WeakPolarHBondContact CG2-OG 3.43Å; T419-S570 PolarHBondContact OG1-OG 3.49Å; I566-S570 VanDerWaalsContact O-CB 3.31Å; I566-S570 WeakPolarHBondContact O-CB 3.41Å; I566-S570 PolarHBondContact O-N 3.19Å; S570-R572 VanDerWaalsContact C-N 3.31Å; S570-R572 PolarHBondContact O-N 2.75Å; S570-L573 PolarHBondContact O-N 2.81Å; S570-L573 VanDerWaalsContact O-N 3.16Å; S570-F574 VanDerWaalsContact O-CD2 3.25Å; S570-F574 WeakPolarHBondContact O-CD2 3.28Å; S570-F574 PolarHBondContact O-N 3.19Å; S570-F574 WeakPolarHBondContact OG-CD2 3.26Å; S570-F574 WeakPolarHBondContact OG-CE2 3.42Å; S570-L651 VanDerWaalsContact CA-CD2 3.43Å; S570-L651 VanDerWaalsContact N-CD2 3.32Å |
| 571 | Q | 84.7 | Confident | 86.9 | Confident | 97 Ų | 97 | 53.2 Ų | 53.2 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 175.2 | -171.5 | 67.3 | 55.7 | 0 | 0 | 111.4 | A567 K568 L573 F574 D575 | A567-Q571 PolarHBondContact O-N 3.04Å; K568-Q571 PolarHBondContact O-N 2.81Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.87Å; Q571-F574 PolarHBondContact O-N 3.3Å; Q571-D575 PolarHBondContact NE2-OD1 2.84Å; Q571-D575 VanDerWaalsContact O-CB 3.31Å; Q571-D575 WeakPolarHBondContact O-CB 3.36Å; Q571-D575 PolarHBondContact O-N 3.29Å |
| 572 | R | 91.1 | Very high | 87.7 | Confident | 140 Ų | 140 | 52 Ų | 52 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 179.5 | -163.5 | -175.5 | 77.5 | 79.5 | -0 | 113 | K568 E569 S570 K576 | K568-R572 WeakPolarHBondContact O-CB 3.45Å; K568-R572 PolarHBondContact O-N 2.99Å; E569-R572 VanDerWaalsContact CD-NE 3.28Å; E569-R572 WeakPolarHBondContact O-CB 3.3Å; E569-R572 PolarHBondContact O-N 2.94Å; E569-R572 IonicContact OE1-CZ 2.72Å; E569-R572 VanDerWaalsContact OE1-CZ 3.22Å; E569-R572 IonicContact OE1-NE 2.77Å; E569-R572 PolarHBondContact OE1-NE 3.25Å; E569-R572 IonicContact OE1-NH2 3.9Å; E569-R572 PolarHBondContact OE1-NH2 3.14Å; E569-R572 WeakPolarHBondContact OE2-CD 3.28Å; E569-R572 IonicContact OE2-CZ 2.66Å; E569-R572 IonicContact OE2-NE 3.87Å; E569-R572 PolarHBondContact OE2-NE 3.43Å; E569-R572 IonicContact OE2-NH2 2.63Å; S570-R572 VanDerWaalsContact C-N 3.31Å; S570-R572 PolarHBondContact O-N 2.75Å; R572-K576 PolarHBondContact O-N 2.7Å |
| 573 | L | 90.9 | Very high | 88.6 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.3 | -43.2 | 176.6 | -68.1 | 176.6 | 0 | 0 | 0 | 111.8 | E569 S570 Q571 K576 V577 A647 L648 L651 | E569-L573 WeakPolarHBondContact O-CG 3.23Å; E569-L573 PolarHBondContact O-N 3.33Å; S570-L573 PolarHBondContact O-N 2.81Å; S570-L573 VanDerWaalsContact O-N 3.16Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.87Å; L573-K576 WeakPolarHBondContact O-CB 3.24Å; L573-K576 PolarHBondContact O-N 2.81Å; L573-K576 VanDerWaalsContact O-N 3.09Å; L573-V577 WeakPolarHBondContact O-CG2 3.35Å; L573-V577 PolarHBondContact O-N 3.36Å; L573-A647 HydrophobicContact CD1-CB 3.91Å; L573-A647 HydrophobicContact CD2-CB 3.89Å; L573-L648 HydrophobicContact CB-CD2 3.66Å; L573-L648 HydrophobicContact CB-CG 4.12Å; L573-L648 HydrophobicContact CD1-CD2 3.88Å; L573-L648 HydrophobicContact CD1-CG 4.1Å; L573-L648 HydrophobicContact CG-CD2 4.44Å; L573-L651 HydrophobicContact CD1-CD2 4.12Å |
| 574 | F | 89.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 174.4 | -76.7 | -62.2 | 0 | 0 | 0 | 112.6 | L412 L417 S570 Q571 K576 V577 N578 | L412-F574 HydrophobicContact CD2-CD1 4.37Å; L412-F574 HydrophobicContact CD2-CE1 4.03Å; L417-F574 HydrophobicContact CB-CE2 4.11Å; L417-F574 HydrophobicContact CB-CZ 4.02Å; S570-F574 VanDerWaalsContact O-CD2 3.25Å; S570-F574 WeakPolarHBondContact O-CD2 3.28Å; S570-F574 PolarHBondContact O-N 3.19Å; S570-F574 WeakPolarHBondContact OG-CD2 3.26Å; S570-F574 WeakPolarHBondContact OG-CE2 3.42Å; Q571-F574 PolarHBondContact O-N 3.3Å; F574-K576 PolarHBondContact O-N 3.23Å; F574-V577 WeakPolarHBondContact O-CB 3.18Å; F574-V577 PolarHBondContact O-N 3.36Å; F574-N578 PolarHBondContact O-N 2.84Å; F574-N578 PolarHBondContact O-ND2 3.32Å |
| 575 | D | 89.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 52.3 Ų | 52.3 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 170.8 | -70.4 | -14.1 | 0 | 0 | 0 | 110.8 | Q571 N578 E579 | Q571-D575 PolarHBondContact NE2-OD1 2.84Å; Q571-D575 VanDerWaalsContact O-CB 3.31Å; Q571-D575 WeakPolarHBondContact O-CB 3.36Å; Q571-D575 PolarHBondContact O-N 3.29Å; D575-N578 PolarHBondContact O-N 2.76Å; D575-E579 WeakPolarHBondContact O-CB 3.24Å; D575-E579 PolarHBondContact O-N 2.89Å |
| 576 | K | 92.9 | Very high | 90.6 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.1 | -32.5 | 178.8 | -167.2 | 51.9 | 164.3 | -177.7 | 0 | 113.5 | R572 L573 F574 E579 M580 I644 | R572-K576 PolarHBondContact O-N 2.7Å; L573-K576 WeakPolarHBondContact O-CB 3.24Å; L573-K576 PolarHBondContact O-N 2.81Å; L573-K576 VanDerWaalsContact O-N 3.09Å; F574-K576 PolarHBondContact O-N 3.23Å; K576-E579 HydrophobicContact CD-CB 4.3Å; K576-E579 VanDerWaalsContact CD-OE2 3.23Å; K576-E579 WeakPolarHBondContact CD-OE2 3.33Å; K576-E579 IonicContact NZ-OE1 3.8Å; K576-E579 PolarHBondContact NZ-OE1 3.26Å; K576-E579 IonicContact NZ-OE2 3.52Å; K576-E579 PolarHBondContact NZ-OE2 2.96Å; K576-M580 WeakPolarHBondContact O-CB 3.41Å; K576-M580 PolarHBondContact O-N 2.99Å; K576-I644 HydrophobicContact CG-CD1 4.01Å; K576-I644 HydrophobicContact CG-CG1 4.42Å |
| 577 | V | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 167.4 | 167.2 | 0 | 0 | 0 | 0 | 110.1 | L408 L412 L573 F574 M580 R581 I644 L648 | L408-V577 HydrophobicContact CD2-CG1 4.3Å; L412-V577 HydrophobicContact CD1-CG1 3.76Å; L412-V577 HydrophobicContact CD2-CG1 4.04Å; L412-V577 HydrophobicContact CD2-CG2 4Å; L573-V577 WeakPolarHBondContact O-CG2 3.35Å; L573-V577 PolarHBondContact O-N 3.36Å; F574-V577 WeakPolarHBondContact O-CB 3.18Å; F574-V577 PolarHBondContact O-N 3.36Å; V577-M580 PolarHBondContact O-N 3.03Å; V577-R581 WeakPolarHBondContact O-CG 3.24Å; V577-R581 PolarHBondContact O-N 3.21Å; V577-I644 HydrophobicContact CG2-CG2 3.57Å; V577-L648 HydrophobicContact CG2-CD1 4.1Å |
| 578 | N | 91.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 52 Ų | 52 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 179.5 | -68.7 | -32.6 | 0 | 0 | 0 | 112.4 | F574 D575 M580 R581 Q582 | F574-N578 PolarHBondContact O-N 2.84Å; F574-N578 PolarHBondContact O-ND2 3.32Å; D575-N578 PolarHBondContact O-N 2.76Å; N578-M580 PolarHBondContact O-N 3.19Å; N578-R581 PolarHBondContact O-N 3Å; N578-Q582 WeakPolarHBondContact O-CB 3.36Å; N578-Q582 PolarHBondContact O-N 2.95Å |
| 579 | E | 93.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 173.2 | -166.2 | -148.2 | 116.2 | 0 | 0 | 111.9 | D575 K576 Q582 Q583 | D575-E579 WeakPolarHBondContact O-CB 3.24Å; D575-E579 PolarHBondContact O-N 2.89Å; K576-E579 HydrophobicContact CD-CB 4.3Å; K576-E579 VanDerWaalsContact CD-OE2 3.23Å; K576-E579 WeakPolarHBondContact CD-OE2 3.33Å; K576-E579 IonicContact NZ-OE1 3.8Å; K576-E579 PolarHBondContact NZ-OE1 3.26Å; K576-E579 IonicContact NZ-OE2 3.52Å; K576-E579 PolarHBondContact NZ-OE2 2.96Å; E579-Q582 WeakPolarHBondContact O-CB 3.34Å; E579-Q583 VanDerWaalsContact O-CG 3.32Å; E579-Q583 WeakPolarHBondContact O-CG 3.47Å; E579-Q583 PolarHBondContact O-N 3.49Å; E579-Q583 VanDerWaalsContact O-N 3.09Å; E579-Q583 PolarHBondContact OE1-NE2 2.94Å |
| 580 | M | 95.8 | Very high | 93 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.9 | -174.3 | -177.8 | 65.7 | 0 | 0 | 111.7 | L408 K576 V577 N578 Q583 R584 N637 A640 Q641 I644 | L408-M580 HydrophobicContact CD2-CE 3.39Å; K576-M580 WeakPolarHBondContact O-CB 3.41Å; K576-M580 PolarHBondContact O-N 2.99Å; V577-M580 PolarHBondContact O-N 3.03Å; N578-M580 PolarHBondContact O-N 3.19Å; M580-Q583 PolarHBondContact O-N 3.03Å; M580-R584 WeakPolarHBondContact O-CG 3.49Å; M580-R584 PolarHBondContact O-N 3.41Å; M580-N637 WeakPolarHBondContact CG-ND2 3.29Å; M580-N637 WeakPolarHBondContact CG-OD1 3.45Å; M580-N637 PolarHBondContact O-ND2 2.98Å; M580-A640 HydrophobicContact SD-CB 4.39Å; M580-Q641 HydrophobicContact CE-CB 3.89Å; M580-Q641 HydrophobicContact CE-CG 4.07Å; M580-Q641 HydrophobicContact SD-CB 3.83Å; M580-I644 HydrophobicContact CE-CD1 4.49Å; M580-I644 HydrophobicContact SD-CD1 3.84Å |
| 581 | R | 95.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 175.2 | -74.5 | 174.1 | 157.1 | -179.2 | -12.8 | 112.2 | E405 L408 D409 V577 N578 Q583 R584 V585 | E405-R581 IonicContact OE1-CZ 3.15Å; E405-R581 IonicContact OE1-NE 3.14Å; E405-R581 PolarHBondContact OE1-NE 3.47Å; E405-R581 IonicContact OE1-NH2 2.72Å; E405-R581 PolarHBondContact OE1-NH2 2.67Å; L408-R581 HydrophobicContact CD2-CG 4.4Å; D409-R581 VanDerWaalsContact CG-NH2 3.33Å; D409-R581 IonicContact OD1-CZ 2.95Å; D409-R581 IonicContact OD1-NH1 2.9Å; D409-R581 PolarHBondContact OD1-NH1 2.88Å; D409-R581 IonicContact OD1-NH2 2.87Å; D409-R581 PolarHBondContact OD1-NH2 3.14Å; V577-R581 WeakPolarHBondContact O-CG 3.24Å; V577-R581 PolarHBondContact O-N 3.21Å; N578-R581 PolarHBondContact O-N 3Å; R581-Q583 VanDerWaalsContact C-N 3.28Å; R581-Q583 PolarHBondContact O-N 3.19Å; R581-R584 WeakPolarHBondContact O-CB 3.46Å; R581-R584 PolarHBondContact O-N 2.96Å; R581-R584 VanDerWaalsContact O-N 3.12Å; R581-V585 PolarHBondContact O-N 2.85Å |
| 582 | Q | 95.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 27% | 0.271 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -47 | -51.3 | 171.6 | -93.1 | -172.1 | -16.5 | 0 | 0 | 111.8 | N578 E579 R584 V585 E586 G1199 N1200 | N578-Q582 WeakPolarHBondContact O-CB 3.36Å; N578-Q582 PolarHBondContact O-N 2.95Å; E579-Q582 WeakPolarHBondContact O-CB 3.34Å; Q582-R584 PolarHBondContact O-N 3.5Å; Q582-V585 PolarHBondContact O-N 3.37Å; Q582-E586 PolarHBondContact O-N 2.83Å; Q582-E586 VanDerWaalsContact O-N 3.17Å; Q582-G1199 WeakPolarHBondContact CG-O 3.37Å; Q582-N1200 VanDerWaalsContact CB-OD1 3.32Å; Q582-N1200 WeakPolarHBondContact CB-OD1 3.3Å; Q582-N1200 HydrophobicContact CG-CB 4.45Å |
| 583 | Q | 96.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.1 | -36.9 | -179.5 | -74.5 | 165.6 | 11.8 | 0 | 0 | 113.6 | E579 M580 R581 E586 L587 N637 | E579-Q583 VanDerWaalsContact O-CG 3.32Å; E579-Q583 WeakPolarHBondContact O-CG 3.47Å; E579-Q583 PolarHBondContact O-N 3.49Å; E579-Q583 VanDerWaalsContact O-N 3.09Å; E579-Q583 PolarHBondContact OE1-NE2 2.94Å; M580-Q583 PolarHBondContact O-N 3.03Å; R581-Q583 VanDerWaalsContact C-N 3.28Å; R581-Q583 PolarHBondContact O-N 3.19Å; Q583-E586 PolarHBondContact O-N 3.42Å; Q583-L587 HydrophobicContact CB-CD1 4.36Å; Q583-L587 VanDerWaalsContact O-CB 3.26Å; Q583-L587 WeakPolarHBondContact O-CB 3.4Å; Q583-L587 WeakPolarHBondContact O-CD1 3.45Å; Q583-L587 WeakPolarHBondContact O-CG 3.49Å; Q583-L587 PolarHBondContact O-N 3.13Å; Q583-N637 WeakPolarHBondContact CB-ND2 3.25Å; Q583-N637 PolarHBondContact OE1-ND2 3.25Å |
| 584 | R | 96.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 177.7 | -71.4 | 167.9 | -178.7 | -167.3 | -6.2 | 111.5 | V401 E405 M580 R581 Q582 I588 N637 Q641 | V401-R584 HydrophobicContact CG1-CB 4.08Å; V401-R584 HydrophobicContact CG1-CG 4.33Å; E405-R584 VanDerWaalsContact OE2-CD 3.25Å; E405-R584 WeakPolarHBondContact OE2-CD 3.38Å; E405-R584 IonicContact OE2-CZ 3.88Å; E405-R584 IonicContact OE2-NE 2.81Å; E405-R584 IonicContact OE2-NH1 3.22Å; E405-R584 PolarHBondContact OE2-NH1 3.4Å; M580-R584 WeakPolarHBondContact O-CG 3.49Å; M580-R584 PolarHBondContact O-N 3.41Å; R581-R584 WeakPolarHBondContact O-CB 3.46Å; R581-R584 PolarHBondContact O-N 2.96Å; R581-R584 VanDerWaalsContact O-N 3.12Å; Q582-R584 PolarHBondContact O-N 3.5Å; R584-I588 WeakPolarHBondContact O-CB 3.43Å; R584-I588 WeakPolarHBondContact O-CG1 3.3Å; R584-I588 PolarHBondContact O-N 2.75Å; R584-N637 WeakPolarHBondContact CG-OD1 3.09Å; R584-N637 PolarHBondContact NE-OD1 3.34Å; R584-Q641 VanDerWaalsContact CZ-OE1 3.3Å |
| 585 | V | 94.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 47 Ų | 47 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -45.9 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 111 | R581 Q582 N589 | R581-V585 PolarHBondContact O-N 2.85Å; Q582-V585 PolarHBondContact O-N 3.37Å; V585-N589 WeakPolarHBondContact O-CB 3.3Å; V585-N589 PolarHBondContact O-N 2.89Å; V585-N589 VanDerWaalsContact O-N 3.13Å; V585-N589 PolarHBondContact O-ND2 3.49Å |
| 586 | E | 95.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -49.6 | 179 | 179.6 | 56.1 | -159.3 | 0 | 0 | 112 | Q582 Q583 I588 N589 Q590 | Q582-E586 PolarHBondContact O-N 2.83Å; Q582-E586 VanDerWaalsContact O-N 3.17Å; Q583-E586 PolarHBondContact O-N 3.42Å; E586-I588 PolarHBondContact O-N 2.75Å; E586-N589 PolarHBondContact O-N 2.88Å; E586-N589 VanDerWaalsContact O-N 3.15Å; E586-Q590 WeakPolarHBondContact O-CG 3.31Å; E586-Q590 PolarHBondContact O-N 2.77Å; E586-Q590 WeakPolarHBondContact OE1-CG 3.23Å; E586-Q590 PolarHBondContact OE1-NE2 2.78Å |
| 587 | L | 96.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | -178.5 | -69.8 | 165.3 | 0 | 0 | 0 | 112.8 | Q583 Q590 L591 L630 I633 I634 | Q583-L587 HydrophobicContact CB-CD1 4.36Å; Q583-L587 VanDerWaalsContact O-CB 3.26Å; Q583-L587 WeakPolarHBondContact O-CB 3.4Å; Q583-L587 WeakPolarHBondContact O-CD1 3.45Å; Q583-L587 WeakPolarHBondContact O-CG 3.49Å; Q583-L587 PolarHBondContact O-N 3.13Å; L587-Q590 PolarHBondContact O-N 2.72Å; L587-L591 WeakPolarHBondContact O-CB 3.37Å; L587-L591 PolarHBondContact O-N 2.69Å; L587-L630 HydrophobicContact CD2-CD2 3.93Å; L587-I633 HydrophobicContact CD1-CG2 3.68Å; L587-I633 HydrophobicContact CD2-CB 4.44Å; L587-I633 HydrophobicContact CD2-CG2 3.85Å; L587-I633 HydrophobicContact CG-CG2 4.45Å; L587-I634 HydrophobicContact CB-CD1 4.19Å; L587-I634 HydrophobicContact CB-CG1 3.66Å; L587-I634 HydrophobicContact CD1-CG1 4.18Å; L587-I634 HydrophobicContact CG-CG1 4.46Å |
| 588 | I | 96.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 175.2 | -72.2 | -71.4 | 0 | 0 | 0 | 111.1 | L397 V401 R584 E586 R592 I634 | L397-I588 HydrophobicContact CB-CD1 4.44Å; V401-I588 HydrophobicContact CG2-CD1 4.06Å; V401-I588 HydrophobicContact CG2-CG1 4.08Å; R584-I588 WeakPolarHBondContact O-CB 3.43Å; R584-I588 WeakPolarHBondContact O-CG1 3.3Å; R584-I588 PolarHBondContact O-N 2.75Å; E586-I588 PolarHBondContact O-N 2.75Å; I588-R592 WeakPolarHBondContact O-CB 3.46Å; I588-R592 PolarHBondContact O-N 3.42Å; I588-I634 HydrophobicContact CD1-CD1 3.99Å |
| 589 | N | 94.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 175.1 | -78.2 | -41.5 | 0 | 0 | 0 | 112.7 | V585 E586 R592 T593 | V585-N589 WeakPolarHBondContact O-CB 3.3Å; V585-N589 PolarHBondContact O-N 2.89Å; V585-N589 VanDerWaalsContact O-N 3.13Å; V585-N589 PolarHBondContact O-ND2 3.49Å; E586-N589 PolarHBondContact O-N 2.88Å; E586-N589 VanDerWaalsContact O-N 3.15Å; N589-R592 PolarHBondContact OD1-NH1 2.91Å; N589-R592 VanDerWaalsContact OD1-NH1 3.13Å; N589-T593 WeakPolarHBondContact O-CB 3.39Å; N589-T593 PolarHBondContact O-N 3.18Å; N589-T593 PolarHBondContact O-OG1 3.08Å |
| 590 | Q | 95.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 171 | -71.1 | -179.2 | 12 | 0 | 0 | 111.5 | E586 L587 R592 T593 N594 L630 | E586-Q590 WeakPolarHBondContact O-CG 3.31Å; E586-Q590 PolarHBondContact O-N 2.77Å; E586-Q590 WeakPolarHBondContact OE1-CG 3.23Å; E586-Q590 PolarHBondContact OE1-NE2 2.78Å; L587-Q590 PolarHBondContact O-N 2.72Å; Q590-R592 PolarHBondContact O-N 3.41Å; Q590-T593 PolarHBondContact O-N 3.49Å; Q590-N594 PolarHBondContact O-N 3.37Å; Q590-L630 HydrophobicContact CB-CD1 4.18Å |
| 591 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.6 | 178.6 | 63.2 | 0 | 0 | 0 | 111.7 | L394 L397 L587 T593 N594 L595 H627 L630 I634 | L394-L591 HydrophobicContact CD1-CD2 4.4Å; L394-L591 HydrophobicContact CD1-CG 4.46Å; L397-L591 HydrophobicContact CD1-CD2 3.64Å; L587-L591 WeakPolarHBondContact O-CB 3.37Å; L587-L591 PolarHBondContact O-N 2.69Å; L591-T593 VanDerWaalsContact C-N 3.25Å; L591-T593 PolarHBondContact O-N 3.22Å; L591-N594 PolarHBondContact O-N 2.59Å; L591-L595 HydrophobicContact CD1-CD1 3.87Å; L591-L595 HydrophobicContact CD1-CG 4.06Å; L591-L595 HydrophobicContact CG-CD1 3.83Å; L591-L595 HydrophobicContact CG-CG 4.44Å; L591-L595 WeakPolarHBondContact O-CB 3.37Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.17Å; L591-L595 PolarHBondContact O-N 2.89Å; L591-H627 HydrophobicContact CD1-CB 4Å; L591-L630 HydrophobicContact CB-CD1 4.29Å; L591-L630 HydrophobicContact CD1-CB 4.4Å; L591-I634 HydrophobicContact CB-CD1 4.45Å; L591-I634 HydrophobicContact CD2-CD1 3.85Å |
| 592 | R | 96.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 52 Ų | 52 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57 | -37.9 | 175.3 | 176.9 | -177.9 | -70.3 | 167.5 | -7.5 | 112.2 | L394 I588 N589 Q590 H596 | L394-R592 HydrophobicContact CD1-CB 4.15Å; L394-R592 HydrophobicContact CD2-CB 4.1Å; L394-R592 HydrophobicContact CD2-CG 4Å; I588-R592 WeakPolarHBondContact O-CB 3.46Å; I588-R592 PolarHBondContact O-N 3.42Å; N589-R592 PolarHBondContact OD1-NH1 2.91Å; N589-R592 VanDerWaalsContact OD1-NH1 3.13Å; Q590-R592 PolarHBondContact O-N 3.41Å; R592-H596 WeakPolarHBondContact O-CB 3.04Å; R592-H596 PolarHBondContact O-N 3.16Å |
| 593 | T | 93.7 | Very high | 91.7 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.4 | -45.6 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | N589 Q590 L591 L595 H596 L597 | N589-T593 WeakPolarHBondContact O-CB 3.39Å; N589-T593 PolarHBondContact O-N 3.18Å; N589-T593 PolarHBondContact O-OG1 3.08Å; Q590-T593 PolarHBondContact O-N 3.49Å; L591-T593 VanDerWaalsContact C-N 3.25Å; L591-T593 PolarHBondContact O-N 3.22Å; T593-L595 PolarHBondContact O-N 3.2Å; T593-H596 WeakPolarHBondContact O-CB 3.15Å; T593-H596 PolarHBondContact O-N 2.97Å; T593-H596 VanDerWaalsContact O-N 3.09Å; T593-L597 HydrophobicContact CG2-CD1 4.12Å; T593-L597 WeakPolarHBondContact O-CG 3.37Å; T593-L597 PolarHBondContact O-N 2.74Å |
| 594 | N | 93.1 | Very high | 91 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.6 | -72.2 | -15.1 | 0 | 0 | 0 | 112.3 | Q590 L591 H596 L597 D598 L630 | Q590-N594 PolarHBondContact O-N 3.37Å; L591-N594 PolarHBondContact O-N 2.59Å; N594-H596 VanDerWaalsContact C-N 3.29Å; N594-H596 PolarHBondContact O-N 3.11Å; N594-L597 PolarHBondContact O-N 2.81Å; N594-D598 WeakPolarHBondContact O-CB 3.46Å; N594-D598 PolarHBondContact O-N 2.94Å; N594-L630 WeakPolarHBondContact ND2-CD1 3.39Å |
| 595 | L | 94.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -30.7 | 172.7 | -69.3 | 168.5 | 0 | 0 | 0 | 112.5 | K390 L393 L394 L591 T593 L623 | K390-L595 HydrophobicContact CB-CD2 4.15Å; K390-L595 HydrophobicContact CD-CB 4.4Å; K390-L595 HydrophobicContact CD-CD2 4.15Å; K390-L595 VanDerWaalsContact CD-O 3.27Å; K390-L595 WeakPolarHBondContact CD-O 3.46Å; K390-L595 WeakPolarHBondContact CE-O 3.42Å; K390-L595 HydrophobicContact CG-CD2 3.88Å; K390-L595 PolarHBondContact NZ-O 3.38Å; L393-L595 HydrophobicContact CD2-CD2 4.3Å; L394-L595 HydrophobicContact CB-CD1 3.97Å; L394-L595 HydrophobicContact CD1-CD1 4.44Å; L591-L595 HydrophobicContact CD1-CD1 3.87Å; L591-L595 HydrophobicContact CD1-CG 4.06Å; L591-L595 HydrophobicContact CG-CD1 3.83Å; L591-L595 HydrophobicContact CG-CG 4.44Å; L591-L595 WeakPolarHBondContact O-CB 3.37Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.17Å; L591-L595 PolarHBondContact O-N 2.89Å; T593-L595 PolarHBondContact O-N 3.2Å; L595-L623 HydrophobicContact CD2-CD2 4.08Å |
| 596 | H | 90.7 | Very high | 89.2 | Confident | 121 Ų | 121 | 47.6 Ų | 47.6 | 56% | 0.56 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -70.5 | -37 | 174.3 | -167 | -56.5 | 0 | 0 | 0 | 112.3 | R592 T593 N594 D598 R1616 | R592-H596 WeakPolarHBondContact O-CB 3.04Å; R592-H596 PolarHBondContact O-N 3.16Å; T593-H596 WeakPolarHBondContact O-CB 3.15Å; T593-H596 PolarHBondContact O-N 2.97Å; T593-H596 VanDerWaalsContact O-N 3.09Å; N594-H596 VanDerWaalsContact C-N 3.29Å; N594-H596 PolarHBondContact O-N 3.11Å; H596-D598 VanDerWaalsContact C-N 3.34Å; H596-R1616 PolarHBondContact CD2-NH1 2.88Å; H596-R1616 PolarHBondContact NE2-NH1 3.22Å |
| 597 | L | 90.1 | Very high | 88.3 | Confident | 130 Ų | 130 | 44.3 Ų | 44.3 | 68% | 0.681 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -82.3 | -11 | -179.9 | -65.3 | 173.2 | 0 | 0 | 0 | 113.5 | T593 N594 D599 | T593-L597 HydrophobicContact CG2-CD1 4.12Å; T593-L597 WeakPolarHBondContact O-CG 3.37Å; T593-L597 PolarHBondContact O-N 2.74Å; N594-L597 PolarHBondContact O-N 2.81Å; L597-D599 PolarHBondContact O-N 3.4Å |
| 598 | D | 91.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 77.7 | -179.5 | -162 | -0.7 | 0 | 0 | 0 | 112.7 | Y386 K390 N594 H596 K626 H627 | Y386-D598 PolarHBondContact OH-OD2 3.12Å; K390-D598 HydrophobicContact CD-CB 4.24Å; K390-D598 PolarHBondContact NZ-O 2.83Å; N594-D598 WeakPolarHBondContact O-CB 3.46Å; N594-D598 PolarHBondContact O-N 2.94Å; H596-D598 VanDerWaalsContact C-N 3.34Å; D598-K626 VanDerWaalsContact CG-CD 3.49Å; D598-K626 WeakPolarHBondContact OD1-CD 3.02Å; D598-K626 IonicContact OD1-NZ 3.59Å; D598-K626 PolarHBondContact OD1-NZ 3.3Å; D598-K626 WeakPolarHBondContact OD2-CD 3.38Å; D598-K626 IonicContact OD2-NZ 3.4Å; D598-H627 IonicContact OD2-CD2 2.77Å; D598-H627 IonicContact OD2-CE1 3.48Å; D598-H627 IonicContact OD2-NE2 3.16Å; D598-H627 PolarHBondContact OD2-NE2 3.44Å | ||
| 599 | D | 86 | Confident | 85.5 | Confident | 88 Ų | 88 | 52 Ų | 52 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | trans | -76.1 | 142.7 | 169.6 | 178.8 | 28 | 0 | 0 | 0 | 111.7 | L597 D601 | L597-D599 PolarHBondContact O-N 3.4Å; D599-D601 WeakPolarHBondContact OD1-CB 3.28Å; D599-D601 PolarHBondContact OD1-N 3.34Å | ||
| 600 | V | 88.4 | Confident | 84.2 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | trans | -123.2 | -5.6 | 178.2 | -69.7 | 0 | 0 | 0 | 0 | 113.5 | A383 Y386 S602 D603 L604 W618 R622 | A383-V600 HydrophobicContact CB-CG2 4.25Å; Y386-V600 HydrophobicContact CD1-CB 4.09Å; Y386-V600 HydrophobicContact CD1-CG1 3.49Å; Y386-V600 VanDerWaalsContact CD1-CG1 3.49Å; Y386-V600 HydrophobicContact CD1-CG2 3.41Å; Y386-V600 VanDerWaalsContact CD1-CG2 3.41Å; Y386-V600 HydrophobicContact CE1-CB 4.38Å; Y386-V600 HydrophobicContact CE1-CG1 3.33Å; Y386-V600 HydrophobicContact CE1-CG2 4.16Å; Y386-V600 HydrophobicContact CE2-CG1 4.42Å; Y386-V600 HydrophobicContact CG-CG1 4.11Å; Y386-V600 HydrophobicContact CG-CG2 3.83Å; V600-S602 PolarHBondContact O-N 3.1Å; V600-D603 PolarHBondContact O-N 3.31Å; V600-L604 HydrophobicContact CB-CD1 4.17Å; V600-L604 HydrophobicContact CB-CG 4.39Å; V600-L604 HydrophobicContact CG2-CD1 3.73Å; V600-L604 HydrophobicContact CG2-CG 4.46Å; V600-L604 WeakPolarHBondContact O-CB 3.31Å; V600-L604 WeakPolarHBondContact O-CG 3.41Å; V600-L604 PolarHBondContact O-N 3.16Å; V600-W618 HydrophobicContact CG1-CH2 4.29Å; V600-W618 HydrophobicContact CG1-CZ3 4.16Å; V600-R622 HydrophobicContact CG1-CG 4.46Å | ||
| 601 | D | 83.6 | Confident | 82.7 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54 | -43.1 | 179.2 | -77.2 | -10.5 | 0 | 0 | 0 | 110.7 | I375 A383 D599 D603 L605 | I375-D601 WeakPolarHBondContact CD1-OD2 3.49Å; A383-D601 WeakPolarHBondContact CB-OD1 3.5Å; D599-D601 WeakPolarHBondContact OD1-CB 3.28Å; D599-D601 PolarHBondContact OD1-N 3.34Å; D601-D603 VanDerWaalsContact C-N 3.33Å; D601-D603 PolarHBondContact O-N 3.08Å; D601-L605 WeakPolarHBondContact O-CD1 3.06Å; D601-L605 VanDerWaalsContact O-CG 3.3Å; D601-L605 WeakPolarHBondContact O-CG 3.3Å; D601-L605 PolarHBondContact O-N 2.76Å |
| 602 | S | 75.2 | Confident | 81.3 | Confident | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -28.2 | 175.8 | -79.7 | 0 | 0 | 0 | 0 | 115.1 | R366 V600 I606 | R366-S602 PolarHBondContact NH2-OG 2.85Å; V600-S602 PolarHBondContact O-N 3.1Å; S602-I606 WeakPolarHBondContact O-CD1 3.13Å; S602-I606 WeakPolarHBondContact O-CG1 3.37Å |
| 603 | D | 80.9 | Confident | 79.9 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.5 | -48.2 | 179.1 | -64.4 | -31.6 | 0 | 0 | 0 | 109.7 | V600 D601 L605 I606 I607 W618 R622 | V600-D603 PolarHBondContact O-N 3.31Å; D601-D603 VanDerWaalsContact C-N 3.33Å; D601-D603 PolarHBondContact O-N 3.08Å; D603-L605 PolarHBondContact O-N 2.75Å; D603-L605 VanDerWaalsContact O-N 3.1Å; D603-I606 PolarHBondContact O-N 3.43Å; D603-I607 HydrophobicContact CB-CD1 4.5Å; D603-I607 WeakPolarHBondContact O-CG1 3.37Å; D603-I607 PolarHBondContact O-N 2.8Å; D603-W618 HydrophobicContact CB-CH2 3.77Å; D603-W618 HydrophobicContact CB-CZ2 4.16Å; D603-R622 IonicContact OD1-NH2 2.7Å; D603-R622 IonicContact OD2-CZ 2.91Å; D603-R622 VanDerWaalsContact OD2-CZ 3.28Å; D603-R622 IonicContact OD2-NE 3.71Å; D603-R622 PolarHBondContact OD2-NE 2.64Å; D603-R622 IonicContact OD2-NH2 3.06Å; D603-R622 PolarHBondContact OD2-NH2 3.07Å |
| 604 | L | 82.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.3 | -29.9 | -177 | -76.1 | 165.4 | 0 | 0 | 0 | 114.1 | V379 A383 V600 I606 I607 L615 F619 | V379-L604 HydrophobicContact CG1-CB 3.89Å; V379-L604 HydrophobicContact CG1-CD1 4.21Å; V379-L604 HydrophobicContact CG2-CB 4.35Å; A383-L604 HydrophobicContact CB-CD1 4.08Å; V600-L604 HydrophobicContact CB-CD1 4.17Å; V600-L604 HydrophobicContact CB-CG 4.39Å; V600-L604 HydrophobicContact CG2-CD1 3.73Å; V600-L604 HydrophobicContact CG2-CG 4.46Å; V600-L604 WeakPolarHBondContact O-CB 3.31Å; V600-L604 WeakPolarHBondContact O-CG 3.41Å; V600-L604 PolarHBondContact O-N 3.16Å; L604-I606 VanDerWaalsContact C-N 3.32Å; L604-I607 HydrophobicContact CD2-CD1 4.29Å; L604-L615 HydrophobicContact CD2-CD1 4.06Å; L604-L615 HydrophobicContact CD2-CD2 4.26Å; L604-L615 HydrophobicContact CD2-CG 4.46Å; L604-F619 HydrophobicContact CD2-CE1 4Å; L604-F619 HydrophobicContact CD2-CZ 4.09Å |
| 605 | L | 78.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25 | 174.7 | -72.8 | 160.2 | 0 | 0 | 0 | 114.3 | G80 R81 P376 V379 D601 D603 | G80-L605 WeakPolarHBondContact CA-O 3.49Å; R81-L605 HydrophobicContact CG-CD2 3.78Å; R81-L605 VanDerWaalsContact CZ-CD1 3.41Å; P376-L605 HydrophobicContact CG-CD2 3.89Å; V379-L605 HydrophobicContact CG1-CG 4.48Å; V379-L605 HydrophobicContact CG2-CD2 4.03Å; V379-L605 HydrophobicContact CG2-CG 4.29Å; D601-L605 WeakPolarHBondContact O-CD1 3.06Å; D601-L605 VanDerWaalsContact O-CG 3.3Å; D601-L605 WeakPolarHBondContact O-CG 3.3Å; D601-L605 PolarHBondContact O-N 2.76Å; D603-L605 PolarHBondContact O-N 2.75Å; D603-L605 VanDerWaalsContact O-N 3.1Å |
| 606 | I | 74.2 | Confident | 78.5 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -13.3 | -169.9 | -32.6 | 173.9 | 0 | 0 | 0 | 112.2 | L77 N361 S602 D603 L604 | L77-I606 HydrophobicContact CD2-CD1 3.75Å; L77-I606 HydrophobicContact CD2-CG1 4.12Å; L77-I606 HydrophobicContact CG-CD1 4.5Å; N361-I606 WeakPolarHBondContact OD1-CD1 3.03Å; N361-I606 WeakPolarHBondContact OD1-CG2 3.41Å; S602-I606 WeakPolarHBondContact O-CD1 3.13Å; S602-I606 WeakPolarHBondContact O-CG1 3.37Å; D603-I606 PolarHBondContact O-N 3.43Å; L604-I606 VanDerWaalsContact C-N 3.32Å |
| 607 | I | 76.1 | Confident | 78.3 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -53.9 | 128.2 | 167.4 | -73.9 | 171.6 | 0 | 0 | 0 | 109.4 | D603 L604 V611 K612 W618 | D603-I607 HydrophobicContact CB-CD1 4.5Å; D603-I607 WeakPolarHBondContact O-CG1 3.37Å; D603-I607 PolarHBondContact O-N 2.8Å; L604-I607 HydrophobicContact CD2-CD1 4.29Å; I607-V611 HydrophobicContact CG2-CB 3.63Å; I607-V611 HydrophobicContact CG2-CG1 3.64Å; I607-K612 HydrophobicContact CG2-CG 4.08Å; I607-K612 WeakPolarHBondContact O-CE 3.41Å; I607-K612 PolarHBondContact O-NZ 3.31Å; I607-W618 HydrophobicContact CD1-CD2 3.67Å; I607-W618 VanDerWaalsContact CD1-CE2 3.49Å; I607-W618 HydrophobicContact CD1-CE3 3.89Å; I607-W618 HydrophobicContact CD1-CG 4.33Å; I607-W618 HydrophobicContact CD1-CH2 3.85Å; I607-W618 HydrophobicContact CD1-CZ2 3.61Å; I607-W618 HydrophobicContact CD1-CZ3 3.98Å; I607-W618 HydrophobicContact CG1-CZ2 4.35Å |
| 608 | P | 67.3 | Low | 78.2 | Confident | 79 Ų | 79 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | trans | -59.9 | 147.2 | 176.3 | -24.6 | 34.5 | 0 | 0 | 0 | 112.5 | E610 V611 K612 | P608-E610 PolarHBondContact O-N 3.03Å; P608-E610 VanDerWaalsContact O-N 3.11Å; P608-V611 PolarHBondContact O-N 3.05Å; P608-K612 PolarHBondContact O-N 3.37Å | ||
| 609 | D | 67.4 | Low | 78.2 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 62% | 0.62 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23 | -176.7 | -60.7 | -47.4 | 0 | 0 | 0 | 113.7 | K612 | D609-K612 PolarHBondContact O-N 3.12Å; D609-K612 WeakPolarHBondContact OD1-CD 3.28Å; D609-K612 WeakPolarHBondContact OD1-CE 3.46Å; D609-K612 IonicContact OD1-NZ 2.7Å; D609-K612 PolarHBondContact OD1-NZ 2.81Å |
| 610 | E | 66.3 | Low | 78.5 | Confident | 162 Ų | 162 | 57.3 Ų | 57.3 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -43.8 | 169.8 | -61.3 | 177 | 169.6 | 0 | 0 | 112.2 | P608 K612 Q613 | P608-E610 PolarHBondContact O-N 3.03Å; P608-E610 VanDerWaalsContact O-N 3.11Å; E610-K612 VanDerWaalsContact C-N 3.33Å; E610-Q613 WeakPolarHBondContact O-CB 3.11Å; E610-Q613 WeakPolarHBondContact O-CG 3.32Å; E610-Q613 PolarHBondContact O-N 3.18Å |
| 611 | V | 64.2 | Low | 78.5 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -76.5 | -23.7 | -178.2 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I607 P608 Q613 D614 W618 | I607-V611 HydrophobicContact CG2-CB 3.63Å; I607-V611 HydrophobicContact CG2-CG1 3.64Å; P608-V611 PolarHBondContact O-N 3.05Å; V611-Q613 PolarHBondContact O-N 3.41Å; V611-Q613 VanDerWaalsContact O-N 3.11Å; V611-D614 PolarHBondContact O-N 2.78Å; V611-D614 VanDerWaalsContact O-N 3.14Å; V611-W618 HydrophobicContact CG1-CB 4.31Å; V611-W618 HydrophobicContact CG1-CG 4.24Å |
| 612 | K | 66.6 | Low | 78.7 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -63.6 | -14.1 | 173.9 | -63 | 179.6 | -171.1 | 151.3 | 0 | 113.2 | I607 P608 D609 E610 D614 L615 | I607-K612 HydrophobicContact CG2-CG 4.08Å; I607-K612 WeakPolarHBondContact O-CE 3.41Å; I607-K612 PolarHBondContact O-NZ 3.31Å; P608-K612 PolarHBondContact O-N 3.37Å; D609-K612 PolarHBondContact O-N 3.12Å; D609-K612 WeakPolarHBondContact OD1-CD 3.28Å; D609-K612 WeakPolarHBondContact OD1-CE 3.46Å; D609-K612 IonicContact OD1-NZ 2.7Å; D609-K612 PolarHBondContact OD1-NZ 2.81Å; E610-K612 VanDerWaalsContact C-N 3.33Å; K612-D614 VanDerWaalsContact C-N 3.35Å; K612-L615 HydrophobicContact CB-CD1 4.41Å; K612-L615 HydrophobicContact CG-CD1 4.35Å |
| 613 | Q | 67.6 | Low | 79.6 | Confident | 171 Ų | 171 | 61.8 Ų | 61.8 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -74.3 | -19.2 | 174.7 | -58.1 | -174.9 | 11.2 | 0 | 0 | 114.1 | E610 V611 | E610-Q613 WeakPolarHBondContact O-CB 3.11Å; E610-Q613 WeakPolarHBondContact O-CG 3.32Å; E610-Q613 PolarHBondContact O-N 3.18Å; V611-Q613 PolarHBondContact O-N 3.41Å; V611-Q613 VanDerWaalsContact O-N 3.11Å |
| 614 | D | 81.9 | Confident | 80 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -134.4 | 50.9 | 179.8 | -149.2 | -38.4 | 0 | 0 | 0 | 111.1 | V611 K612 N616 S617 W618 K1905 | V611-D614 PolarHBondContact O-N 2.78Å; V611-D614 VanDerWaalsContact O-N 3.14Å; K612-D614 VanDerWaalsContact C-N 3.35Å; D614-N616 VanDerWaalsContact C-N 3.26Å; D614-N616 PolarHBondContact O-N 3.43Å; D614-S617 PolarHBondContact O-N 3.31Å; D614-S617 VanDerWaalsContact O-N 3.13Å; D614-S617 WeakPolarHBondContact OD1-CB 3.36Å; D614-W618 PolarHBondContact O-N 2.85Å; D614-K1905 IonicContact OD2-NZ 2.61Å; D614-K1905 PolarHBondContact OD2-NZ 2.86Å |
| 615 | L | 82.4 | Confident | 80.2 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.2 | -35.3 | -171.2 | -149.2 | 76.8 | 0 | 0 | 0 | 113 | S382 L604 K612 W618 F619 | S382-L615 VanDerWaalsContact OG-CD2 3.26Å; S382-L615 WeakPolarHBondContact OG-CD2 3.21Å; L604-L615 HydrophobicContact CD2-CD1 4.06Å; L604-L615 HydrophobicContact CD2-CD2 4.26Å; L604-L615 HydrophobicContact CD2-CG 4.46Å; K612-L615 HydrophobicContact CB-CD1 4.41Å; K612-L615 HydrophobicContact CG-CD1 4.35Å; L615-W618 WeakPolarHBondContact O-CB 3.29Å; L615-W618 PolarHBondContact O-N 3.49Å; L615-F619 HydrophobicContact CB-CE2 4.37Å; L615-F619 HydrophobicContact CD2-CE1 4.5Å; L615-F619 HydrophobicContact CD2-CE2 3.62Å; L615-F619 HydrophobicContact CD2-CZ 3.5Å; L615-F619 HydrophobicContact CG-CD2 4.44Å; L615-F619 HydrophobicContact CG-CE1 4.34Å; L615-F619 HydrophobicContact CG-CE2 3.77Å; L615-F619 HydrophobicContact CG-CZ 3.7Å; L615-F619 VanDerWaalsContact O-CD2 3.29Å; L615-F619 WeakPolarHBondContact O-CD2 3.48Å; L615-F619 VanDerWaalsContact O-CG 3.26Å; L615-F619 WeakPolarHBondContact O-CG 3.43Å; L615-F619 PolarHBondContact O-N 3.5Å |
| 616 | N | 86.6 | Confident | 80.8 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.7 | -68.5 | -12.5 | 0 | 0 | 0 | 112.2 | D614 W618 F619 E620 | D614-N616 VanDerWaalsContact C-N 3.26Å; D614-N616 PolarHBondContact O-N 3.43Å; N616-W618 VanDerWaalsContact C-N 3.33Å; N616-F619 PolarHBondContact O-N 3.36Å; N616-E620 PolarHBondContact O-N 2.92Å |
| 617 | S | 86.8 | Confident | 81.8 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | D614 N621 | D614-S617 PolarHBondContact O-N 3.31Å; D614-S617 VanDerWaalsContact O-N 3.13Å; D614-S617 WeakPolarHBondContact OD1-CB 3.36Å; S617-N621 WeakPolarHBondContact O-CB 3.41Å; S617-N621 PolarHBondContact O-N 2.81Å; S617-N621 PolarHBondContact O-ND2 2.91Å |
| 618 | W | 87.9 | Confident | 82.6 | Confident | 60 Ų | 60 | 74 Ų | 74 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 172.6 | -171.6 | 89.8 | 0 | 0 | 0 | 111.9 | V600 D603 I607 V611 D614 L615 N616 N621 R622 | V600-W618 HydrophobicContact CG1-CH2 4.29Å; V600-W618 HydrophobicContact CG1-CZ3 4.16Å; D603-W618 HydrophobicContact CB-CH2 3.77Å; D603-W618 HydrophobicContact CB-CZ2 4.16Å; I607-W618 HydrophobicContact CD1-CD2 3.67Å; I607-W618 VanDerWaalsContact CD1-CE2 3.49Å; I607-W618 HydrophobicContact CD1-CE3 3.89Å; I607-W618 HydrophobicContact CD1-CG 4.33Å; I607-W618 HydrophobicContact CD1-CH2 3.85Å; I607-W618 HydrophobicContact CD1-CZ2 3.61Å; I607-W618 HydrophobicContact CD1-CZ3 3.98Å; I607-W618 HydrophobicContact CG1-CZ2 4.35Å; V611-W618 HydrophobicContact CG1-CB 4.31Å; V611-W618 HydrophobicContact CG1-CG 4.24Å; D614-W618 PolarHBondContact O-N 2.85Å; L615-W618 WeakPolarHBondContact O-CB 3.29Å; L615-W618 PolarHBondContact O-N 3.49Å; N616-W618 VanDerWaalsContact C-N 3.33Å; W618-N621 PolarHBondContact O-N 2.86Å; W618-R622 HydrophobicContact CE3-CB 4.35Å; W618-R622 HydrophobicContact CH2-CB 4.26Å; W618-R622 HydrophobicContact CH2-CG 3.92Å; W618-R622 HydrophobicContact CZ3-CB 4.12Å; W618-R622 HydrophobicContact CZ3-CG 4.08Å; W618-R622 WeakPolarHBondContact O-CB 3.21Å; W618-R622 PolarHBondContact O-N 3.45Å |
| 619 | F | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62 | -44 | 176.6 | -69 | -34.3 | 0 | 0 | 0 | 113.4 | S382 I385 Y386 M389 L604 L615 N616 N621 R622 L623 | S382-F619 WeakPolarHBondContact O-CZ 3.46Å; I385-F619 HydrophobicContact CB-CE2 4.15Å; I385-F619 HydrophobicContact CG2-CD2 4.11Å; I385-F619 HydrophobicContact CG2-CE2 3.84Å; Y386-F619 HydrophobicContact CD2-CB 3.75Å; Y386-F619 AromaticContact CD2-CD1 3.25Å; Y386-F619 HydrophobicContact CD2-CD1 3.25Å; Y386-F619 HydrophobicContact CD2-CD2 4.44Å; Y386-F619 AromaticContact CD2-CE1 3.93Å; Y386-F619 HydrophobicContact CD2-CE1 3.93Å; Y386-F619 AromaticContact CD2-CG 3.59Å; Y386-F619 HydrophobicContact CD2-CG 3.59Å; Y386-F619 HydrophobicContact CE2-CB 4.15Å; Y386-F619 AromaticContact CE2-CD1 4Å; Y386-F619 HydrophobicContact CE2-CD1 4Å; Y386-F619 HydrophobicContact CE2-CG 4.37Å; Y386-F619 AromaticContact CG-CD1 3.86Å; Y386-F619 HydrophobicContact CG-CD1 3.86Å; Y386-F619 HydrophobicContact CG-CE1 4.06Å; Y386-F619 HydrophobicContact CG-CG 4.4Å; M389-F619 HydrophobicContact CE-CB 3.8Å; M389-F619 HydrophobicContact SD-CB 3.52Å; M389-F619 VanDerWaalsContact SD-CB 3.52Å; M389-F619 HydrophobicContact SD-CD2 3.78Å; M389-F619 HydrophobicContact SD-CG 4.05Å; L604-F619 HydrophobicContact CD2-CE1 4Å; L604-F619 HydrophobicContact CD2-CZ 4.09Å; L615-F619 HydrophobicContact CB-CE2 4.37Å; L615-F619 HydrophobicContact CD2-CE1 4.5Å; L615-F619 HydrophobicContact CD2-CE2 3.62Å; L615-F619 HydrophobicContact CD2-CZ 3.5Å; L615-F619 HydrophobicContact CG-CD2 4.44Å; L615-F619 HydrophobicContact CG-CE1 4.34Å; L615-F619 HydrophobicContact CG-CE2 3.77Å; L615-F619 HydrophobicContact CG-CZ 3.7Å; L615-F619 VanDerWaalsContact O-CD2 3.29Å; L615-F619 WeakPolarHBondContact O-CD2 3.48Å; L615-F619 VanDerWaalsContact O-CG 3.26Å; L615-F619 WeakPolarHBondContact O-CG 3.43Å; L615-F619 PolarHBondContact O-N 3.5Å; N616-F619 PolarHBondContact O-N 3.36Å; F619-N621 VanDerWaalsContact C-N 3.35Å; F619-N621 PolarHBondContact O-N 2.8Å; F619-R622 PolarHBondContact O-N 3.34Å; F619-L623 WeakPolarHBondContact O-CG 3.23Å; F619-L623 PolarHBondContact O-N 3.27Å |
| 620 | E | 90.6 | Very high | 85.1 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 173.3 | -82.6 | -163.9 | -149 | 0 | 0 | 111.7 | M389 N616 R622 L623 K624 | M389-E620 HydrophobicContact CE-CG 3.86Å; N616-E620 PolarHBondContact O-N 2.92Å; E620-R622 VanDerWaalsContact C-N 3.3Å; E620-R622 PolarHBondContact O-N 3.17Å; E620-L623 PolarHBondContact O-N 3.42Å; E620-K624 WeakPolarHBondContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CD 3.19Å; E620-K624 VanDerWaalsContact O-CG 3.27Å; E620-K624 WeakPolarHBondContact O-CG 3.39Å; E620-K624 PolarHBondContact O-N 3.01Å; E620-K624 IonicContact OE2-NZ 2.64Å; E620-K624 PolarHBondContact OE2-NZ 3.09Å |
| 621 | N | 89.3 | Confident | 86.5 | Confident | 90 Ų | 90 | 65 Ų | 65 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.7 | -32.1 | 179.6 | -72.7 | -52.4 | 0 | 0 | 0 | 112 | S617 W618 F619 S625 | S617-N621 WeakPolarHBondContact O-CB 3.41Å; S617-N621 PolarHBondContact O-N 2.81Å; S617-N621 PolarHBondContact O-ND2 2.91Å; W618-N621 PolarHBondContact O-N 2.86Å; F619-N621 VanDerWaalsContact C-N 3.35Å; F619-N621 PolarHBondContact O-N 2.8Å; N621-S625 VanDerWaalsContact O-CB 3.25Å; N621-S625 WeakPolarHBondContact O-CB 3.41Å; N621-S625 PolarHBondContact O-N 3.24Å; N621-S625 PolarHBondContact O-OG 3.48Å |
| 622 | R | 88.5 | Confident | 88.1 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 171.6 | -171.3 | 57.9 | 159.9 | 173.2 | -8.9 | 111.7 | Y386 V600 D603 W618 F619 E620 S625 K626 | Y386-R622 HydrophobicContact CE2-CB 4.3Å; Y386-R622 HydrophobicContact CE2-CG 4.29Å; V600-R622 HydrophobicContact CG1-CG 4.46Å; D603-R622 IonicContact OD1-NH2 2.7Å; D603-R622 IonicContact OD2-CZ 2.91Å; D603-R622 VanDerWaalsContact OD2-CZ 3.28Å; D603-R622 IonicContact OD2-NE 3.71Å; D603-R622 PolarHBondContact OD2-NE 2.64Å; D603-R622 IonicContact OD2-NH2 3.06Å; D603-R622 PolarHBondContact OD2-NH2 3.07Å; W618-R622 HydrophobicContact CE3-CB 4.35Å; W618-R622 HydrophobicContact CH2-CB 4.26Å; W618-R622 HydrophobicContact CH2-CG 3.92Å; W618-R622 HydrophobicContact CZ3-CB 4.12Å; W618-R622 HydrophobicContact CZ3-CG 4.08Å; W618-R622 WeakPolarHBondContact O-CB 3.21Å; W618-R622 PolarHBondContact O-N 3.45Å; F619-R622 PolarHBondContact O-N 3.34Å; E620-R622 VanDerWaalsContact C-N 3.3Å; E620-R622 PolarHBondContact O-N 3.17Å; R622-S625 PolarHBondContact O-OG 2.91Å; R622-K626 VanDerWaalsContact CZ-CE 3.4Å; R622-K626 PolarHBondContact O-N 3.31Å; R622-K626 VanDerWaalsContact O-N 3.14Å |
| 623 | L | 92.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 176.5 | -70.2 | 168.9 | 0 | 0 | 0 | 111.8 | Y386 M389 K390 L393 L595 F619 E620 K626 H627 | Y386-L623 HydrophobicContact CE2-CD1 4.38Å; Y386-L623 HydrophobicContact CE2-CD2 3.91Å; Y386-L623 HydrophobicContact CE2-CG 3.81Å; Y386-L623 WeakPolarHBondContact OH-CD2 3.25Å; M389-L623 HydrophobicContact CB-CD1 3.92Å; M389-L623 HydrophobicContact CE-CD1 4.27Å; K390-L623 HydrophobicContact CG-CD2 3.66Å; L393-L623 HydrophobicContact CD2-CD2 4.35Å; L595-L623 HydrophobicContact CD2-CD2 4.08Å; F619-L623 WeakPolarHBondContact O-CG 3.23Å; F619-L623 PolarHBondContact O-N 3.27Å; E620-L623 PolarHBondContact O-N 3.42Å; L623-K626 PolarHBondContact O-N 2.91Å; L623-H627 PolarHBondContact O-N 3.31Å |
| 624 | K | 89.2 | Confident | 90.8 | Very high | 103 Ų | 103 | 56.9 Ų | 56.9 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 177.3 | -71.7 | 161.3 | 177.8 | 166 | 0 | 110.6 | E620 K626 D628 | E620-K624 WeakPolarHBondContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CD 3.19Å; E620-K624 VanDerWaalsContact O-CG 3.27Å; E620-K624 WeakPolarHBondContact O-CG 3.39Å; E620-K624 PolarHBondContact O-N 3.01Å; E620-K624 IonicContact OE2-NZ 2.64Å; E620-K624 PolarHBondContact OE2-NZ 3.09Å; K624-K626 VanDerWaalsContact C-N 3.33Å; K624-K626 PolarHBondContact O-N 3.15Å; K624-D628 WeakPolarHBondContact O-CB 3.17Å; K624-D628 PolarHBondContact O-N 2.8Å |
| 625 | S | 88.1 | Confident | 91.5 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.9 | -26.7 | -177 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | N621 R622 | N621-S625 VanDerWaalsContact O-CB 3.25Å; N621-S625 WeakPolarHBondContact O-CB 3.41Å; N621-S625 PolarHBondContact O-N 3.24Å; N621-S625 PolarHBondContact O-OG 3.48Å; R622-S625 PolarHBondContact O-OG 2.91Å |
| 626 | K | 89.8 | Confident | 92.1 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -92.8 | -42.9 | 177.5 | -84.4 | -174.6 | 168.3 | 178.8 | 0 | 114.8 | D598 R622 L623 K624 | D598-K626 VanDerWaalsContact CG-CD 3.49Å; D598-K626 WeakPolarHBondContact OD1-CD 3.02Å; D598-K626 IonicContact OD1-NZ 3.59Å; D598-K626 PolarHBondContact OD1-NZ 3.3Å; D598-K626 WeakPolarHBondContact OD2-CD 3.38Å; D598-K626 IonicContact OD2-NZ 3.4Å; R622-K626 VanDerWaalsContact CZ-CE 3.4Å; R622-K626 PolarHBondContact O-N 3.31Å; R622-K626 VanDerWaalsContact O-N 3.14Å; L623-K626 PolarHBondContact O-N 2.91Å; K624-K626 VanDerWaalsContact C-N 3.33Å; K624-K626 PolarHBondContact O-N 3.15Å |
| 627 | H | 95.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -111.4 | -15.7 | -164.5 | -55.4 | -74.2 | 0 | 0 | 0 | 114.8 | L591 D598 L623 H629 L630 V631 | L591-H627 HydrophobicContact CD1-CB 4Å; D598-H627 IonicContact OD2-CD2 2.77Å; D598-H627 IonicContact OD2-CE1 3.48Å; D598-H627 IonicContact OD2-NE2 3.16Å; D598-H627 PolarHBondContact OD2-NE2 3.44Å; L623-H627 PolarHBondContact O-N 3.31Å; H627-H629 PolarHBondContact O-N 3.09Å; H627-L630 PolarHBondContact O-N 2.8Å; H627-V631 PolarHBondContact O-N 2.92Å |
| 628 | D | 92.9 | Very high | 93 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -23.6 | -171.6 | -165.9 | 57.8 | 0 | 0 | 0 | 113.4 | K624 V631 N632 | K624-D628 WeakPolarHBondContact O-CB 3.17Å; K624-D628 PolarHBondContact O-N 2.8Å; D628-V631 PolarHBondContact O-N 3.18Å; D628-N632 VanDerWaalsContact O-CB 3.31Å; D628-N632 WeakPolarHBondContact O-CB 3.45Å; D628-N632 VanDerWaalsContact O-CG 3.32Å; D628-N632 PolarHBondContact O-N 3.36Å; D628-N632 PolarHBondContact O-ND2 3.13Å; D628-N632 PolarHBondContact OD2-ND2 2.63Å |
| 629 | H | 94 | Very high | 93.3 | Very high | 142 Ų | 142 | 60.6 Ų | 60.6 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 170.5 | -177.9 | 57.2 | 0 | 0 | 0 | 112.6 | H627 I633 | H627-H629 PolarHBondContact O-N 3.09Å; H629-I633 VanDerWaalsContact O-CG1 3.31Å; H629-I633 WeakPolarHBondContact O-CG1 3.36Å; H629-I633 PolarHBondContact O-N 3.5Å |
| 630 | L | 94.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 176.9 | -74.5 | 175.3 | 0 | 0 | 0 | 111.5 | L587 Q590 L591 N594 H627 N632 I633 I634 | L587-L630 HydrophobicContact CD2-CD2 3.93Å; Q590-L630 HydrophobicContact CB-CD1 4.18Å; L591-L630 HydrophobicContact CB-CD1 4.29Å; L591-L630 HydrophobicContact CD1-CB 4.4Å; N594-L630 WeakPolarHBondContact ND2-CD1 3.39Å; H627-L630 PolarHBondContact O-N 2.8Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 3.34Å; L630-I633 PolarHBondContact O-N 3.17Å; L630-I634 VanDerWaalsContact O-CG1 3.32Å; L630-I634 WeakPolarHBondContact O-CG1 3.34Å; L630-I634 PolarHBondContact O-N 2.7Å |
| 631 | V | 96.1 | Very high | 93.6 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 177 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L397 H627 D628 I634 K635 | L397-V631 HydrophobicContact CD1-CB 4.23Å; L397-V631 HydrophobicContact CD1-CG1 3.85Å; L397-V631 HydrophobicContact CD1-CG2 3.66Å; L397-V631 HydrophobicContact CD2-CG1 3.95Å; H627-V631 PolarHBondContact O-N 2.92Å; D628-V631 PolarHBondContact O-N 3.18Å; V631-I634 PolarHBondContact O-N 3.18Å; V631-K635 HydrophobicContact CG1-CD 4.24Å; V631-K635 WeakPolarHBondContact O-CG 3.47Å; V631-K635 PolarHBondContact O-N 2.9Å |
| 632 | N | 95.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 178 | -76.1 | -53.8 | 0 | 0 | 0 | 113 | D628 L630 K635 Q636 | D628-N632 VanDerWaalsContact O-CB 3.31Å; D628-N632 WeakPolarHBondContact O-CB 3.45Å; D628-N632 VanDerWaalsContact O-CG 3.32Å; D628-N632 PolarHBondContact O-N 3.36Å; D628-N632 PolarHBondContact O-ND2 3.13Å; D628-N632 PolarHBondContact OD2-ND2 2.63Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 3.34Å; N632-K635 PolarHBondContact O-N 2.79Å; N632-Q636 WeakPolarHBondContact O-CB 2.96Å; N632-Q636 VanDerWaalsContact O-CG 3.26Å; N632-Q636 WeakPolarHBondContact O-CG 3.49Å; N632-Q636 PolarHBondContact O-N 2.74Å |
| 633 | I | 95.4 | Very high | 94 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 30% | 0.303 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.2 | -64.9 | 165.8 | 0 | 0 | 0 | 110.4 | L587 H629 L630 Q636 N637 | L587-I633 HydrophobicContact CD1-CG2 3.68Å; L587-I633 HydrophobicContact CD2-CB 4.44Å; L587-I633 HydrophobicContact CD2-CG2 3.85Å; L587-I633 HydrophobicContact CG-CG2 4.45Å; H629-I633 VanDerWaalsContact O-CG1 3.31Å; H629-I633 WeakPolarHBondContact O-CG1 3.36Å; H629-I633 PolarHBondContact O-N 3.5Å; L630-I633 PolarHBondContact O-N 3.17Å; I633-Q636 PolarHBondContact O-N 3.24Å; I633-N637 PolarHBondContact O-N 3.39Å |
| 634 | I | 96.6 | Very high | 94 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -52.7 | 173.8 | -68 | 162.2 | 0 | 0 | 0 | 109.9 | V401 L587 I588 L591 L630 V631 Q636 N637 L638 | V401-I634 HydrophobicContact CG2-CG2 3.87Å; L587-I634 HydrophobicContact CB-CD1 4.19Å; L587-I634 HydrophobicContact CB-CG1 3.66Å; L587-I634 HydrophobicContact CD1-CG1 4.18Å; L587-I634 HydrophobicContact CG-CG1 4.46Å; I588-I634 HydrophobicContact CD1-CD1 3.99Å; L591-I634 HydrophobicContact CB-CD1 4.45Å; L591-I634 HydrophobicContact CD2-CD1 3.85Å; L630-I634 VanDerWaalsContact O-CG1 3.32Å; L630-I634 WeakPolarHBondContact O-CG1 3.34Å; L630-I634 PolarHBondContact O-N 2.7Å; V631-I634 PolarHBondContact O-N 3.18Å; I634-Q636 VanDerWaalsContact C-N 3.28Å; I634-Q636 PolarHBondContact O-N 3.07Å; I634-N637 WeakPolarHBondContact O-CB 3.35Å; I634-N637 PolarHBondContact O-N 3.15Å; I634-N637 VanDerWaalsContact O-N 3.07Å; I634-L638 HydrophobicContact CG2-CG 4.47Å; I634-L638 WeakPolarHBondContact O-CG 3.41Å; I634-L638 PolarHBondContact O-N 3.43Å |
| 635 | K | 96.4 | Very high | 94.1 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -30.3 | 179.7 | -71 | 177.5 | -174.5 | -85.8 | 0 | 113.4 | E400 V631 N632 K639 | E400-K635 IonicContact OE1-NZ 2.64Å; E400-K635 PolarHBondContact OE1-NZ 3.33Å; E400-K635 IonicContact OE2-NZ 2.63Å; E400-K635 PolarHBondContact OE2-NZ 3.44Å; V631-K635 HydrophobicContact CG1-CD 4.24Å; V631-K635 WeakPolarHBondContact O-CG 3.47Å; V631-K635 PolarHBondContact O-N 2.9Å; N632-K635 PolarHBondContact O-N 2.79Å; K635-K639 PolarHBondContact O-N 2.99Å; K635-K639 VanDerWaalsContact O-N 3.14Å |
| 636 | Q | 95.5 | Very high | 94.3 | Very high | 122 Ų | 122 | 55 Ų | 55 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 171.6 | -74.3 | 173.1 | 26.6 | 0 | 0 | 112.5 | N632 I633 I634 K639 A640 | N632-Q636 WeakPolarHBondContact O-CB 2.96Å; N632-Q636 VanDerWaalsContact O-CG 3.26Å; N632-Q636 WeakPolarHBondContact O-CG 3.49Å; N632-Q636 PolarHBondContact O-N 2.74Å; I633-Q636 PolarHBondContact O-N 3.24Å; I634-Q636 VanDerWaalsContact C-N 3.28Å; I634-Q636 PolarHBondContact O-N 3.07Å; Q636-K639 PolarHBondContact O-N 2.87Å; Q636-A640 PolarHBondContact O-N 3.26Å |
| 637 | N | 96 | Very high | 94.4 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 173 | 172.7 | -65.7 | 0 | 0 | 0 | 111.6 | M580 Q583 R584 I633 I634 K639 A640 | M580-N637 WeakPolarHBondContact CG-ND2 3.29Å; M580-N637 WeakPolarHBondContact CG-OD1 3.45Å; M580-N637 PolarHBondContact O-ND2 2.98Å; Q583-N637 WeakPolarHBondContact CB-ND2 3.25Å; Q583-N637 PolarHBondContact OE1-ND2 3.25Å; R584-N637 WeakPolarHBondContact CG-OD1 3.09Å; R584-N637 PolarHBondContact NE-OD1 3.34Å; I633-N637 PolarHBondContact O-N 3.39Å; I634-N637 WeakPolarHBondContact O-CB 3.35Å; I634-N637 PolarHBondContact O-N 3.15Å; I634-N637 VanDerWaalsContact O-N 3.07Å; N637-K639 VanDerWaalsContact C-N 3.32Å; N637-K639 PolarHBondContact O-N 3.39Å; N637-A640 WeakPolarHBondContact O-CB 3.36Å; N637-A640 PolarHBondContact O-N 2.93Å; N637-A640 VanDerWaalsContact O-N 3.12Å |
| 638 | L | 95.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 173.8 | -64.1 | -170.2 | 0 | 0 | 0 | 111.9 | E400 V401 K404 I634 A640 Q641 | E400-L638 HydrophobicContact CB-CD1 3.84Å; V401-L638 HydrophobicContact CG2-CD1 4.48Å; V401-L638 HydrophobicContact CG2-CD2 3.98Å; K404-L638 HydrophobicContact CB-CD2 3.97Å; K404-L638 HydrophobicContact CG-CB 4.47Å; K404-L638 HydrophobicContact CG-CD2 4.28Å; I634-L638 HydrophobicContact CG2-CG 4.47Å; I634-L638 WeakPolarHBondContact O-CG 3.41Å; I634-L638 PolarHBondContact O-N 3.43Å; L638-A640 VanDerWaalsContact C-N 3.32Å; L638-A640 PolarHBondContact O-N 3.29Å; L638-Q641 WeakPolarHBondContact O-CB 3.44Å; L638-Q641 PolarHBondContact O-N 3.47Å |
| 639 | K | 94.7 | Very high | 94 | Very high | 144 Ų | 144 | 53 Ų | 53 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.6 | -21.3 | 176.7 | -171 | 166.1 | -175.5 | 170.9 | 0 | 114 | K635 Q636 N637 Q641 N643 | K635-K639 PolarHBondContact O-N 2.99Å; K635-K639 VanDerWaalsContact O-N 3.14Å; Q636-K639 PolarHBondContact O-N 2.87Å; N637-K639 VanDerWaalsContact C-N 3.32Å; N637-K639 PolarHBondContact O-N 3.39Å; K639-Q641 PolarHBondContact O-N 3.14Å; K639-N643 PolarHBondContact O-ND2 3.29Å |
| 640 | A | 93.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 52 Ų | 52 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -31 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M580 Q636 N637 L638 E642 N643 I644 | M580-A640 HydrophobicContact SD-CB 4.39Å; Q636-A640 PolarHBondContact O-N 3.26Å; N637-A640 WeakPolarHBondContact O-CB 3.36Å; N637-A640 PolarHBondContact O-N 2.93Å; N637-A640 VanDerWaalsContact O-N 3.12Å; L638-A640 VanDerWaalsContact C-N 3.32Å; L638-A640 PolarHBondContact O-N 3.29Å; A640-E642 PolarHBondContact O-N 2.94Å; A640-N643 PolarHBondContact O-N 2.64Å; A640-I644 PolarHBondContact O-N 2.66Å |
| 641 | Q | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51.4 | -49.2 | -179.2 | 178.9 | 166.7 | -43.5 | 0 | 0 | 113.5 | K404 L408 M580 R584 L638 K639 N643 I644 Q645 | K404-Q641 PolarHBondContact O-NE2 3.3Å; K404-Q641 PolarHBondContact O-OE1 3.04Å; K404-Q641 VanDerWaalsContact O-OE1 3.07Å; L408-Q641 HydrophobicContact CD1-CG 4.23Å; M580-Q641 HydrophobicContact CE-CB 3.89Å; M580-Q641 HydrophobicContact CE-CG 4.07Å; M580-Q641 HydrophobicContact SD-CB 3.83Å; R584-Q641 VanDerWaalsContact CZ-OE1 3.3Å; L638-Q641 WeakPolarHBondContact O-CB 3.44Å; L638-Q641 PolarHBondContact O-N 3.47Å; K639-Q641 PolarHBondContact O-N 3.14Å; Q641-N643 PolarHBondContact O-N 2.74Å; Q641-I644 PolarHBondContact O-N 3.46Å; Q641-Q645 HydrophobicContact CG-CG 4.05Å; Q641-Q645 WeakPolarHBondContact O-CG 3.11Å; Q641-Q645 PolarHBondContact O-N 3.34Å |
| 642 | E | 93.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -33.3 | -174.2 | -69.9 | 159.8 | -167.8 | 0 | 0 | 112.3 | K404 A640 S646 | K404-E642 IonicContact NZ-OE1 2.8Å; K404-E642 PolarHBondContact NZ-OE1 3.16Å; A640-E642 PolarHBondContact O-N 2.94Å; E642-S646 WeakPolarHBondContact O-CB 3.34Å; E642-S646 PolarHBondContact O-N 2.9Å; E642-S646 VanDerWaalsContact O-N 3.15Å; E642-S646 PolarHBondContact O-OG 3.14Å |
| 643 | N | 92.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74 | -37.4 | 175.5 | -50.6 | -75 | 0 | 0 | 0 | 112.1 | K639 A640 Q641 A647 | K639-N643 PolarHBondContact O-ND2 3.29Å; A640-N643 PolarHBondContact O-N 2.64Å; Q641-N643 PolarHBondContact O-N 2.74Å; N643-A647 PolarHBondContact O-N 2.99Å |
| 644 | I | 92.2 | Very high | 91.8 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 178.4 | -60.7 | 164.9 | 0 | 0 | 0 | 110.1 | K576 V577 M580 A640 Q641 A647 L648 | K576-I644 HydrophobicContact CG-CD1 4.01Å; K576-I644 HydrophobicContact CG-CG1 4.42Å; V577-I644 HydrophobicContact CG2-CG2 3.57Å; M580-I644 HydrophobicContact CE-CD1 4.49Å; M580-I644 HydrophobicContact SD-CD1 3.84Å; A640-I644 PolarHBondContact O-N 2.66Å; Q641-I644 PolarHBondContact O-N 3.46Å; I644-A647 PolarHBondContact O-N 3.33Å; I644-L648 HydrophobicContact CG2-CD1 4.33Å; I644-L648 PolarHBondContact O-N 2.87Å; I644-L648 VanDerWaalsContact O-N 3.15Å |
| 645 | Q | 92.8 | Very high | 91 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 174 | -69 | -179.3 | -52 | 0 | 0 | 110.6 | L408 F411 Q641 A647 L648 I649 | L408-Q645 HydrophobicContact CD1-CG 4.34Å; F411-Q645 HydrophobicContact CD1-CB 4.03Å; F411-Q645 HydrophobicContact CD1-CG 3.54Å; F411-Q645 HydrophobicContact CD2-CB 4.38Å; F411-Q645 HydrophobicContact CD2-CG 4.41Å; F411-Q645 HydrophobicContact CE1-CB 3.67Å; F411-Q645 HydrophobicContact CE1-CG 3.68Å; F411-Q645 HydrophobicContact CE2-CB 4.06Å; F411-Q645 HydrophobicContact CG-CB 4.37Å; F411-Q645 HydrophobicContact CG-CG 3.95Å; F411-Q645 HydrophobicContact CZ-CB 3.71Å; F411-Q645 HydrophobicContact CZ-CG 4.19Å; F411-Q645 WeakPolarHBondContact CZ-O 3.28Å; Q641-Q645 HydrophobicContact CG-CG 4.05Å; Q641-Q645 WeakPolarHBondContact O-CG 3.11Å; Q641-Q645 PolarHBondContact O-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.01Å; Q645-L648 PolarHBondContact O-N 3.38Å; Q645-L648 VanDerWaalsContact O-N 3.1Å; Q645-I649 WeakPolarHBondContact O-CG1 3.38Å; Q645-I649 PolarHBondContact O-N 3.02Å; Q645-I649 VanDerWaalsContact O-N 3.1Å |
| 646 | S | 92.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | E642 L648 I649 D650 | E642-S646 WeakPolarHBondContact O-CB 3.34Å; E642-S646 PolarHBondContact O-N 2.9Å; E642-S646 VanDerWaalsContact O-N 3.15Å; E642-S646 PolarHBondContact O-OG 3.14Å; S646-L648 VanDerWaalsContact C-N 3.29Å; S646-L648 PolarHBondContact O-N 3.24Å; S646-I649 PolarHBondContact O-N 3.17Å; S646-I649 VanDerWaalsContact O-N 3.17Å; S646-D650 PolarHBondContact O-N 2.99Å |
| 647 | A | 91.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L573 N643 I644 Q645 L651 | L573-A647 HydrophobicContact CD1-CB 3.91Å; L573-A647 HydrophobicContact CD2-CB 3.89Å; N643-A647 PolarHBondContact O-N 2.99Å; I644-A647 PolarHBondContact O-N 3.33Å; Q645-A647 PolarHBondContact O-N 3.01Å; A647-L651 WeakPolarHBondContact O-CB 3.36Å; A647-L651 PolarHBondContact O-N 3.2Å |
| 648 | L | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74 | -31.5 | 175 | -75.6 | 166.8 | 0 | 0 | 0 | 112.8 | F411 L412 L415 L573 V577 I644 Q645 S646 N652 | F411-L648 HydrophobicContact CE1-CB 4.05Å; F411-L648 HydrophobicContact CE1-CD1 4.04Å; F411-L648 HydrophobicContact CZ-CB 4.15Å; L412-L648 HydrophobicContact CD2-CD1 3.95Å; L415-L648 HydrophobicContact CD1-CB 3.79Å; L415-L648 HydrophobicContact CD1-CD1 4.35Å; L573-L648 HydrophobicContact CB-CD2 3.66Å; L573-L648 HydrophobicContact CB-CG 4.12Å; L573-L648 HydrophobicContact CD1-CD2 3.88Å; L573-L648 HydrophobicContact CD1-CG 4.1Å; L573-L648 HydrophobicContact CG-CD2 4.44Å; V577-L648 HydrophobicContact CG2-CD1 4.1Å; I644-L648 HydrophobicContact CG2-CD1 4.33Å; I644-L648 PolarHBondContact O-N 2.87Å; I644-L648 VanDerWaalsContact O-N 3.15Å; Q645-L648 PolarHBondContact O-N 3.38Å; Q645-L648 VanDerWaalsContact O-N 3.1Å; S646-L648 VanDerWaalsContact C-N 3.29Å; S646-L648 PolarHBondContact O-N 3.24Å; L648-N652 WeakPolarHBondContact O-CB 3.35Å; L648-N652 PolarHBondContact O-N 3.19Å; L648-N652 VanDerWaalsContact O-N 3.12Å |
| 649 | I | 89.7 | Confident | 88 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -51.6 | 173 | -61.3 | 171.5 | 0 | 0 | 0 | 109.9 | F411 Q645 S646 L651 N652 A653 | F411-I649 HydrophobicContact CE2-CD1 3.96Å; F411-I649 HydrophobicContact CE2-CG1 3.7Å; F411-I649 HydrophobicContact CZ-CD1 4.4Å; F411-I649 HydrophobicContact CZ-CG1 3.78Å; Q645-I649 WeakPolarHBondContact O-CG1 3.38Å; Q645-I649 PolarHBondContact O-N 3.02Å; Q645-I649 VanDerWaalsContact O-N 3.1Å; S646-I649 PolarHBondContact O-N 3.17Å; S646-I649 VanDerWaalsContact O-N 3.17Å; I649-L651 VanDerWaalsContact C-N 3.31Å; I649-L651 PolarHBondContact O-N 3.43Å; I649-N652 PolarHBondContact O-N 2.96Å; I649-A653 PolarHBondContact O-N 3.02Å |
| 650 | D | 89.6 | Confident | 87.4 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.7 | -43.4 | -178.1 | -69.7 | -25.6 | 0 | 0 | 0 | 111.3 | S646 A653 E654 | S646-D650 PolarHBondContact O-N 2.99Å; D650-A653 PolarHBondContact O-N 3.3Å; D650-E654 PolarHBondContact O-N 3.46Å; D650-E654 VanDerWaalsContact O-N 3.16Å |
| 651 | L | 86.5 | Confident | 86.9 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 178.7 | -166.9 | 72.3 | 0 | 0 | 0 | 112.9 | I566 E569 S570 L573 A647 I649 A653 E654 F655 | I566-L651 HydrophobicContact CG2-CD1 3.9Å; I566-L651 HydrophobicContact CG2-CG 4.03Å; E569-L651 HydrophobicContact CB-CD1 4.12Å; E569-L651 HydrophobicContact CB-CD2 4.34Å; E569-L651 HydrophobicContact CG-CD1 4.11Å; E569-L651 HydrophobicContact CG-CD2 4.4Å; S570-L651 VanDerWaalsContact CA-CD2 3.43Å; S570-L651 VanDerWaalsContact N-CD2 3.32Å; L573-L651 HydrophobicContact CD1-CD2 4.12Å; A647-L651 WeakPolarHBondContact O-CB 3.36Å; A647-L651 PolarHBondContact O-N 3.2Å; I649-L651 VanDerWaalsContact C-N 3.31Å; I649-L651 PolarHBondContact O-N 3.43Å; L651-A653 VanDerWaalsContact C-N 3.35Å; L651-E654 PolarHBondContact O-N 3.5Å; L651-F655 PolarHBondContact O-N 2.82Å; L651-F655 VanDerWaalsContact O-N 3.16Å |
| 652 | N | 84.6 | Confident | 86.3 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176 | -163.4 | 26 | 0 | 0 | 0 | 111.6 | L415 L417 L648 I649 E654 F655 A656 | L415-N652 HydrophobicContact CD2-CB 3.78Å; L417-N652 HydrophobicContact CD1-CB 3.85Å; L417-N652 HydrophobicContact CG-CB 4.48Å; L648-N652 WeakPolarHBondContact O-CB 3.35Å; L648-N652 PolarHBondContact O-N 3.19Å; L648-N652 VanDerWaalsContact O-N 3.12Å; I649-N652 PolarHBondContact O-N 2.96Å; N652-E654 VanDerWaalsContact C-N 3.32Å; N652-E654 PolarHBondContact O-N 3.4Å; N652-F655 PolarHBondContact O-N 3.48Å; N652-A656 PolarHBondContact O-N 2.75Å |
| 653 | A | 86 | Confident | 85.7 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.8 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I649 D650 L651 | I649-A653 PolarHBondContact O-N 3.02Å; D650-A653 PolarHBondContact O-N 3.3Å; L651-A653 VanDerWaalsContact C-N 3.35Å |
| 654 | E | 83.5 | Confident | 85.4 | Confident | 131 Ų | 131 | 59 Ų | 59 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.5 | -36.7 | 172.5 | -167.9 | -179.5 | 171.7 | 0 | 0 | 112.2 | I566 D650 L651 N652 | I566-E654 HydrophobicContact CD1-CG 3.99Å; D650-E654 PolarHBondContact O-N 3.46Å; D650-E654 VanDerWaalsContact O-N 3.16Å; L651-E654 PolarHBondContact O-N 3.5Å; N652-E654 VanDerWaalsContact C-N 3.32Å; N652-E654 PolarHBondContact O-N 3.4Å |
| 655 | F | 78.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -80.1 | -36.7 | -174.4 | -164.2 | -107.2 | 0 | 0 | 0 | 114.8 | L417 M422 L563 I566 L651 N652 P657 K658 W659 | L417-F655 HydrophobicContact CD2-CD1 4.29Å; M422-F655 HydrophobicContact CB-CE1 4.01Å; M422-F655 HydrophobicContact CB-CZ 3.99Å; M422-F655 HydrophobicContact CE-CD1 4.27Å; M422-F655 HydrophobicContact CE-CE1 4.01Å; M422-F655 HydrophobicContact CG-CE1 3.98Å; M422-F655 HydrophobicContact CG-CZ 4.46Å; M422-F655 HydrophobicContact SD-CD1 3.98Å; M422-F655 HydrophobicContact SD-CE1 3.37Å; M422-F655 WeakPolarHBondContact SD-CE1 3.44Å; M422-F655 HydrophobicContact SD-CZ 4.14Å; L563-F655 HydrophobicContact CD2-CE2 3.57Å; L563-F655 HydrophobicContact CD2-CZ 3.73Å; L563-F655 HydrophobicContact CG-CE2 3.97Å; I566-F655 HydrophobicContact CB-CD2 4.09Å; I566-F655 HydrophobicContact CD1-CD2 4.01Å; I566-F655 HydrophobicContact CG2-CB 4.03Å; I566-F655 HydrophobicContact CG2-CD2 3.52Å; I566-F655 HydrophobicContact CG2-CE2 4.34Å; I566-F655 HydrophobicContact CG2-CG 4.08Å; L651-F655 PolarHBondContact O-N 2.82Å; L651-F655 VanDerWaalsContact O-N 3.16Å; N652-F655 PolarHBondContact O-N 3.48Å; F655-P657 VanDerWaalsContact O-N 3.11Å; F655-K658 PolarHBondContact O-N 3.4Å; F655-K658 VanDerWaalsContact O-N 3.07Å; F655-W659 HydrophobicContact CD1-CB 4.08Å; F655-W659 HydrophobicContact CE1-CB 3.87Å; F655-W659 HydrophobicContact CE1-CG 4.46Å; F655-W659 PolarHBondContact O-N 2.98Å |
| 656 | A | 81.4 | Confident | 84.8 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -48.9 | -41.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N652 K658 W659 T660 | N652-A656 PolarHBondContact O-N 2.75Å; A656-K658 VanDerWaalsContact C-N 3.34Å; A656-K658 PolarHBondContact O-N 3.12Å; A656-W659 PolarHBondContact O-N 3.45Å; A656-T660 PolarHBondContact O-N 3.13Å; A656-T660 PolarHBondContact O-OG1 3.24Å |
| 657 | P | 82.6 | Confident | 84.4 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 60% | 0.597 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.7 | -37.4 | -179.3 | -23.8 | 35.1 | 0 | 0 | 0 | 113.9 | F655 | F655-P657 VanDerWaalsContact O-N 3.11Å |
| 658 | K | 79.8 | Confident | 84.2 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.6 | -25.7 | -178.9 | -63.8 | -162 | 175.2 | -172.2 | 0 | 112.6 | D560 T562 L563 F655 A656 L662 | D560-K658 IonicContact OD2-NZ 3.13Å; D560-K658 PolarHBondContact OD2-NZ 3.16Å; T562-K658 PolarHBondContact OG1-NZ 2.67Å; L563-K658 HydrophobicContact CD1-CB 4.31Å; L563-K658 HydrophobicContact CD1-CD 3.74Å; L563-K658 HydrophobicContact CG-CD 4.35Å; F655-K658 PolarHBondContact O-N 3.4Å; F655-K658 VanDerWaalsContact O-N 3.07Å; A656-K658 VanDerWaalsContact C-N 3.34Å; A656-K658 PolarHBondContact O-N 3.12Å; K658-L662 WeakPolarHBondContact O-CG 3.31Å; K658-L662 PolarHBondContact O-N 3.01Å |
| 659 | W | 78.5 | Confident | 84.2 | Confident | 86 Ų | 86 | 65 Ų | 65 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | 178.1 | -133.2 | 0 | 0 | 0 | 111.9 | M422 F655 A656 E661 L662 S663 | M422-W659 HydrophobicContact CB-CE3 4.05Å; M422-W659 HydrophobicContact CB-CZ3 3.99Å; M422-W659 HydrophobicContact CE-CD2 3.98Å; M422-W659 HydrophobicContact CE-CG 4.07Å; M422-W659 HydrophobicContact CG-CD2 4.05Å; M422-W659 HydrophobicContact CG-CE3 3.68Å; M422-W659 HydrophobicContact CG-CH2 4.04Å; M422-W659 HydrophobicContact CG-CZ2 4.37Å; M422-W659 HydrophobicContact CG-CZ3 3.69Å; F655-W659 HydrophobicContact CD1-CB 4.08Å; F655-W659 HydrophobicContact CE1-CB 3.87Å; F655-W659 HydrophobicContact CE1-CG 4.46Å; F655-W659 PolarHBondContact O-N 2.98Å; A656-W659 PolarHBondContact O-N 3.45Å; W659-E661 PolarHBondContact O-N 2.81Å; W659-L662 HydrophobicContact CE3-CB 4.39Å; W659-L662 PolarHBondContact O-N 2.98Å; W659-S663 WeakPolarHBondContact O-CB 3.34Å; W659-S663 PolarHBondContact O-N 3.33Å |
| 660 | T | 81.2 | Confident | 84 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 177.5 | -51.8 | 0 | 0 | 0 | 0 | 112 | A656 S663 E664 | A656-T660 PolarHBondContact O-N 3.13Å; A656-T660 PolarHBondContact O-OG1 3.24Å; T660-S663 PolarHBondContact O-N 3.12Å; T660-E664 PolarHBondContact O-N 3Å |
| 661 | E | 83.1 | Confident | 83.9 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 177.9 | -176.6 | 179.6 | -168 | 0 | 0 | 112.2 | L557 W659 S663 I665 | L557-E661 HydrophobicContact CD1-CG 4.38Å; W659-E661 PolarHBondContact O-N 2.81Å; E661-S663 VanDerWaalsContact C-N 3.31Å; E661-S663 PolarHBondContact O-N 2.94Å; E661-I665 HydrophobicContact CG-CD1 4.34Å; E661-I665 WeakPolarHBondContact O-CG1 3.32Å; E661-I665 PolarHBondContact O-N 2.85Å |
| 662 | L | 83 | Confident | 83.9 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 177.4 | -70.2 | 171.2 | 0 | 0 | 0 | 112.4 | V554 L557 I558 L563 K658 W659 R666 | V554-L662 HydrophobicContact CB-CD2 3.94Å; V554-L662 HydrophobicContact CG1-CD2 3.9Å; V554-L662 WeakPolarHBondContact CG1-O 3.45Å; L557-L662 HydrophobicContact CB-CD2 3.74Å; L557-L662 HydrophobicContact CD1-CD2 4.31Å; I558-L662 HydrophobicContact CG1-CD2 4.07Å; L563-L662 HydrophobicContact CD2-CD1 3.88Å; K658-L662 WeakPolarHBondContact O-CG 3.31Å; K658-L662 PolarHBondContact O-N 3.01Å; W659-L662 HydrophobicContact CE3-CB 4.39Å; W659-L662 PolarHBondContact O-N 2.98Å; L662-R666 WeakPolarHBondContact O-CG 3.39Å; L662-R666 PolarHBondContact O-N 3.21Å |
| 663 | S | 81.9 | Confident | 84.1 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 178.8 | -169 | 0 | 0 | 0 | 0 | 111.8 | W659 T660 E661 I665 R666 T667 | W659-S663 WeakPolarHBondContact O-CB 3.34Å; W659-S663 PolarHBondContact O-N 3.33Å; T660-S663 PolarHBondContact O-N 3.12Å; E661-S663 VanDerWaalsContact C-N 3.31Å; E661-S663 PolarHBondContact O-N 2.94Å; S663-I665 VanDerWaalsContact C-N 3.28Å; S663-I665 PolarHBondContact O-N 2.78Å; S663-R666 PolarHBondContact O-N 2.58Å; S663-R666 VanDerWaalsContact O-N 3.16Å; S663-T667 PolarHBondContact O-N 3.03Å; S663-T667 PolarHBondContact O-OG1 2.88Å |
| 664 | E | 85.8 | Confident | 84.1 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.9 | -41.5 | 178.8 | -82.2 | -164.1 | -145.9 | 0 | 0 | 113.2 | T660 T667 K668 | T660-E664 PolarHBondContact O-N 3Å; E664-T667 PolarHBondContact O-N 2.72Å; E664-K668 WeakPolarHBondContact O-CB 3.22Å; E664-K668 WeakPolarHBondContact O-CD 3.15Å; E664-K668 VanDerWaalsContact O-CG 3.32Å; E664-K668 WeakPolarHBondContact O-CG 3.49Å; E664-K668 PolarHBondContact O-N 2.84Å; E664-K668 IonicContact OE2-NZ 3.99Å; E664-K668 PolarHBondContact OE2-NZ 3.14Å |
| 665 | I | 86.8 | Confident | 84.2 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | -178.2 | -65.4 | 168.3 | 0 | 0 | 0 | 110.8 | P552 V554 L557 E661 S663 R669 | P552-I665 HydrophobicContact CB-CG2 3.92Å; V554-I665 HydrophobicContact CG1-CB 3.77Å; V554-I665 HydrophobicContact CG1-CG2 3.62Å; L557-I665 HydrophobicContact CD1-CD1 3.31Å; E661-I665 HydrophobicContact CG-CD1 4.34Å; E661-I665 WeakPolarHBondContact O-CG1 3.32Å; E661-I665 PolarHBondContact O-N 2.85Å; S663-I665 VanDerWaalsContact C-N 3.28Å; S663-I665 PolarHBondContact O-N 2.78Å; I665-R669 WeakPolarHBondContact O-CB 3.47Å; I665-R669 PolarHBondContact O-N 3.41Å; I665-R669 VanDerWaalsContact O-N 3.13Å |
| 666 | R | 85 | Confident | 84.5 | Confident | 55 Ų | 55 | 63 Ų | 63 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 174.4 | -72.1 | 175.5 | -179.5 | 167 | 8.1 | 111.8 | K421 M422 A424 V554 L662 S663 R669 S670 | K421-R666 PolarHBondContact O-NH1 2.74Å; K421-R666 PolarHBondContact O-NH2 2.82Å; M422-R666 PolarHBondContact O-NH2 2.83Å; A424-R666 PolarHBondContact O-NH2 3.09Å; V554-R666 HydrophobicContact CG1-CG 3.92Å; V554-R666 HydrophobicContact CG2-CG 4.31Å; L662-R666 WeakPolarHBondContact O-CG 3.39Å; L662-R666 PolarHBondContact O-N 3.21Å; S663-R666 PolarHBondContact O-N 2.58Å; S663-R666 VanDerWaalsContact O-N 3.16Å; R666-R669 WeakPolarHBondContact O-CB 3.35Å; R666-R669 PolarHBondContact O-N 2.9Å; R666-S670 PolarHBondContact O-N 3.48Å; R666-S670 VanDerWaalsContact O-N 3.17Å |
| 667 | T | 84.4 | Confident | 84.7 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -52.6 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | S663 E664 R669 S670 E671 | S663-T667 PolarHBondContact O-N 3.03Å; S663-T667 PolarHBondContact O-OG1 2.88Å; E664-T667 PolarHBondContact O-N 2.72Å; T667-R669 PolarHBondContact O-N 3.24Å; T667-R669 VanDerWaalsContact O-N 3.15Å; T667-S670 PolarHBondContact O-N 3.49Å; T667-E671 PolarHBondContact O-N 3.37Å; T667-E671 VanDerWaalsContact O-N 3.08Å |
| 668 | K | 87.6 | Confident | 84.9 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.5 | -29.8 | 178.5 | -70.8 | 162.5 | -178.3 | 164.7 | 0 | 112.9 | P552 E664 Q672 | P552-K668 HydrophobicContact CG-CB 4.24Å; E664-K668 WeakPolarHBondContact O-CB 3.22Å; E664-K668 WeakPolarHBondContact O-CD 3.15Å; E664-K668 VanDerWaalsContact O-CG 3.32Å; E664-K668 WeakPolarHBondContact O-CG 3.49Å; E664-K668 PolarHBondContact O-N 2.84Å; E664-K668 IonicContact OE2-NZ 3.99Å; E664-K668 PolarHBondContact OE2-NZ 3.14Å; K668-Q672 WeakPolarHBondContact O-CG 3.48Å |
| 669 | R | 89.3 | Confident | 85 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 6% | 0.06 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 173.7 | -178 | -174 | 175 | 83.9 | -3.8 | 112.7 | D426 P552 I665 R666 T667 I673 | D426-R669 IonicContact OD1-NE 2.72Å; D426-R669 IonicContact OD2-NH1 3.37Å; P552-R669 HydrophobicContact CB-CB 4.34Å; P552-R669 VanDerWaalsContact O-CD 3.3Å; P552-R669 WeakPolarHBondContact O-CD 3.4Å; P552-R669 WeakPolarHBondContact O-CG 3.27Å; P552-R669 PolarHBondContact O-NH1 2.84Å; I665-R669 WeakPolarHBondContact O-CB 3.47Å; I665-R669 PolarHBondContact O-N 3.41Å; I665-R669 VanDerWaalsContact O-N 3.13Å; R666-R669 WeakPolarHBondContact O-CB 3.35Å; R666-R669 PolarHBondContact O-N 2.9Å; T667-R669 PolarHBondContact O-N 3.24Å; T667-R669 VanDerWaalsContact O-N 3.15Å; R669-I673 WeakPolarHBondContact O-CG1 3.44Å |
| 670 | S | 85.4 | Confident | 85.3 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.5 | -50.4 | 177.3 | -160.4 | 0 | 0 | 0 | 0 | 111.1 | R666 T667 Q672 I673 D674 | R666-S670 PolarHBondContact O-N 3.48Å; R666-S670 VanDerWaalsContact O-N 3.17Å; T667-S670 PolarHBondContact O-N 3.49Å; S670-Q672 PolarHBondContact O-N 3.02Å; S670-Q672 VanDerWaalsContact O-N 3.11Å; S670-I673 WeakPolarHBondContact O-CA 3.46Å; S670-I673 WeakPolarHBondContact O-CB 3.27Å; S670-I673 PolarHBondContact O-N 3.23Å; S670-D674 PolarHBondContact O-N 2.62Å; S670-D674 PolarHBondContact OG-OD2 3.04Å |
| 671 | E | 86.6 | Confident | 85.3 | Confident | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -52.2 | -40.4 | -178.8 | -68.3 | 171.8 | 165.5 | 0 | 0 | 112.4 | T667 N675 | T667-E671 PolarHBondContact O-N 3.37Å; T667-E671 VanDerWaalsContact O-N 3.08Å; E671-N675 WeakPolarHBondContact O-CB 3.42Å; E671-N675 PolarHBondContact O-N 3.47Å; E671-N675 PolarHBondContact O-ND2 2.99Å |
| 672 | Q | 87.8 | Confident | 85.3 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.2 | -27.3 | 177.9 | -71.5 | -176.4 | 6.8 | 0 | 0 | 113.9 | L551 K668 S670 I676 | L551-Q672 HydrophobicContact CD2-CB 3.55Å; K668-Q672 WeakPolarHBondContact O-CG 3.48Å; S670-Q672 PolarHBondContact O-N 3.02Å; S670-Q672 VanDerWaalsContact O-N 3.11Å; Q672-I676 WeakPolarHBondContact O-CG1 3.48Å |
| 673 | I | 88 | Confident | 85.4 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.9 | -46.5 | 173.9 | -67.9 | 169.1 | 0 | 0 | 0 | 109.8 | F429 P430 L433 L551 R669 S670 N675 I676 L677 | F429-I673 HydrophobicContact CD1-CD1 4.3Å; P430-I673 HydrophobicContact CG-CG2 4.09Å; L433-I673 HydrophobicContact CD1-CG2 4.38Å; L433-I673 HydrophobicContact CD2-CG2 4.3Å; L551-I673 HydrophobicContact CD1-CD1 4.17Å; L551-I673 HydrophobicContact CD1-CG1 3.98Å; L551-I673 HydrophobicContact CD2-CG1 4.04Å; R669-I673 WeakPolarHBondContact O-CG1 3.44Å; S670-I673 WeakPolarHBondContact O-CA 3.46Å; S670-I673 WeakPolarHBondContact O-CB 3.27Å; S670-I673 PolarHBondContact O-N 3.23Å; I673-N675 PolarHBondContact O-N 2.85Å; I673-I676 PolarHBondContact O-N 3.07Å; I673-L677 HydrophobicContact CG2-CD1 4.08Å; I673-L677 PolarHBondContact O-N 3.39Å; I673-L677 VanDerWaalsContact O-N 3.12Å |
| 674 | D | 85.5 | Confident | 85.3 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | -176.2 | -62.6 | -44.9 | 0 | 0 | 0 | 112 | S670 I676 L677 L678 | S670-D674 PolarHBondContact O-N 2.62Å; S670-D674 PolarHBondContact OG-OD2 3.04Å; D674-I676 VanDerWaalsContact C-N 3.31Å; D674-I676 PolarHBondContact O-N 3.09Å; D674-L677 PolarHBondContact O-N 3.33Å; D674-L678 WeakPolarHBondContact O-CG 3.33Å; D674-L678 PolarHBondContact O-N 3.3Å; D674-L678 VanDerWaalsContact O-N 3.08Å |
| 675 | N | 85.9 | Confident | 85.2 | Confident | 95 Ų | 95 | 52 Ų | 52 | 51% | 0.508 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 175.4 | -80.8 | -58.7 | 0 | 0 | 0 | 113.4 | E671 I673 A679 | E671-N675 WeakPolarHBondContact O-CB 3.42Å; E671-N675 PolarHBondContact O-N 3.47Å; E671-N675 PolarHBondContact O-ND2 2.99Å; I673-N675 PolarHBondContact O-N 2.85Å; N675-A679 PolarHBondContact O-N 3.5Å |
| 676 | I | 84.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76.8 | -34 | 178.9 | -66.2 | -57.7 | 0 | 0 | 0 | 111.6 | L433 L436 F437 I539 L540 F547 Q672 I673 D674 A679 G680 | L433-I676 HydrophobicContact CD1-CG2 4.25Å; L436-I676 HydrophobicContact CD2-CG2 4.32Å; L436-I676 VanDerWaalsContact CD2-O 3.28Å; L436-I676 WeakPolarHBondContact CD2-O 3.18Å; F437-I676 HydrophobicContact CE2-CG2 4.04Å; F437-I676 HydrophobicContact CZ-CG2 4.29Å; I539-I676 HydrophobicContact CB-CD1 3.67Å; I539-I676 HydrophobicContact CD1-CD1 3.92Å; I539-I676 HydrophobicContact CG1-CD1 4.39Å; I539-I676 HydrophobicContact CG2-CD1 3.52Å; I539-I676 HydrophobicContact CG2-CG1 4.1Å; L540-I676 HydrophobicContact CD2-CG2 3.71Å; F547-I676 HydrophobicContact CE2-CG1 3.83Å; F547-I676 HydrophobicContact CZ-CB 4.3Å; F547-I676 HydrophobicContact CZ-CG1 3.82Å; Q672-I676 WeakPolarHBondContact O-CG1 3.48Å; I673-I676 PolarHBondContact O-N 3.07Å; D674-I676 VanDerWaalsContact C-N 3.31Å; D674-I676 PolarHBondContact O-N 3.09Å; I676-A679 PolarHBondContact O-N 2.88Å; I676-G680 PolarHBondContact O-N 2.93Å |
| 677 | L | 86.9 | Confident | 85.1 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -50.2 | 171.5 | -73.3 | 168.3 | 0 | 0 | 0 | 111.6 | L433 L436 I673 D674 A679 G680 E681 | L433-L677 HydrophobicContact CB-CD2 4.42Å; L433-L677 HydrophobicContact CD1-CD2 4.39Å; L433-L677 HydrophobicContact CD1-CG 4.39Å; L436-L677 HydrophobicContact CD2-CD2 4.26Å; I673-L677 HydrophobicContact CG2-CD1 4.08Å; I673-L677 PolarHBondContact O-N 3.39Å; I673-L677 VanDerWaalsContact O-N 3.12Å; D674-L677 PolarHBondContact O-N 3.33Å; L677-A679 VanDerWaalsContact C-N 3.32Å; L677-A679 PolarHBondContact O-N 3.02Å; L677-G680 WeakPolarHBondContact O-CA 3.29Å; L677-G680 PolarHBondContact O-N 3.49Å; L677-E681 PolarHBondContact O-N 3.07Å |
| 678 | L | 85 | Confident | 85.2 | Confident | 102 Ų | 102 | 49.1 Ų | 49.1 | 53% | 0.534 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.8 | -70.7 | 169.5 | 0 | 0 | 0 | 112.9 | D674 G680 E681 A682 | D674-L678 WeakPolarHBondContact O-CG 3.33Å; D674-L678 PolarHBondContact O-N 3.3Å; D674-L678 VanDerWaalsContact O-N 3.08Å; L678-G680 VanDerWaalsContact C-N 3.33Å; L678-E681 PolarHBondContact O-N 3.2Å; L678-A682 WeakPolarHBondContact O-CB 3.4Å; L678-A682 PolarHBondContact O-N 3.45Å |
| 679 | A | 83.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F537 N675 I676 L677 E681 A682 F683 | F537-A679 WeakPolarHBondContact CE1-O 3.44Å; N675-A679 PolarHBondContact O-N 3.5Å; I676-A679 PolarHBondContact O-N 2.88Å; L677-A679 VanDerWaalsContact C-N 3.32Å; L677-A679 PolarHBondContact O-N 3.02Å; A679-E681 VanDerWaalsContact C-N 3.33Å; A679-E681 PolarHBondContact O-N 2.58Å; A679-A682 PolarHBondContact O-N 3.06Å; A679-F683 PolarHBondContact O-N 2.81Å |
| 680 | G | 83.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L436 R439 I676 L677 L678 | L436-G680 VanDerWaalsContact CD1-CA 3.48Å; R439-G680 PolarHBondContact NH2-O 2.77Å; I676-G680 PolarHBondContact O-N 2.93Å; L677-G680 WeakPolarHBondContact O-CA 3.29Å; L677-G680 PolarHBondContact O-N 3.49Å; L678-G680 VanDerWaalsContact C-N 3.33Å |
| 681 | E | 82.6 | Confident | 85.2 | Confident | 132 Ų | 132 | 51.8 Ų | 51.8 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -74.2 | -40.8 | 175.7 | -64.8 | 176.5 | 179.9 | 0 | 0 | 112 | L677 L678 A679 F683 D684 G685 | L677-E681 PolarHBondContact O-N 3.07Å; L678-E681 PolarHBondContact O-N 3.2Å; A679-E681 VanDerWaalsContact C-N 3.33Å; A679-E681 PolarHBondContact O-N 2.58Å; E681-F683 PolarHBondContact O-N 2.95Å; E681-D684 PolarHBondContact O-N 3.26Å; E681-G685 PolarHBondContact O-N 3.28Å |
| 682 | A | 82.7 | Confident | 85.3 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q533 L678 A679 G685 I686 | Q533-A682 HydrophobicContact CG-CB 3.97Å; L678-A682 WeakPolarHBondContact O-CB 3.4Å; L678-A682 PolarHBondContact O-N 3.45Å; A679-A682 PolarHBondContact O-N 3.06Å; A682-G685 PolarHBondContact O-N 3.16Å; A682-I686 WeakPolarHBondContact O-CB 3.42Å; A682-I686 WeakPolarHBondContact O-CD1 3.27Å; A682-I686 VanDerWaalsContact O-CG1 3.25Å; A682-I686 WeakPolarHBondContact O-CG1 3.42Å; A682-I686 PolarHBondContact O-N 3.3Å |
| 683 | F | 83.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 177.2 | -177.1 | -104.9 | 0 | 0 | 0 | 113 | M440 P447 L451 F537 A679 E681 G685 I686 L687 | M440-F683 HydrophobicContact CE-CD1 3.88Å; M440-F683 HydrophobicContact CE-CE1 4.15Å; M440-F683 HydrophobicContact SD-CD1 4.13Å; M440-F683 HydrophobicContact SD-CE1 4.32Å; P447-F683 HydrophobicContact CB-CD2 4.3Å; P447-F683 HydrophobicContact CB-CE1 4.1Å; P447-F683 HydrophobicContact CB-CE2 3.5Å; P447-F683 VanDerWaalsContact CB-CE2 3.5Å; P447-F683 HydrophobicContact CB-CZ 3.37Å; P447-F683 VanDerWaalsContact O-CE2 3.28Å; P447-F683 WeakPolarHBondContact O-CE2 3.42Å; P447-F683 WeakPolarHBondContact O-CZ 3.46Å; L451-F683 HydrophobicContact CB-CE2 4.22Å; L451-F683 HydrophobicContact CD2-CD2 4.31Å; L451-F683 HydrophobicContact CD2-CE2 3.96Å; F537-F683 HydrophobicContact CD1-CB 4.49Å; F537-F683 HydrophobicContact CD1-CD2 4.38Å; F537-F683 HydrophobicContact CE1-CB 3.8Å; F537-F683 HydrophobicContact CE1-CD2 4.11Å; F537-F683 HydrophobicContact CE1-CG 4.44Å; F537-F683 HydrophobicContact CZ-CB 4.26Å; F537-F683 HydrophobicContact CZ-CD2 4.18Å; A679-F683 PolarHBondContact O-N 2.81Å; E681-F683 PolarHBondContact O-N 2.95Å; F683-G685 PolarHBondContact O-N 3.15Å; F683-I686 PolarHBondContact O-N 2.98Å; F683-L687 HydrophobicContact CD1-CD1 4.07Å; F683-L687 HydrophobicContact CE1-CD1 3.42Å; F683-L687 VanDerWaalsContact CE1-CD1 3.42Å; F683-L687 HydrophobicContact CE1-CG 4.37Å; F683-L687 HydrophobicContact CE2-CD1 4.38Å; F683-L687 HydrophobicContact CZ-CD1 3.6Å; F683-L687 HydrophobicContact CZ-CG 4.23Å; F683-L687 PolarHBondContact O-N 2.86Å |
| 684 | D | 80.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.1 | -52.7 | -54.3 | 0 | 0 | 0 | 111.3 | R439 E681 I686 L687 S688 | R439-D684 IonicContact CZ-OD1 2.75Å; R439-D684 VanDerWaalsContact CZ-OD1 3.32Å; R439-D684 IonicContact CZ-OD2 2.68Å; R439-D684 IonicContact NE-OD1 2.67Å; R439-D684 VanDerWaalsContact NH1-CG 3.28Å; R439-D684 IonicContact NH1-OD1 3.95Å; R439-D684 PolarHBondContact NH1-OD1 3.25Å; R439-D684 IonicContact NH1-OD2 3.92Å; R439-D684 PolarHBondContact NH1-OD2 3.28Å; R439-D684 IonicContact NH2-OD1 3.94Å; R439-D684 PolarHBondContact NH2-OD1 2.84Å; R439-D684 IonicContact NH2-OD2 3.73Å; R439-D684 PolarHBondContact NH2-OD2 2.72Å; E681-D684 PolarHBondContact O-N 3.26Å; D684-I686 VanDerWaalsContact C-N 3.29Å; D684-I686 PolarHBondContact O-N 3.16Å; D684-L687 PolarHBondContact O-N 3.21Å; D684-S688 WeakPolarHBondContact O-CB 3.24Å; D684-S688 PolarHBondContact O-N 3.12Å |
| 685 | G | 83.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E681 A682 F683 K689 | E681-G685 PolarHBondContact O-N 3.28Å; A682-G685 PolarHBondContact O-N 3.16Å; F683-G685 PolarHBondContact O-N 3.15Å; G685-K689 VanDerWaalsContact O-CG 3.29Å; G685-K689 WeakPolarHBondContact O-CG 3.44Å; G685-K689 PolarHBondContact O-N 2.88Å |
| 686 | I | 86.4 | Confident | 86.1 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -51.1 | 174.5 | -75.2 | 163.8 | 0 | 0 | 0 | 110.8 | L451 L526 L529 I530 F537 A682 F683 D684 S688 K689 S690 | L451-I686 HydrophobicContact CD1-CG2 3.49Å; L451-I686 VanDerWaalsContact CD1-CG2 3.49Å; L451-I686 HydrophobicContact CD2-CG2 4.18Å; L451-I686 HydrophobicContact CG-CG2 4.5Å; L526-I686 HydrophobicContact CD1-CB 4.31Å; L526-I686 HydrophobicContact CD1-CG1 4.17Å; L526-I686 HydrophobicContact CD1-CG2 4.07Å; L529-I686 HydrophobicContact CB-CD1 4.3Å; L529-I686 HydrophobicContact CB-CG1 4.37Å; I530-I686 HydrophobicContact CD1-CG2 3.95Å; I530-I686 HydrophobicContact CG1-CD1 3.96Å; I530-I686 HydrophobicContact CG1-CG1 4.27Å; I530-I686 HydrophobicContact CG1-CG2 3.53Å; F537-I686 HydrophobicContact CE2-CD1 4.38Å; F537-I686 HydrophobicContact CZ-CD1 3.92Å; A682-I686 WeakPolarHBondContact O-CB 3.42Å; A682-I686 WeakPolarHBondContact O-CD1 3.27Å; A682-I686 VanDerWaalsContact O-CG1 3.25Å; A682-I686 WeakPolarHBondContact O-CG1 3.42Å; A682-I686 PolarHBondContact O-N 3.3Å; F683-I686 PolarHBondContact O-N 2.98Å; D684-I686 VanDerWaalsContact C-N 3.29Å; D684-I686 PolarHBondContact O-N 3.16Å; I686-S688 VanDerWaalsContact C-N 3.31Å; I686-S688 PolarHBondContact O-N 2.94Å; I686-K689 PolarHBondContact O-N 2.92Å; I686-K689 VanDerWaalsContact O-N 3.13Å; I686-S690 PolarHBondContact O-N 2.86Å; I686-S690 PolarHBondContact O-OG 2.85Å |
| 687 | L | 84.5 | Confident | 86.5 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 177.8 | -81 | 173.4 | 0 | 0 | 0 | 112 | E450 L451 Q454 F683 D684 K689 S690 K691 | E450-L687 HydrophobicContact CG-CD2 4.43Å; L451-L687 HydrophobicContact CB-CD2 4.03Å; L451-L687 HydrophobicContact CD1-CD2 4.03Å; L451-L687 HydrophobicContact CD1-CG 4.49Å; Q454-L687 PolarHBondContact OE1-O 2.94Å; F683-L687 HydrophobicContact CD1-CD1 4.07Å; F683-L687 HydrophobicContact CE1-CD1 3.42Å; F683-L687 VanDerWaalsContact CE1-CD1 3.42Å; F683-L687 HydrophobicContact CE1-CG 4.37Å; F683-L687 HydrophobicContact CE2-CD1 4.38Å; F683-L687 HydrophobicContact CZ-CD1 3.6Å; F683-L687 HydrophobicContact CZ-CG 4.23Å; F683-L687 PolarHBondContact O-N 2.86Å; D684-L687 PolarHBondContact O-N 3.21Å; L687-K689 VanDerWaalsContact C-N 3.33Å; L687-K689 PolarHBondContact O-N 3.19Å; L687-S690 PolarHBondContact O-N 3.48Å; L687-K691 PolarHBondContact O-N 3.4Å |
| 688 | S | 85.5 | Confident | 86.7 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | D684 I686 Q692 | D684-S688 WeakPolarHBondContact O-CB 3.24Å; D684-S688 PolarHBondContact O-N 3.12Å; I686-S688 VanDerWaalsContact C-N 3.31Å; I686-S688 PolarHBondContact O-N 2.94Å; S688-Q692 VanDerWaalsContact O-CG 3.3Å; S688-Q692 WeakPolarHBondContact O-CG 3.1Å; S688-Q692 PolarHBondContact O-N 3.01Å; S688-Q692 VanDerWaalsContact O-N 3.12Å; S688-Q692 PolarHBondContact O-NE2 2.71Å; S688-Q692 PolarHBondContact OG-NE2 3.06Å; S688-Q692 VanDerWaalsContact OG-NE2 3.09Å |
| 689 | K | 86.2 | Confident | 87 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 175.8 | -74.3 | 175.9 | 179.8 | -175.7 | 0 | 112.7 | L526 G685 I686 L687 K691 Q692 G693 | L526-K689 HydrophobicContact CD1-CB 3.73Å; L526-K689 HydrophobicContact CD1-CD 4.1Å; L526-K689 HydrophobicContact CD2-CB 4.11Å; G685-K689 VanDerWaalsContact O-CG 3.29Å; G685-K689 WeakPolarHBondContact O-CG 3.44Å; G685-K689 PolarHBondContact O-N 2.88Å; I686-K689 PolarHBondContact O-N 2.92Å; I686-K689 VanDerWaalsContact O-N 3.13Å; L687-K689 VanDerWaalsContact C-N 3.33Å; L687-K689 PolarHBondContact O-N 3.19Å; K689-K691 VanDerWaalsContact C-N 3.29Å; K689-K691 PolarHBondContact O-N 2.75Å; K689-Q692 PolarHBondContact O-N 2.77Å; K689-G693 PolarHBondContact O-N 2.78Å |
| 690 | S | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.2 | -45 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | I686 L687 G693 I694 | I686-S690 PolarHBondContact O-N 2.86Å; I686-S690 PolarHBondContact O-OG 2.85Å; L687-S690 PolarHBondContact O-N 3.48Å; S690-G693 PolarHBondContact O-N 2.86Å; S690-I694 WeakPolarHBondContact O-CG1 3.45Å; S690-I694 PolarHBondContact O-N 3.04Å |
| 691 | K | 87.9 | Confident | 87.8 | Confident | 120 Ų | 120 | 50.4 Ų | 50.4 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.4 | -172.9 | 174 | 178.7 | -179.8 | 0 | 113.2 | L687 K689 G693 I694 D695 | L687-K691 PolarHBondContact O-N 3.4Å; K689-K691 VanDerWaalsContact C-N 3.29Å; K689-K691 PolarHBondContact O-N 2.75Å; K691-G693 PolarHBondContact O-N 3.3Å; K691-I694 WeakPolarHBondContact O-CB 3.46Å; K691-I694 PolarHBondContact O-N 3.37Å; K691-D695 PolarHBondContact O-N 2.6Å |
| 692 | Q | 88.2 | Confident | 88.2 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.4 | -37.2 | 176.6 | -72.6 | 168.8 | 54.5 | 0 | 0 | 112.2 | S688 K689 F696 | S688-Q692 VanDerWaalsContact O-CG 3.3Å; S688-Q692 WeakPolarHBondContact O-CG 3.1Å; S688-Q692 PolarHBondContact O-N 3.01Å; S688-Q692 VanDerWaalsContact O-N 3.12Å; S688-Q692 PolarHBondContact O-NE2 2.71Å; S688-Q692 PolarHBondContact OG-NE2 3.06Å; S688-Q692 VanDerWaalsContact OG-NE2 3.09Å; K689-Q692 PolarHBondContact O-N 2.77Å; Q692-F696 WeakPolarHBondContact O-CB 3.36Å; Q692-F696 PolarHBondContact O-N 3.08Å |
| 693 | G | 90 | Very high | 88.6 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L458 K689 S690 K691 D695 F696 Y697 | L458-G693 VanDerWaalsContact CD1-C 3.47Å; K689-G693 PolarHBondContact O-N 2.78Å; S690-G693 PolarHBondContact O-N 2.86Å; K691-G693 PolarHBondContact O-N 3.3Å; G693-D695 PolarHBondContact O-N 3.03Å; G693-F696 PolarHBondContact O-N 2.95Å; G693-Y697 VanDerWaalsContact O-CD2 3.31Å; G693-Y697 WeakPolarHBondContact O-CD2 3.4Å; G693-Y697 PolarHBondContact O-N 3.25Å |
| 694 | I | 90 | Very high | 89 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 176.7 | -68.3 | 165.8 | 0 | 0 | 0 | 110.5 | Q454 L458 L461 S690 K691 F696 Y697 N698 | Q454-I694 HydrophobicContact CB-CD1 4.06Å; Q454-I694 HydrophobicContact CG-CD1 4.39Å; Q454-I694 WeakPolarHBondContact O-CD1 3.28Å; L458-I694 HydrophobicContact CB-CG1 3.99Å; L461-I694 HydrophobicContact CD1-CB 4.39Å; L461-I694 HydrophobicContact CD1-CG2 3.81Å; S690-I694 WeakPolarHBondContact O-CG1 3.45Å; S690-I694 PolarHBondContact O-N 3.04Å; K691-I694 WeakPolarHBondContact O-CB 3.46Å; K691-I694 PolarHBondContact O-N 3.37Å; I694-F696 VanDerWaalsContact C-N 3.3Å; I694-F696 PolarHBondContact O-N 2.98Å; I694-Y697 PolarHBondContact O-N 3.47Å; I694-N698 WeakPolarHBondContact CG2-ND2 3.26Å; I694-N698 PolarHBondContact O-N 2.91Å; I694-N698 VanDerWaalsContact O-N 3.1Å; I694-N698 PolarHBondContact O-ND2 3.13Å |
| 695 | D | 90.7 | Very high | 89.4 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | -178.3 | -64.6 | -27 | 0 | 0 | 0 | 111.4 | K691 G693 T699 | K691-D695 PolarHBondContact O-N 2.6Å; G693-D695 PolarHBondContact O-N 3.03Å; D695-T699 PolarHBondContact O-N 2.77Å; D695-T699 PolarHBondContact O-OG1 3.36Å |
| 696 | F | 93.4 | Very high | 89.7 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -54.3 | 172.2 | 173.1 | -92 | 0 | 0 | 0 | 112.8 | A515 A519 Q692 G693 I694 N698 T699 L700 | A515-F696 HydrophobicContact CB-CZ 4.38Å; A519-F696 HydrophobicContact CB-CD1 3.81Å; A519-F696 HydrophobicContact CB-CE1 3.27Å; A519-F696 HydrophobicContact CB-CZ 3.94Å; Q692-F696 WeakPolarHBondContact O-CB 3.36Å; Q692-F696 PolarHBondContact O-N 3.08Å; G693-F696 PolarHBondContact O-N 2.95Å; I694-F696 VanDerWaalsContact C-N 3.3Å; I694-F696 PolarHBondContact O-N 2.98Å; F696-N698 VanDerWaalsContact C-N 3.33Å; F696-N698 PolarHBondContact O-N 3.49Å; F696-T699 WeakPolarHBondContact O-CA 3.25Å; F696-T699 WeakPolarHBondContact O-CB 3.37Å; F696-T699 PolarHBondContact O-N 3.22Å; F696-L700 HydrophobicContact CE1-CB 4.41Å; F696-L700 HydrophobicContact CE1-CD2 3.77Å; F696-L700 HydrophobicContact CZ-CD2 4.11Å; F696-L700 PolarHBondContact O-N 3.01Å |
| 697 | Y | 93.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -36.1 | -176.2 | -82.6 | -76.9 | 0 | 0 | 0 | 112.5 | L458 L461 N516 A519 N523 G693 I694 T699 L700 I701 | L458-Y697 HydrophobicContact CD1-CD2 3.79Å; L458-Y697 HydrophobicContact CD1-CE2 4.04Å; L461-Y697 HydrophobicContact CB-CG 4.44Å; N516-Y697 WeakPolarHBondContact OD1-CE1 3.41Å; A519-Y697 HydrophobicContact CB-CE1 4.49Å; A519-Y697 HydrophobicContact CB-CE2 4.03Å; A519-Y697 WeakPolarHBondContact CB-OH 3.33Å; N523-Y697 WeakPolarHBondContact ND2-CE2 3.36Å; G693-Y697 VanDerWaalsContact O-CD2 3.31Å; G693-Y697 WeakPolarHBondContact O-CD2 3.4Å; G693-Y697 PolarHBondContact O-N 3.25Å; I694-Y697 PolarHBondContact O-N 3.47Å; Y697-T699 VanDerWaalsContact C-N 3.28Å; Y697-T699 PolarHBondContact O-N 3.39Å; Y697-L700 HydrophobicContact CD1-CD2 4.19Å; Y697-L700 HydrophobicContact CE1-CD2 4.31Å; Y697-L700 PolarHBondContact O-N 3.31Å; Y697-I701 WeakPolarHBondContact O-CB 3.35Å; Y697-I701 WeakPolarHBondContact O-CD1 3.35Å; Y697-I701 VanDerWaalsContact O-CG1 3.29Å; Y697-I701 WeakPolarHBondContact O-CG1 3.42Å; Y697-I701 PolarHBondContact O-N 3.41Å |
| 698 | N | 92 | Very high | 90.1 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 170.5 | -79.9 | -65.8 | 0 | 0 | 0 | 112.1 | L461 I694 F696 N702 | L461-N698 WeakPolarHBondContact CD1-ND2 3.48Å; I694-N698 WeakPolarHBondContact CG2-ND2 3.26Å; I694-N698 PolarHBondContact O-N 2.91Å; I694-N698 VanDerWaalsContact O-N 3.1Å; I694-N698 PolarHBondContact O-ND2 3.13Å; F696-N698 VanDerWaalsContact C-N 3.33Å; F696-N698 PolarHBondContact O-N 3.49Å; N698-N702 PolarHBondContact O-N 2.95Å; N698-N702 PolarHBondContact O-ND2 2.89Å |
| 699 | T | 91.1 | Very high | 90.3 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | D695 F696 Y697 N702 Q703 | D695-T699 PolarHBondContact O-N 2.77Å; D695-T699 PolarHBondContact O-OG1 3.36Å; F696-T699 WeakPolarHBondContact O-CA 3.25Å; F696-T699 WeakPolarHBondContact O-CB 3.37Å; F696-T699 PolarHBondContact O-N 3.22Å; Y697-T699 VanDerWaalsContact C-N 3.28Å; Y697-T699 PolarHBondContact O-N 3.39Å; T699-N702 PolarHBondContact O-N 2.91Å; T699-Q703 WeakPolarHBondContact O-CG 3.17Å; T699-Q703 PolarHBondContact O-N 3.41Å |
| 700 | L | 91.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | -179.7 | -172.7 | 67.2 | 0 | 0 | 0 | 112.5 | F469 L512 N516 F696 Y697 N702 Q703 L704 | F469-L700 HydrophobicContact CE2-CD2 3.98Å; F469-L700 HydrophobicContact CE2-CG 4.3Å; F469-L700 HydrophobicContact CZ-CD1 4.31Å; F469-L700 HydrophobicContact CZ-CD2 4.46Å; L512-L700 HydrophobicContact CB-CD1 4.33Å; L512-L700 HydrophobicContact CD2-CD1 4.08Å; N516-L700 HydrophobicContact CB-CD2 3.99Å; F696-L700 HydrophobicContact CE1-CB 4.41Å; F696-L700 HydrophobicContact CE1-CD2 3.77Å; F696-L700 HydrophobicContact CZ-CD2 4.11Å; F696-L700 PolarHBondContact O-N 3.01Å; Y697-L700 HydrophobicContact CD1-CD2 4.19Å; Y697-L700 HydrophobicContact CE1-CD2 4.31Å; Y697-L700 PolarHBondContact O-N 3.31Å; L700-N702 VanDerWaalsContact C-N 3.28Å; L700-N702 PolarHBondContact O-N 2.83Å; L700-Q703 PolarHBondContact O-N 2.93Å; L700-Q703 VanDerWaalsContact O-N 3.14Å; L700-L704 HydrophobicContact CG-CD1 4.38Å; L700-L704 WeakPolarHBondContact O-CG 3.31Å; L700-L704 PolarHBondContact O-N 3.27Å |
| 701 | I | 91.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 178.9 | -71.2 | 163.4 | 0 | 0 | 0 | 111.5 | L461 D464 E468 Y697 L704 K705 | L461-I701 HydrophobicContact CD2-CD1 3.93Å; D464-I701 HydrophobicContact CB-CD1 3.88Å; E468-I701 HydrophobicContact CG-CG2 4.48Å; Y697-I701 WeakPolarHBondContact O-CB 3.35Å; Y697-I701 WeakPolarHBondContact O-CD1 3.35Å; Y697-I701 VanDerWaalsContact O-CG1 3.29Å; Y697-I701 WeakPolarHBondContact O-CG1 3.42Å; Y697-I701 PolarHBondContact O-N 3.41Å; I701-L704 PolarHBondContact O-N 2.83Å; I701-K705 HydrophobicContact CG2-CD 3.97Å; I701-K705 WeakPolarHBondContact O-CB 3.46Å; I701-K705 WeakPolarHBondContact O-CG 3.5Å; I701-K705 PolarHBondContact O-N 3.44Å |
| 702 | N | 91.2 | Very high | 90.5 | Very high | 95 Ų | 95 | 53.9 Ų | 53.9 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.4 | -73.2 | -46.1 | 0 | 0 | 0 | 111.8 | N698 T699 L700 L704 K705 D706 | N698-N702 PolarHBondContact O-N 2.95Å; N698-N702 PolarHBondContact O-ND2 2.89Å; T699-N702 PolarHBondContact O-N 2.91Å; L700-N702 VanDerWaalsContact C-N 3.28Å; L700-N702 PolarHBondContact O-N 2.83Å; N702-L704 VanDerWaalsContact C-N 3.32Å; N702-L704 PolarHBondContact O-N 3.23Å; N702-K705 PolarHBondContact O-N 2.69Å; N702-D706 PolarHBondContact O-N 2.92Å |
| 703 | Q | 91.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 176.5 | -70.7 | 177.2 | -6.8 | 0 | 0 | 112.9 | L512 T699 L700 L707 | L512-Q703 HydrophobicContact CD1-CB 4.31Å; L512-Q703 HydrophobicContact CD2-CB 4.05Å; L512-Q703 VanDerWaalsContact CD2-OE1 3.26Å; T699-Q703 WeakPolarHBondContact O-CG 3.17Å; T699-Q703 PolarHBondContact O-N 3.41Å; L700-Q703 PolarHBondContact O-N 2.93Å; L700-Q703 VanDerWaalsContact O-N 3.14Å; Q703-L707 PolarHBondContact O-N 3.27Å |
| 704 | L | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 172.1 | -67.5 | 166.4 | 0 | 0 | 0 | 111.4 | E468 F469 L472 L512 L700 I701 N702 D706 L707 D708 | E468-L704 HydrophobicContact CB-CB 4.3Å; E468-L704 HydrophobicContact CB-CD1 3.93Å; F469-L704 HydrophobicContact CD1-CD2 3.84Å; F469-L704 HydrophobicContact CD2-CD1 3.74Å; F469-L704 HydrophobicContact CD2-CD2 4.47Å; F469-L704 HydrophobicContact CE1-CD1 4.39Å; F469-L704 HydrophobicContact CE1-CD2 3.49Å; F469-L704 VanDerWaalsContact CE1-CD2 3.49Å; F469-L704 HydrophobicContact CE2-CD1 3.51Å; F469-L704 HydrophobicContact CE2-CD2 4.15Å; F469-L704 HydrophobicContact CE2-CG 4.36Å; F469-L704 HydrophobicContact CG-CD1 4.24Å; F469-L704 HydrophobicContact CG-CD2 4.31Å; F469-L704 HydrophobicContact CZ-CD1 3.87Å; F469-L704 HydrophobicContact CZ-CD2 3.65Å; F469-L704 HydrophobicContact CZ-CG 4.22Å; L472-L704 HydrophobicContact CD2-CB 4.46Å; L472-L704 HydrophobicContact CD2-CD2 3.73Å; L512-L704 HydrophobicContact CB-CD2 4.22Å; L512-L704 HydrophobicContact CD1-CD2 3.78Å; L512-L704 HydrophobicContact CD1-CG 4.36Å; L700-L704 HydrophobicContact CG-CD1 4.38Å; L700-L704 WeakPolarHBondContact O-CG 3.31Å; L700-L704 PolarHBondContact O-N 3.27Å; I701-L704 PolarHBondContact O-N 2.83Å; N702-L704 VanDerWaalsContact C-N 3.32Å; N702-L704 PolarHBondContact O-N 3.23Å; L704-D706 VanDerWaalsContact C-N 3.25Å; L704-D706 PolarHBondContact O-N 2.8Å; L704-L707 PolarHBondContact O-N 3.06Å; L704-L707 VanDerWaalsContact O-N 3.16Å; L704-D708 WeakPolarHBondContact O-CB 3.26Å; L704-D708 PolarHBondContact O-N 2.89Å |
| 705 | K | 90.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -24.7 | -180 | -80.1 | 171 | 171 | 145.3 | 0 | 114.2 | E468 I701 N702 K709 | E468-K705 WeakPolarHBondContact OE1-CE 3.39Å; E468-K705 IonicContact OE1-NZ 2.72Å; E468-K705 PolarHBondContact OE1-NZ 3.45Å; E468-K705 WeakPolarHBondContact OE2-CE 3.43Å; I701-K705 HydrophobicContact CG2-CD 3.97Å; I701-K705 WeakPolarHBondContact O-CB 3.46Å; I701-K705 WeakPolarHBondContact O-CG 3.5Å; I701-K705 PolarHBondContact O-N 3.44Å; N702-K705 PolarHBondContact O-N 2.69Å; K705-K709 VanDerWaalsContact O-CD 3.27Å; K705-K709 WeakPolarHBondContact O-CD 3.47Å; K705-K709 WeakPolarHBondContact O-CE 3.38Å; K705-K709 VanDerWaalsContact O-CG 3.29Å; K705-K709 WeakPolarHBondContact O-CG 3.41Å; K705-K709 PolarHBondContact O-NZ 3.34Å |
| 706 | D | 90.1 | Very high | 89.7 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -81.5 | -38.8 | 172.1 | -70.5 | -22.5 | 0 | 0 | 0 | 111.9 | N702 L704 D708 K709 E710 | N702-D706 PolarHBondContact O-N 2.92Å; L704-D706 VanDerWaalsContact C-N 3.25Å; L704-D706 PolarHBondContact O-N 2.8Å; D706-D708 VanDerWaalsContact C-N 3.32Å; D706-D708 PolarHBondContact O-N 2.66Å; D706-K709 PolarHBondContact O-N 3.13Å; D706-K709 IonicContact OD1-NZ 2.6Å; D706-K709 PolarHBondContact OD1-NZ 2.96Å; D706-E710 WeakPolarHBondContact O-CG 3.42Å; D706-E710 PolarHBondContact O-N 3.04Å |
| 707 | L | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 172.7 | -177.9 | 56.8 | 0 | 0 | 0 | 112.6 | L472 F505 R508 F509 L512 Q703 L704 E710 I711 | L472-L707 HydrophobicContact CD2-CB 4.38Å; L472-L707 HydrophobicContact CD2-CD2 4.07Å; L472-L707 HydrophobicContact CD2-CG 4.19Å; F505-L707 HydrophobicContact CD1-CD1 3.62Å; F505-L707 HydrophobicContact CE1-CD1 4.14Å; F505-L707 HydrophobicContact CG-CD1 4.4Å; R508-L707 HydrophobicContact CB-CD1 4.37Å; R508-L707 HydrophobicContact CB-CD2 4.08Å; F509-L707 HydrophobicContact CB-CD2 4.18Å; L512-L707 HydrophobicContact CD1-CD2 4.04Å; Q703-L707 PolarHBondContact O-N 3.27Å; L704-L707 PolarHBondContact O-N 3.06Å; L704-L707 VanDerWaalsContact O-N 3.16Å; L707-E710 PolarHBondContact O-N 3.41Å; L707-I711 HydrophobicContact CD1-CD1 4.23Å; L707-I711 HydrophobicContact CG-CD1 4.18Å; L707-I711 PolarHBondContact O-N 3.12Å |
| 708 | D | 88.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176 | -170.2 | 60.8 | 0 | 0 | 0 | 112.4 | L472 K475 L704 D706 I711 D712 | L472-D708 HydrophobicContact CD1-CB 3.91Å; L472-D708 WeakPolarHBondContact CD1-OD1 3.48Å; K475-D708 VanDerWaalsContact CD-OD1 3.26Å; K475-D708 WeakPolarHBondContact CD-OD1 3.44Å; K475-D708 VanDerWaalsContact CE-OD1 3.3Å; K475-D708 WeakPolarHBondContact CE-OD1 3.27Å; K475-D708 IonicContact NZ-OD1 2.78Å; K475-D708 PolarHBondContact NZ-OD1 2.97Å; K475-D708 IonicContact NZ-OD2 2.82Å; K475-D708 PolarHBondContact NZ-OD2 3.43Å; L704-D708 WeakPolarHBondContact O-CB 3.26Å; L704-D708 PolarHBondContact O-N 2.89Å; D706-D708 VanDerWaalsContact C-N 3.32Å; D706-D708 PolarHBondContact O-N 2.66Å; D708-I711 PolarHBondContact O-N 3.37Å; D708-D712 PolarHBondContact O-N 3.44Å |
| 709 | K | 89.4 | Confident | 87.8 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 176 | -61.8 | 159.1 | -160.9 | 154.1 | 0 | 112.2 | K705 D706 I711 Q713 | K705-K709 VanDerWaalsContact O-CD 3.27Å; K705-K709 WeakPolarHBondContact O-CD 3.47Å; K705-K709 WeakPolarHBondContact O-CE 3.38Å; K705-K709 VanDerWaalsContact O-CG 3.29Å; K705-K709 WeakPolarHBondContact O-CG 3.41Å; K705-K709 PolarHBondContact O-NZ 3.34Å; D706-K709 PolarHBondContact O-N 3.13Å; D706-K709 IonicContact OD1-NZ 2.6Å; D706-K709 PolarHBondContact OD1-NZ 2.96Å; K709-I711 VanDerWaalsContact C-N 3.3Å; K709-Q713 WeakPolarHBondContact O-CB 3.4Å; K709-Q713 PolarHBondContact O-N 2.97Å; K709-Q713 VanDerWaalsContact O-N 3.11Å |
| 710 | E | 89.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 175.7 | -72.3 | -178.8 | -116.4 | 0 | 0 | 111.7 | F505 R508 D706 L707 F714 | F505-E710 HydrophobicContact CE1-CB 3.75Å; F505-E710 HydrophobicContact CZ-CB 3.9Å; R508-E710 IonicContact CZ-OE1 3.03Å; R508-E710 VanDerWaalsContact CZ-OE1 3.25Å; R508-E710 IonicContact CZ-OE2 2.64Å; R508-E710 IonicContact NH1-OE1 2.74Å; R508-E710 PolarHBondContact NH1-OE1 3.49Å; R508-E710 IonicContact NH1-OE2 3.4Å; R508-E710 PolarHBondContact NH1-OE2 3.48Å; R508-E710 IonicContact NH2-OE1 2.72Å; R508-E710 PolarHBondContact NH2-OE1 2.94Å; R508-E710 IonicContact NH2-OE2 2.62Å; D706-E710 WeakPolarHBondContact O-CG 3.42Å; D706-E710 PolarHBondContact O-N 3.04Å; L707-E710 PolarHBondContact O-N 3.41Å; E710-F714 WeakPolarHBondContact O-CB 3.47Å; E710-F714 PolarHBondContact O-N 3.18Å |
| 711 | I | 87.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.4 | -46.8 | 176 | -80.4 | 169.7 | 0 | 0 | 0 | 111.6 | L472 K475 M476 V479 F505 L707 D708 K709 Q713 F714 I715 | L472-I711 HydrophobicContact CD1-CD1 3.83Å; K475-I711 HydrophobicContact CB-CG2 4Å; K475-I711 HydrophobicContact CD-CG2 4.42Å; M476-I711 HydrophobicContact SD-CD1 3.73Å; M476-I711 HydrophobicContact SD-CG1 4.5Å; V479-I711 HydrophobicContact CG2-CG2 3.89Å; F505-I711 HydrophobicContact CB-CD1 4.36Å; F505-I711 HydrophobicContact CB-CG1 4.44Å; F505-I711 HydrophobicContact CD1-CG1 4.35Å; F505-I711 HydrophobicContact CD2-CG1 3.76Å; F505-I711 HydrophobicContact CE2-CG1 3.97Å; F505-I711 HydrophobicContact CG-CD1 4.38Å; F505-I711 HydrophobicContact CG-CG1 3.96Å; F505-I711 HydrophobicContact CZ-CG1 4.37Å; L707-I711 HydrophobicContact CD1-CD1 4.23Å; L707-I711 HydrophobicContact CG-CD1 4.18Å; L707-I711 PolarHBondContact O-N 3.12Å; D708-I711 PolarHBondContact O-N 3.37Å; K709-I711 VanDerWaalsContact C-N 3.3Å; I711-Q713 VanDerWaalsContact C-N 3.32Å; I711-Q713 PolarHBondContact O-N 3.22Å; I711-F714 WeakPolarHBondContact O-CB 3.33Å; I711-F714 PolarHBondContact O-N 3.29Å; I711-I715 HydrophobicContact CG2-CD1 3.86Å; I711-I715 HydrophobicContact CG2-CG1 4.44Å; I711-I715 WeakPolarHBondContact O-CG1 3.26Å; I711-I715 PolarHBondContact O-N 2.85Å |
| 712 | D | 87.4 | Confident | 85.3 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 177.4 | -80.5 | -14.1 | 0 | 0 | 0 | 111.8 | K475 D708 F714 I715 E716 | K475-D712 WeakPolarHBondContact CD-OD1 3.5Å; K475-D712 VanDerWaalsContact CE-OD1 3.26Å; K475-D712 WeakPolarHBondContact CE-OD1 3.35Å; K475-D712 IonicContact NZ-OD1 3.72Å; K475-D712 PolarHBondContact NZ-OD1 2.89Å; K475-D712 IonicContact NZ-OD2 3.58Å; K475-D712 PolarHBondContact NZ-OD2 3.24Å; D708-D712 PolarHBondContact O-N 3.44Å; D712-F714 VanDerWaalsContact C-N 3.26Å; D712-F714 PolarHBondContact O-N 3.14Å; D712-I715 PolarHBondContact O-N 2.97Å; D712-E716 PolarHBondContact O-N 2.94Å; D712-E716 VanDerWaalsContact O-N 3.14Å |
| 713 | Q | 86.3 | Confident | 84.2 | Confident | 106 Ų | 106 | 60 Ų | 60 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 178.5 | -173 | 60.4 | 94.4 | 0 | 0 | 112.2 | K709 I711 E716 D717 | K709-Q713 WeakPolarHBondContact O-CB 3.4Å; K709-Q713 PolarHBondContact O-N 2.97Å; K709-Q713 VanDerWaalsContact O-N 3.11Å; I711-Q713 VanDerWaalsContact C-N 3.32Å; I711-Q713 PolarHBondContact O-N 3.22Å; Q713-E716 PolarHBondContact NE2-OE2 3.34Å; Q713-D717 PolarHBondContact O-N 2.91Å |
| 714 | F | 86.2 | Confident | 83.1 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.7 | -35 | 176.5 | -174.1 | -106.7 | 0 | 0 | 0 | 112.8 | V479 F498 I501 V502 F505 E710 I711 D712 E716 D717 L718 | V479-F714 HydrophobicContact CG1-CD1 4.09Å; V479-F714 HydrophobicContact CG1-CE1 3.96Å; F498-F714 HydrophobicContact CB-CZ 4.21Å; F498-F714 AromaticContact CD1-CE2 3.64Å; F498-F714 HydrophobicContact CD1-CE2 3.64Å; F498-F714 AromaticContact CD1-CZ 3.82Å; F498-F714 HydrophobicContact CD1-CZ 3.82Å; F498-F714 HydrophobicContact CE1-CE2 4.33Å; I501-F714 HydrophobicContact CB-CD2 4.44Å; I501-F714 HydrophobicContact CB-CE2 3.74Å; I501-F714 HydrophobicContact CB-CZ 4.02Å; I501-F714 HydrophobicContact CD1-CD2 4.46Å; I501-F714 HydrophobicContact CD1-CE2 3.84Å; I501-F714 HydrophobicContact CG1-CE2 4.4Å; I501-F714 HydrophobicContact CG2-CD2 3.67Å; I501-F714 HydrophobicContact CG2-CE2 3.45Å; I501-F714 VanDerWaalsContact CG2-CE2 3.45Å; I501-F714 HydrophobicContact CG2-CG 4.29Å; I501-F714 HydrophobicContact CG2-CZ 3.91Å; V502-F714 HydrophobicContact CG2-CE1 3.58Å; V502-F714 HydrophobicContact CG2-CZ 3.84Å; F505-F714 HydrophobicContact CD2-CD1 4.44Å; F505-F714 HydrophobicContact CE2-CB 3.8Å; F505-F714 AromaticContact CE2-CD1 3.96Å; F505-F714 HydrophobicContact CE2-CD1 3.96Å; F505-F714 HydrophobicContact CE2-CD2 4.38Å; F505-F714 AromaticContact CE2-CG 3.81Å; F505-F714 HydrophobicContact CE2-CG 3.81Å; F505-F714 HydrophobicContact CZ-CB 4.36Å; E710-F714 WeakPolarHBondContact O-CB 3.47Å; E710-F714 PolarHBondContact O-N 3.18Å; I711-F714 WeakPolarHBondContact O-CB 3.33Å; I711-F714 PolarHBondContact O-N 3.29Å; D712-F714 VanDerWaalsContact C-N 3.26Å; D712-F714 PolarHBondContact O-N 3.14Å; F714-E716 VanDerWaalsContact C-N 3.31Å; F714-E716 PolarHBondContact O-N 2.95Å; F714-D717 PolarHBondContact O-N 2.95Å; F714-L718 HydrophobicContact CD1-CD1 3.84Å; F714-L718 HydrophobicContact CD1-CG 4.17Å; F714-L718 HydrophobicContact CE1-CD1 3.57Å; F714-L718 HydrophobicContact CE1-CD2 4.29Å; F714-L718 HydrophobicContact CE1-CG 3.92Å; F714-L718 HydrophobicContact CZ-CD1 4.32Å; F714-L718 HydrophobicContact CZ-CD2 4.24Å; F714-L718 HydrophobicContact CZ-CG 4.25Å; F714-L718 WeakPolarHBondContact O-CG 3.46Å; F714-L718 PolarHBondContact O-N 3.5Å |
| 715 | I | 84.4 | Confident | 81.6 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 172.1 | -67.2 | 167 | 0 | 0 | 0 | 110.4 | V479 I711 D712 L718 N719 | V479-I715 HydrophobicContact CG2-CD1 3.85Å; V479-I715 HydrophobicContact CG2-CG1 3.52Å; I711-I715 HydrophobicContact CG2-CD1 3.86Å; I711-I715 HydrophobicContact CG2-CG1 4.44Å; I711-I715 WeakPolarHBondContact O-CG1 3.26Å; I711-I715 PolarHBondContact O-N 2.85Å; D712-I715 PolarHBondContact O-N 2.97Å; I715-L718 PolarHBondContact O-N 3.16Å; I715-N719 WeakPolarHBondContact CG2-ND2 3.2Å; I715-N719 WeakPolarHBondContact O-CB 3.31Å; I715-N719 PolarHBondContact O-N 3.34Å; I715-N719 PolarHBondContact O-ND2 3.4Å |
| 716 | E | 84.6 | Confident | 80.1 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.9 | -47.7 | 174.4 | -169.1 | -177.7 | -161.3 | 0 | 0 | 111.7 | D712 Q713 F714 L718 N719 K720 | D712-E716 PolarHBondContact O-N 2.94Å; D712-E716 VanDerWaalsContact O-N 3.14Å; Q713-E716 PolarHBondContact NE2-OE2 3.34Å; F714-E716 VanDerWaalsContact C-N 3.31Å; F714-E716 PolarHBondContact O-N 2.95Å; E716-L718 PolarHBondContact O-N 3.09Å; E716-N719 PolarHBondContact O-N 2.74Å; E716-K720 VanDerWaalsContact O-CB 3.28Å; E716-K720 WeakPolarHBondContact O-CB 3.48Å; E716-K720 PolarHBondContact O-N 3Å |
| 717 | D | 81.4 | Confident | 78.5 | Confident | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 178.2 | -95.2 | -18.2 | 0 | 0 | 0 | 113.1 | Q713 F714 K720 Q721 | Q713-D717 PolarHBondContact O-N 2.91Å; F714-D717 PolarHBondContact O-N 2.95Å; D717-K720 IonicContact OD1-NZ 3.97Å; D717-Q721 WeakPolarHBondContact O-CB 3.4Å; D717-Q721 WeakPolarHBondContact O-CG 3.1Å; D717-Q721 PolarHBondContact O-N 2.8Å |
| 718 | L | 79.5 | Confident | 76.8 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 172.5 | -77 | 178.9 | 0 | 0 | 0 | 111.9 | F482 L486 F498 F714 I715 E716 K720 Q721 L722 | F482-L718 HydrophobicContact CB-CD1 4.24Å; L486-L718 HydrophobicContact CD2-CD2 3.76Å; F498-L718 HydrophobicContact CD1-CD2 3.77Å; F498-L718 HydrophobicContact CE1-CD2 4.29Å; F498-L718 HydrophobicContact CG-CD2 4.36Å; F714-L718 HydrophobicContact CD1-CD1 3.84Å; F714-L718 HydrophobicContact CD1-CG 4.17Å; F714-L718 HydrophobicContact CE1-CD1 3.57Å; F714-L718 HydrophobicContact CE1-CD2 4.29Å; F714-L718 HydrophobicContact CE1-CG 3.92Å; F714-L718 HydrophobicContact CZ-CD1 4.32Å; F714-L718 HydrophobicContact CZ-CD2 4.24Å; F714-L718 HydrophobicContact CZ-CG 4.25Å; F714-L718 WeakPolarHBondContact O-CG 3.46Å; F714-L718 PolarHBondContact O-N 3.5Å; I715-L718 PolarHBondContact O-N 3.16Å; E716-L718 PolarHBondContact O-N 3.09Å; L718-K720 VanDerWaalsContact C-N 3.32Å; L718-K720 PolarHBondContact O-N 3.34Å; L718-Q721 WeakPolarHBondContact O-CB 3.31Å; L718-Q721 PolarHBondContact O-N 3.34Å; L718-L722 PolarHBondContact O-N 3.27Å |
| 719 | N | 80.5 | Confident | 74.9 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.4 | -84.2 | -73.6 | 0 | 0 | 0 | 111.9 | I715 E716 Q721 L722 S723 | I715-N719 WeakPolarHBondContact CG2-ND2 3.2Å; I715-N719 WeakPolarHBondContact O-CB 3.31Å; I715-N719 PolarHBondContact O-N 3.34Å; I715-N719 PolarHBondContact O-ND2 3.4Å; E716-N719 PolarHBondContact O-N 2.74Å; N719-Q721 VanDerWaalsContact C-N 3.35Å; N719-L722 PolarHBondContact O-N 2.63Å; N719-S723 PolarHBondContact O-N 2.89Å; N719-S723 PolarHBondContact O-OG 3.39Å |
| 720 | K | 80.5 | Confident | 72.9 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 174.1 | -172.4 | 177.7 | -179.6 | -177.7 | 0 | 112.8 | E716 D717 L718 S723 L724 | E716-K720 VanDerWaalsContact O-CB 3.28Å; E716-K720 WeakPolarHBondContact O-CB 3.48Å; E716-K720 PolarHBondContact O-N 3Å; D717-K720 IonicContact OD1-NZ 3.97Å; L718-K720 VanDerWaalsContact C-N 3.32Å; L718-K720 PolarHBondContact O-N 3.34Å; K720-S723 PolarHBondContact O-OG 2.75Å; K720-L724 WeakPolarHBondContact O-CD1 3.37Å; K720-L724 VanDerWaalsContact O-CG 3.3Å; K720-L724 WeakPolarHBondContact O-CG 3.36Å |
| 721 | Q | 70 | Confident | 70.6 | Confident | 67 Ų | 67 | 79 Ų | 79 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 169.1 | -82.3 | -76 | -12.4 | 0 | 0 | 112.4 | L486 K490 F498 D717 L718 N719 S725 | L486-Q721 HydrophobicContact CD1-CB 4.2Å; K490-Q721 WeakPolarHBondContact CE-O 3.39Å; K490-Q721 PolarHBondContact NZ-O 3Å; F498-Q721 HydrophobicContact CE1-CG 4.31Å; F498-Q721 HydrophobicContact CE2-CG 4.33Å; F498-Q721 HydrophobicContact CZ-CG 3.7Å; D717-Q721 WeakPolarHBondContact O-CB 3.4Å; D717-Q721 WeakPolarHBondContact O-CG 3.1Å; D717-Q721 PolarHBondContact O-N 2.8Å; L718-Q721 WeakPolarHBondContact O-CB 3.31Å; L718-Q721 PolarHBondContact O-N 3.34Å; N719-Q721 VanDerWaalsContact C-N 3.35Å; Q721-S725 PolarHBondContact O-OG 2.94Å; Q721-S725 VanDerWaalsContact O-OG 3.13Å |
| 722 | L | 69.5 | Low | 68.2 | Low | 29 Ų | 29 | 85.4 Ų | 85.4 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.7 | -44.8 | -176.1 | -162.9 | 76.3 | 0 | 0 | 0 | 112 | M485 L486 L718 N719 L724 S725 M726 | M485-L722 HydrophobicContact CE-CD2 4.08Å; M485-L722 HydrophobicContact CG-CD1 4.44Å; L486-L722 HydrophobicContact CD1-CD1 4.01Å; L718-L722 PolarHBondContact O-N 3.27Å; N719-L722 PolarHBondContact O-N 2.63Å; L722-L724 PolarHBondContact O-N 3.29Å; L722-S725 WeakPolarHBondContact O-CB 3.26Å; L722-S725 PolarHBondContact O-N 3.14Å; L722-S725 VanDerWaalsContact O-N 3.11Å; L722-S725 PolarHBondContact O-OG 2.59Å; L722-M726 PolarHBondContact O-N 3.05Å |
| 723 | S | 68.8 | Low | 65.9 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 47% | 0.469 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | N719 K720 S725 M726 D727 | N719-S723 PolarHBondContact O-N 2.89Å; N719-S723 PolarHBondContact O-OG 3.39Å; K720-S723 PolarHBondContact O-OG 2.75Å; S723-S725 PolarHBondContact O-N 2.72Å; S723-S725 VanDerWaalsContact O-N 3.17Å; S723-M726 PolarHBondContact O-N 3.39Å; S723-D727 PolarHBondContact O-N 2.93Å |
| 724 | L | 68.3 | Low | 63.5 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58 | -27.9 | 175.1 | -72.8 | 171.8 | 0 | 0 | 0 | 113.5 | K720 L722 | K720-L724 WeakPolarHBondContact O-CD1 3.37Å; K720-L724 VanDerWaalsContact O-CG 3.3Å; K720-L724 WeakPolarHBondContact O-CG 3.36Å; L722-L724 PolarHBondContact O-N 3.29Å |
| 725 | S | 59 | Low | 61.1 | Low | 9 Ų | 9 | 94.5 Ų | 94.5 | 6% | 0.063 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -75.4 | -31.8 | 174 | 6.9 | 0 | 0 | 0 | 0 | 113.7 | K490 Q721 L722 S723 E728 | K490-S725 WeakPolarHBondContact CE-OG 3.32Å; Q721-S725 PolarHBondContact O-OG 2.94Å; Q721-S725 VanDerWaalsContact O-OG 3.13Å; L722-S725 WeakPolarHBondContact O-CB 3.26Å; L722-S725 PolarHBondContact O-N 3.14Å; L722-S725 VanDerWaalsContact O-N 3.11Å; L722-S725 PolarHBondContact O-OG 2.59Å; S723-S725 PolarHBondContact O-N 2.72Å; S723-S725 VanDerWaalsContact O-N 3.17Å; S725-E728 PolarHBondContact O-N 3.26Å |
| 726 | M | 59.3 | Low | 58.5 | Low | 114 Ų | 114 | 99.6 Ų | 99.6 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75 | -31.8 | -176.4 | -69.7 | -64.8 | 166.6 | 0 | 0 | 111.8 | T489 L722 S723 E728 | T489-M726 HydrophobicContact CG2-CE 4.41Å; L722-M726 PolarHBondContact O-N 3.05Å; S723-M726 PolarHBondContact O-N 3.39Å; M726-E728 VanDerWaalsContact C-N 3.33Å; M726-E728 PolarHBondContact O-N 3.43Å |
| 727 | D | 56.5 | Low | 56 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.2 | -25.4 | 172.4 | -88.4 | -29.4 | 0 | 0 | 0 | 113.6 | S723 S730 | S723-D727 PolarHBondContact O-N 2.93Å; D727-S730 PolarHBondContact O-OG 2.8Å |
| 728 | E | 54.5 | Low | 53.7 | Low | 156 Ų | 156 | 103.9 Ų | 103.9 | 73% | 0.729 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.6 | -24.1 | 179.9 | -75.1 | -166.1 | 134.5 | 0 | 0 | 113.8 | S725 M726 S730 | S725-E728 PolarHBondContact O-N 3.26Å; M726-E728 VanDerWaalsContact C-N 3.33Å; M726-E728 PolarHBondContact O-N 3.43Å; E728-S730 VanDerWaalsContact C-N 3.27Å; E728-S730 PolarHBondContact O-N 3.3Å |
| 729 | L | 50 | Low | 51.5 | Low | 153 Ų | 153 | 106.6 Ų | 106.6 | 80% | 0.801 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -3 | 179.2 | -95.4 | 73.8 | 0 | 0 | 0 | 114.5 | ||
| 730 | S | 46.4 | Very low | 49.3 | Very low | 82 Ų | 82 | 109.7 Ų | 109.7 | 57% | 0.573 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 4.7 | -165.9 | 68.4 | 0 | 0 | 0 | 0 | 116.3 | D727 E728 | D727-S730 PolarHBondContact O-OG 2.8Å; E728-S730 VanDerWaalsContact C-N 3.27Å; E728-S730 PolarHBondContact O-N 3.3Å |
| 731 | K | 42.2 | Very low | 47 | Very low | 157 Ų | 157 | 109.8 Ų | 109.8 | 68% | 0.683 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -121.3 | 134.4 | -168.3 | -70.5 | 164.8 | -174.1 | 154.1 | 0 | 113.5 | ||
| 732 | P | 37.3 | Very low | 45.3 | Very low | 133 Ų | 133 | 111.8 Ų | 111.8 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | trans | -76.9 | 150.9 | -178.5 | 31.5 | -35.4 | 0 | 0 | 0 | 113.4 | ||||
| 733 | V | 38.4 | Very low | 43.5 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -86.6 | 140.4 | -172.1 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 734 | S | 36.9 | Very low | 41.6 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | trans | -160.6 | 115.8 | 158.9 | -79.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 735 | N | 35.6 | Very low | 40 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | trans | 65.3 | 147.4 | 146.1 | -61.1 | -10.5 | 0 | 0 | 0 | 121.4 | ||||
| 736 | L | 29.9 | Very low | 38.6 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | cis | -173.9 | 154 | -31.6 | -124.8 | 172.6 | 0 | 0 | 0 | 111.6 | ||||
| 737 | T | 32.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | trans | 83.9 | 132.8 | 150.5 | 11.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 738 | I | 32.6 | Very low | 36.2 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | 65.6 | 130.6 | 156 | -45.8 | 175.9 | 0 | 0 | 0 | 118.5 | ||||
| 739 | G | 32.5 | Very low | 35.1 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | cis | 170.6 | 178.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 740 | T | 35.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 63 | 100.3 | 163.1 | 50.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 741 | T | 32.5 | Very low | 33.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | 26.8 | 152 | 118 | 56.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 742 | P | 34.1 | Very low | 33.5 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -150.3 | 164 | 30.8 | 43.3 | -22.9 | 0 | 0 | 0 | 121.3 | ||||
| 743 | Q | 32 | Very low | 33.9 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | 67.3 | 149.7 | 137.5 | -76.3 | -177.3 | -25.5 | 0 | 0 | 127.6 | ||||
| 744 | L | 28.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -82.4 | -177.1 | 172.5 | -103.2 | 75.8 | 0 | 0 | 0 | 112.1 | ||||
| 745 | P | 34.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -150.3 | -172.5 | 31.3 | 44.7 | -22.2 | 0 | 0 | 0 | 120.3 | ||||
| 746 | T | 29.4 | Very low | 34.1 | Very low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -44 | 167.6 | 167.9 | 58.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 747 | A | 30.8 | Very low | 35.3 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | cis | -173.5 | 177.6 | 40.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 748 | S | 34.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 59.6 | 108.9 | 146.7 | 59.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 749 | T | 31.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | 25.3 | 158.2 | 116.8 | 57.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 750 | P | 39.8 | Very low | 36.9 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -143.6 | 179.1 | -33 | 41 | -22.5 | 0 | 0 | 0 | 116 | ||||
| 751 | S | 31.7 | Very low | 37.4 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 65.2 | 132.3 | 153.1 | 59.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 752 | F | 33.7 | Very low | 37.5 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -15.3 | 164.3 | 140.9 | -59.7 | -80.1 | 0 | 0 | 0 | 118.4 | ||||
| 753 | P | 45.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -149.1 | -170.2 | 28.6 | 30.9 | -4 | 0 | 0 | 0 | 118.5 | ||||
| 754 | T | 31.3 | Very low | 38 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | 113.4 | 129.2 | 143.2 | 71 | 0 | 0 | 0 | 0 | 119.7 | G756 | T754-G756 PolarHBondContact O-N 2.87Š| ||
| 755 | L | 36.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | 29.9 | -33.6 | 148.2 | -160.6 | 58.7 | 0 | 0 | 0 | 122.5 | D757 Y758 M759 | L755-D757 VanDerWaalsContact C-N 3.33Å; L755-D757 PolarHBondContact O-N 2.96Å; L755-Y758 PolarHBondContact O-N 3.1Å; L755-M759 PolarHBondContact O-N 2.76Å |
| 756 | G | 47.6 | Very low | 38.3 | Very low | 46 Ų | 46 | 133.4 Ų | 133.4 | 47% | 0.474 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -62.1 | -38 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T754 Y758 M759 | T754-G756 PolarHBondContact O-N 2.87Å; G756-Y758 PolarHBondContact O-N 3.1Å; G756-M759 PolarHBondContact O-N 3.43Å |
| 757 | D | 54.8 | Low | 38.4 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -70.7 | -20.9 | 179.1 | -61.6 | -35.3 | 0 | 0 | 0 | 112.9 | L755 | L755-D757 VanDerWaalsContact C-N 3.33Å; L755-D757 PolarHBondContact O-N 2.96Å |
| 758 | Y | 40.7 | Very low | 38.8 | Very low | 211 Ų | 211 | 135.2 Ų | 135.2 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -91.3 | -5.1 | 177.8 | -148.1 | -96.7 | 0 | 0 | 0 | 113.6 | L755 G756 | L755-Y758 PolarHBondContact O-N 3.1Å; G756-Y758 PolarHBondContact O-N 3.1Å |
| 759 | M | 44.3 | Very low | 38.8 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -113.5 | 18.1 | 178.5 | -64.6 | -141.1 | -63.1 | 0 | 0 | 114 | L755 G756 | L755-M759 PolarHBondContact O-N 2.76Å; G756-M759 PolarHBondContact O-N 3.43Å |
| 760 | K | 46.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -113.5 | 0.7 | 179.1 | -96.7 | 179.8 | 175.8 | 175.1 | 0 | 115.8 | ||
| 761 | A | 46.2 | Very low | 38.8 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -117.4 | 110.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 762 | M | 34.5 | Very low | 38.9 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 89% | 0.892 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 68.5 | 130.1 | -170.6 | -44.7 | -163.8 | -173.9 | 0 | 0 | 113.5 | ||
| 763 | R | 35.2 | Very low | 38.7 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | cis | -132 | 172 | 24.9 | -89.8 | -166.5 | 169 | -170.8 | -2 | 114.7 | ||||
| 764 | P | 41.8 | Very low | 38 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -124.9 | -172.5 | -152.1 | 45.2 | -33.6 | 0 | 0 | 0 | 116 | ||||
| 765 | T | 34.2 | Very low | 38 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -138.3 | 109.6 | 169.7 | 11.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 766 | T | 35.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | 59.7 | 113.1 | 129.6 | 55.7 | 0 | 0 | 0 | 0 | 125 | |||||
| 767 | V | 30.7 | Very low | 37.2 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 18.7 | 164.8 | 120.2 | -87.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 768 | P | 39 | Very low | 36.1 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | cis | -132.7 | -178.5 | 22.2 | 31.6 | -5.9 | 0 | 0 | 0 | 115 | ||||
| 769 | T | 35 | Very low | 35.7 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | -159.8 | 175.1 | 50.6 | 38.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 770 | H | 27.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -139.2 | -165.7 | -169.8 | -114 | -43.4 | 0 | 0 | 0 | 109.3 | ||||
| 771 | P | 43 | Very low | 34.6 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | -108.5 | -129.3 | 5.4 | 26.1 | -1.3 | 0 | 0 | 0 | 110.7 | ||||
| 772 | N | 34.3 | Very low | 33.9 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 156.9 | -5.5 | -139.5 | -3.7 | 0 | 0 | 0 | 107 | ||||
| 773 | M | 29.7 | Very low | 34 | Very low | 145 Ų | 145 | 135 Ų | 135 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | cis | -138.1 | -170.5 | 6.4 | -49.6 | 168.2 | 60.3 | 0 | 0 | 108.3 | ||||
| 774 | Y | 31.2 | Very low | 33.9 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | cis | -146.5 | -88.3 | -0.6 | -166.8 | -142.1 | 0 | 0 | 0 | 114.1 | ||||
| 775 | M | 30.6 | Very low | 33.5 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | trans | -129.7 | 151.8 | -173.9 | -60.2 | -69.3 | -179 | 0 | 0 | 109.8 | ||||
| 776 | G | 29.2 | Very low | 33.4 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | cis | -156.6 | 174 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 777 | P | 38 | Very low | 33.4 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -135.3 | 149.8 | -132.3 | 38.6 | -22.6 | 0 | 0 | 0 | 120.2 | ||||
| 778 | M | 30.8 | Very low | 33.5 | Very low | 192 Ų | 192 | 129 Ų | 129 | 95% | 0.946 | 71% | 0.709 | S | S | * | * | trans | 66.6 | 158.7 | 140.5 | -62 | -79.6 | -84.7 | 0 | 0 | 119.7 | ||||
| 779 | G | 32.3 | Very low | 33.3 | Very low | 54 Ų | 54 | 131.7 Ų | 131.7 | 56% | 0.557 | 71% | 0.712 | S | S | * | * | cis | 168.9 | 138.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 780 | W | 27.7 | Very low | 33.5 | Very low | 248 Ų | 248 | 129.6 Ų | 129.6 | 94% | 0.939 | 70% | 0.7 | S | S | * | * | cis | 102.8 | 147.1 | 42.5 | -85.6 | 72.5 | 0 | 0 | 0 | 114.4 | ||||
| 781 | P | 39.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | -141.5 | -142.4 | -127.8 | 32.6 | -6.6 | 0 | 0 | 0 | 118 | |||||
| 782 | V | 31.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | 92 | 176.5 | 155.6 | -112.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 783 | P | 36.4 | Very low | 33 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 48% | 0.481 | 71% | 0.71 | S | S | . | * | -142.8 | 178.9 | -110.2 | 47.6 | -26.3 | 0 | 0 | 0 | 123 | T1327 | P783-T1327 VanDerWaalsContact CA-OG1 3.26Å; P783-T1327 WeakPolarHBondContact CA-OG1 3.35Å; P783-T1327 HydrophobicContact CB-CG2 4.25Å; P783-T1327 WeakPolarHBondContact CB-OG1 3.25Å | |||
| 784 | T | 33.1 | Very low | 33 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 43% | 0.429 | 71% | 0.706 | S | S | . | * | trans | 82.6 | 135.9 | 142 | 40 | 0 | 0 | 0 | 0 | 127.3 | N1326 T1327 | T784-N1326 VanDerWaalsContact C-ND2 3.33Å; T784-N1326 PolarHBondContact N-OD1 3.22Å; T784-N1326 VanDerWaalsContact N-OD1 3.1Å; T784-N1326 PolarHBondContact O-ND2 3.13Å; T784-T1327 PolarHBondContact N-OG1 3.33Å | ||
| 785 | L | 32.9 | Very low | 33.1 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | trans | 63.2 | 117.4 | 138.2 | -70 | 161.4 | 0 | 0 | 0 | 126.8 | N1326 N1328 | L785-N1326 PolarHBondContact N-ND2 3.46Å; L785-N1328 WeakPolarHBondContact CD2-ND2 3.36Å; L785-N1328 WeakPolarHBondContact CD2-OD1 3.34Å; L785-N1328 VanDerWaalsContact CG-OD1 3.29Å; L785-N1328 WeakPolarHBondContact CG-OD1 3.27Å | ||
| 786 | T | 32.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | 17.5 | 149.1 | 133.8 | 54.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 787 | S | 35.7 | Very low | 34.5 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | cis | -151 | -167.8 | 13.6 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 788 | R | 32.4 | Very low | 34.2 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | trans | -97.1 | -179.6 | -168.6 | -54.4 | 175 | 166.1 | 170.5 | -4.6 | 113.7 | ||||
| 789 | Q | 34.7 | Very low | 34.3 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | cis | -154.3 | -157.5 | 10.3 | -142.6 | -170.6 | -12.6 | 0 | 0 | 112.3 | ||||
| 790 | P | 39.7 | Very low | 34.9 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 58% | 0.584 | 71% | 0.709 | S | S | * | * | -136.7 | 173 | -120.9 | 48.8 | -30.3 | 0 | 0 | 0 | 122.2 | |||||
| 791 | N | 30.6 | Very low | 35.1 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | 63.8 | 125.7 | 140.9 | -70.7 | -0.4 | 0 | 0 | 0 | 126 | ||||
| 792 | Q | 33.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | 170.2 | 128.8 | 113.8 | -88.6 | 174.5 | 48.8 | 0 | 0 | 109.5 | |||||
| 793 | Q | 30.8 | Very low | 34.7 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | 63.7 | 152.5 | 80 | -72.4 | -167.5 | -15.6 | 0 | 0 | 114.8 | |||||
| 794 | L | 30.4 | Very low | 34.4 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 63% | 0.628 | 72% | 0.721 | S | S | * | * | cis | -169.7 | 176.3 | 39.6 | -140.5 | 147.4 | 0 | 0 | 0 | 111.6 | L796 | L794-L796 HydrophobicContact CD2-CD1 3.71Š| ||
| 795 | N | 32.9 | Very low | 34.2 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 152.5 | 147 | 139.1 | -80.2 | -7.2 | 0 | 0 | 0 | 113.6 | ||||
| 796 | L | 38 | Very low | 34.5 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | cis | -177 | -168 | -22.3 | -135.5 | 64.5 | 0 | 0 | 0 | 106.6 | L794 | L794-L796 HydrophobicContact CD2-CD1 3.71Š| ||
| 797 | P | 51 | Low | 34.4 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -132.8 | 166 | -31.9 | 38.9 | -23.1 | 0 | 0 | 0 | 116.1 | ||||
| 798 | T | 30.5 | Very low | 34.1 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | -147.7 | 158 | 122 | 29.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 799 | N | 34.5 | Very low | 34 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -166.6 | 179 | -155.8 | -149.3 | 16.9 | 0 | 0 | 0 | 109.4 | ||||
| 800 | P | 44.5 | Very low | 33.8 | Very low | 103 Ų | 103 | 126 Ų | 126 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | cis | -115.3 | -172.8 | -24 | 26.3 | -2.4 | 0 | 0 | 0 | 111.6 | ||||
| 801 | A | 32.1 | Very low | 33.2 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | 171.8 | 170.7 | 58.6 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 802 | T | 30.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -175.2 | 151.7 | -21.5 | 32.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 803 | V | 31.4 | Very low | 33 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 138.6 | 148.4 | 166 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 804 | S | 30.3 | Very low | 33.5 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -164.8 | 171.2 | -18.1 | -88.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 805 | S | 28.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -94.6 | -166 | -178.9 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 806 | P | 39.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | cis | -146.2 | -175.3 | 2.4 | 44.9 | -25 | 0 | 0 | 0 | 119.3 | ||||
| 807 | F | 31.2 | Very low | 33.1 | Very low | 194 Ų | 194 | 114.3 Ų | 114.3 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | trans | 58.5 | 120 | 160.4 | -67.5 | -66.5 | 0 | 0 | 0 | 120.7 | ||||
| 808 | A | 29 | Very low | 32 | Very low | 84 Ų | 84 | 113.6 Ų | 113.6 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | 79.9 | 139.7 | 79.2 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 809 | T | 29.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 111 Ų | 111 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | cis | -160.2 | 170.6 | 17.6 | -18.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 810 | T | 30.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 106.4 Ų | 106.4 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | trans | 67.1 | 116.6 | 154.5 | 46.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 811 | S | 28.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | trans | 24.1 | 151.6 | 133.1 | 61 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 812 | I | 29.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 106.5 Ų | 106.5 | 83% | 0.831 | 65% | 0.645 | S | S | * | * | cis | -154.5 | 172.2 | 44.3 | -59.9 | 165.8 | 0 | 0 | 0 | 110.7 | ||||
| 813 | S | 31.1 | Very low | 30.9 | Very low | 108 Ų | 108 | 106 Ų | 106 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -122.1 | -161.5 | -180 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 814 | P | 40.8 | Very low | 30.9 | Very low | 90 Ų | 90 | 105.4 Ų | 105.4 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | cis | -138.9 | -141.9 | 0.4 | 39.1 | -13.6 | 0 | 0 | 0 | 114.2 | ||||
| 815 | N | 30.6 | Very low | 30.9 | Very low | 76 Ų | 76 | 105.3 Ų | 105.3 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | trans | 78.4 | 156.6 | 163.4 | -72.5 | 11.7 | 0 | 0 | 0 | 119 | D1534 | N815-D1534 WeakPolarHBondContact CA-OD2 3.4Å; N815-D1534 PolarHBondContact N-OD1 3.12Å | ||
| 816 | H | 31.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 106.2 Ų | 106.2 | 46% | 0.458 | 64% | 0.64 | S | S | . | * | cis | -159.8 | 139.4 | -13 | -110.1 | -1.9 | 0 | 0 | 0 | 115.5 | D1534 | H816-D1534 WeakPolarHBondContact CA-OD2 3.36Å; H816-D1534 PolarHBondContact CE1-O 3.1Å; H816-D1534 IonicContact CE1-OD2 3.11Å; H816-D1534 IonicContact CG-OD2 2.82Å; H816-D1534 PolarHBondContact ND1-O 3.44Å; H816-D1534 IonicContact ND1-OD2 3.83Å; H816-D1534 PolarHBondContact ND1-OD2 3.1Å | ||
| 817 | S | 30.3 | Very low | 31 | Very low | 84 Ų | 84 | 106.7 Ų | 106.7 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | trans | 60.7 | 167 | 151.2 | 61.4 | 0 | 0 | 0 | 0 | 122.6 | M1532 N1533 | S817-M1532 CarbonylContact C-O 3.49Å; S817-M1532 VanDerWaalsContact CA-O 3.3Å; S817-M1532 WeakPolarHBondContact CA-O 3.39Å; S817-N1533 VanDerWaalsContact CA-O 3.29Å; S817-N1533 WeakPolarHBondContact CA-O 3.15Å; S817-N1533 PolarHBondContact N-O 2.89Å | ||
| 818 | V | 27.7 | Very low | 31.6 | Very low | 83 Ų | 83 | 103.2 Ų | 103.2 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | -129 | 171.9 | -80.9 | -161.4 | 0 | 0 | 0 | 0 | 108.9 | M1532 N1533 | V818-M1532 WeakPolarHBondContact CA-O 3.48Å; V818-M1532 PolarHBondContact N-O 3.06Å; V818-N1533 WeakPolarHBondContact CG2-O 3.41Å | |||
| 819 | V | 28.6 | Very low | 31.9 | Very low | 95 Ų | 95 | 106.4 Ų | 106.4 | 58% | 0.576 | 65% | 0.648 | S | S | * | * | trans | 93.4 | 123.7 | 152.9 | -62.6 | 0 | 0 | 0 | 0 | 119.5 | I1530 Q1531 | V819-I1530 HydrophobicContact CB-CB 4.09Å; V819-I1530 HydrophobicContact CB-CG1 4.09Å; V819-I1530 HydrophobicContact CB-CG2 3.54Å; V819-I1530 HydrophobicContact CG1-CB 4.15Å; V819-I1530 HydrophobicContact CG1-CG2 3.2Å; V819-Q1531 CarbonylContact C-O 3.35Å; V819-Q1531 WeakPolarHBondContact CA-O 3.29Å; V819-Q1531 PolarHBondContact N-O 2.87Å | ||
| 820 | N | 26.3 | Very low | 31.9 | Very low | 50 Ų | 50 | 106.8 Ų | 106.8 | 27% | 0.267 | 65% | 0.649 | S | S | . | * | trans | -109.8 | -161.1 | -160.5 | 75.3 | -130.3 | 0 | 0 | 0 | 117.9 | D1529 I1530 Q1531 | N820-D1529 VanDerWaalsContact ND2-C 3.33Å; N820-D1529 PolarHBondContact ND2-O 2.82Å; N820-I1530 VanDerWaalsContact CG-CA 3.41Å; N820-I1530 VanDerWaalsContact N-CG1 3.29Å; N820-I1530 WeakPolarHBondContact O-CG1 3.46Å; N820-I1530 VanDerWaalsContact OD1-CA 3.29Å; N820-I1530 WeakPolarHBondContact OD1-CA 3.36Å; N820-I1530 PolarHBondContact OD1-N 3.25Å; N820-Q1531 HydrophobicContact CB-CB 4.09Å; N820-Q1531 VanDerWaalsContact CG-N 3.3Å; N820-Q1531 VanDerWaalsContact N-N 3.15Å; N820-Q1531 WeakPolarHBondContact OD1-CB 3.43Å; N820-Q1531 PolarHBondContact OD1-N 2.86Å | ||
| 821 | S | 29.5 | Very low | 32.5 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | trans | -166.8 | 130.2 | 147.6 | -85.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 822 | F | 31 | Very low | 32.6 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 45% | 0.447 | 66% | 0.661 | S | S | . | * | trans | 62.6 | 102.1 | 137.9 | -79.8 | -95.1 | 0 | 0 | 0 | 124.8 | R1528 | F822-R1528 HydrophobicContact CE2-CG 4.03Å; F822-R1528 HydrophobicContact CZ-CG 3.78Å | ||
| 823 | V | 34 | Very low | 32.5 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | 18.3 | 130.7 | 103.6 | -171.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 824 | P | 32.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | -154.7 | 170.6 | 68.6 | 42.7 | -21.6 | 0 | 0 | 0 | 121.9 | |||||
| 825 | S | 29.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | trans | -46.2 | 160.6 | 164.9 | -155.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 826 | V | 28.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 79% | 0.788 | 69% | 0.69 | S | S | * | * | -165.5 | 148 | 65.3 | 163.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 827 | S | 42.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -90.8 | 148.3 | 166.3 | -41.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 828 | P | 43.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | -155.1 | -166.8 | 80.9 | 42 | -21 | 0 | 0 | 0 | 116.3 | |||||
| 829 | D | 34.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -74 | -169.9 | -169.8 | -60.6 | -90 | 0 | 0 | 0 | 118.9 | ||||
| 830 | V | 29.7 | Very low | 31.9 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | trans | 113.9 | 153.4 | 146.1 | -171.4 | 0 | 0 | 0 | 0 | 116 | Y832 | V830-Y832 PolarHBondContact O-N 2.88Š| ||
| 831 | Y | 43.1 | Very low | 32.1 | Very low | 218 Ų | 218 | 143.7 Ų | 143.7 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -17.2 | 102.8 | 176.3 | -88.7 | -126.2 | 0 | 0 | 0 | 117 | ||
| 832 | Y | 30.7 | Very low | 32.9 | Very low | 221 Ų | 221 | 144.2 Ų | 144.2 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | 30.1 | 102.9 | 141.6 | -75 | -85.9 | 0 | 0 | 0 | 120 | V830 | V830-Y832 PolarHBondContact O-N 2.88Š| ||
| 833 | K | 27.2 | Very low | 33 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | -163.7 | 106.5 | 118.3 | -112.5 | 172.3 | -177.4 | 177.7 | 0 | 115.9 | |||||
| 834 | Q | 27.2 | Very low | 32.7 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 34.2 | 133.1 | 140.4 | -72.7 | -170.2 | -6.5 | 0 | 0 | 123.7 | ||||
| 835 | K | 31.2 | Very low | 33.1 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 83.6 | 110.1 | 139.2 | -75 | 175.3 | 176.1 | -177.9 | 0 | 121.8 | ||||
| 836 | N | 27.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | 46.7 | 122.3 | 119.5 | -74.1 | 20.9 | 0 | 0 | 0 | 122.9 | |||||
| 837 | V | 30 | Very low | 33.4 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 91.4 | 111.9 | 132.9 | 175.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 838 | S | 29.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 156.1 Ų | 156.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 75.9 | 119.5 | 144.6 | -67.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 839 | Q | 31.9 | Very low | 33.2 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | 72.6 | 120.8 | 131.7 | -67.9 | -174.7 | -17.9 | 0 | 0 | 124.7 | ||||
| 840 | H | 30.1 | Very low | 33.6 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | trans | 83.9 | 116.7 | 132.2 | -81.8 | -1.2 | 0 | 0 | 0 | 124.9 | ||||
| 841 | F | 30.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 157 Ų | 157 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 77.6 | 161.2 | 134.9 | -83.7 | -50.4 | 0 | 0 | 0 | 121 | ||||
| 842 | P | 46.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | -132.3 | 173 | -127.6 | 44.7 | -28.9 | 0 | 0 | 0 | 116.8 | |||||
| 843 | Y | 31.8 | Very low | 33 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | -158.3 | 158.5 | 156.9 | -110.2 | -78.8 | 0 | 0 | 0 | 114.1 | ||||
| 844 | H | 28.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -113 | -172.7 | 174.3 | -100.5 | -97.2 | 0 | 0 | 0 | 109 | ||||
| 845 | P | 41.5 | Very low | 33.6 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | cis | -138.9 | -140.1 | -47.7 | 41.9 | -22.5 | 0 | 0 | 0 | 112.4 | ||||
| 846 | T | 30.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 144 Ų | 144 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 89.3 | 148.3 | 169.9 | 73.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 847 | A | 34.1 | Very low | 33.4 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -127.5 | -160.3 | 15.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 848 | Q | 32.3 | Very low | 33.2 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -120.9 | 160.6 | -147.6 | -61.6 | 168 | -74.3 | 0 | 0 | 116.9 | ||||
| 849 | P | 49.4 | Very low | 33.6 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -83.3 | -168.2 | 161.8 | 38.1 | -36.9 | 0 | 0 | 0 | 112 | ||||
| 850 | P | 42.7 | Very low | 33.4 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -161.9 | 167.9 | 103.4 | 41.8 | -22.1 | 0 | 0 | 0 | 121.1 | |||||
| 851 | F | 30.8 | Very low | 33.1 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | 57.7 | 107.8 | 145.5 | -73.6 | -55.2 | 0 | 0 | 0 | 124.7 | ||||
| 852 | R | 31.2 | Very low | 32.9 | Very low | 250 Ų | 250 | 149.5 Ų | 149.5 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | -174.3 | 161.6 | 97.9 | -102.1 | -170.1 | 178.7 | -159.3 | 0.5 | 112.1 | |||||
| 853 | G | 28.9 | Very low | 32 | Very low | 66 Ų | 66 | 149.4 Ų | 149.4 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -149.2 | -151.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 854 | P | 39.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | cis | -132.5 | -164.2 | -26.9 | 38.5 | -19.7 | 0 | 0 | 0 | 112.3 | ||||
| 855 | M | 27.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 119.6 | 133.5 | 154.7 | -65 | -59.3 | -125.4 | 0 | 0 | 119.5 | ||||
| 856 | T | 26.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | trans | 44.5 | 115 | 147.7 | 58.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 857 | Y | 28 | Very low | 31.8 | Very low | 224 Ų | 224 | 147.7 Ų | 147.7 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | 179.9 | 153 | 94.7 | -102.8 | -77.2 | 0 | 0 | 0 | 112.2 | |||||
| 858 | T | 24.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -108.3 | 177.6 | 165.5 | 46 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 859 | P | 38.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -121.3 | -178.4 | -39.3 | 37.8 | -24.8 | 0 | 0 | 0 | 110.9 | ||||
| 860 | M | 27.2 | Very low | 30.9 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -170.3 | 164.7 | 150.6 | -110 | -85.8 | 115.8 | 0 | 0 | 113.3 | ||||
| 861 | Y | 24.7 | Very low | 30.4 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 172.9 | -178.4 | -113.7 | -113.5 | 0 | 0 | 0 | 113 | ||||
| 862 | N | 25.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 82.6 | 114.5 | 150 | -99.7 | 3.3 | 0 | 0 | 0 | 123.2 | ||||
| 863 | S | 28.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 53.2 | 99.7 | 125.6 | 68.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 864 | Q | 27.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 153.1 | 154.3 | -76.2 | -162.9 | -12.1 | 0 | 0 | 108 | ||||
| 865 | Q | 29.3 | Very low | 30.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | cis | -159.8 | 152.6 | 7.7 | -127.8 | 164.4 | 14.8 | 0 | 0 | 111.2 | ||||
| 866 | F | 39.3 | Very low | 30.2 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 156 | 145 | -88.8 | -87.4 | 0 | 0 | 0 | 108.8 | ||||
| 867 | P | 31.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -143 | 150.4 | 126.9 | 36.4 | -23.9 | 0 | 0 | 0 | 114.8 | |||||
| 868 | T | 36.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -144.8 | 123.4 | 167.1 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 869 | T | 32.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | trans | -152.3 | 116.7 | 172.6 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 870 | G | 28.1 | Very low | 30.7 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 67.3 | 161.6 | 157 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 871 | V | 31.4 | Very low | 31 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | cis | -144.1 | 129.6 | -3.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 872 | N | 26.5 | Very low | 31.3 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | trans | 12.4 | 116.8 | 150 | -164 | 21.6 | 0 | 0 | 0 | 121.5 | Q874 | N872-Q874 WeakPolarHBondContact OD1-CB 3.47Å; N872-Q874 VanDerWaalsContact OD1-CG 3.29Å; N872-Q874 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 873 | I | 31.8 | Very low | 31.3 | Very low | 176 Ų | 176 | 116 Ų | 116 | 90% | 0.903 | 71% | 0.705 | S | S | * | * | trans | -127.3 | 144.8 | 132.8 | -65.3 | -175.5 | 0 | 0 | 0 | 107.4 | ||||
| 874 | Q | 29.3 | Very low | 31.4 | Very low | 150 Ų | 150 | 117 Ų | 117 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -126.5 | -174.3 | -155.5 | -128.8 | -163.1 | -20.8 | 0 | 0 | 113.3 | N872 | N872-Q874 WeakPolarHBondContact OD1-CB 3.47Å; N872-Q874 VanDerWaalsContact OD1-CG 3.29Å; N872-Q874 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 875 | P | 37.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | -133.2 | 178.7 | -115.3 | 44.9 | -27.6 | 0 | 0 | 0 | 116 | |||||
| 876 | A | 29.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -175.1 | 148.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 877 | A | 29.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | cis | -155.9 | 159.2 | -24.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 878 | V | 32.5 | Very low | 30.4 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | -116.1 | 154.9 | -174.1 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | M880 | V878-M880 HydrophobicContact CG1-CB 4.08Å; V878-M880 HydrophobicContact CG1-CG 3.35Å | ||
| 879 | P | 29.5 | Very low | 29.9 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 47% | 0.468 | 73% | 0.73 | S | S | . | * | -136.2 | 161.5 | 125.2 | 39.2 | -30.7 | 0 | 0 | 0 | 113.1 | K1169 | P879-K1169 CarbonylContact C-O 3.54Å; P879-K1169 VanDerWaalsContact C-O 3.29Å; P879-K1169 CarbonylContact O-C 3.51Å; P879-K1169 VanDerWaalsContact O-C 3.3Å; P879-K1169 VanDerWaalsContact O-CB 3.22Å; P879-K1169 WeakPolarHBondContact O-CB 3.36Å | |||
| 880 | M | 36.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 46% | 0.463 | 73% | 0.726 | S | S | . | * | trans | -159 | 108.8 | -163 | -84.4 | -62.4 | -128 | 0 | 0 | 111.5 | V878 K1169 I1171 | V878-M880 HydrophobicContact CG1-CB 4.08Å; V878-M880 HydrophobicContact CG1-CG 3.35Å; M880-K1169 WeakPolarHBondContact CA-O 3.35Å; M880-K1169 PolarHBondContact N-O 3.43Å; M880-I1171 HydrophobicContact CB-CB 3.65Å; M880-I1171 HydrophobicContact CB-CD1 3.9Å; M880-I1171 HydrophobicContact CB-CG1 3.67Å; M880-I1171 HydrophobicContact CE-CG1 3.79Å; M880-I1171 HydrophobicContact CG-CB 4.21Å; M880-I1171 HydrophobicContact CG-CD1 4.38Å; M880-I1171 HydrophobicContact CG-CG1 3.9Å; M880-I1171 VanDerWaalsContact SD-CA 3.56Å; M880-I1171 HydrophobicContact SD-CB 3.94Å; M880-I1171 HydrophobicContact SD-CG1 3.76Å; M880-I1171 PolarHBondContact SD-N 2.91Å; M880-I1171 VanDerWaalsContact SD-N 3.4Å | ||
| 881 | P | 33.2 | Very low | 29.7 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | trans | -142.2 | 168.4 | 146.1 | 37.2 | -22.5 | 0 | 0 | 0 | 112.2 | K1169 S1170 I1171 | P881-K1169 WeakPolarHBondContact CD-O 3.48Å; P881-S1170 CarbonylContact O-C 3.59Å; P881-S1170 WeakPolarHBondContact O-CA 3.39Å; P881-I1171 VanDerWaalsContact C-N 3.27Å; P881-I1171 CarbonylContact C-O 3.49Å; P881-I1171 VanDerWaalsContact C-O 3.27Å; P881-I1171 PolarHBondContact O-N 2.86Å | ||
| 882 | G | 30.9 | Very low | 29.5 | Very low | 56 Ų | 56 | 117.8 Ų | 117.8 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | cis | -172.7 | 163.1 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1171 | G882-I1171 PolarHBondContact N-O 2.81Š| ||
| 883 | S | 25.6 | Very low | 30.1 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 52% | 0.524 | 73% | 0.727 | S | S | . | * | trans | -130.2 | 140.8 | 167 | 171.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 884 | S | 29.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -158 | 127.4 | 176 | -79.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 885 | Y | 27.9 | Very low | 30.3 | Very low | 235 Ų | 235 | 116.3 Ų | 116.3 | 92% | 0.922 | 72% | 0.721 | S | S | * | * | trans | -72.1 | 149.2 | 160.3 | -100.3 | -112.1 | 0 | 0 | 0 | 111 | ||||
| 886 | A | 25.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -139.6 | 124.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 887 | A | 25.8 | Very low | 29.8 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -139.7 | 110.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 888 | G | 27.6 | Very low | 29.7 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -163.1 | 86.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 889 | F | 26.4 | Very low | 29.5 | Very low | 192 Ų | 192 | 116.6 Ų | 116.6 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | trans | 43.3 | 127.4 | 152.5 | -68.4 | -85.5 | 0 | 0 | 0 | 121.6 | ||||
| 890 | Q | 28.5 | Very low | 29.4 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | trans | 69.1 | 115.2 | 153.2 | -65.5 | 177.6 | 0.6 | 0 | 0 | 115.2 | ||||
| 891 | T | 26.9 | Very low | 29 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | cis | 55.8 | 125.6 | 45.2 | 85.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 892 | T | 28 | Very low | 29.5 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | cis | -159.1 | 166.9 | 48.9 | 34.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 893 | N | 39.2 | Very low | 30.1 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -60.1 | 169.2 | 158 | -53.5 | -31.6 | 0 | 0 | 0 | 111.4 | ||||
| 894 | P | 36 | Very low | 30.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | -124.6 | 136.7 | 123.5 | 1.8 | 19 | 0 | 0 | 0 | 111.2 | |||||
| 895 | M | 28.9 | Very low | 30.5 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | cis | 67.6 | 131.9 | 38.7 | -64.1 | -165.2 | 67.9 | 0 | 0 | 115.9 | ||||
| 896 | Q | 27.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 55% | 0.551 | 75% | 0.747 | S | S | * | * | -175.4 | 156.3 | 111.1 | -95.6 | 169.8 | 39 | 0 | 0 | 108.5 | |||||
| 897 | T | 29.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | cis | -128.3 | 154 | 10.4 | 36.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 898 | A | 27.9 | Very low | 30.4 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | cis | 90.3 | 147.6 | 37.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 899 | V | 28.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | cis | -165.1 | 151.9 | 10.2 | 85.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 900 | H | 27.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | 74.2 | 133.9 | 144.9 | -77.6 | -27.9 | 0 | 0 | 0 | 128.6 | ||||
| 901 | R | 28 | Very low | 31.4 | Very low | 215 Ų | 215 | 127.8 Ų | 127.8 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | 79.6 | 122.2 | 127.8 | -75.2 | 175 | -167.1 | -146.5 | 4.4 | 122.7 | |||||
| 902 | S | 43.7 | Very low | 31.5 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -94.3 | 172.5 | 131.3 | -52.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 903 | P | 42.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | cis | -124.8 | 158.3 | -9.4 | 39.6 | -26.4 | 0 | 0 | 0 | 114.2 | ||||
| 904 | T | 28.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -173.9 | 131.3 | 145.9 | -76.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 905 | V | 35.1 | Very low | 31 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -135.1 | 87.3 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 906 | A | 24.8 | Very low | 31.3 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | trans | -177.8 | 146.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 907 | Y | 26.1 | Very low | 31.4 | Very low | 229 Ų | 229 | 129.7 Ų | 129.7 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | cis | -164.2 | 160.9 | -17.7 | -129.9 | -80 | 0 | 0 | 0 | 108.6 | ||||
| 908 | G | 27.5 | Very low | 31.7 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | 98.9 | 113.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 909 | A | 37.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | 79.7 | 127.5 | 22.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 910 | P | 33.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | -114.2 | 131.9 | 126.3 | -2.7 | 22.9 | 0 | 0 | 0 | 110.1 | |||||
| 911 | Q | 31.4 | Very low | 32.5 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | 77.7 | 136.8 | 60.8 | -66.3 | -96.1 | -23.9 | 0 | 0 | 113.3 | |||||
| 912 | V | 30 | Very low | 32.8 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | cis | -167.5 | 140.9 | -25.8 | 110.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 913 | V | 30.1 | Very low | 32 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -145.7 | 133.6 | 142.2 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 914 | N | 31.7 | Very low | 31.3 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | -59.5 | 177.8 | 177.5 | -61.1 | -33.7 | 0 | 0 | 0 | 113.8 | ||||
| 915 | M | 31.1 | Very low | 31.6 | Very low | 168 Ų | 168 | 128 Ų | 128 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | cis | -168.5 | 160.8 | 31.6 | -153.8 | 173.7 | 168.7 | 0 | 0 | 114.7 | ||||
| 916 | V | 33.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | 66.4 | 121 | 167.4 | -158.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 917 | N | 29.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | cis | 80.2 | 155.3 | 43.7 | -116.5 | 29.4 | 0 | 0 | 0 | 114.6 | ||||
| 918 | P | 37.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | -144 | -174.6 | -113.1 | 43.1 | -22.1 | 0 | 0 | 0 | 118.5 | |||||
| 919 | L | 26.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | 75.4 | 126.3 | 153 | -101.4 | 74.9 | 0 | 0 | 0 | 122.9 | ||||
| 920 | V | 28.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | 84 | 133.2 | 144.7 | 179.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 921 | P | 44.2 | Very low | 32.7 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | trans | -108.2 | -179.5 | -176.7 | 44.7 | -38.4 | 0 | 0 | 0 | 114.6 | ||||
| 922 | P | 34.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | -158.2 | 173.3 | 94.6 | 42.1 | -22.8 | 0 | 0 | 0 | 118.4 | |||||
| 923 | C | 26.4 | Very low | 32.9 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 53% | 0.534 | 72% | 0.721 | S | S | . | * | trans | 35 | 149.4 | 143.4 | -72.8 | 0 | 0 | 0 | 0 | 123.6 | N1007 | C923-N1007 PolarHBondContact SG-ND2 2.86Š| ||
| 924 | Q | 28.7 | Very low | 33 | Very low | 115 Ų | 115 | 130 Ų | 130 | 54% | 0.537 | 71% | 0.713 | S | S | . | * | cis | -173.3 | 169.7 | -1.3 | -123.6 | -179.3 | 25.5 | 0 | 0 | 112.3 | ||||
| 925 | R | 35.2 | Very low | 33 | Very low | 213 Ų | 213 | 130.7 Ų | 130.7 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | 71.1 | 171.3 | 154.1 | -74.2 | 174.9 | -149.1 | -129.3 | -1.5 | 118.5 | ||||
| 926 | P | 38 | Very low | 33.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | cis | -125.3 | -158.9 | 6.5 | 44.4 | -26.4 | 0 | 0 | 0 | 113.9 | ||||
| 927 | N | 33.6 | Very low | 33.8 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | cis | -156.5 | -167.6 | 4 | -145 | 9.1 | 0 | 0 | 0 | 115.9 | ||||
| 928 | T | 30.8 | Very low | 34.9 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 54% | 0.54 | 71% | 0.71 | S | S | . | * | trans | -74.7 | -179.5 | 177.7 | 54.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 929 | F | 32.4 | Very low | 35 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | cis | -168.9 | 155.2 | 22.2 | -120.7 | -31.1 | 0 | 0 | 0 | 116.6 | ||||
| 930 | L | 31.1 | Very low | 35.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | 63.1 | 169.1 | 144 | -77.1 | 161.6 | 0 | 0 | 0 | 121.6 | Q932 | L930-Q932 HydrophobicContact CD2-CG 4.09Š| ||
| 931 | P | 40.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | cis | -126 | -157.5 | 7.3 | 39.7 | -19.7 | 0 | 0 | 0 | 117.6 | ||||
| 932 | Q | 30.7 | Very low | 35.6 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -131.4 | 167.2 | -156.4 | -47.9 | 158.3 | -77.3 | 0 | 0 | 116.1 | L930 | L930-Q932 HydrophobicContact CD2-CG 4.09Š| ||
| 933 | T | 36.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | trans | -147.8 | 108.8 | 155.7 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 934 | T | 31.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | 58.8 | 133.3 | 98.3 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 935 | N | 31.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | cis | -166.6 | 174.8 | 19.2 | -103.8 | -7 | 0 | 0 | 0 | 110.3 | ||||
| 936 | M | 34.4 | Very low | 35.7 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | cis | -150.4 | -71 | -4.5 | -121.3 | -102.3 | 75.5 | 0 | 0 | 116.3 | ||||
| 937 | P | 47.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | -131.3 | 177.4 | -138.3 | 42.3 | -27.2 | 0 | 0 | 0 | 117.7 | ||||
| 938 | P | 53 | Low | 35.3 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -117.5 | 179.6 | -4.7 | 43.5 | -31.2 | 0 | 0 | 0 | 112.7 | ||
| 939 | S | 37.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | cis | -144.7 | 179.1 | 13.8 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 940 | Q | 33.6 | Very low | 35.1 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | -94.9 | -173.1 | -165.8 | -65.2 | -173.9 | -44.3 | 0 | 0 | 113.9 | ||||
| 941 | P | 45.9 | Very low | 35.1 | Very low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | cis | -148 | 165.4 | 10.9 | 43.7 | -23.2 | 0 | 0 | 0 | 121.6 | ||||
| 942 | N | 33.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 64.4 | 150.7 | 146.1 | -65.5 | -7 | 0 | 0 | 0 | 120.9 | ||||
| 943 | N | 32.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | -165.6 | 158.5 | -9 | -121.3 | -17.9 | 0 | 0 | 0 | 114.6 | ||||
| 944 | I | 32 | Very low | 35 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | 76.8 | 109.7 | 142.9 | -68.1 | 165.3 | 0 | 0 | 0 | 123.6 | ||||
| 945 | S | 31.6 | Very low | 35 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 64.1 | 130.5 | 130.7 | -57.1 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 946 | G | 31.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 102.5 | 159.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 947 | T | 33 | Very low | 35.4 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | cis | -174.6 | 147.4 | -19.9 | 8.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 948 | F | 28.8 | Very low | 34.7 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | 66.5 | 158.2 | 157 | -83.2 | -129.5 | 0 | 0 | 0 | 117.3 | ||||
| 949 | E | 30.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | cis | -150.9 | 177.1 | -9.5 | -142 | -156 | 120 | 0 | 0 | 113.5 | R951 | E949-R951 VanDerWaalsContact CD-NH2 3.31Å; E949-R951 IonicContact OE1-CZ 3.25Å; E949-R951 IonicContact OE1-NH2 2.73Å; E949-R951 PolarHBondContact OE1-NH2 2.89Å; E949-R951 IonicContact OE2-NH2 2.7Å; E949-R951 PolarHBondContact OE2-NH2 2.85Å | ||
| 950 | S | 30.6 | Very low | 33.9 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 50% | 0.497 | 72% | 0.72 | S | S | . | * | trans | -47.6 | 153.5 | 176.9 | 64.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 951 | R | 31.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | -178 | 170 | 85.4 | -101.7 | 145.5 | -107.8 | -160 | -6.8 | 109.1 | E949 | E949-R951 VanDerWaalsContact CD-NH2 3.31Å; E949-R951 IonicContact OE1-CZ 3.25Å; E949-R951 IonicContact OE1-NH2 2.73Å; E949-R951 PolarHBondContact OE1-NH2 2.89Å; E949-R951 IonicContact OE2-NH2 2.7Å; E949-R951 PolarHBondContact OE2-NH2 2.85Å | |||
| 952 | F | 30.8 | Very low | 33.1 | Very low | 185 Ų | 185 | 135 Ų | 135 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | cis | -151.2 | -149.6 | 10.6 | -132.2 | -36.2 | 0 | 0 | 0 | 112.6 | ||||
| 953 | L | 30.4 | Very low | 33 | Very low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | trans | -149.9 | -169.4 | -169 | -78.2 | 168.1 | 0 | 0 | 0 | 110 | ||||
| 954 | P | 43.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | -136 | -176.5 | -58.6 | 40.2 | -24.4 | 0 | 0 | 0 | 113.7 | |||||
| 955 | N | 32.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | 157.8 | 155.4 | 137.1 | -85.1 | -16.1 | 0 | 0 | 0 | 113 | ||||
| 956 | I | 33.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | cis | -160.9 | 155.8 | -41.1 | -121.3 | 175.8 | 0 | 0 | 0 | 108.3 | ||||
| 957 | P | 39.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | trans | -118.1 | 173 | -159.1 | 42.8 | -35.5 | 0 | 0 | 0 | 117.8 | I959 | P957-I959 HydrophobicContact CB-CD1 4.26Å; P957-I959 HydrophobicContact CG-CD1 3.79Å | ||
| 958 | R | 33 | Very low | 32.7 | Very low | 241 Ų | 241 | 133.4 Ų | 133.4 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | trans | -149 | 136 | 149.9 | -74.8 | -170.1 | -177.9 | -178.6 | -0.5 | 109.6 | ||||
| 959 | I | 33.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 67% | 0.672 | 71% | 0.706 | S | S | * | * | cis | 82.9 | 127.1 | 12.4 | -49.9 | 174.4 | 0 | 0 | 0 | 113.6 | P957 | P957-I959 HydrophobicContact CB-CD1 4.26Å; P957-I959 HydrophobicContact CG-CD1 3.79Å | ||
| 960 | P | 41 | Very low | 32.8 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | cis | -151.7 | -177.3 | -29.7 | 43.5 | -23.1 | 0 | 0 | 0 | 117.3 | ||||
| 961 | V | 31.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | 91.6 | 141.4 | 128.8 | 107.3 | 0 | 0 | 0 | 0 | 127.2 | |||||
| 962 | L | 30.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 82.5 | 132.8 | 147.4 | -67.8 | 178.4 | 0 | 0 | 0 | 126.4 | ||||
| 963 | T | 31 | Very low | 32.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 75.5 | 97.2 | 138 | 46.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 964 | S | 30.1 | Very low | 33.1 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | 64.2 | 128.3 | 109.3 | 70.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 965 | T | 31.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 70 | 107.7 | 134 | 55 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 966 | T | 30.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 76.3 | 137.5 | 125.9 | 57.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 967 | T | 31.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | 74.4 | 103.1 | 142.5 | 45.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 968 | S | 30.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | 81.9 | 159.4 | 120.3 | 91.1 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 969 | S | 31.3 | Very low | 32.5 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -159.4 | 172.6 | 3.5 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 970 | L | 30.5 | Very low | 32.2 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 67.6 | 152.8 | 158.5 | -61.7 | 161.7 | 0 | 0 | 0 | 118.2 | ||||
| 971 | S | 29.1 | Very low | 31.7 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | cis | -169.8 | 175.3 | -22.5 | 59 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 972 | Q | 32.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 86.6 | 124.5 | 157.4 | -65.4 | 173.9 | 13.8 | 0 | 0 | 121.7 | ||||
| 973 | F | 31.3 | Very low | 31.6 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -87.6 | 158.3 | 157.7 | -87.3 | -88.9 | 0 | 0 | 0 | 109.4 | ||||
| 974 | P | 36.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | -152.8 | -174 | 78.3 | 39.4 | -17.5 | 0 | 0 | 0 | 117.2 | |||||
| 975 | I | 37.4 | Very low | 32 | Very low | 146 Ų | 146 | 137 Ų | 137 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -116.8 | 149.4 | -179.6 | -35 | 174.3 | 0 | 0 | 0 | 109.2 | ||||
| 976 | P | 40.5 | Very low | 31.9 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | -154.6 | 136.4 | 119.6 | 34.9 | -15.1 | 0 | 0 | 0 | 119.2 | |||||
| 977 | V | 31.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 66.6 | 117.2 | 125.5 | -176.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 978 | N | 29.5 | Very low | 32 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 41.6 | 132.3 | 143.1 | -58.3 | -17.2 | 0 | 0 | 0 | 124.4 | ||||
| 979 | S | 30.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | 176.5 | -178.7 | 91.2 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 980 | R | 26.3 | Very low | 31.9 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -93.6 | -180 | -152.7 | -62.4 | 174 | 174.6 | 173.9 | -2 | 117 | ||||
| 981 | F | 30.3 | Very low | 31.9 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 86.7 | 147.1 | 161.9 | -59 | -75.2 | 0 | 0 | 0 | 116.6 | ||||
| 982 | S | 32.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -158.4 | 166.2 | -5.7 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 983 | Q | 27.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -72.5 | 168.9 | 167.1 | -62.9 | -176.5 | -22.7 | 0 | 0 | 112.1 | ||||
| 984 | P | 38.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -144.5 | 162.3 | 94.5 | 38.5 | -23 | 0 | 0 | 0 | 117.9 | |||||
| 985 | N | 32.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -43.3 | 147.9 | 179.6 | -70.9 | -45 | 0 | 0 | 0 | 121.4 | ||||
| 986 | N | 30 | Very low | 31 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | 51 | 130.4 | 131.2 | -54.3 | -23 | 0 | 0 | 0 | 122 | ||||
| 987 | F | 30.5 | Very low | 30.9 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | -169.9 | 119 | 94.9 | -116.2 | -96.3 | 0 | 0 | 0 | 114.3 | |||||
| 988 | I | 31.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 132.7 | 143.5 | -71.8 | -172.6 | 0 | 0 | 0 | 123.6 | ||||
| 989 | Q | 30.4 | Very low | 31 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 65.3 | 104.9 | 158 | -79 | 164.9 | -13.5 | 0 | 0 | 120 | ||||
| 990 | T | 29.7 | Very low | 30.8 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 70.3 | 133.2 | 84 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 991 | S | 31.9 | Very low | 31.3 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -153.1 | 143.2 | 39.4 | -75.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 992 | I | 32.7 | Very low | 31.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 56.4 | 79.5 | 137.8 | -48.6 | 171.3 | 0 | 0 | 0 | 119.1 | ||||
| 993 | R | 27.4 | Very low | 31.1 | Very low | 239 Ų | 239 | 135.1 Ų | 135.1 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | 47.4 | 117.8 | 113 | -161.8 | -178.4 | -160 | 179.9 | 6.9 | 120.8 | |||||
| 994 | S | 24.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -142 | -177.7 | 142.1 | 66.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 995 | T | 34.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | trans | 82.7 | 131.2 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 996 | N | 27.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -78 | -178.7 | 159 | -85.6 | -12.5 | 0 | 0 | 0 | 109.2 | ||||
| 997 | P | 39.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | cis | -157.1 | -167.1 | 34.1 | 46.4 | -23.8 | 0 | 0 | 0 | 119.3 | ||||
| 998 | L | 30.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | 68.8 | 134.6 | 160.3 | -98.3 | 66.3 | 0 | 0 | 0 | 115.7 | ||||
| 999 | V | 31.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | cis | -151.9 | 161.3 | 12.9 | 145.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1000 | S | 27.4 | Very low | 30.5 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | cis | -179.2 | -161.6 | -24.3 | -68.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1001 | P | 36.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | cis | -130.2 | 177.4 | -17.4 | 43.2 | -26.7 | 0 | 0 | 0 | 115.6 | ||||
| 1002 | N | 28.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 61% | 0.61 | 71% | 0.711 | S | S | * | * | trans | 52.8 | 108.4 | 149 | -61.6 | 5.3 | 0 | 0 | 0 | 123.4 | ||||
| 1003 | Y | 31.6 | Very low | 30.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 44% | 0.443 | 71% | 0.708 | S | S | . | * | 172 | 156.4 | 94.7 | -94.3 | -58.7 | 0 | 0 | 0 | 115.4 | D1832 N1833 | Y1003-D1832 HydrophobicContact CE1-CB 3.86Å; Y1003-D1832 WeakPolarHBondContact OH-CB 3.42Å; Y1003-D1832 PolarHBondContact OH-OD2 2.95Å; Y1003-N1833 HydrophobicContact CD1-CB 4.21Å; Y1003-N1833 HydrophobicContact CD2-CB 4.2Å; Y1003-N1833 HydrophobicContact CE1-CB 3.85Å; Y1003-N1833 HydrophobicContact CE2-CB 3.81Å; Y1003-N1833 WeakPolarHBondContact CE2-ND2 3.41Å; Y1003-N1833 HydrophobicContact CG-CB 4.45Å | |||
| 1004 | S | 30.3 | Very low | 30.9 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | trans | -103.6 | 178 | -179.1 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1005 | S | 30.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | cis | -169.7 | 141.4 | -26.9 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1006 | T | 28.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | 55.5 | 118.7 | 149.5 | 57.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1007 | N | 27.7 | Very low | 30.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 52% | 0.519 | 70% | 0.703 | S | S | . | * | trans | 62.4 | 168.9 | 139.5 | -75.9 | 16.3 | 0 | 0 | 0 | 122.6 | C923 | C923-N1007 PolarHBondContact SG-ND2 2.86Š| ||
| 1008 | S | 32 | Very low | 30.5 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | -132.9 | 178.4 | -149.2 | 55.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 1009 | N | 28.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 77 | 138.4 | 178.6 | -64.3 | -7.6 | 0 | 0 | 0 | 116 | ||||
| 1010 | Q | 29.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | cis | -160.5 | 150.4 | 7.7 | -129 | 163.9 | -12 | 0 | 0 | 112.1 | ||||
| 1011 | F | 28.6 | Very low | 30.4 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -0.1 | 167.4 | 157.1 | -73.3 | -89.7 | 0 | 0 | 0 | 122.6 | ||||
| 1012 | P | 36.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | cis | -135.2 | -155.1 | 18.1 | 46.2 | -26.4 | 0 | 0 | 0 | 113.2 | ||||
| 1013 | P | 36.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -138.8 | 159.2 | -3.9 | 41.6 | -22.3 | 0 | 0 | 0 | 120.3 | ||||
| 1014 | Q | 28.3 | Very low | 30.2 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 54.2 | 114.2 | 140.5 | -70.6 | -175.2 | -31.3 | 0 | 0 | 125.7 | ||||
| 1015 | S | 31 | Very low | 30 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | -154.4 | 140 | 116.4 | 55.9 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 1016 | V | 28.3 | Very low | 30 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | cis | 64.7 | 123.7 | 40.9 | -162.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1017 | W | 26.6 | Very low | 29.9 | Very low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | cis | -134.6 | -165.9 | 39 | -66.2 | 63 | 0 | 0 | 0 | 112.4 | ||||
| 1018 | P | 31.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | -124.3 | 166.9 | -71.3 | 38.1 | -23.9 | 0 | 0 | 0 | 113.3 | |||||
| 1019 | Y | 27.3 | Very low | 29.8 | Very low | 239 Ų | 239 | 152.9 Ų | 152.9 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -114.2 | 142.2 | 166 | -109.4 | -89.3 | 0 | 0 | 0 | 110.4 | ||||
| 1020 | Q | 31 | Very low | 29.7 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 142.6 | 169.6 | -82.7 | -174.9 | -24.1 | 0 | 0 | 111.2 | ||||
| 1021 | S | 28.7 | Very low | 29.9 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 123.8 | -175 | 55.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1022 | I | 31 | Very low | 30.1 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -119.9 | 107.9 | 142.7 | -62.7 | -178.7 | 0 | 0 | 0 | 106.1 | ||||
| 1023 | N | 29.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | -99.9 | 128.8 | -175.5 | -139.4 | 5.2 | 0 | 0 | 0 | 109.2 | ||||
| 1024 | N | 30.9 | Very low | 29.2 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -150.8 | 134.7 | 139.7 | -118.2 | -25.3 | 0 | 0 | 0 | 110.3 | ||||
| 1025 | N | 27 | Very low | 29.4 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -83.6 | 151.7 | -166 | -67.4 | -70.1 | 0 | 0 | 0 | 112.5 | ||||
| 1026 | L | 30.2 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -166.1 | 75.2 | 135 | -103.8 | 163 | 0 | 0 | 0 | 112 | ||||
| 1027 | T | 27.3 | Very low | 29.3 | Very low | 97 Ų | 97 | 154.7 Ų | 154.7 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | trans | 25.8 | 141.5 | 138 | 61.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1028 | Y | 27.4 | Very low | 29.6 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 102.7 | 124.3 | 144.8 | -75.2 | -61.9 | 0 | 0 | 0 | 122.5 | ||||
| 1029 | Q | 30.2 | Very low | 29.4 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 67 | 98.2 | 141.6 | -78.6 | 162.1 | 4.1 | 0 | 0 | 122.8 | ||||
| 1030 | N | 26.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | -74.9 | 167.1 | 120.2 | -78.8 | -68.1 | 0 | 0 | 0 | 109 | |||||
| 1031 | P | 32.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -143 | -138.5 | 24.3 | 45 | -22.6 | 0 | 0 | 0 | 111.4 | ||||
| 1032 | P | 34 | Very low | 29.9 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | cis | -137.3 | -174.4 | -25.9 | 42.6 | -26.4 | 0 | 0 | 0 | 115.4 | ||||
| 1033 | Q | 29.7 | Very low | 29.7 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 68.7 | 156.3 | 150.7 | -71.9 | -150.4 | 36.5 | 0 | 0 | 119.2 | ||||
| 1034 | N | 25.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | cis | -163.5 | -177 | -25.3 | -121.2 | -27.4 | 0 | 0 | 0 | 110.8 | ||||
| 1035 | Y | 31 | Very low | 29.5 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | 79.4 | 153.5 | 169 | -57.4 | -86.6 | 0 | 0 | 0 | 118.2 | ||||
| 1036 | S | 28.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | 158.3 | 133.7 | -49 | -87 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1037 | K | 29.4 | Very low | 29.5 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | 88.2 | 149.6 | 147.9 | -77.1 | -179.4 | 175.2 | -179.5 | 0 | 123.7 | ||||
| 1038 | T | 32.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 97.7 | 125.6 | 147.2 | 23.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1039 | L | 29 | Very low | 29.7 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -85.8 | -178.6 | 163.6 | -126.2 | 77 | 0 | 0 | 0 | 109.4 | ||||
| 1040 | P | 35.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -157.8 | -162 | 46.6 | 41.7 | -16.6 | 0 | 0 | 0 | 118.7 | ||||
| 1041 | T | 32.9 | Very low | 30 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 90.7 | 161.7 | 149.9 | 29.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1042 | E | 29.2 | Very low | 29.8 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -126.2 | 170.1 | -150.7 | -52.6 | 179.4 | 95.5 | 0 | 0 | 115.5 | ||||
| 1043 | N | 27.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | 27.1 | 130.2 | 142.8 | -60.1 | -39 | 0 | 0 | 0 | 121.2 | ||||
| 1044 | F | 28.9 | Very low | 29.6 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | 173.8 | 126.9 | 100.6 | -102.9 | -80.1 | 0 | 0 | 0 | 115.4 | |||||
| 1045 | N | 26.7 | Very low | 29.8 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 41.4 | 125 | 138.4 | -76.4 | -1.8 | 0 | 0 | 0 | 126.5 | ||||
| 1046 | M | 27.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | 94.2 | 125.9 | 115.6 | -79.4 | -159.5 | 168.6 | 0 | 0 | 125.1 | |||||
| 1047 | V | 29.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 67.1 | 134.9 | 130.9 | 176.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1048 | G | 27.8 | Very low | 30.1 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | 155 | -162.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1049 | I | 31.7 | Very low | 30.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 73.6 | 128.3 | 179.5 | -51 | 172.3 | 0 | 0 | 0 | 112 | ||||
| 1050 | R | 29.9 | Very low | 30.5 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | cis | -147.8 | 164.2 | 12.1 | -132.5 | 169.9 | -67.2 | 156 | 1 | 107.2 | ||||
| 1051 | Y | 32.2 | Very low | 30.3 | Very low | 183 Ų | 183 | 141 Ų | 141 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | cis | -116.1 | -170.8 | 4 | -69.1 | -94.3 | 0 | 0 | 0 | 108.7 | ||||
| 1052 | R | 29 | Very low | 30.1 | Very low | 206 Ų | 206 | 142 Ų | 142 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | cis | 73.5 | 133.8 | 20.7 | -80.1 | -163.3 | -176.4 | -133.6 | 16.3 | 116.5 | ||||
| 1053 | Q | 29.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | cis | -165 | 162.9 | -17.2 | -144.3 | 169 | -7.1 | 0 | 0 | 114.3 | ||||
| 1054 | S | 30.3 | Very low | 30.2 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 74.2 | 152.7 | 157.5 | 78 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1055 | N | 29.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | cis | -166.6 | 176 | -8.8 | -113.7 | 25.9 | 0 | 0 | 0 | 107.8 | ||||
| 1056 | S | 30 | Very low | 30.3 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | cis | -166.1 | 165 | -13.9 | 40.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1057 | P | 38.2 | Very low | 30.9 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -103.8 | -175.8 | -168.8 | 41.3 | -37.6 | 0 | 0 | 0 | 116.4 | ||||
| 1058 | F | 26.8 | Very low | 30.9 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | 77.4 | 167 | 161.4 | -81.7 | -54.5 | 0 | 0 | 0 | 117.7 | ||||
| 1059 | P | 41.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -121.4 | -178.5 | -132.4 | 45.4 | -35.8 | 0 | 0 | 0 | 117.4 | ||||
| 1060 | N | 27.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 91.2 | 136.1 | 157.6 | -81.8 | -3.2 | 0 | 0 | 0 | 121.7 | ||||
| 1061 | T | 30.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 69.9 | 109.1 | 152.3 | 45.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1062 | L | 28.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 61 | 118.2 | 131.8 | -58.3 | 165.6 | 0 | 0 | 0 | 117.8 | ||||
| 1063 | S | 29.1 | Very low | 32 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 174.2 | 143.9 | 58.6 | 38.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1064 | Y | 30.2 | Very low | 32.2 | Very low | 206 Ų | 206 | 136 Ų | 136 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | 56.9 | 125.4 | 147.1 | -80.8 | -96.2 | 0 | 0 | 0 | 125.7 | ||||
| 1065 | Q | 29.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 99.5 | 136.6 | 136 | -98.5 | 165 | -0.3 | 0 | 0 | 122.4 | ||||
| 1066 | N | 27.9 | Very low | 32.6 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -95.1 | 174.6 | -174.3 | -59.3 | -26.4 | 0 | 0 | 0 | 111.9 | ||||
| 1067 | P | 38.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | -136.2 | 161.9 | 102.3 | 37.6 | -27.9 | 0 | 0 | 0 | 116 | |||||
| 1068 | M | 29.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -95.9 | 156.8 | 173.9 | -106.6 | -78.3 | -163.3 | 0 | 0 | 110.9 | ||||
| 1069 | P | 45.3 | Very low | 32.5 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | -151.4 | 170.9 | 102.7 | 35.5 | -17.8 | 0 | 0 | 0 | 115.4 | |||||
| 1070 | H | 32.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -171.1 | -170.8 | -39.5 | -126.5 | -64.9 | 0 | 0 | 0 | 109 | ||||
| 1071 | I | 32.7 | Very low | 32 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 79.6 | 129.5 | -179 | -53 | 173.9 | 0 | 0 | 0 | 112.7 | ||||
| 1072 | N | 32.3 | Very low | 31.7 | Very low | 121 Ų | 121 | 136 Ų | 136 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | cis | -169.2 | 167.3 | -24.1 | -99.6 | -3.7 | 0 | 0 | 0 | 105.5 | ||||
| 1073 | N | 32.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -159.1 | 168.9 | -0.9 | -115.8 | -5.3 | 0 | 0 | 0 | 106.8 | ||||
| 1074 | S | 33.6 | Very low | 31.8 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -160.9 | 155.3 | -5.5 | 40.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1075 | S | 31.8 | Very low | 32 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -16.3 | 157.8 | 149.5 | 60.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1076 | V | 34.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | cis | -145.6 | 159.2 | 40.9 | 174.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1077 | N | 25 | Very low | 32.7 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -140.6 | -178.7 | 177.9 | -153.1 | 8.5 | 0 | 0 | 0 | 106.6 | ||||
| 1078 | P | 37.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -127.7 | -171.8 | -20.7 | 42.4 | -25.9 | 0 | 0 | 0 | 113.3 | ||||
| 1079 | G | 31.6 | Very low | 32.7 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | -179.2 | 102 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1080 | Q | 29.4 | Very low | 31.7 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -52.6 | 166.4 | -171.8 | -64.2 | 170.6 | -57.4 | 0 | 0 | 119.1 | ||||
| 1081 | I | 28.9 | Very low | 31.4 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 95.7 | 94.3 | 161.8 | -53.1 | 170.5 | 0 | 0 | 0 | 117 | ||||
| 1082 | S | 24.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 65.3 | 153.4 | 140.9 | -57.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1083 | I | 27.4 | Very low | 31.2 | Very low | 171 Ų | 171 | 129 Ų | 129 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | 90.6 | 142.6 | 165.9 | -54.2 | 172.6 | 0 | 0 | 0 | 116.8 | ||||
| 1084 | A | 33.3 | Very low | 31.2 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | trans | 69.8 | 80.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1085 | S | 33.2 | Very low | 31.1 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | 60.7 | 145.4 | 108.6 | 71.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1086 | Q | 35.9 | Very low | 31 | Very low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 98.8 | 123.1 | 151 | -69.7 | -164.8 | -1.9 | 0 | 0 | 121.1 | ||||
| 1087 | H | 37.8 | Very low | 31 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 60.2 | 139.2 | 148.6 | -60.9 | -49.6 | 0 | 0 | 0 | 120.6 | ||||
| 1088 | S | 38.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | cis | -156.5 | 154.1 | -11 | -96.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1089 | Y | 28.7 | Very low | 31.1 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -89.6 | 142.1 | -167.1 | -76.7 | -87.8 | 0 | 0 | 0 | 115.8 | ||||
| 1090 | T | 23.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | S | Bend | -93.6 | 140.7 | 122.3 | 38.4 | 0 | 0 | 0 | 0 | 109.1 | |||
| 1091 | T | 27.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 51.3 | 106.9 | 171.1 | 60.2 | 0 | 0 | 0 | 0 | 119.1 | ||
| 1092 | L | 25.5 | Very low | 32.1 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | 175 | 172.7 | 113 | -112.7 | 95.9 | 0 | 0 | 0 | 111.7 | |||||
| 1093 | P | 35.6 | Very low | 32.6 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 46% | 0.455 | 72% | 0.719 | S | S | . | * | trans | -115.6 | 142.9 | 175.1 | 18.2 | 3.3 | 0 | 0 | 0 | 115.9 | V1119 | P1093-V1119 HydrophobicContact CB-CB 4Å; P1093-V1119 HydrophobicContact CB-CG1 3.83Å; P1093-V1119 VanDerWaalsContact CB-O 3.28Å; P1093-V1119 WeakPolarHBondContact CB-O 3.21Å; P1093-V1119 HydrophobicContact CG-CG1 4.25Å | ||
| 1094 | N | 30.3 | Very low | 32.8 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 37% | 0.369 | 72% | 0.717 | S | S | . | * | 145.8 | 139.7 | 115.6 | -157.7 | 20.1 | 0 | 0 | 0 | 119.8 | V1119 T1120 Q1121 | N1094-V1119 VanDerWaalsContact CA-O 3.23Å; N1094-V1119 WeakPolarHBondContact CA-O 3.3Å; N1094-V1119 VanDerWaalsContact CB-O 3.23Å; N1094-V1119 WeakPolarHBondContact CB-O 3.25Å; N1094-V1119 PolarHBondContact OD1-O 2.9Å; N1094-T1120 WeakPolarHBondContact OD1-CA 3.38Å; N1094-Q1121 PolarHBondContact ND2-N 3.3Å; N1094-Q1121 PolarHBondContact ND2-O 3.23Å | |||
| 1095 | H | 31.6 | Very low | 32.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 56% | 0.56 | 72% | 0.719 | S | S | * | * | trans | 60.4 | 115.2 | 148.2 | -85.8 | -8 | 0 | 0 | 0 | 127 | ||||
| 1096 | S | 31.4 | Very low | 32.4 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | 93.9 | 122.9 | 109 | 75 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 1097 | Q | 32.9 | Very low | 32.2 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | 82.1 | 171.9 | 141.2 | -71.9 | -176 | -0.8 | 0 | 0 | 121.7 | ||||
| 1098 | S | 32 | Very low | 31.7 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -147.6 | 164.4 | -133.5 | 54.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1099 | I | 33.1 | Very low | 31.4 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -170.7 | 167.7 | 147.7 | -100.9 | 153.9 | 0 | 0 | 0 | 111.1 | ||||
| 1100 | H | 32.7 | Very low | 31.6 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | -133.8 | -174.2 | -161.7 | -91.6 | -78.8 | 0 | 0 | 0 | 111.6 | ||||
| 1101 | P | 43.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | cis | -135.8 | -159.7 | -35 | 34.4 | -13 | 0 | 0 | 0 | 113.6 | ||||
| 1102 | V | 34.7 | Very low | 32 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 79.8 | 142.4 | 162.8 | 164.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1103 | S | 35.9 | Very low | 32.1 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | cis | -165.8 | -166.6 | -22.4 | -80.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1104 | Q | 32.2 | Very low | 31.8 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | cis | -158.9 | 138.2 | 7.7 | -161.4 | 148.9 | -46.4 | 0 | 0 | 114.5 | ||||
| 1105 | C | 26.6 | Very low | 31.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | trans | 39 | 105.6 | 148.6 | -155.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1106 | N | 29.9 | Very low | 31.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | -149.5 | 176.1 | 113.5 | -140.6 | -10.7 | 0 | 0 | 0 | 110.1 | |||||
| 1107 | T | 31.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | trans | -103.4 | 161.8 | -146.7 | 54.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1108 | N | 29.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 93.5 | 86.1 | 157.1 | -61.3 | -12.5 | 0 | 0 | 0 | 121.2 | ||||
| 1109 | A | 32 | Very low | 31.7 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | 54.6 | 131.5 | 112.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1110 | T | 31.6 | Very low | 31.7 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | cis | -160.1 | 152.8 | -13.6 | -44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1111 | T | 30.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | trans | -93.2 | 176 | 175.4 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1112 | Q | 29 | Very low | 31.2 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | cis | 92 | 129.4 | 14.6 | -85 | -160.7 | 7.3 | 0 | 0 | 121.2 | ||||
| 1113 | S | 28.3 | Very low | 31 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | 75.4 | 177.7 | 151.4 | 90.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1114 | L | 27.8 | Very low | 30.8 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | cis | 174.9 | 165.5 | -33.4 | -86.4 | -179.5 | 0 | 0 | 0 | 106 | ||||
| 1115 | L | 25.3 | Very low | 30.7 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | cis | -160.7 | 179.4 | -5.1 | -99.1 | 165.4 | 0 | 0 | 0 | 109.6 | ||||
| 1116 | P | 38 | Very low | 30.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -120.9 | -177.7 | -156.4 | 45.3 | -39.2 | 0 | 0 | 0 | 121.4 | ||||
| 1117 | T | 31.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | trans | 90.9 | 126.3 | 148.9 | 38 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 1118 | N | 30.7 | Very low | 30.8 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 78.4 | 159.2 | 143.3 | -62.6 | -17.7 | 0 | 0 | 0 | 122.6 | ||||
| 1119 | V | 31.5 | Very low | 31.7 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 47% | 0.473 | 72% | 0.72 | S | S | . | * | cis | -165.9 | 161.8 | -18.6 | 138.2 | 0 | 0 | 0 | 0 | 110.2 | P1093 N1094 | P1093-V1119 HydrophobicContact CB-CB 4Å; P1093-V1119 HydrophobicContact CB-CG1 3.83Å; P1093-V1119 VanDerWaalsContact CB-O 3.28Å; P1093-V1119 WeakPolarHBondContact CB-O 3.21Å; P1093-V1119 HydrophobicContact CG-CG1 4.25Å; N1094-V1119 VanDerWaalsContact CA-O 3.23Å; N1094-V1119 WeakPolarHBondContact CA-O 3.3Å; N1094-V1119 VanDerWaalsContact CB-O 3.23Å; N1094-V1119 WeakPolarHBondContact CB-O 3.25Å; N1094-V1119 PolarHBondContact OD1-O 2.9Å | ||
| 1120 | T | 32.7 | Very low | 31.5 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 52% | 0.515 | 72% | 0.721 | S | S | . | * | trans | -91.3 | -178.1 | -169 | 69.3 | 0 | 0 | 0 | 0 | 117.7 | N1094 | N1094-T1120 WeakPolarHBondContact OD1-CA 3.38Š| ||
| 1121 | Q | 33.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 42% | 0.421 | 72% | 0.722 | S | S | . | * | cis | -140.6 | -126.9 | 2.3 | -149.4 | 165.1 | -58.6 | 0 | 0 | 114.7 | N1094 | N1094-Q1121 PolarHBondContact ND2-N 3.3Å; N1094-Q1121 PolarHBondContact ND2-O 3.23Å | ||
| 1122 | T | 32.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | cis | -167.9 | -164.6 | 16.5 | -32.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1123 | Y | 29.1 | Very low | 31.2 | Very low | 214 Ų | 214 | 131.3 Ų | 131.3 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | trans | 78.8 | 170.1 | 175 | -77.6 | -115.8 | 0 | 0 | 0 | 118.4 | ||||
| 1124 | I | 32.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | -168.2 | 169.4 | -50 | -148.8 | 161.8 | 0 | 0 | 0 | 108.4 | |||||
| 1125 | N | 30.9 | Very low | 31 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | cis | -145.7 | -139 | 9.5 | -169.2 | 7.1 | 0 | 0 | 0 | 113.3 | ||||
| 1126 | S | 30.5 | Very low | 31 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -167.5 | 164.8 | -156.3 | 62.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1127 | Q | 29.1 | Very low | 30.5 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | -172.1 | 175.9 | 138.3 | -107.9 | -178.4 | 0.3 | 0 | 0 | 115.5 | ||||
| 1128 | Y | 30.5 | Very low | 30.3 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 86% | 0.863 | 72% | 0.716 | S | S | * | * | trans | -142.1 | 169.2 | -155.6 | -106.8 | -82.6 | 0 | 0 | 0 | 114.5 | ||||
| 1129 | P | 46.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | -158.3 | 157.5 | 93.9 | 40.6 | -19.9 | 0 | 0 | 0 | 120.8 | |||||
| 1130 | D | 28.8 | Very low | 30 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | 46.3 | 145.8 | 144.3 | -49.8 | -22.2 | 0 | 0 | 0 | 123.5 | ||||
| 1131 | S | 29.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | cis | -158 | -165.9 | 47.9 | -60.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1132 | N | 26.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | -119.4 | 153 | -152.7 | -104.5 | -40.2 | 0 | 0 | 0 | 119.5 | ||||
| 1133 | S | 27.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 81.2 | 138.1 | 137.5 | 74.8 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1134 | N | 27.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 66.6 | 131.7 | 138.5 | -67.6 | -10 | 0 | 0 | 0 | 125.6 | ||||
| 1135 | N | 26.5 | Very low | 28.9 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 69.6 | 126.8 | 139.4 | -79 | -3.2 | 0 | 0 | 0 | 124.2 | ||||
| 1136 | S | 25.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 69.6 | 118.6 | 131.8 | 68.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1137 | T | 26.7 | Very low | 29.1 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 71.3 | 117.2 | 132.9 | 50.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1138 | E | 26.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | 80.1 | 128.2 | 129.5 | -70.8 | -155.7 | 137.6 | 0 | 0 | 122.8 | |||||
| 1139 | K | 27.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | 72.4 | 147.9 | 142.2 | -70.3 | 163.7 | -170.8 | 154.5 | 0 | 116.7 | ||||
| 1140 | T | 28.7 | Very low | 28 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | cis | -146.4 | 156.9 | 9.5 | -7.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1141 | S | 27.2 | Very low | 28 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | trans | 22.8 | 148.3 | 131.3 | -50.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1142 | N | 28.6 | Very low | 27.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | cis | -168.2 | 148.7 | 19.9 | -133.4 | -8.3 | 0 | 0 | 0 | 112.1 | ||||
| 1143 | Q | 25.6 | Very low | 27.7 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | 58.5 | 146.2 | 151.7 | -61.5 | 165.4 | 15.7 | 0 | 0 | 117.2 | ||||
| 1144 | I | 31.8 | Very low | 27.7 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | -154.3 | 148.6 | 54.9 | -81.6 | 172.4 | 0 | 0 | 0 | 110.1 | |||||
| 1145 | K | 24.7 | Very low | 27.6 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -96.9 | -164 | 171.4 | -84 | -169.3 | 174 | -174.1 | 0 | 109.7 | ||||
| 1146 | P | 37.5 | Very low | 27.5 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 59% | 0.591 | 71% | 0.713 | S | S | * | * | cis | -138.2 | -162.3 | -4 | 16.2 | 14.3 | 0 | 0 | 0 | 114.6 | ||||
| 1147 | F | 29 | Very low | 27.6 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 77.9 | 145 | 154.7 | -62 | -54.2 | 0 | 0 | 0 | 119 | ||||
| 1148 | N | 28.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | cis | -161.2 | -174.8 | -28.8 | -139.1 | 47.2 | 0 | 0 | 0 | 112.1 | ||||
| 1149 | S | 26.7 | Very low | 27.7 | Very low | 76 Ų | 76 | 132 Ų | 132 | 53% | 0.531 | 72% | 0.717 | S | S | . | * | trans | -21.2 | 160.2 | 157.1 | 61.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1150 | E | 27.7 | Very low | 27.9 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | cis | -160.5 | -172.5 | 21.1 | -142.8 | 144.3 | -124.1 | 0 | 0 | 115 | ||||
| 1151 | S | 28.1 | Very low | 28 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | -76.5 | 159.3 | -172.3 | 53.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1152 | S | 26.8 | Very low | 28.1 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | 144.9 | 121.8 | 119.7 | -74.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1153 | L | 24.8 | Very low | 28.2 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 40.3 | 139.5 | 132.5 | -72.8 | 162.3 | 0 | 0 | 0 | 124.8 | ||||
| 1154 | T | 26.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 83.6 | 115.1 | 138.6 | 45.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1155 | V | 26.7 | Very low | 28 | Very low | 116 Ų | 116 | 132 Ų | 132 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | 84.5 | 116.8 | 122.6 | 168.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1156 | L | 24.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | 38.4 | 142.8 | 135.9 | -46.7 | 178.6 | 0 | 0 | 0 | 120.4 | ||||
| 1157 | D | 26.1 | Very low | 27.8 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -156.9 | -146.6 | -11 | -91 | -25.8 | 0 | 0 | 0 | 106.2 | ||||
| 1158 | T | 27.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | cis | -164.1 | 168.1 | 6.3 | -19.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1159 | D | 28.6 | Very low | 27.6 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | 66.5 | 150.9 | 155.9 | -54.1 | -32 | 0 | 0 | 0 | 119.1 | ||||
| 1160 | D | 31.5 | Very low | 27.6 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | cis | -128.3 | 172.3 | 19.6 | -165.6 | 10.9 | 0 | 0 | 0 | 113.1 | ||||
| 1161 | D | 30.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | trans | -108.7 | 162.6 | -171.5 | 179.8 | 53.5 | 0 | 0 | 0 | 114.8 | Y1163 | D1161-Y1163 PolarHBondContact OD1-N 3.28Å; D1161-Y1163 WeakPolarHBondContact OD2-CD2 3.5Å; D1161-Y1163 PolarHBondContact OD2-N 3.19Å | ||
| 1162 | A | 30.3 | Very low | 27.8 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -157.5 | 87.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1163 | Y | 29.6 | Very low | 27.9 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | trans | 51.7 | 113.5 | 134.4 | -77.9 | -86.2 | 0 | 0 | 0 | 122 | D1161 | D1161-Y1163 PolarHBondContact OD1-N 3.28Å; D1161-Y1163 WeakPolarHBondContact OD2-CD2 3.5Å; D1161-Y1163 PolarHBondContact OD2-N 3.19Å | ||
| 1164 | L | 28.2 | Very low | 27.9 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 87% | 0.869 | 68% | 0.676 | S | S | * | * | -169 | 143.6 | 89.1 | -107.2 | 173.6 | 0 | 0 | 0 | 114.6 | |||||
| 1165 | S | 26.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -113.6 | 174.7 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1166 | S | 28.9 | Very low | 27.8 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | cis | -169.5 | 173.9 | 24.3 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1167 | R | 28 | Very low | 28.2 | Very low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | 70.7 | 144.5 | 157.5 | -66.5 | 176 | -178 | -143.2 | -2.5 | 117.7 | ||||
| 1168 | L | 26.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | cis | -166.5 | 166.3 | -13.8 | -82.3 | 163.3 | 0 | 0 | 0 | 103.7 | ||||
| 1169 | K | 27.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 54% | 0.543 | 68% | 0.679 | S | S | . | * | cis | -171.1 | 178.2 | -5.9 | -112 | -163 | 146.4 | -160.8 | 0 | 105.2 | P879 M880 P881 | P879-K1169 CarbonylContact C-O 3.54Å; P879-K1169 VanDerWaalsContact C-O 3.29Å; P879-K1169 CarbonylContact O-C 3.51Å; P879-K1169 VanDerWaalsContact O-C 3.3Å; P879-K1169 VanDerWaalsContact O-CB 3.22Å; P879-K1169 WeakPolarHBondContact O-CB 3.36Å; M880-K1169 WeakPolarHBondContact CA-O 3.35Å; M880-K1169 PolarHBondContact N-O 3.43Å; P881-K1169 WeakPolarHBondContact CD-O 3.48Å | ||
| 1170 | S | 25.6 | Very low | 30.8 | Very low | 59 Ų | 59 | 122.5 Ų | 122.5 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | cis | 167.9 | 46.2 | -36.9 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | P881 | P881-S1170 CarbonylContact O-C 3.59Å; P881-S1170 WeakPolarHBondContact O-CA 3.39Å | ||
| 1171 | I | 27.5 | Very low | 32.1 | Very low | 74 Ų | 74 | 122 Ų | 122 | 38% | 0.379 | 65% | 0.65 | S | S | . | * | trans | -78 | 156.1 | 176.8 | -128.4 | 178.7 | 0 | 0 | 0 | 111.1 | M880 P881 G882 | M880-I1171 HydrophobicContact CB-CB 3.65Å; M880-I1171 HydrophobicContact CB-CD1 3.9Å; M880-I1171 HydrophobicContact CB-CG1 3.67Å; M880-I1171 HydrophobicContact CE-CG1 3.79Å; M880-I1171 HydrophobicContact CG-CB 4.21Å; M880-I1171 HydrophobicContact CG-CD1 4.38Å; M880-I1171 HydrophobicContact CG-CG1 3.9Å; M880-I1171 VanDerWaalsContact SD-CA 3.56Å; M880-I1171 HydrophobicContact SD-CB 3.94Å; M880-I1171 HydrophobicContact SD-CG1 3.76Å; M880-I1171 PolarHBondContact SD-N 2.91Å; M880-I1171 VanDerWaalsContact SD-N 3.4Å; P881-I1171 VanDerWaalsContact C-N 3.27Å; P881-I1171 CarbonylContact C-O 3.49Å; P881-I1171 VanDerWaalsContact C-O 3.27Å; P881-I1171 PolarHBondContact O-N 2.86Å; G882-I1171 PolarHBondContact N-O 2.81Å | ||
| 1172 | S | 33.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | trans | -142.6 | 138.8 | 153.9 | 43.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1173 | P | 28.6 | Very low | 34.4 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 51% | 0.506 | 62% | 0.615 | S | S | . | * | trans | -97.7 | 109.3 | 149.5 | 32 | -23 | 0 | 0 | 0 | 108.6 | ||||
| 1174 | I | 24.9 | Very low | 36 | Very low | 161 Ų | 161 | 113.2 Ų | 113.2 | 83% | 0.826 | 60% | 0.603 | S | S | * | * | trans | 43 | 94.2 | 153.2 | -46.2 | 176.3 | 0 | 0 | 0 | 115.5 | ||||
| 1175 | E | 25.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 108 Ų | 108 | 79% | 0.785 | 58% | 0.576 | S | S | * | * | trans | -73.1 | 148.8 | 157.4 | -77.1 | -173.7 | 117.8 | 0 | 0 | 110.7 | ||||
| 1176 | P | 25.8 | Very low | 39.3 | Very low | 108 Ų | 108 | 103.4 Ų | 103.4 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | trans | -65.7 | 146.9 | 166.9 | 30.7 | -34.5 | 0 | 0 | 0 | 109.9 | V1178 | P1176-V1178 PolarHBondContact O-N 2.93Š| ||
| 1177 | Q | 32 | Very low | 41 | Very low | 177 Ų | 177 | 105.2 Ų | 105.2 | 83% | 0.827 | 54% | 0.541 | S | S | * | . | trans | -60.1 | 112.4 | 169 | -82.7 | -177.7 | -48.6 | 0 | 0 | 109.5 | L1179 | Q1177-L1179 PolarHBondContact O-N 2.88Š| ||
| 1178 | V | 34.5 | Very low | 42.8 | Very low | 126 Ų | 126 | 98 Ų | 98 | 76% | 0.764 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 117.4 | 163.3 | 178 | 0 | 0 | 0 | 0 | 106.5 | P1176 T1180 | P1176-V1178 PolarHBondContact O-N 2.93Å; V1178-T1180 PolarHBondContact O-N 3.38Å; V1178-T1180 VanDerWaalsContact O-N 3.08Å |
| 1179 | L | 41.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 92.5 Ų | 92.5 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 120.2 | 171.9 | -86.3 | 80.2 | 0 | 0 | 0 | 107.8 | Q1177 D1183 K1187 | Q1177-L1179 PolarHBondContact O-N 2.88Å; L1179-D1183 HydrophobicContact CB-CB 3.9Å; L1179-D1183 HydrophobicContact CD2-CB 4.09Å; L1179-D1183 HydrophobicContact CG-CB 3.89Å; L1179-K1187 HydrophobicContact CD2-CD 4.27Å |
| 1180 | T | 59.3 | Low | 46.3 | Very low | 66 Ų | 66 | 87.8 Ų | 87.8 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 166 | 171.6 | 66.6 | 0 | 0 | 0 | 0 | 109.3 | V1178 D1182 D1183 L1184 | V1178-T1180 PolarHBondContact O-N 3.38Å; V1178-T1180 VanDerWaalsContact O-N 3.08Å; T1180-D1182 PolarHBondContact O-N 2.66Å; T1180-D1182 PolarHBondContact OG1-N 3.46Å; T1180-D1183 VanDerWaalsContact CB-OD2 3.3Å; T1180-D1183 WeakPolarHBondContact CB-OD2 3.37Å; T1180-D1183 WeakPolarHBondContact CG2-OD2 3.34Å; T1180-D1183 PolarHBondContact N-OD2 2.82Å; T1180-D1183 PolarHBondContact O-N 3.36Å; T1180-D1183 VanDerWaalsContact O-N 3.16Å; T1180-D1183 VanDerWaalsContact OG1-CG 3.31Å; T1180-D1183 PolarHBondContact OG1-N 2.9Å; T1180-D1183 VanDerWaalsContact OG1-N 3.11Å; T1180-D1183 PolarHBondContact OG1-OD2 2.77Å; T1180-L1184 PolarHBondContact O-N 3.45Å |
| 1181 | K | 58.8 | Low | 48 | Very low | 149 Ų | 149 | 90.5 Ų | 90.5 | 65% | 0.648 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.4 | -35.6 | 171.5 | -164.8 | -159.3 | 168.4 | -142.9 | 0 | 110.8 | L1184 D1185 | K1181-L1184 PolarHBondContact O-N 2.68Å; K1181-D1185 WeakPolarHBondContact CE-OD2 3.43Å; K1181-D1185 IonicContact NZ-OD2 3.58Å; K1181-D1185 PolarHBondContact NZ-OD2 3.27Å; K1181-D1185 PolarHBondContact O-N 2.93Å |
| 1182 | D | 53 | Low | 49.5 | Very low | 87 Ų | 87 | 92 Ų | 92 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.9 | -33.3 | -178.3 | -48 | -40.4 | 0 | 0 | 0 | 112.3 | T1180 A1186 | T1180-D1182 PolarHBondContact O-N 2.66Å; T1180-D1182 PolarHBondContact OG1-N 3.46Å; D1182-A1186 VanDerWaalsContact O-CB 3.23Å; D1182-A1186 WeakPolarHBondContact O-CB 3.5Å; D1182-A1186 PolarHBondContact O-N 2.98Å |
| 1183 | D | 57.8 | Low | 50.5 | Low | 27 Ų | 27 | 88.1 Ų | 88.1 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 168.7 | -61.7 | -66.5 | 0 | 0 | 0 | 111.5 | L1179 T1180 A1186 K1187 N1435 | L1179-D1183 HydrophobicContact CB-CB 3.9Å; L1179-D1183 HydrophobicContact CD2-CB 4.09Å; L1179-D1183 HydrophobicContact CG-CB 3.89Å; T1180-D1183 VanDerWaalsContact CB-OD2 3.3Å; T1180-D1183 WeakPolarHBondContact CB-OD2 3.37Å; T1180-D1183 WeakPolarHBondContact CG2-OD2 3.34Å; T1180-D1183 PolarHBondContact N-OD2 2.82Å; T1180-D1183 PolarHBondContact O-N 3.36Å; T1180-D1183 VanDerWaalsContact O-N 3.16Å; T1180-D1183 VanDerWaalsContact OG1-CG 3.31Å; T1180-D1183 PolarHBondContact OG1-N 2.9Å; T1180-D1183 VanDerWaalsContact OG1-N 3.11Å; T1180-D1183 PolarHBondContact OG1-OD2 2.77Å; D1183-A1186 PolarHBondContact O-N 2.99Å; D1183-K1187 WeakPolarHBondContact O-CB 3.4Å; D1183-K1187 PolarHBondContact O-N 2.71Å; D1183-N1435 PolarHBondContact OD1-ND2 2.8Å |
| 1184 | L | 63 | Low | 52 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 178.7 | -159.2 | 79.5 | 0 | 0 | 0 | 111.4 | T1180 K1181 A1186 K1187 L1188 | T1180-L1184 PolarHBondContact O-N 3.45Å; K1181-L1184 PolarHBondContact O-N 2.68Å; L1184-A1186 VanDerWaalsContact C-N 3.34Å; L1184-K1187 PolarHBondContact O-N 3.16Å; L1184-L1188 HydrophobicContact CG-CD1 4.5Å; L1184-L1188 WeakPolarHBondContact O-CB 3.42Å; L1184-L1188 WeakPolarHBondContact O-CG 3.28Å; L1184-L1188 PolarHBondContact O-N 3.39Å |
| 1185 | D | 62.7 | Low | 53.5 | Low | 58 Ų | 58 | 89.2 Ų | 89.2 | 31% | 0.31 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 173.3 | -81.1 | -18.4 | 0 | 0 | 0 | 110.8 | K1181 K1187 R1189 | K1181-D1185 WeakPolarHBondContact CE-OD2 3.43Å; K1181-D1185 IonicContact NZ-OD2 3.58Å; K1181-D1185 PolarHBondContact NZ-OD2 3.27Å; K1181-D1185 PolarHBondContact O-N 2.93Å; D1185-K1187 VanDerWaalsContact C-N 3.33Å; D1185-K1187 PolarHBondContact O-N 3.48Å; D1185-R1189 VanDerWaalsContact O-CB 3.24Å; D1185-R1189 WeakPolarHBondContact O-CB 3.49Å; D1185-R1189 PolarHBondContact O-N 3.32Å |
| 1186 | A | 60.8 | Low | 54.8 | Low | 3 Ų | 3 | 83.5 Ų | 83.5 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1182 D1183 L1184 R1189 E1190 R1412 I1619 | D1182-A1186 VanDerWaalsContact O-CB 3.23Å; D1182-A1186 WeakPolarHBondContact O-CB 3.5Å; D1182-A1186 PolarHBondContact O-N 2.98Å; D1183-A1186 PolarHBondContact O-N 2.99Å; L1184-A1186 VanDerWaalsContact C-N 3.34Å; A1186-R1189 WeakPolarHBondContact O-CB 3.46Å; A1186-R1189 PolarHBondContact O-N 2.9Å; A1186-E1190 PolarHBondContact O-N 3.31Å; A1186-R1412 VanDerWaalsContact CB-NH2 3.33Å; A1186-I1619 HydrophobicContact CB-CG1 4.44Å |
| 1187 | K | 64.2 | Low | 55.9 | Low | 122 Ų | 122 | 82.8 Ų | 82.8 | 53% | 0.53 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.4 | -40.7 | -179.9 | -158.7 | 172.8 | -173.8 | -179 | 0 | 112.5 | L1179 D1183 L1184 D1185 R1189 E1190 E1191 | L1179-K1187 HydrophobicContact CD2-CD 4.27Å; D1183-K1187 WeakPolarHBondContact O-CB 3.4Å; D1183-K1187 PolarHBondContact O-N 2.71Å; L1184-K1187 PolarHBondContact O-N 3.16Å; D1185-K1187 VanDerWaalsContact C-N 3.33Å; D1185-K1187 PolarHBondContact O-N 3.48Å; K1187-R1189 PolarHBondContact O-N 2.99Å; K1187-E1190 PolarHBondContact O-N 3.38Å; K1187-E1191 VanDerWaalsContact O-CB 3.31Å; K1187-E1191 WeakPolarHBondContact O-CB 3.27Å; K1187-E1191 PolarHBondContact O-N 2.91Å |
| 1188 | L | 66.4 | Low | 56.3 | Low | 72 Ų | 72 | 76.9 Ų | 76.9 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.3 | -22.4 | 171.8 | -72.9 | 168 | 0 | 0 | 0 | 113.2 | L1184 R1192 | L1184-L1188 HydrophobicContact CG-CD1 4.5Å; L1184-L1188 WeakPolarHBondContact O-CB 3.42Å; L1184-L1188 WeakPolarHBondContact O-CG 3.28Å; L1184-L1188 PolarHBondContact O-N 3.39Å; L1188-R1192 WeakPolarHBondContact O-CB 3.23Å; L1188-R1192 WeakPolarHBondContact O-CG 3.23Å; L1188-R1192 PolarHBondContact O-N 3.3Å; L1188-R1192 PolarHBondContact O-NE 3.18Å; L1188-R1192 VanDerWaalsContact O-NE 3.09Å |
| 1189 | R | 63.6 | Low | 56.3 | Low | 5 Ų | 5 | 73 Ų | 73 | 2% | 0.019 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -81.1 | -40.7 | 171.7 | -160.5 | -173.9 | -145.9 | 100.9 | -8.3 | 111.1 | D1185 A1186 K1187 R1192 L1193 D1401 D1408 C1410 L1618 | D1185-R1189 VanDerWaalsContact O-CB 3.24Å; D1185-R1189 WeakPolarHBondContact O-CB 3.49Å; D1185-R1189 PolarHBondContact O-N 3.32Å; A1186-R1189 WeakPolarHBondContact O-CB 3.46Å; A1186-R1189 PolarHBondContact O-N 2.9Å; K1187-R1189 PolarHBondContact O-N 2.99Å; R1189-R1192 PolarHBondContact O-N 3.15Å; R1189-L1193 HydrophobicContact CG-CD1 4.16Å; R1189-L1193 VanDerWaalsContact O-CB 3.29Å; R1189-L1193 WeakPolarHBondContact O-CB 3.27Å; R1189-L1193 WeakPolarHBondContact O-CG 3.16Å; R1189-L1193 PolarHBondContact O-N 2.92Å; R1189-D1401 IonicContact NH2-OD1 3.87Å; R1189-D1408 WeakPolarHBondContact CG-O 3.37Å; R1189-D1408 PolarHBondContact NE-O 2.86Å; R1189-C1410 PolarHBondContact NE-O 2.75Å; R1189-C1410 PolarHBondContact NH2-O 2.99Å; R1189-L1618 HydrophobicContact CB-CD1 4.35Å; R1189-L1618 HydrophobicContact CG-CD1 4.48Å |
| 1190 | E | 63.7 | Low | 55.7 | Low | 27 Ų | 27 | 73.1 Ų | 73.1 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.3 | -167.2 | -156.6 | 135.7 | 0 | 0 | 111.2 | A1186 K1187 L1193 R1194 R1616 N1617 L1618 | A1186-E1190 PolarHBondContact O-N 3.31Å; K1187-E1190 PolarHBondContact O-N 3.38Å; E1190-L1193 PolarHBondContact O-N 3.46Å; E1190-R1194 WeakPolarHBondContact O-CB 3.09Å; E1190-R1194 VanDerWaalsContact O-CG 3.28Å; E1190-R1194 WeakPolarHBondContact O-CG 3.5Å; E1190-R1194 PolarHBondContact O-N 3.4Å; E1190-R1194 IonicContact OE1-CZ 3.33Å; E1190-R1194 IonicContact OE1-NE 2.69Å; E1190-R1194 PolarHBondContact OE1-NE 3.42Å; E1190-R1194 IonicContact OE1-NH2 3.83Å; E1190-R1194 PolarHBondContact OE1-NH2 2.9Å; E1190-R1616 VanDerWaalsContact OE1-O 3.07Å; E1190-N1617 WeakPolarHBondContact OE2-CA 3.49Å; E1190-L1618 HydrophobicContact CB-CD1 3.9Å; E1190-L1618 HydrophobicContact CB-CG 4.16Å; E1190-L1618 HydrophobicContact CG-CD1 4.48Å; E1190-L1618 HydrophobicContact CG-CG 4.28Å |
| 1191 | E | 60.7 | Low | 54.3 | Low | 116 Ų | 116 | 74 Ų | 74 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.1 | -164.5 | 157.6 | -132.7 | 0 | 0 | 111.2 | K1187 R1194 E1195 | K1187-E1191 VanDerWaalsContact O-CB 3.31Å; K1187-E1191 WeakPolarHBondContact O-CB 3.27Å; K1187-E1191 PolarHBondContact O-N 2.91Å; E1191-R1194 WeakPolarHBondContact O-CB 3.47Å; E1191-R1194 PolarHBondContact O-N 3.21Å; E1191-E1195 WeakPolarHBondContact O-CG 3.48Å; E1191-E1195 PolarHBondContact O-N 2.96Å |
| 1192 | R | 58.6 | Low | 53.1 | Low | 105 Ų | 105 | 74.3 Ų | 74.3 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.6 | -28.1 | 175.8 | -74.1 | -176.5 | -70.5 | 147.5 | 3.3 | 114.7 | L1188 R1189 E1195 T1196 D1408 | L1188-R1192 WeakPolarHBondContact O-CB 3.23Å; L1188-R1192 WeakPolarHBondContact O-CG 3.23Å; L1188-R1192 PolarHBondContact O-N 3.3Å; L1188-R1192 PolarHBondContact O-NE 3.18Å; L1188-R1192 VanDerWaalsContact O-NE 3.09Å; R1189-R1192 PolarHBondContact O-N 3.15Å; R1192-E1195 WeakPolarHBondContact CG-OE2 3.29Å; R1192-E1195 PolarHBondContact O-N 3.41Å; R1192-T1196 WeakPolarHBondContact O-CB 3.46Å; R1192-T1196 PolarHBondContact O-N 2.94Å; R1192-T1196 PolarHBondContact O-OG1 3.12Å; R1192-D1408 IonicContact CZ-OD2 3.22Å; R1192-D1408 IonicContact NH1-OD2 2.71Å; R1192-D1408 PolarHBondContact NH1-OD2 3.2Å; R1192-D1408 IonicContact NH2-OD2 3.46Å; R1192-D1408 PolarHBondContact NH2-OD2 3.25Å |
| 1193 | L | 55.4 | Low | 51.9 | Low | 14 Ų | 14 | 75.4 Ų | 75.4 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 168.6 | -83.6 | 159.6 | 0 | 0 | 0 | 110.7 | R1189 E1190 T1196 Y1197 W1409 Y1612 L1618 | R1189-L1193 HydrophobicContact CG-CD1 4.16Å; R1189-L1193 VanDerWaalsContact O-CB 3.29Å; R1189-L1193 WeakPolarHBondContact O-CB 3.27Å; R1189-L1193 WeakPolarHBondContact O-CG 3.16Å; R1189-L1193 PolarHBondContact O-N 2.92Å; E1190-L1193 PolarHBondContact O-N 3.46Å; L1193-T1196 WeakPolarHBondContact O-CB 3.45Å; L1193-T1196 PolarHBondContact O-N 2.91Å; L1193-Y1197 HydrophobicContact CD2-CE2 3.97Å; L1193-Y1197 WeakPolarHBondContact O-CD2 3.31Å; L1193-Y1197 PolarHBondContact O-N 2.92Å; L1193-W1409 HydrophobicContact CD2-CB 4.39Å; L1193-Y1612 HydrophobicContact CD1-CE1 4.4Å; L1193-Y1612 WeakPolarHBondContact CD1-OH 3.22Å; L1193-L1618 HydrophobicContact CD1-CD1 3.87Å |
| 1194 | R | 59.9 | Low | 50.6 | Low | 134 Ų | 134 | 79 Ų | 79 | 51% | 0.506 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 169.8 | -72.9 | 167.9 | -179.4 | -102.1 | 8 | 111.1 | E1190 E1191 T1196 Y1197 S1198 R1616 | E1190-R1194 WeakPolarHBondContact O-CB 3.09Å; E1190-R1194 VanDerWaalsContact O-CG 3.28Å; E1190-R1194 WeakPolarHBondContact O-CG 3.5Å; E1190-R1194 PolarHBondContact O-N 3.4Å; E1190-R1194 IonicContact OE1-CZ 3.33Å; E1190-R1194 IonicContact OE1-NE 2.69Å; E1190-R1194 PolarHBondContact OE1-NE 3.42Å; E1190-R1194 IonicContact OE1-NH2 3.83Å; E1190-R1194 PolarHBondContact OE1-NH2 2.9Å; E1191-R1194 WeakPolarHBondContact O-CB 3.47Å; E1191-R1194 PolarHBondContact O-N 3.21Å; R1194-T1196 VanDerWaalsContact C-N 3.3Å; R1194-T1196 PolarHBondContact O-N 3.43Å; R1194-Y1197 CarbonylContact O-C 2.82Å; R1194-Y1197 PolarHBondContact O-N 2.88Å; R1194-Y1197 VanDerWaalsContact O-N 3.12Å; R1194-S1198 VanDerWaalsContact O-CB 3.3Å; R1194-S1198 WeakPolarHBondContact O-CB 3.48Å; R1194-S1198 PolarHBondContact O-N 3.4Å; R1194-S1198 PolarHBondContact O-OG 3.18Å; R1194-R1616 PolarHBondContact NH2-O 3.35Å |
| 1195 | E | 55.2 | Low | 48.9 | Very low | 127 Ų | 127 | 80 Ų | 80 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.9 | -41.8 | 173.8 | -71.3 | 177.3 | 161.5 | 0 | 0 | 112.3 | E1191 R1192 Y1197 S1198 | E1191-E1195 WeakPolarHBondContact O-CG 3.48Å; E1191-E1195 PolarHBondContact O-N 2.96Å; R1192-E1195 WeakPolarHBondContact CG-OE2 3.29Å; R1192-E1195 PolarHBondContact O-N 3.41Å; E1195-Y1197 VanDerWaalsContact C-N 3.29Å; E1195-Y1197 PolarHBondContact O-N 3.21Å; E1195-S1198 WeakPolarHBondContact CA-OG 3.45Å; E1195-S1198 PolarHBondContact O-N 3.16Å |
| 1196 | T | 54.2 | Low | 47.2 | Very low | 49 Ų | 49 | 85.6 Ų | 85.6 | 30% | 0.301 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 177.6 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | R1192 L1193 R1194 P1265 I1648 | R1192-T1196 WeakPolarHBondContact O-CB 3.46Å; R1192-T1196 PolarHBondContact O-N 2.94Å; R1192-T1196 PolarHBondContact O-OG1 3.12Å; L1193-T1196 WeakPolarHBondContact O-CB 3.45Å; L1193-T1196 PolarHBondContact O-N 2.91Å; R1194-T1196 VanDerWaalsContact C-N 3.3Å; R1194-T1196 PolarHBondContact O-N 3.43Å; T1196-P1265 HydrophobicContact CG2-CB 4.29Å; T1196-P1265 HydrophobicContact CG2-CG 4.3Å; T1196-I1648 HydrophobicContact CG2-CG2 4.13Å |
| 1197 | Y | 47.5 | Very low | 45.5 | Very low | 92 Ų | 92 | 89.3 Ų | 89.3 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -96.6 | -0.9 | 176.7 | -64.8 | -57.4 | 0 | 0 | 0 | 114.6 | L1193 R1194 E1195 K1613 I1648 | L1193-Y1197 HydrophobicContact CD2-CE2 3.97Å; L1193-Y1197 WeakPolarHBondContact O-CD2 3.31Å; L1193-Y1197 PolarHBondContact O-N 2.92Å; R1194-Y1197 CarbonylContact O-C 2.82Å; R1194-Y1197 PolarHBondContact O-N 2.88Å; R1194-Y1197 VanDerWaalsContact O-N 3.12Å; E1195-Y1197 VanDerWaalsContact C-N 3.29Å; E1195-Y1197 PolarHBondContact O-N 3.21Å; Y1197-K1613 HydrophobicContact CE2-CG 4.24Å; Y1197-I1648 WeakPolarHBondContact OH-CD1 3.32Å |
| 1198 | S | 41.4 | Very low | 43.7 | Very low | 53 Ų | 53 | 91 Ų | 91 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | trans | -113.1 | 64.1 | 176.7 | 68.9 | 0 | 0 | 0 | 0 | 110.9 | R1194 E1195 N1200 | R1194-S1198 VanDerWaalsContact O-CB 3.3Å; R1194-S1198 WeakPolarHBondContact O-CB 3.48Å; R1194-S1198 PolarHBondContact O-N 3.4Å; R1194-S1198 PolarHBondContact O-OG 3.18Å; E1195-S1198 WeakPolarHBondContact CA-OG 3.45Å; E1195-S1198 PolarHBondContact O-N 3.16Å; S1198-N1200 PolarHBondContact O-N 3.11Å | ||
| 1199 | G | 34.2 | Very low | 41.9 | Very low | 45 Ų | 45 | 91.9 Ų | 91.9 | 46% | 0.464 | 52% | 0.523 | S | S | . | . | trans | -67.7 | 100.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q582 | Q582-G1199 WeakPolarHBondContact CG-O 3.37Š| ||
| 1200 | N | 29.7 | Very low | 40.3 | Very low | 92 Ų | 92 | 98.4 Ų | 98.4 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | trans | -151.2 | 123.9 | 157.3 | -157.1 | 104.7 | 0 | 0 | 0 | 110 | Q582 S1198 | Q582-N1200 VanDerWaalsContact CB-OD1 3.32Å; Q582-N1200 WeakPolarHBondContact CB-OD1 3.3Å; Q582-N1200 HydrophobicContact CG-CB 4.45Å; S1198-N1200 PolarHBondContact O-N 3.11Å | ||
| 1201 | S | 30.4 | Very low | 38.6 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | trans | -136.3 | 125.1 | -168.9 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1202 | N | 32.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 102.8 Ų | 102.8 | 84% | 0.84 | 60% | 0.599 | S | S | * | * | trans | 164.9 | 146.5 | 147.9 | -93.5 | -56 | 0 | 0 | 0 | 108.4 | ||||
| 1203 | S | 27.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 105 Ų | 105 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | cis | -146.9 | 164.1 | 19.2 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1204 | P | 31.9 | Very low | 34.3 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | trans | -103.6 | 149.6 | -176 | 37.5 | -33.2 | 0 | 0 | 0 | 115.6 | ||||
| 1205 | S | 27.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | trans | 66.9 | 134.7 | 148.6 | 74.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1206 | L | 26.2 | Very low | 31.2 | Very low | 174 Ų | 174 | 113.8 Ų | 113.8 | 91% | 0.911 | 68% | 0.677 | S | S | * | * | -140.6 | 136.1 | 122.8 | -163.4 | 71.2 | 0 | 0 | 0 | 110.1 | |||||
| 1207 | S | 24.4 | Very low | 29.8 | Very low | 82 Ų | 82 | 116.1 Ų | 116.1 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | trans | -86.1 | 154 | 176.6 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | S1209 | S1207-S1209 PolarHBondContact OG-OG 3.23Š| ||
| 1208 | T | 26.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 117.2 Ų | 117.2 | 96% | 0.957 | 72% | 0.717 | S | S | * | * | trans | -102.1 | 106.4 | 149.2 | 31.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1209 | S | 29.3 | Very low | 28.1 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -139.7 | 121.9 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | S1207 | S1207-S1209 PolarHBondContact OG-OG 3.23Š| ||
| 1210 | T | 28.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | -177.8 | 132.7 | 168.9 | 21.5 | 0 | 0 | 0 | 0 | 104 | ||||
| 1211 | S | 28.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | -168.2 | 172.8 | 18.2 | 64.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1212 | N | 30.7 | Very low | 27.6 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -163.3 | 168.2 | 1.7 | -132.8 | -14.9 | 0 | 0 | 0 | 111.9 | ||||
| 1213 | L | 28 | Very low | 27.3 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 61 | 103.3 | 146.3 | -71.5 | 163.5 | 0 | 0 | 0 | 122.9 | ||||
| 1214 | I | 24.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -39.2 | 159.6 | 142.1 | -72.7 | 156.5 | 0 | 0 | 0 | 115.9 | ||||
| 1215 | K | 25.4 | Very low | 27 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 98.7 | 95.5 | 163.8 | -86.7 | 160.6 | -179.5 | 178.9 | 0 | 119.4 | ||||
| 1216 | S | 26.4 | Very low | 27 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | 165.2 | 141.4 | 106.2 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1217 | S | 24.9 | Very low | 27.1 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | 121.5 | 116.9 | -1.7 | 71 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1218 | S | 24.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 60.9 | 114.2 | 147.2 | 63 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1219 | S | 28 | Very low | 27.4 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | -163.2 | 147.4 | 115.4 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1220 | S | 29.8 | Very low | 27.5 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | cis | -150.5 | 155.2 | 2.2 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1221 | S | 29 | Very low | 27.7 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 29.7 | 124.1 | 150.1 | 59 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1222 | S | 25.2 | Very low | 27.7 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | 66.9 | 117.2 | 44.5 | 88.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1223 | N | 26.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 90.8 | 117 | 140.3 | -68.9 | 7.5 | 0 | 0 | 0 | 122.9 | ||||
| 1224 | F | 27.7 | Very low | 27.5 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | 90.6 | 103.8 | 138 | -81.4 | -123.1 | 0 | 0 | 0 | 121.9 | ||||
| 1225 | T | 26.2 | Very low | 27.7 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | 40.4 | 139.4 | 114.7 | 25.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1226 | T | 26.2 | Very low | 27.5 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | cis | -166.5 | -164.8 | -0.2 | -10.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1227 | V | 28.4 | Very low | 28 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 86.8 | 129.1 | 161.1 | -173 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1228 | N | 28.8 | Very low | 28 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | cis | -143.6 | -176.6 | 3.2 | -131.5 | 8.8 | 0 | 0 | 0 | 109.4 | ||||
| 1229 | E | 29.5 | Very low | 28.1 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | cis | -162.4 | 171.7 | 18.5 | -153.9 | 153.8 | -89.9 | 0 | 0 | 113.9 | ||||
| 1230 | N | 30.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | trans | 79.9 | 101.7 | 169 | -57.9 | -57.8 | 0 | 0 | 0 | 116.8 | ||||
| 1231 | K | 31.8 | Very low | 27.9 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | 74.9 | 133 | 78.9 | -70 | 166.8 | -160.4 | 143.1 | 0 | 112.8 | |||||
| 1232 | N | 28.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | cis | -169.2 | 168.9 | -1.8 | -113.8 | 39.8 | 0 | 0 | 0 | 107.5 | ||||
| 1233 | S | 27.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | cis | -175.4 | 172.1 | -19 | 50.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1234 | S | 26.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | 75.2 | 115.2 | 147.7 | 67.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1235 | L | 28.6 | Very low | 28.2 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | 90.4 | 145.8 | 130.2 | -68.7 | 167.9 | 0 | 0 | 0 | 123.6 | ||||
| 1236 | N | 22.7 | Very low | 28.3 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | -87.3 | -178.1 | 178.2 | -72.5 | -11.9 | 0 | 0 | 0 | 112.2 | ||||
| 1237 | P | 37 | Very low | 28.5 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | cis | -136.1 | -161.1 | -28.3 | 27.4 | -2.6 | 0 | 0 | 0 | 113.3 | ||||
| 1238 | I | 25 | Very low | 28.5 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | trans | 99.1 | 129.6 | 151 | -65 | 162.4 | 0 | 0 | 0 | 119.6 | ||||
| 1239 | Q | 25.5 | Very low | 28.6 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 77.9 | 137.1 | 156.9 | -87.7 | 164.1 | -11 | 0 | 0 | 124 | ||||
| 1240 | S | 27.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 57.8 | 96.1 | 154.6 | 51.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1241 | D | 26.1 | Very low | 28.8 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | -14.8 | 164 | 127.1 | -92.4 | -48.8 | 0 | 0 | 0 | 119.2 | |||||
| 1242 | P | 37.3 | Very low | 28.6 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -137.7 | 174.7 | 0.7 | 27.4 | -3.7 | 0 | 0 | 0 | 117.7 | ||||
| 1243 | L | 24.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 74.8 | 103.4 | 149 | -79 | 158.7 | 0 | 0 | 0 | 122.1 | ||||
| 1244 | A | 26.9 | Very low | 28.5 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | 66.3 | 145.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1245 | S | 26.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -173.3 | 139.8 | -16.4 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1246 | S | 27.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 174.9 | 154.8 | 64 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1247 | I | 28.9 | Very low | 28.2 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | cis | -144.2 | -173.4 | 13.7 | -45.7 | 160.1 | 0 | 0 | 0 | 109.5 | ||||
| 1248 | V | 29.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | 101.7 | 120.7 | 156.3 | 177.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1249 | T | 30.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | -155.6 | 161.2 | -7 | 16.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1250 | P | 33 | Very low | 28.2 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -106.8 | -176.9 | 176.7 | 42.4 | -34.3 | 0 | 0 | 0 | 114.2 | ||||
| 1251 | N | 31.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -163.6 | 152.5 | 159.2 | -96.8 | -31.2 | 0 | 0 | 0 | 109 | ||||
| 1252 | S | 27.3 | Very low | 29.7 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | cis | -169 | 142.5 | -10 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1253 | I | 27.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | 55.9 | 112.4 | 145.9 | -56.9 | 161 | 0 | 0 | 0 | 118.3 | ||||
| 1254 | N | 26.5 | Very low | 31.2 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | -154.2 | 114 | 113.1 | -155.4 | -2.1 | 0 | 0 | 0 | 111 | |||||
| 1255 | C | 23.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | trans | -120.1 | 115.7 | 175.9 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1256 | Q | 24.6 | Very low | 34.2 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | trans | -98.4 | 150.4 | 161.7 | -77.6 | -161.6 | -23.7 | 0 | 0 | 110.1 | V1258 | Q1256-V1258 VanDerWaalsContact C-N 3.33Å; Q1256-V1258 PolarHBondContact O-N 3.39Å | ||
| 1257 | P | 24.2 | Very low | 35.7 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -70.6 | 92.1 | 168.8 | 30.7 | -33 | 0 | 0 | 0 | 108.7 | L1259 | P1257-L1259 PolarHBondContact O-N 3.4Š| ||
| 1258 | V | 27 | Very low | 37.4 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | trans | -65.6 | 108 | 167 | 178 | 0 | 0 | 0 | 0 | 106.8 | Q1256 S1260 | Q1256-V1258 VanDerWaalsContact C-N 3.33Å; Q1256-V1258 PolarHBondContact O-N 3.39Å; V1258-S1260 PolarHBondContact O-N 3.18Å | ||
| 1259 | L | 27.6 | Very low | 39.1 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 89% | 0.885 | 63% | 0.63 | S | S | * | * | trans | -60.8 | 103.5 | 167.2 | -151.9 | 81.3 | 0 | 0 | 0 | 106.5 | P1257 K1261 | P1257-L1259 PolarHBondContact O-N 3.4Å; L1259-K1261 PolarHBondContact O-N 2.82Å | ||
| 1260 | S | 31.9 | Very low | 40.8 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | trans | -64.4 | 108.3 | -175.6 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | V1258 F1262 | V1258-S1260 PolarHBondContact O-N 3.18Å; S1260-F1262 PolarHBondContact O-N 2.87Å | ||
| 1261 | K | 39.1 | Very low | 42.3 | Very low | 202 Ų | 202 | 105.2 Ų | 105.2 | 88% | 0.878 | 59% | 0.589 | S | S | * | * | trans | -60.2 | 106.2 | 163.1 | -75.6 | -171.9 | 173.4 | -171.4 | 0 | 107 | L1259 | L1259-K1261 PolarHBondContact O-N 2.82Š| ||
| 1262 | F | 47.3 | Very low | 44.1 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 33% | 0.333 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 145 | 157.7 | -63.5 | -77.9 | 0 | 0 | 0 | 108.1 | S1260 Q1403 | S1260-F1262 PolarHBondContact O-N 2.87Å; F1262-Q1403 WeakPolarHBondContact CZ-O 3.34Å |
| 1263 | P | 45.7 | Very low | 46.3 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 145.7 | 173.4 | 25.6 | -33.7 | 0 | 0 | 0 | 109.3 | ||
| 1264 | P | 47.9 | Very low | 48.8 | Very low | 95 Ų | 95 | 92 Ų | 92 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 158.9 | 168.2 | 29.8 | -35 | 0 | 0 | 0 | 109.4 | E1266 | P1264-E1266 PolarHBondContact O-N 3.33Š|
| 1265 | P | 54.6 | Low | 51.2 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | trans | -59.7 | 102.8 | 175.4 | 25.6 | -34.6 | 0 | 0 | 0 | 110.1 | T1196 L1267 | T1196-P1265 HydrophobicContact CG2-CB 4.29Å; T1196-P1265 HydrophobicContact CG2-CG 4.3Å; P1265-L1267 PolarHBondContact O-N 2.64Å | ||
| 1266 | E | 60.7 | Low | 53.8 | Low | 81 Ų | 81 | 87 Ų | 87 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | trans | -75.4 | 100.9 | 175 | -84.5 | 174.2 | -159.9 | 0 | 0 | 107.7 | P1264 L1268 V1273 L1649 G1650 | P1264-E1266 PolarHBondContact O-N 3.33Å; E1266-L1268 PolarHBondContact O-N 3.15Å; E1266-V1273 HydrophobicContact CB-CG1 3.91Å; E1266-V1273 HydrophobicContact CB-CG2 3.77Å; E1266-V1273 HydrophobicContact CG-CG2 4.12Å; E1266-L1649 CarbonylContact O-C 3.46Å; E1266-G1650 WeakPolarHBondContact O-CA 3.34Å; E1266-G1650 PolarHBondContact O-N 3.47Å | ||
| 1267 | L | 59.2 | Low | 56.7 | Low | 116 Ų | 116 | 79.3 Ų | 79.3 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | trans | -65.2 | 133.4 | -175.2 | -67.4 | 173.5 | 0 | 0 | 0 | 110.5 | P1265 S1269 D1270 | P1265-L1267 PolarHBondContact O-N 2.64Å; L1267-S1269 PolarHBondContact O-N 3.03Å; L1267-D1270 PolarHBondContact O-N 3.26Å | ||
| 1268 | L | 66.4 | Low | 59.6 | Low | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 6 | 175.8 | -114.6 | 161.5 | 0 | 0 | 0 | 114.7 | E1266 L1274 F1277 A1646 T1690 K1694 | E1266-L1268 PolarHBondContact O-N 3.15Å; L1268-L1274 HydrophobicContact CD2-CB 4.43Å; L1268-L1274 HydrophobicContact CD2-CD1 3.46Å; L1268-L1274 VanDerWaalsContact CD2-CD1 3.46Å; L1268-F1277 HydrophobicContact CD1-CD2 4.39Å; L1268-F1277 HydrophobicContact CD1-CE2 4.45Å; L1268-F1277 HydrophobicContact CD2-CB 4.11Å; L1268-F1277 HydrophobicContact CD2-CD1 4.09Å; L1268-F1277 HydrophobicContact CD2-CG 3.99Å; L1268-A1646 WeakPolarHBondContact CD1-O 3.29Å; L1268-T1690 HydrophobicContact CD1-CG2 4Å; L1268-K1694 VanDerWaalsContact O-CE 3.31Å; L1268-K1694 WeakPolarHBondContact O-CE 3.29Å |
| 1269 | S | 65.1 | Low | 62.2 | Low | 43 Ų | 43 | 71.5 Ų | 71.5 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -9.8 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L1267 | L1267-S1269 PolarHBondContact O-N 3.03Š|
| 1270 | D | 66.3 | Low | 64.8 | Low | 71 Ų | 71 | 65.3 Ų | 65.3 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -78.2 | 124.7 | 169.3 | -177.7 | -51.4 | 0 | 0 | 0 | 109.3 | L1267 L1272 V1273 L1274 | L1267-D1270 PolarHBondContact O-N 3.26Å; D1270-L1272 VanDerWaalsContact C-N 3.3Å; D1270-L1272 PolarHBondContact O-N 3.23Å; D1270-L1272 WeakPolarHBondContact OD1-CA 3.44Å; D1270-L1272 VanDerWaalsContact OD1-CB 3.29Å; D1270-L1272 WeakPolarHBondContact OD1-CB 3.38Å; D1270-L1272 PolarHBondContact OD1-N 3.38Å; D1270-V1273 HydrophobicContact CB-CB 4.02Å; D1270-V1273 HydrophobicContact CB-CG2 3.72Å; D1270-V1273 PolarHBondContact O-N 3.33Å; D1270-V1273 PolarHBondContact OD1-N 3.44Å; D1270-L1274 VanDerWaalsContact O-CB 3.3Å; D1270-L1274 WeakPolarHBondContact O-CB 3.29Å; D1270-L1274 PolarHBondContact O-N 2.9Å |
| 1271 | P | 63.5 | Low | 67.5 | Low | 37 Ų | 37 | 61.6 Ų | 61.6 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -31.3 | -178.3 | -25.7 | 35.6 | 0 | 0 | 0 | 115 | D418 N1275 | D418-P1271 HydrophobicContact CB-CB 3.77Å; D418-P1271 VanDerWaalsContact OD2-CB 3.28Å; D418-P1271 WeakPolarHBondContact OD2-CB 3.5Å; P1271-N1275 WeakPolarHBondContact O-CB 3.4Å; P1271-N1275 PolarHBondContact O-N 2.92Å; P1271-N1275 VanDerWaalsContact O-N 3.09Å; P1271-N1275 PolarHBondContact O-ND2 3.32Å |
| 1272 | L | 69.4 | Low | 69.6 | Low | 89 Ų | 89 | 53.4 Ų | 53.4 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 177.5 | -58.6 | 179.9 | 0 | 0 | 0 | 110.3 | K421 D1270 N1275 Q1276 | K421-L1272 VanDerWaalsContact CE-CD2 3.44Å; K421-L1272 HydrophobicContact CG-CD2 4.2Å; D1270-L1272 VanDerWaalsContact C-N 3.3Å; D1270-L1272 PolarHBondContact O-N 3.23Å; D1270-L1272 WeakPolarHBondContact OD1-CA 3.44Å; D1270-L1272 VanDerWaalsContact OD1-CB 3.29Å; D1270-L1272 WeakPolarHBondContact OD1-CB 3.38Å; D1270-L1272 PolarHBondContact OD1-N 3.38Å; L1272-N1275 PolarHBondContact O-N 3.43Å; L1272-Q1276 PolarHBondContact O-N 3Å; L1272-Q1276 VanDerWaalsContact O-N 3.09Å |
| 1273 | V | 74.5 | Confident | 71.4 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -51 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | E1266 D1270 N1275 Q1276 F1277 G1650 | E1266-V1273 HydrophobicContact CB-CG1 3.91Å; E1266-V1273 HydrophobicContact CB-CG2 3.77Å; E1266-V1273 HydrophobicContact CG-CG2 4.12Å; D1270-V1273 HydrophobicContact CB-CB 4.02Å; D1270-V1273 HydrophobicContact CB-CG2 3.72Å; D1270-V1273 PolarHBondContact O-N 3.33Å; D1270-V1273 PolarHBondContact OD1-N 3.44Å; V1273-N1275 VanDerWaalsContact C-N 3.28Å; V1273-N1275 PolarHBondContact O-N 2.84Å; V1273-Q1276 CarbonylContact O-C 3.44Å; V1273-Q1276 WeakPolarHBondContact O-CA 3.48Å; V1273-Q1276 WeakPolarHBondContact O-CB 3.26Å; V1273-Q1276 PolarHBondContact O-N 2.89Å; V1273-F1277 PolarHBondContact O-N 3.41Å; V1273-G1650 VanDerWaalsContact CG1-O 3.31Å; V1273-G1650 WeakPolarHBondContact CG1-O 3.32Å |
| 1274 | L | 79.3 | Confident | 73.5 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.2 | -41.1 | 177.4 | 176.9 | 61.8 | 0 | 0 | 0 | 112.1 | L1268 D1270 F1277 I1278 L1691 K1694 I1696 | L1268-L1274 HydrophobicContact CD2-CB 4.43Å; L1268-L1274 HydrophobicContact CD2-CD1 3.46Å; L1268-L1274 VanDerWaalsContact CD2-CD1 3.46Å; D1270-L1274 VanDerWaalsContact O-CB 3.3Å; D1270-L1274 WeakPolarHBondContact O-CB 3.29Å; D1270-L1274 PolarHBondContact O-N 2.9Å; L1274-F1277 WeakPolarHBondContact O-CB 3.2Å; L1274-F1277 PolarHBondContact O-N 2.84Å; L1274-I1278 HydrophobicContact CD1-CD1 4.49Å; L1274-I1278 HydrophobicContact CG-CD1 4.2Å; L1274-I1278 WeakPolarHBondContact O-CD1 3.34Å; L1274-I1278 VanDerWaalsContact O-CG1 3.24Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.39Å; L1274-I1278 PolarHBondContact O-N 3.03Å; L1274-L1691 HydrophobicContact CD1-CD2 3.61Å; L1274-K1694 HydrophobicContact CD1-CD 4.25Å; L1274-I1696 HydrophobicContact CD1-CD1 4.18Å; L1274-I1696 HydrophobicContact CD2-CD1 3.94Å; L1274-I1696 HydrophobicContact CG-CD1 4.32Å |
| 1275 | N | 77.7 | Confident | 75.4 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 174.9 | -86.7 | -80.4 | 0 | 0 | 0 | 113.9 | D418 P1271 L1272 V1273 F1277 T1279 | D418-N1275 PolarHBondContact OD2-ND2 2.88Å; P1271-N1275 WeakPolarHBondContact O-CB 3.4Å; P1271-N1275 PolarHBondContact O-N 2.92Å; P1271-N1275 VanDerWaalsContact O-N 3.09Å; P1271-N1275 PolarHBondContact O-ND2 3.32Å; L1272-N1275 PolarHBondContact O-N 3.43Å; V1273-N1275 VanDerWaalsContact C-N 3.28Å; V1273-N1275 PolarHBondContact O-N 2.84Å; N1275-F1277 VanDerWaalsContact C-N 3.33Å; N1275-T1279 WeakPolarHBondContact O-CB 3.45Å; N1275-T1279 PolarHBondContact O-N 2.84Å; N1275-T1279 PolarHBondContact O-OG1 2.88Å |
| 1276 | Q | 78.4 | Confident | 76.8 | Confident | 116 Ų | 116 | 47.9 Ų | 47.9 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 173.1 | -173.9 | 167.3 | -33.4 | 0 | 0 | 110.8 | L1272 V1273 S1280 | L1272-Q1276 PolarHBondContact O-N 3Å; L1272-Q1276 VanDerWaalsContact O-N 3.09Å; V1273-Q1276 CarbonylContact O-C 3.44Å; V1273-Q1276 WeakPolarHBondContact O-CA 3.48Å; V1273-Q1276 WeakPolarHBondContact O-CB 3.26Å; V1273-Q1276 PolarHBondContact O-N 2.89Å; Q1276-S1280 WeakPolarHBondContact O-CB 3.47Å; Q1276-S1280 PolarHBondContact O-N 2.71Å; Q1276-S1280 PolarHBondContact O-OG 3.1Å |
| 1277 | F | 85.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -55.2 | 169.2 | -168.6 | -97.1 | 0 | 0 | 0 | 111.7 | L1268 V1273 L1274 N1275 T1279 S1280 A1281 A1646 G1650 M1652 A1687 T1690 L1691 | L1268-F1277 HydrophobicContact CD1-CD2 4.39Å; L1268-F1277 HydrophobicContact CD1-CE2 4.45Å; L1268-F1277 HydrophobicContact CD2-CB 4.11Å; L1268-F1277 HydrophobicContact CD2-CD1 4.09Å; L1268-F1277 HydrophobicContact CD2-CG 3.99Å; V1273-F1277 PolarHBondContact O-N 3.41Å; L1274-F1277 WeakPolarHBondContact O-CB 3.2Å; L1274-F1277 PolarHBondContact O-N 2.84Å; N1275-F1277 VanDerWaalsContact C-N 3.33Å; F1277-T1279 VanDerWaalsContact C-N 3.33Å; F1277-T1279 PolarHBondContact O-N 3.1Å; F1277-S1280 PolarHBondContact O-N 3.28Å; F1277-A1281 WeakPolarHBondContact O-CB 3.3Å; F1277-A1281 PolarHBondContact O-N 2.67Å; F1277-A1646 HydrophobicContact CE2-CB 3.49Å; F1277-A1646 VanDerWaalsContact CE2-CB 3.49Å; F1277-A1646 HydrophobicContact CZ-CB 3.85Å; F1277-G1650 WeakPolarHBondContact CB-O 3.41Å; F1277-G1650 WeakPolarHBondContact CD2-O 3.36Å; F1277-M1652 HydrophobicContact CD2-CG 3.85Å; F1277-M1652 HydrophobicContact CE2-CG 3.39Å; F1277-M1652 HydrophobicContact CE2-SD 4.2Å; F1277-M1652 HydrophobicContact CZ-CG 3.97Å; F1277-M1652 HydrophobicContact CZ-SD 4.2Å; F1277-A1687 HydrophobicContact CE1-CB 4.24Å; F1277-A1687 HydrophobicContact CZ-CB 4.08Å; F1277-T1690 HydrophobicContact CE1-CG2 4.43Å; F1277-T1690 HydrophobicContact CZ-CG2 4.49Å; F1277-L1691 HydrophobicContact CD1-CD1 3.72Å; F1277-L1691 HydrophobicContact CD1-CD2 4.09Å; F1277-L1691 HydrophobicContact CD1-CG 3.86Å; F1277-L1691 HydrophobicContact CE1-CD1 3.8Å; F1277-L1691 HydrophobicContact CE1-CG 3.84Å |
| 1278 | I | 83.6 | Confident | 79.5 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -49.5 | -53.2 | 174.8 | -72.2 | 163 | 0 | 0 | 0 | 110.7 | L1274 S1280 A1281 E1282 L1691 I1696 I1698 | L1274-I1278 HydrophobicContact CD1-CD1 4.49Å; L1274-I1278 HydrophobicContact CG-CD1 4.2Å; L1274-I1278 WeakPolarHBondContact O-CD1 3.34Å; L1274-I1278 VanDerWaalsContact O-CG1 3.24Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.39Å; L1274-I1278 PolarHBondContact O-N 3.03Å; I1278-S1280 VanDerWaalsContact C-N 3.27Å; I1278-S1280 PolarHBondContact O-N 3.29Å; I1278-A1281 PolarHBondContact O-N 3.42Å; I1278-E1282 HydrophobicContact CG2-CG 4.26Å; I1278-E1282 WeakPolarHBondContact CG2-OE2 3.43Å; I1278-E1282 WeakPolarHBondContact O-CB 3.31Å; I1278-E1282 WeakPolarHBondContact O-CG 3.41Å; I1278-E1282 PolarHBondContact O-N 2.87Å; I1278-L1691 HydrophobicContact CD1-CD2 4.31Å; I1278-L1691 HydrophobicContact CG1-CD1 3.9Å; I1278-L1691 HydrophobicContact CG1-CD2 3.67Å; I1278-L1691 HydrophobicContact CG1-CG 4.48Å; I1278-I1696 HydrophobicContact CD1-CD1 4.24Å; I1278-I1696 HydrophobicContact CD1-CG2 3.87Å; I1278-I1696 HydrophobicContact CG1-CG2 4.05Å; I1278-I1698 HydrophobicContact CG1-CG2 4.45Å; I1278-I1698 HydrophobicContact CG2-CG2 3.88Å |
| 1279 | T | 82.5 | Confident | 80.1 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -38.3 | -178.7 | -56.7 | 0 | 0 | 0 | 0 | 112 | N1275 F1277 L1283 | N1275-T1279 WeakPolarHBondContact O-CB 3.45Å; N1275-T1279 PolarHBondContact O-N 2.84Å; N1275-T1279 PolarHBondContact O-OG1 2.88Å; F1277-T1279 VanDerWaalsContact C-N 3.33Å; F1277-T1279 PolarHBondContact O-N 3.1Å; T1279-L1283 WeakPolarHBondContact O-CB 3.45Å; T1279-L1283 PolarHBondContact O-N 3.48Å; T1279-L1283 VanDerWaalsContact O-N 3.13Å |
| 1280 | S | 82.8 | Confident | 80.8 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73.1 | -38.2 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | Q1276 F1277 I1278 L1284 | Q1276-S1280 WeakPolarHBondContact O-CB 3.47Å; Q1276-S1280 PolarHBondContact O-N 2.71Å; Q1276-S1280 PolarHBondContact O-OG 3.1Å; F1277-S1280 PolarHBondContact O-N 3.28Å; I1278-S1280 VanDerWaalsContact C-N 3.27Å; I1278-S1280 PolarHBondContact O-N 3.29Å; S1280-L1284 PolarHBondContact O-N 3.02Å; S1280-L1284 VanDerWaalsContact O-N 3.15Å |
| 1281 | A | 87.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -49.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1277 I1278 L1283 L1284 L1285 M1652 A1687 L1691 I1698 | F1277-A1281 WeakPolarHBondContact O-CB 3.3Å; F1277-A1281 PolarHBondContact O-N 2.67Å; I1278-A1281 PolarHBondContact O-N 3.42Å; A1281-L1283 VanDerWaalsContact C-N 3.29Å; A1281-L1283 PolarHBondContact O-N 3.44Å; A1281-L1284 WeakPolarHBondContact O-CB 3.49Å; A1281-L1284 PolarHBondContact O-N 3.23Å; A1281-L1284 VanDerWaalsContact O-N 3.08Å; A1281-L1285 WeakPolarHBondContact O-CG 3.33Å; A1281-L1285 PolarHBondContact O-N 3.4Å; A1281-M1652 WeakPolarHBondContact CA-SD 3.41Å; A1281-M1652 HydrophobicContact CB-SD 3.61Å; A1281-A1687 HydrophobicContact CB-CB 3.9Å; A1281-L1691 HydrophobicContact CB-CD1 4.26Å; A1281-I1698 HydrophobicContact CB-CD1 3.49Å; A1281-I1698 VanDerWaalsContact CB-CD1 3.49Å |
| 1282 | E | 84.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 44 Ų | 44 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -41.6 | 173.8 | -71.9 | 179.4 | 107.8 | 0 | 0 | 112.1 | I1278 L1284 L1285 T1286 I1698 R1701 | I1278-E1282 HydrophobicContact CG2-CG 4.26Å; I1278-E1282 WeakPolarHBondContact CG2-OE2 3.43Å; I1278-E1282 WeakPolarHBondContact O-CB 3.31Å; I1278-E1282 WeakPolarHBondContact O-CG 3.41Å; I1278-E1282 PolarHBondContact O-N 2.87Å; E1282-L1284 VanDerWaalsContact C-N 3.31Å; E1282-L1284 PolarHBondContact O-N 3.34Å; E1282-L1285 PolarHBondContact O-N 2.95Å; E1282-T1286 WeakPolarHBondContact O-CB 3.32Å; E1282-T1286 PolarHBondContact O-N 2.87Å; E1282-T1286 PolarHBondContact O-OG1 3.41Å; E1282-I1698 HydrophobicContact CG-CB 4.16Å; E1282-I1698 HydrophobicContact CG-CG2 3.82Å; E1282-R1701 HydrophobicContact CB-CG 4.19Å; E1282-R1701 HydrophobicContact CG-CG 4.44Å; E1282-R1701 WeakPolarHBondContact OE1-CG 3.34Å; E1282-R1701 IonicContact OE1-CZ 2.74Å; E1282-R1701 IonicContact OE1-NE 2.59Å; E1282-R1701 PolarHBondContact OE1-NE 3.16Å; E1282-R1701 IonicContact OE1-NH2 2.74Å; E1282-R1701 IonicContact OE2-CZ 3.3Å; E1282-R1701 IonicContact OE2-NE 2.66Å; E1282-R1701 PolarHBondContact OE2-NE 2.92Å; E1282-R1701 IonicContact OE2-NH2 3.06Å; E1282-R1701 PolarHBondContact OE2-NH2 2.67Å |
| 1283 | L | 85.8 | Confident | 82.3 | Confident | 134 Ų | 134 | 43.2 Ų | 43.2 | 70% | 0.702 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.2 | -39.9 | 176.4 | -161 | 85.3 | 0 | 0 | 0 | 111.7 | T1279 A1281 W1287 | T1279-L1283 WeakPolarHBondContact O-CB 3.45Å; T1279-L1283 PolarHBondContact O-N 3.48Å; T1279-L1283 VanDerWaalsContact O-N 3.13Å; A1281-L1283 VanDerWaalsContact C-N 3.29Å; A1281-L1283 PolarHBondContact O-N 3.44Å; L1283-W1287 WeakPolarHBondContact O-CB 3.32Å; L1283-W1287 PolarHBondContact O-N 2.84Å; L1283-W1287 VanDerWaalsContact O-N 3.13Å |
| 1284 | L | 88.7 | Confident | 82.3 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 175 | -172.1 | 64.9 | 0 | 0 | 0 | 111.6 | S1280 A1281 E1282 W1287 L1288 M1652 V1655 A1680 I1683 | S1280-L1284 PolarHBondContact O-N 3.02Å; S1280-L1284 VanDerWaalsContact O-N 3.15Å; A1281-L1284 WeakPolarHBondContact O-CB 3.49Å; A1281-L1284 PolarHBondContact O-N 3.23Å; A1281-L1284 VanDerWaalsContact O-N 3.08Å; E1282-L1284 VanDerWaalsContact C-N 3.31Å; E1282-L1284 PolarHBondContact O-N 3.34Å; L1284-W1287 HydrophobicContact CD1-CE3 4.38Å; L1284-W1287 WeakPolarHBondContact O-CB 3.34Å; L1284-W1287 PolarHBondContact O-N 3.48Å; L1284-L1288 HydrophobicContact CG-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CG 4.47Å; L1284-L1288 WeakPolarHBondContact O-CB 3.44Å; L1284-L1288 VanDerWaalsContact O-CG 3.26Å; L1284-L1288 WeakPolarHBondContact O-CG 3.42Å; L1284-L1288 PolarHBondContact O-N 3Å; L1284-M1652 HydrophobicContact CD2-CE 3.57Å; L1284-V1655 HydrophobicContact CD1-CG2 4.16Å; L1284-V1655 HydrophobicContact CD2-CG2 4.06Å; L1284-A1680 HydrophobicContact CD1-CB 4.17Å; L1284-I1683 HydrophobicContact CD2-CB 4.42Å; L1284-I1683 HydrophobicContact CD2-CG2 4.27Å |
| 1285 | L | 87.2 | Confident | 81.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.6 | -66 | -175.8 | 0 | 0 | 0 | 112.3 | A1281 E1282 W1287 L1288 E1289 M1593 I1688 I1698 P1700 | A1281-L1285 WeakPolarHBondContact O-CG 3.33Å; A1281-L1285 PolarHBondContact O-N 3.4Å; E1282-L1285 PolarHBondContact O-N 2.95Å; L1285-W1287 PolarHBondContact O-N 2.83Å; L1285-L1288 HydrophobicContact CD2-CD1 4.44Å; L1285-L1288 PolarHBondContact O-N 3.04Å; L1285-E1289 PolarHBondContact O-N 2.99Å; L1285-M1593 HydrophobicContact CD2-CE 3.66Å; L1285-I1688 HydrophobicContact CD1-CD1 3.87Å; L1285-I1688 HydrophobicContact CD1-CG1 3.77Å; L1285-I1688 HydrophobicContact CD2-CD1 3.7Å; L1285-I1688 HydrophobicContact CD2-CG1 4.15Å; L1285-I1688 HydrophobicContact CG-CD1 4.45Å; L1285-I1698 HydrophobicContact CD1-CB 4.48Å; L1285-I1698 HydrophobicContact CD1-CD1 3.83Å; L1285-I1698 HydrophobicContact CD1-CG1 4.25Å; L1285-P1700 HydrophobicContact CB-CB 4.35Å; L1285-P1700 HydrophobicContact CB-CG 4.2Å |
| 1286 | T | 84 | Confident | 80 | Confident | 35 Ų | 35 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -28.7 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | E1282 R1701 | E1282-T1286 WeakPolarHBondContact O-CB 3.32Å; E1282-T1286 PolarHBondContact O-N 2.87Å; E1282-T1286 PolarHBondContact O-OG1 3.41Å; T1286-R1701 PolarHBondContact OG1-N 3.38Å; T1286-R1701 PolarHBondContact OG1-O 2.99Å |
| 1287 | W | 88.9 | Confident | 77.9 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.4 | -35.3 | 170.6 | -176.8 | 89.1 | 0 | 0 | 0 | 112.3 | L1283 L1284 L1285 N1290 L1335 A1338 F1656 Y1677 A1680 | L1283-W1287 WeakPolarHBondContact O-CB 3.32Å; L1283-W1287 PolarHBondContact O-N 2.84Å; L1283-W1287 VanDerWaalsContact O-N 3.13Å; L1284-W1287 HydrophobicContact CD1-CE3 4.38Å; L1284-W1287 WeakPolarHBondContact O-CB 3.34Å; L1284-W1287 PolarHBondContact O-N 3.48Å; L1285-W1287 PolarHBondContact O-N 2.83Å; W1287-N1290 PolarHBondContact O-N 3.22Å; W1287-L1335 HydrophobicContact CH2-CD1 3.69Å; W1287-L1335 HydrophobicContact CZ2-CD1 4.03Å; W1287-A1338 HydrophobicContact CH2-CB 4.38Å; W1287-A1338 HydrophobicContact CZ2-CB 3.53Å; W1287-F1656 AromaticContact CD2-CZ 3.93Å; W1287-F1656 HydrophobicContact CD2-CZ 3.93Å; W1287-F1656 AromaticContact CE2-CZ 3.67Å; W1287-F1656 HydrophobicContact CE3-CZ 4.28Å; W1287-F1656 HydrophobicContact CG-CZ 4.45Å; W1287-F1656 AromaticContact CH2-CE1 3.83Å; W1287-F1656 HydrophobicContact CH2-CE1 3.83Å; W1287-F1656 HydrophobicContact CH2-CZ 4.18Å; W1287-F1656 AromaticContact CZ2-CE1 3.83Å; W1287-F1656 HydrophobicContact CZ2-CE1 3.83Å; W1287-F1656 AromaticContact CZ2-CZ 3.82Å; W1287-F1656 HydrophobicContact CZ2-CZ 3.82Å; W1287-F1656 HydrophobicContact CZ3-CE1 4.18Å; W1287-F1656 HydrophobicContact CZ3-CZ 4.4Å; W1287-Y1677 HydrophobicContact CZ3-CD2 4.18Å; W1287-A1680 HydrophobicContact CZ3-CB 3.89Å |
| 1288 | L | 87.3 | Confident | 75.5 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.3 | -23.8 | -178.8 | -76.7 | 171.7 | 0 | 0 | 0 | 115.1 | L1284 L1285 P1291 M1593 Y1677 A1680 R1681 | L1284-L1288 HydrophobicContact CG-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CG 4.47Å; L1284-L1288 WeakPolarHBondContact O-CB 3.44Å; L1284-L1288 VanDerWaalsContact O-CG 3.26Å; L1284-L1288 WeakPolarHBondContact O-CG 3.42Å; L1284-L1288 PolarHBondContact O-N 3Å; L1285-L1288 HydrophobicContact CD2-CD1 4.44Å; L1285-L1288 PolarHBondContact O-N 3.04Å; L1288-P1291 WeakPolarHBondContact O-CD 3.45Å; L1288-M1593 HydrophobicContact CD1-CE 3.63Å; L1288-Y1677 HydrophobicContact CD2-CD2 3.65Å; L1288-Y1677 HydrophobicContact CD2-CE2 3.5Å; L1288-Y1677 PolarHBondContact O-OH 3.42Å; L1288-A1680 HydrophobicContact CD2-CB 3.85Å; L1288-R1681 HydrophobicContact CD2-CG 3.82Å |
| 1289 | E | 80.4 | Confident | 72.9 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 169.9 | -74.7 | -172.7 | 129.1 | 0 | 0 | 111.9 | L1285 P1291 P1700 H1702 | L1285-E1289 PolarHBondContact O-N 2.99Å; E1289-P1291 VanDerWaalsContact O-CD 3.27Å; E1289-P1291 WeakPolarHBondContact O-CD 3.47Å; E1289-P1700 HydrophobicContact CG-CB 3.55Å; E1289-P1700 HydrophobicContact CG-CG 3.54Å; E1289-P1700 WeakPolarHBondContact OE1-CB 3.29Å; E1289-P1700 WeakPolarHBondContact OE2-CB 3.29Å; E1289-H1702 IonicContact OE1-CE1 2.68Å; E1289-H1702 PolarHBondContact OE1-CE1 3.12Å; E1289-H1702 VanDerWaalsContact OE1-CE1 3.23Å; E1289-H1702 IonicContact OE1-ND1 2.59Å; E1289-H1702 PolarHBondContact OE1-ND1 3.45Å |
| 1290 | N | 80.2 | Confident | 70.4 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | trans | -122.8 | 48.5 | -163.8 | -76.6 | -70.5 | 0 | 0 | 0 | 113.4 | W1287 N1292 E1293 R1334 | W1287-N1290 PolarHBondContact O-N 3.22Å; N1290-N1292 VanDerWaalsContact C-N 3.27Å; N1290-N1292 PolarHBondContact O-N 2.91Å; N1290-E1293 HydrophobicContact CB-CB 4.1Å; N1290-E1293 WeakPolarHBondContact CB-OE2 3.35Å; N1290-E1293 VanDerWaalsContact O-CB 3.28Å; N1290-E1293 WeakPolarHBondContact O-CB 3.18Å; N1290-E1293 PolarHBondContact O-N 3.48Å; N1290-R1334 WeakPolarHBondContact O-CD 3.49Å | ||
| 1291 | P | 74.6 | Confident | 67.7 | Low | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.078 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -30.6 | -175.2 | 30.5 | -37.8 | 0 | 0 | 0 | 112.4 | L1288 E1289 R1334 L1335 Y1677 | L1288-P1291 WeakPolarHBondContact O-CD 3.45Å; E1289-P1291 VanDerWaalsContact O-CD 3.27Å; E1289-P1291 WeakPolarHBondContact O-CD 3.47Å; P1291-R1334 PolarHBondContact O-N 2.93Å; P1291-L1335 HydrophobicContact CB-CB 4.09Å; P1291-L1335 HydrophobicContact CB-CD2 4.37Å; P1291-L1335 WeakPolarHBondContact O-CB 3.41Å; P1291-L1335 PolarHBondContact O-N 3.31Å; P1291-Y1677 HydrophobicContact CB-CD2 3.87Å; P1291-Y1677 HydrophobicContact CB-CE2 3.79Å; P1291-Y1677 HydrophobicContact CG-CD2 4.15Å; P1291-Y1677 HydrophobicContact CG-CE2 3.59Å |
| 1292 | N | 78.1 | Confident | 64.9 | Low | 81 Ų | 81 | 75.5 Ų | 75.5 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.4 | -179 | -66.1 | -33.7 | 0 | 0 | 0 | 113.4 | N1290 L1294 T1333 | N1290-N1292 VanDerWaalsContact C-N 3.27Å; N1290-N1292 PolarHBondContact O-N 2.91Å; N1292-L1294 PolarHBondContact O-N 2.79Å; N1292-T1333 WeakPolarHBondContact O-CG2 3.43Å |
| 1293 | E | 78.2 | Confident | 62.1 | Low | 73 Ų | 73 | 80 Ų | 80 | 34% | 0.341 | 46% | 0.464 | S | S | . | . | trans | -61 | 128.1 | 176.3 | -175.1 | -167.9 | 121.5 | 0 | 0 | 110.7 | N1290 I1295 T1333 R1334 | N1290-E1293 HydrophobicContact CB-CB 4.1Å; N1290-E1293 WeakPolarHBondContact CB-OE2 3.35Å; N1290-E1293 VanDerWaalsContact O-CB 3.28Å; N1290-E1293 WeakPolarHBondContact O-CB 3.18Å; N1290-E1293 PolarHBondContact O-N 3.48Å; E1293-I1295 PolarHBondContact O-N 3.06Å; E1293-T1333 CarbonylContact O-C 3.58Å; E1293-T1333 WeakPolarHBondContact O-CA 3.32Å; E1293-R1334 HydrophobicContact CB-CG 4.22Å; E1293-R1334 PolarHBondContact O-N 3.28Å; E1293-R1334 IonicContact OE1-CZ 3.32Å; E1293-R1334 IonicContact OE1-NE 2.7Å; E1293-R1334 PolarHBondContact OE1-NE 2.96Å; E1293-R1334 IonicContact OE1-NH2 3.23Å; E1293-R1334 PolarHBondContact OE1-NH2 2.95Å; E1293-R1334 IonicContact OE2-CZ 3.37Å; E1293-R1334 IonicContact OE2-NE 3.79Å; E1293-R1334 PolarHBondContact OE2-NE 3.38Å; E1293-R1334 VanDerWaalsContact OE2-NE 3.14Å; E1293-R1334 IonicContact OE2-NH1 3.89Å; E1293-R1334 IonicContact OE2-NH2 2.65Å; E1293-R1334 PolarHBondContact OE2-NH2 2.93Å | ||
| 1294 | L | 72.9 | Confident | 59.3 | Low | 101 Ų | 101 | 78.9 Ų | 78.9 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 118.7 | -177 | -58.3 | 175.5 | 0 | 0 | 0 | 110.2 | N1292 S1296 T1333 | N1292-L1294 PolarHBondContact O-N 2.79Å; L1294-S1296 PolarHBondContact O-N 3.12Å; L1294-T1333 HydrophobicContact CD2-CG2 3.83Å |
| 1295 | I | 63.4 | Low | 56.2 | Low | 48 Ų | 48 | 84.8 Ų | 84.8 | 25% | 0.246 | 50% | 0.5 | C | S | . | . | trans | -77 | 111.3 | 177.1 | -59.9 | 179.9 | 0 | 0 | 0 | 108.6 | E1293 I1332 R1334 K1337 | E1293-I1295 PolarHBondContact O-N 3.06Å; I1295-I1332 WeakPolarHBondContact CB-O 3.31Å; I1295-I1332 PolarHBondContact N-O 2.91Å; I1295-R1334 HydrophobicContact CD1-CG 4.14Å; I1295-R1334 HydrophobicContact CG1-CG 4.05Å; I1295-K1337 HydrophobicContact CD1-CB 3.77Å; I1295-K1337 HydrophobicContact CD1-CD 3.35Å; I1295-K1337 HydrophobicContact CD1-CG 4.19Å | ||
| 1296 | S | 45.2 | Very low | 53.3 | Low | 101 Ų | 101 | 89 Ų | 89 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | trans | -65.6 | 148.3 | 167.8 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | L1294 G1298 | L1294-S1296 PolarHBondContact O-N 3.12Å; S1296-G1298 VanDerWaalsContact C-N 3.29Å; S1296-G1298 PolarHBondContact O-N 3.28Å | ||
| 1297 | T | 35.8 | Very low | 50.6 | Low | 150 Ų | 150 | 92.7 Ų | 92.7 | 92% | 0.92 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -77.9 | 75.2 | -175.1 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1298 | G | 33.5 | Very low | 47.6 | Very low | 68 Ų | 68 | 98.3 Ų | 98.3 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | trans | -175.5 | 46.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1296 | S1296-G1298 VanDerWaalsContact C-N 3.29Å; S1296-G1298 PolarHBondContact O-N 3.28Å | ||
| 1299 | D | 29.9 | Very low | 44.8 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | trans | -158.8 | 117.1 | 166.6 | -134.9 | -16.8 | 0 | 0 | 0 | 111.8 | ||||
| 1300 | S | 30.1 | Very low | 42.4 | Very low | 111 Ų | 111 | 109.8 Ų | 109.8 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -150.7 | 41.2 | -167.6 | 69.8 | 0 | 0 | 0 | 0 | 116.5 | I1302 | S1300-I1302 PolarHBondContact O-N 2.88Š| ||
| 1301 | D | 27 | Very low | 39.8 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | -94.8 | 77.2 | 168.4 | -91.7 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 1302 | I | 27.8 | Very low | 37.7 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -138 | 122.8 | 153.3 | -59.1 | -178.2 | 0 | 0 | 0 | 107.3 | S1300 V1304 | S1300-I1302 PolarHBondContact O-N 2.88Å; I1302-V1304 VanDerWaalsContact C-N 3.34Å; I1302-V1304 HydrophobicContact CG2-CG2 4.22Å; I1302-V1304 PolarHBondContact O-N 3.48Å |
| 1303 | P | 24.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 71% | 0.713 | S | S | * | * | trans | -75.8 | 80.3 | -176.1 | 30.9 | -35.9 | 0 | 0 | 0 | 112 | T1305 | P1303-T1305 PolarHBondContact O-N 3.27Å; P1303-T1305 VanDerWaalsContact O-N 3.17Å | ||
| 1304 | V | 27.1 | Very low | 33 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | trans | -79.8 | 95.4 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | I1302 S1306 | I1302-V1304 VanDerWaalsContact C-N 3.34Å; I1302-V1304 HydrophobicContact CG2-CG2 4.22Å; I1302-V1304 PolarHBondContact O-N 3.48Å; V1304-S1306 PolarHBondContact O-N 3.05Å | ||
| 1305 | T | 23.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -71.4 | 90.7 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | P1303 | P1303-T1305 PolarHBondContact O-N 3.27Å; P1303-T1305 VanDerWaalsContact O-N 3.17Å | ||
| 1306 | S | 26.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -136 | 85 | 169.6 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | V1304 | V1304-S1306 PolarHBondContact O-N 3.05Š| ||
| 1307 | S | 27.2 | Very low | 28.4 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 134.7 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | F1309 | S1307-F1309 PolarHBondContact O-N 3.49Š| ||
| 1308 | N | 25.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -53.9 | 135.1 | -177.9 | -63.4 | -48.3 | 0 | 0 | 0 | 113.2 | ||||
| 1309 | F | 28.5 | Very low | 27.8 | Very low | 207 Ų | 207 | 130.8 Ų | 130.8 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -120.5 | 103.4 | 154.3 | -116 | -77 | 0 | 0 | 0 | 108.9 | S1307 | S1307-F1309 PolarHBondContact O-N 3.49Š| ||
| 1310 | T | 28.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -78.6 | 125.5 | -175 | -36.4 | 0 | 0 | 0 | 0 | 110.6 | T1312 | T1310-T1312 PolarHBondContact O-N 3.27Š| ||
| 1311 | T | 26.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 128.2 | 177.3 | -41.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1312 | T | 29.1 | Very low | 28 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -104.2 | 121 | 163.7 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | T1310 | T1310-T1312 PolarHBondContact O-N 3.27Š| ||
| 1313 | T | 28.3 | Very low | 28.1 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | -113.3 | 121.6 | -174.6 | -45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1314 | T | 29.6 | Very low | 28.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | trans | -110.4 | 140 | 160.6 | 41 | 0 | 0 | 0 | 0 | 110 | ||||
| 1315 | T | 28.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -103.1 | 144.3 | -157.8 | 51 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1316 | T | 29.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -152.2 | 112.6 | 139.3 | 19.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1317 | T | 28.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | trans | 35.3 | 133 | 131 | 53.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1318 | T | 30.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | cis | -149.8 | 147.3 | 19.2 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1319 | N | 26.9 | Very low | 29.2 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | 19.1 | 148.1 | 135.5 | -46.9 | -10.8 | 0 | 0 | 0 | 120.4 | ||||
| 1320 | T | 31.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | cis | -149.5 | 141.3 | 33.8 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1321 | N | 26.7 | Very low | 30.7 | Very low | 142 Ų | 142 | 119 Ų | 119 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | 24.6 | 146.4 | 138.6 | -54.5 | -5.1 | 0 | 0 | 0 | 121.1 | ||||
| 1322 | T | 32.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | cis | -154 | 140.2 | 46.4 | 52.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1323 | N | 29.8 | Very low | 35.5 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | trans | 53.8 | 149.1 | 131.1 | -59.4 | 8.1 | 0 | 0 | 0 | 122.9 | ||||
| 1324 | T | 25.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 64% | 0.638 | 63% | 0.633 | S | S | * | * | cis | -173.6 | 146.3 | -22.1 | 30.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1325 | T | 27.5 | Very low | 40.9 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | trans | 61.5 | 154.8 | 158.5 | 56.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1326 | N | 29.1 | Very low | 43.7 | Very low | 100 Ų | 100 | 99.2 Ų | 99.2 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | cis | -145.9 | 162.9 | 20.1 | -153 | -4.1 | 0 | 0 | 0 | 112.3 | T784 L785 | T784-N1326 VanDerWaalsContact C-ND2 3.33Å; T784-N1326 PolarHBondContact N-OD1 3.22Å; T784-N1326 VanDerWaalsContact N-OD1 3.1Å; T784-N1326 PolarHBondContact O-ND2 3.13Å; L785-N1326 PolarHBondContact N-ND2 3.46Å | ||
| 1327 | T | 29.3 | Very low | 46.5 | Very low | 65 Ų | 65 | 97.9 Ų | 97.9 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | trans | -86.4 | 148.2 | -178.5 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | P783 T784 | P783-T1327 VanDerWaalsContact CA-OG1 3.26Å; P783-T1327 WeakPolarHBondContact CA-OG1 3.35Å; P783-T1327 HydrophobicContact CB-CG2 4.25Å; P783-T1327 WeakPolarHBondContact CB-OG1 3.25Å; T784-T1327 PolarHBondContact N-OG1 3.33Å | ||
| 1328 | N | 31 | Very low | 49.4 | Very low | 82 Ų | 82 | 92.3 Ų | 92.3 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | trans | -151.9 | 147.4 | 155.1 | -100.3 | -18.3 | 0 | 0 | 0 | 110.7 | L785 T1330 | L785-N1328 WeakPolarHBondContact CD2-ND2 3.36Å; L785-N1328 WeakPolarHBondContact CD2-OD1 3.34Å; L785-N1328 VanDerWaalsContact CG-OD1 3.29Å; L785-N1328 WeakPolarHBondContact CG-OD1 3.27Å; N1328-T1330 VanDerWaalsContact C-N 3.32Å; N1328-T1330 HydrophobicContact CB-CG2 4.21Å; N1328-T1330 PolarHBondContact O-N 2.94Å; N1328-T1330 PolarHBondContact O-OG1 3.35Å | ||
| 1329 | T | 35.8 | Very low | 52.3 | Low | 148 Ų | 148 | 88 Ų | 88 | 91% | 0.908 | 49% | 0.493 | S | S | * | . | trans | -70.7 | 88.1 | 166 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1330 | T | 40.1 | Very low | 55.4 | Low | 111 Ų | 111 | 85.6 Ų | 85.6 | 68% | 0.681 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 121.3 | -174.7 | 30.4 | 0 | 0 | 0 | 0 | 111.7 | N1328 I1332 | N1328-T1330 VanDerWaalsContact C-N 3.32Å; N1328-T1330 HydrophobicContact CB-CG2 4.21Å; N1328-T1330 PolarHBondContact O-N 2.94Å; N1328-T1330 PolarHBondContact O-OG1 3.35Å; T1330-I1332 PolarHBondContact O-N 2.99Å |
| 1331 | T | 50 | Low | 58.2 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 60% | 0.601 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 125.2 | 169 | 39.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1332 | I | 72.6 | Confident | 61.2 | Low | 60 Ų | 60 | 77.4 Ų | 77.4 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 119.7 | -173.4 | -67.3 | 178.7 | 0 | 0 | 0 | 108.9 | I1295 T1330 N1336 K1337 | I1295-I1332 WeakPolarHBondContact CB-O 3.31Å; I1295-I1332 PolarHBondContact N-O 2.91Å; T1330-I1332 PolarHBondContact O-N 2.99Å; I1332-N1336 HydrophobicContact CG2-CB 3.88Å; I1332-K1337 HydrophobicContact CG2-CB 3.96Å |
| 1333 | T | 83.1 | Confident | 64 | Low | 17 Ų | 17 | 76 Ų | 76 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 161.3 | 172 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | N1292 E1293 L1294 L1335 N1336 K1337 | N1292-T1333 WeakPolarHBondContact O-CG2 3.43Å; E1293-T1333 CarbonylContact O-C 3.58Å; E1293-T1333 WeakPolarHBondContact O-CA 3.32Å; L1294-T1333 HydrophobicContact CD2-CG2 3.83Å; T1333-L1335 PolarHBondContact O-N 2.84Å; T1333-N1336 PolarHBondContact O-N 3.13Å; T1333-N1336 WeakPolarHBondContact OG1-CB 3.37Å; T1333-N1336 PolarHBondContact OG1-N 3.05Å; T1333-N1336 PolarHBondContact OG1-ND2 3.08Å; T1333-K1337 PolarHBondContact O-N 2.7Å |
| 1334 | R | 84.7 | Confident | 66.8 | Low | 69 Ų | 69 | 74.3 Ų | 74.3 | 26% | 0.26 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -50.2 | -41.9 | 168.3 | -73 | -172.2 | 179.2 | -174.1 | 5.6 | 112.4 | N1290 P1291 E1293 I1295 K1337 A1338 | N1290-R1334 WeakPolarHBondContact O-CD 3.49Å; P1291-R1334 PolarHBondContact O-N 2.93Å; E1293-R1334 HydrophobicContact CB-CG 4.22Å; E1293-R1334 PolarHBondContact O-N 3.28Å; E1293-R1334 IonicContact OE1-CZ 3.32Å; E1293-R1334 IonicContact OE1-NE 2.7Å; E1293-R1334 PolarHBondContact OE1-NE 2.96Å; E1293-R1334 IonicContact OE1-NH2 3.23Å; E1293-R1334 PolarHBondContact OE1-NH2 2.95Å; E1293-R1334 IonicContact OE2-CZ 3.37Å; E1293-R1334 IonicContact OE2-NE 3.79Å; E1293-R1334 PolarHBondContact OE2-NE 3.38Å; E1293-R1334 VanDerWaalsContact OE2-NE 3.14Å; E1293-R1334 IonicContact OE2-NH1 3.89Å; E1293-R1334 IonicContact OE2-NH2 2.65Å; E1293-R1334 PolarHBondContact OE2-NH2 2.93Å; I1295-R1334 HydrophobicContact CD1-CG 4.14Å; I1295-R1334 HydrophobicContact CG1-CG 4.05Å; R1334-K1337 PolarHBondContact O-N 3.3Å; R1334-A1338 PolarHBondContact O-N 3Å |
| 1335 | L | 87.9 | Confident | 69.7 | Low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 175.9 | -177.1 | 55.7 | 0 | 0 | 0 | 113 | W1287 P1291 T1333 W1339 S1673 Y1674 | W1287-L1335 HydrophobicContact CH2-CD1 3.69Å; W1287-L1335 HydrophobicContact CZ2-CD1 4.03Å; P1291-L1335 HydrophobicContact CB-CB 4.09Å; P1291-L1335 HydrophobicContact CB-CD2 4.37Å; P1291-L1335 WeakPolarHBondContact O-CB 3.41Å; P1291-L1335 PolarHBondContact O-N 3.31Å; T1333-L1335 PolarHBondContact O-N 2.84Å; L1335-W1339 WeakPolarHBondContact O-CB 3.44Å; L1335-W1339 PolarHBondContact O-N 2.67Å; L1335-S1673 WeakPolarHBondContact CD1-O 3.35Å; L1335-Y1674 HydrophobicContact CD2-CD1 4.01Å; L1335-Y1674 HydrophobicContact CD2-CE1 4.1Å |
| 1336 | N | 86.2 | Confident | 72.5 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 34% | 0.342 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71 | -36.3 | 176.7 | -71 | -11.6 | 0 | 0 | 0 | 112.5 | I1332 T1333 W1339 Q1340 | I1332-N1336 HydrophobicContact CG2-CB 3.88Å; T1333-N1336 PolarHBondContact O-N 3.13Å; T1333-N1336 WeakPolarHBondContact OG1-CB 3.37Å; T1333-N1336 PolarHBondContact OG1-N 3.05Å; T1333-N1336 PolarHBondContact OG1-ND2 3.08Å; N1336-W1339 PolarHBondContact O-N 2.95Å; N1336-Q1340 WeakPolarHBondContact O-CG 3.49Å; N1336-Q1340 PolarHBondContact O-N 2.87Å |
| 1337 | K | 87.6 | Confident | 75.1 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 45% | 0.452 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.4 | -170.4 | 174.5 | -178.9 | 178.3 | 0 | 111.6 | I1295 I1332 T1333 R1334 Q1340 K1341 | I1295-K1337 HydrophobicContact CD1-CB 3.77Å; I1295-K1337 HydrophobicContact CD1-CD 3.35Å; I1295-K1337 HydrophobicContact CD1-CG 4.19Å; I1332-K1337 HydrophobicContact CG2-CB 3.96Å; T1333-K1337 PolarHBondContact O-N 2.7Å; R1334-K1337 PolarHBondContact O-N 3.3Å; K1337-Q1340 PolarHBondContact O-N 2.88Å; K1337-K1341 PolarHBondContact O-N 2.92Å; K1337-K1341 VanDerWaalsContact O-N 3.1Å |
| 1338 | A | 89.4 | Confident | 77.7 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1287 R1334 Q1340 K1341 V1342 F1656 L1676 | W1287-A1338 HydrophobicContact CH2-CB 4.38Å; W1287-A1338 HydrophobicContact CZ2-CB 3.53Å; R1334-A1338 PolarHBondContact O-N 3Å; A1338-Q1340 PolarHBondContact O-N 3.07Å; A1338-K1341 WeakPolarHBondContact O-CB 3.3Å; A1338-K1341 PolarHBondContact O-N 2.88Å; A1338-K1341 VanDerWaalsContact O-N 3.12Å; A1338-V1342 PolarHBondContact O-N 3.34Å; A1338-V1342 VanDerWaalsContact O-N 3.08Å; A1338-F1656 HydrophobicContact CB-CD1 3.91Å; A1338-F1656 HydrophobicContact CB-CD2 4.43Å; A1338-F1656 HydrophobicContact CB-CE1 3.71Å; A1338-F1656 HydrophobicContact CB-CE2 4.25Å; A1338-F1656 HydrophobicContact CB-CG 4.28Å; A1338-F1656 HydrophobicContact CB-CZ 3.89Å; A1338-L1676 HydrophobicContact CB-CD2 4.15Å |
| 1339 | W | 92.5 | Very high | 79.7 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 175.3 | -174 | -115.3 | 0 | 0 | 0 | 112.6 | L1335 N1336 K1341 V1342 Q1343 L1670 N1671 L1676 | L1335-W1339 WeakPolarHBondContact O-CB 3.44Å; L1335-W1339 PolarHBondContact O-N 2.67Å; N1336-W1339 PolarHBondContact O-N 2.95Å; W1339-K1341 VanDerWaalsContact C-N 3.33Å; W1339-K1341 PolarHBondContact O-N 3Å; W1339-V1342 HydrophobicContact CE3-CB 4.22Å; W1339-V1342 HydrophobicContact CE3-CG1 4.23Å; W1339-V1342 HydrophobicContact CZ3-CB 4.43Å; W1339-V1342 HydrophobicContact CZ3-CG1 3.93Å; W1339-V1342 WeakPolarHBondContact O-CB 3.31Å; W1339-V1342 PolarHBondContact O-N 3.31Å; W1339-Q1343 HydrophobicContact CZ2-CG 4.41Å; W1339-Q1343 VanDerWaalsContact NE1-NE2 3.14Å; W1339-Q1343 WeakPolarHBondContact O-CG 3.46Å; W1339-Q1343 PolarHBondContact O-N 3.43Å; W1339-L1670 HydrophobicContact CH2-CB 3.94Å; W1339-L1670 HydrophobicContact CZ3-CB 4.11Å; W1339-N1671 VanDerWaalsContact CZ2-C 3.44Å; W1339-N1671 WeakPolarHBondContact CZ2-O 3.43Å; W1339-L1676 HydrophobicContact CE3-CB 4.07Å; W1339-L1676 HydrophobicContact CE3-CD2 4.11Å; W1339-L1676 HydrophobicContact CZ3-CB 4.3Å |
| 1340 | Q | 90.1 | Very high | 81.2 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 170.1 | -78.1 | 179.9 | -10.6 | 0 | 0 | 111.9 | N1336 K1337 A1338 V1342 Q1343 T1344 | N1336-Q1340 WeakPolarHBondContact O-CG 3.49Å; N1336-Q1340 PolarHBondContact O-N 2.87Å; K1337-Q1340 PolarHBondContact O-N 2.88Å; A1338-Q1340 PolarHBondContact O-N 3.07Å; Q1340-V1342 PolarHBondContact O-N 2.9Å; Q1340-Q1343 PolarHBondContact O-N 3.33Å; Q1340-T1344 WeakPolarHBondContact O-CB 3.18Å; Q1340-T1344 PolarHBondContact O-N 2.88Å; Q1340-T1344 PolarHBondContact O-OG1 3.45Å |
| 1341 | K | 90.6 | Very high | 82.5 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.2 | -171.8 | -178.2 | -179.8 | -171.6 | 0 | 112 | K1337 A1338 W1339 T1344 L1345 D1654 F1656 | K1337-K1341 PolarHBondContact O-N 2.92Å; K1337-K1341 VanDerWaalsContact O-N 3.1Å; A1338-K1341 WeakPolarHBondContact O-CB 3.3Å; A1338-K1341 PolarHBondContact O-N 2.88Å; A1338-K1341 VanDerWaalsContact O-N 3.12Å; W1339-K1341 VanDerWaalsContact C-N 3.33Å; W1339-K1341 PolarHBondContact O-N 3Å; K1341-T1344 PolarHBondContact O-N 3.05Å; K1341-L1345 PolarHBondContact O-N 2.85Å; K1341-D1654 WeakPolarHBondContact CE-OD2 3.32Å; K1341-D1654 IonicContact NZ-OD2 2.87Å; K1341-D1654 PolarHBondContact NZ-OD2 3.29Å; K1341-F1656 HydrophobicContact CD-CB 4.04Å; K1341-F1656 HydrophobicContact CD-CD2 4.4Å |
| 1342 | V | 90.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | A1338 W1339 Q1340 T1344 L1345 A1346 F1656 A1659 L1676 | A1338-V1342 PolarHBondContact O-N 3.34Å; A1338-V1342 VanDerWaalsContact O-N 3.08Å; W1339-V1342 HydrophobicContact CE3-CB 4.22Å; W1339-V1342 HydrophobicContact CE3-CG1 4.23Å; W1339-V1342 HydrophobicContact CZ3-CB 4.43Å; W1339-V1342 HydrophobicContact CZ3-CG1 3.93Å; W1339-V1342 WeakPolarHBondContact O-CB 3.31Å; W1339-V1342 PolarHBondContact O-N 3.31Å; Q1340-V1342 PolarHBondContact O-N 2.9Å; V1342-T1344 PolarHBondContact O-N 2.9Å; V1342-L1345 PolarHBondContact O-N 3.49Å; V1342-A1346 WeakPolarHBondContact O-CB 3.33Å; V1342-A1346 PolarHBondContact O-N 2.8Å; V1342-F1656 HydrophobicContact CG2-CB 4.14Å; V1342-F1656 WeakPolarHBondContact CG2-O 3.45Å; V1342-A1659 HydrophobicContact CG1-CB 4.14Å; V1342-A1659 HydrophobicContact CG2-CB 3.89Å; V1342-L1676 HydrophobicContact CG2-CD1 3.89Å; V1342-L1676 HydrophobicContact CG2-CD2 3.69Å; V1342-L1676 HydrophobicContact CG2-CG 4.41Å |
| 1343 | Q | 90.1 | Very high | 83.3 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 178 | -71.6 | -178.5 | -37.1 | 0 | 0 | 112.6 | W1339 Q1340 A1346 N1347 | W1339-Q1343 HydrophobicContact CZ2-CG 4.41Å; W1339-Q1343 VanDerWaalsContact NE1-NE2 3.14Å; W1339-Q1343 WeakPolarHBondContact O-CG 3.46Å; W1339-Q1343 PolarHBondContact O-N 3.43Å; Q1340-Q1343 PolarHBondContact O-N 3.33Å; Q1343-A1346 PolarHBondContact O-N 2.97Å; Q1343-N1347 WeakPolarHBondContact O-CB 3.36Å; Q1343-N1347 PolarHBondContact O-N 3.38Å; Q1343-N1347 VanDerWaalsContact O-N 3.13Å; Q1343-N1347 PolarHBondContact O-ND2 3.49Å |
| 1344 | T | 88.9 | Confident | 82.8 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.9 | -43.9 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | Q1340 K1341 V1342 N1347 S1348 | Q1340-T1344 WeakPolarHBondContact O-CB 3.18Å; Q1340-T1344 PolarHBondContact O-N 2.88Å; Q1340-T1344 PolarHBondContact O-OG1 3.45Å; K1341-T1344 PolarHBondContact O-N 3.05Å; V1342-T1344 PolarHBondContact O-N 2.9Å; T1344-N1347 PolarHBondContact O-N 3.27Å; T1344-S1348 PolarHBondContact O-N 2.89Å |
| 1345 | L | 87.6 | Confident | 82.1 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 173.4 | -116.7 | 82.3 | 0 | 0 | 0 | 111.8 | K1341 V1342 N1347 S1348 T1657 Y1661 Q1664 | K1341-L1345 PolarHBondContact O-N 2.85Å; V1342-L1345 PolarHBondContact O-N 3.49Å; L1345-N1347 PolarHBondContact O-N 2.9Å; L1345-N1347 VanDerWaalsContact O-N 3.1Å; L1345-S1348 PolarHBondContact O-N 3.15Å; L1345-S1348 PolarHBondContact O-OG 2.92Å; L1345-T1657 HydrophobicContact CD2-CG2 4.06Å; L1345-Y1661 HydrophobicContact CD2-CD1 3.77Å; L1345-Y1661 HydrophobicContact CD2-CE1 3.65Å; L1345-Y1661 HydrophobicContact CD2-CG 4.27Å; L1345-Q1664 VanDerWaalsContact O-CG 3.23Å; L1345-Q1664 WeakPolarHBondContact O-CG 3.37Å; L1345-Q1664 PolarHBondContact O-NE2 3.42Å |
| 1346 | A | 85.5 | Confident | 81.3 | Confident | 22 Ų | 22 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.1 | -30.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1342 Q1343 C1663 | V1342-A1346 WeakPolarHBondContact O-CB 3.33Å; V1342-A1346 PolarHBondContact O-N 2.8Å; Q1343-A1346 PolarHBondContact O-N 2.97Å; A1346-C1663 HydrophobicContact CB-CB 3.55Å |
| 1347 | N | 84.3 | Confident | 80.5 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.8 | 179.4 | -72.7 | -66 | 0 | 0 | 0 | 115 | Q1343 T1344 L1345 F1349 | Q1343-N1347 WeakPolarHBondContact O-CB 3.36Å; Q1343-N1347 PolarHBondContact O-N 3.38Å; Q1343-N1347 VanDerWaalsContact O-N 3.13Å; Q1343-N1347 PolarHBondContact O-ND2 3.49Å; T1344-N1347 PolarHBondContact O-N 3.27Å; L1345-N1347 PolarHBondContact O-N 2.9Å; L1345-N1347 VanDerWaalsContact O-N 3.1Å; N1347-F1349 WeakPolarHBondContact O-CD1 3.38Å; N1347-F1349 WeakPolarHBondContact O-CE1 3.21Å; N1347-F1349 PolarHBondContact O-N 3.15Å |
| 1348 | S | 83.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | trans | -83.1 | 40.6 | -179.3 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | T1344 L1345 T1350 T1351 S1352 Q1664 | T1344-S1348 PolarHBondContact O-N 2.89Å; L1345-S1348 PolarHBondContact O-N 3.15Å; L1345-S1348 PolarHBondContact O-OG 2.92Å; S1348-T1350 PolarHBondContact O-N 3.49Å; S1348-T1350 VanDerWaalsContact O-N 3.15Å; S1348-T1351 PolarHBondContact O-N 2.87Å; S1348-T1351 VanDerWaalsContact O-N 3.1Å; S1348-T1351 PolarHBondContact O-OG1 2.91Å; S1348-S1352 PolarHBondContact O-N 3.41Å; S1348-Q1664 PolarHBondContact OG-NE2 3.1Å | ||
| 1349 | F | 73.3 | Confident | 79 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 18% | 0.18 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -61.7 | -22.7 | -175.1 | 42.1 | -103.5 | 0 | 0 | 0 | 114.7 | N1347 T1351 S1352 F1355 G1357 R1359 | N1347-F1349 WeakPolarHBondContact O-CD1 3.38Å; N1347-F1349 WeakPolarHBondContact O-CE1 3.21Å; N1347-F1349 PolarHBondContact O-N 3.15Å; F1349-T1351 VanDerWaalsContact C-N 3.27Å; F1349-T1351 PolarHBondContact O-N 3.27Å; F1349-S1352 WeakPolarHBondContact O-CB 3.28Å; F1349-S1352 PolarHBondContact O-N 3.28Å; F1349-F1355 HydrophobicContact CB-CD2 4.37Å; F1349-G1357 WeakPolarHBondContact O-CA 3.4Å; F1349-R1359 HydrophobicContact CD1-CG 4.44Å; F1349-R1359 HydrophobicContact CD2-CB 3.99Å; F1349-R1359 HydrophobicContact CD2-CG 4.02Å; F1349-R1359 HydrophobicContact CE1-CG 4.21Å; F1349-R1359 HydrophobicContact CE2-CB 3.96Å; F1349-R1359 HydrophobicContact CE2-CG 3.76Å; F1349-R1359 HydrophobicContact CG-CG 4.38Å; F1349-R1359 HydrophobicContact CZ-CG 3.87Å |
| 1350 | T | 66.3 | Low | 78.5 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -66.2 | -26.8 | 175 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | S1348 G1357 | S1348-T1350 PolarHBondContact O-N 3.49Å; S1348-T1350 VanDerWaalsContact O-N 3.15Å; T1350-G1357 WeakPolarHBondContact O-CA 3.27Å |
| 1351 | T | 67.1 | Low | 78.3 | Confident | 112 Ų | 112 | 70 Ų | 70 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -102.6 | 0.1 | 173.6 | 43.4 | 0 | 0 | 0 | 0 | 113 | S1348 F1349 | S1348-T1351 PolarHBondContact O-N 2.87Å; S1348-T1351 VanDerWaalsContact O-N 3.1Å; S1348-T1351 PolarHBondContact O-OG1 2.91Å; F1349-T1351 VanDerWaalsContact C-N 3.27Å; F1349-T1351 PolarHBondContact O-N 3.27Å |
| 1352 | S | 68.5 | Low | 78.1 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.028 | 36% | 0.362 | C | S | . | . | trans | -79.3 | 126.5 | -174.8 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | S1348 F1349 Y1354 F1355 N1356 Q1664 | S1348-S1352 PolarHBondContact O-N 3.41Å; F1349-S1352 WeakPolarHBondContact O-CB 3.28Å; F1349-S1352 PolarHBondContact O-N 3.28Å; S1352-Y1354 VanDerWaalsContact C-N 3.29Å; S1352-Y1354 PolarHBondContact O-N 3.01Å; S1352-Y1354 WeakPolarHBondContact OG-CD2 3.37Å; S1352-F1355 PolarHBondContact O-N 3.46Å; S1352-N1356 PolarHBondContact O-N 3.43Å; S1352-Q1664 VanDerWaalsContact CB-OE1 3.28Å; S1352-Q1664 PolarHBondContact OG-OE1 3.01Å | ||
| 1353 | I | 71.7 | Confident | 77.8 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -64.7 | -37.2 | 179.4 | -46.1 | 175.7 | 0 | 0 | 0 | 110.2 | F1355 N1356 Y1404 H1405 | I1353-F1355 PolarHBondContact O-N 3.3Å; I1353-F1355 VanDerWaalsContact O-N 3.09Å; I1353-N1356 PolarHBondContact O-N 2.99Å; I1353-Y1404 HydrophobicContact CD1-CD1 4.32Å; I1353-Y1404 HydrophobicContact CG2-CD1 3.99Å; I1353-Y1404 HydrophobicContact CG2-CE1 4.31Å; I1353-Y1404 HydrophobicContact CG2-CG 4.26Å; I1353-H1405 VanDerWaalsContact CD1-CE1 3.46Å; I1353-H1405 WeakPolarHBondContact CD1-CE1 3.39Å |
| 1354 | Y | 72.5 | Confident | 77.6 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -60.8 | -21.1 | -179 | -53.9 | -69.5 | 0 | 0 | 0 | 114.2 | S1352 D1401 H1405 Q1665 | S1352-Y1354 VanDerWaalsContact C-N 3.29Å; S1352-Y1354 PolarHBondContact O-N 3.01Å; S1352-Y1354 WeakPolarHBondContact OG-CD2 3.37Å; Y1354-D1401 WeakPolarHBondContact CE1-O 3.49Å; Y1354-D1401 PolarHBondContact OH-O 2.93Å; Y1354-H1405 AromaticContact CE2-CD2 3.62Å; Y1354-H1405 AromaticContact CE2-NE2 3.42Å; Y1354-H1405 WeakPolarHBondContact CE2-NE2 3.43Å; Y1354-H1405 AromaticContact CZ-CD2 3.8Å; Y1354-H1405 AromaticContact CZ-NE2 3.94Å; Y1354-H1405 PolarHBondContact OH-CD2 3.38Å; Y1354-Q1665 HydrophobicContact CD1-CG 4.2Å; Y1354-Q1665 HydrophobicContact CD2-CG 3.96Å; Y1354-Q1665 HydrophobicContact CE1-CG 4.41Å; Y1354-Q1665 HydrophobicContact CE2-CG 4.2Å; Y1354-Q1665 HydrophobicContact CG-CG 3.99Å |
| 1355 | F | 70.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -122 | 4.8 | -174.4 | -53.4 | -61.1 | 0 | 0 | 0 | 114.6 | F1349 S1352 I1353 G1357 K1358 P1360 Y1380 N1382 Q1664 | F1349-F1355 HydrophobicContact CB-CD2 4.37Å; S1352-F1355 PolarHBondContact O-N 3.46Å; I1353-F1355 PolarHBondContact O-N 3.3Å; I1353-F1355 VanDerWaalsContact O-N 3.09Å; F1355-G1357 PolarHBondContact O-N 2.66Å; F1355-K1358 WeakPolarHBondContact CB-O 3.37Å; F1355-K1358 WeakPolarHBondContact O-CB 3.38Å; F1355-K1358 PolarHBondContact O-N 3.02Å; F1355-P1360 HydrophobicContact CD1-CB 3.93Å; F1355-P1360 HydrophobicContact CD2-CB 4.4Å; F1355-P1360 HydrophobicContact CD2-CG 4.3Å; F1355-P1360 HydrophobicContact CE1-CB 3.73Å; F1355-P1360 HydrophobicContact CE2-CB 4.21Å; F1355-P1360 HydrophobicContact CE2-CG 4.12Å; F1355-P1360 HydrophobicContact CG-CB 4.27Å; F1355-P1360 HydrophobicContact CZ-CB 3.88Å; F1355-P1360 HydrophobicContact CZ-CG 4.24Å; F1355-Y1380 HydrophobicContact CZ-CD2 4.15Å; F1355-N1382 HydrophobicContact CD1-CB 4.08Å; F1355-N1382 HydrophobicContact CE1-CB 4.15Å; F1355-Q1664 HydrophobicContact CE2-CB 4.44Å; F1355-Q1664 VanDerWaalsContact CE2-O 3.22Å; F1355-Q1664 WeakPolarHBondContact CE2-O 3.45Å; F1355-Q1664 WeakPolarHBondContact CZ-O 3.42Å |
| 1356 | N | 70.1 | Confident | 76.8 | Confident | 146 Ų | 146 | 67.2 Ų | 67.2 | 78% | 0.781 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 42.6 | -174.6 | -69.4 | -46.8 | 0 | 0 | 0 | 112.4 | S1352 I1353 K1358 | S1352-N1356 PolarHBondContact O-N 3.43Å; I1353-N1356 PolarHBondContact O-N 2.99Å; N1356-K1358 PolarHBondContact O-N 3.43Å |
| 1357 | G | 69.2 | Low | 76.6 | Confident | 33 Ų | 33 | 71.1 Ų | 71.1 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 1.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | F1349 T1350 F1355 | F1349-G1357 WeakPolarHBondContact O-CA 3.4Å; T1350-G1357 WeakPolarHBondContact O-CA 3.27Å; F1355-G1357 PolarHBondContact O-N 2.66Å |
| 1358 | K | 71.4 | Confident | 76.6 | Confident | 153 Ų | 153 | 67.2 Ų | 67.2 | 67% | 0.665 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -84.3 | 152.2 | 175.7 | -62.7 | -177 | 179.8 | 179.4 | 0 | 110.9 | F1355 N1356 | F1355-K1358 WeakPolarHBondContact CB-O 3.37Å; F1355-K1358 WeakPolarHBondContact O-CB 3.38Å; F1355-K1358 PolarHBondContact O-N 3.02Å; N1356-K1358 PolarHBondContact O-N 3.43Å |
| 1359 | R | 75.9 | Confident | 76.4 | Confident | 186 Ų | 186 | 68.4 Ų | 68.4 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 128.1 | 173.6 | -170.2 | 175.3 | -169.5 | 175.5 | 3.8 | 109.6 | F1349 | F1349-R1359 HydrophobicContact CD1-CG 4.44Å; F1349-R1359 HydrophobicContact CD2-CB 3.99Å; F1349-R1359 HydrophobicContact CD2-CG 4.02Å; F1349-R1359 HydrophobicContact CE1-CG 4.21Å; F1349-R1359 HydrophobicContact CE2-CB 3.96Å; F1349-R1359 HydrophobicContact CE2-CG 3.76Å; F1349-R1359 HydrophobicContact CG-CG 4.38Å; F1349-R1359 HydrophobicContact CZ-CG 3.87Å |
| 1360 | P | 81 | Confident | 76.8 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 13% | 0.13 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 141 | 178.8 | 26.8 | -34.6 | 0 | 0 | 0 | 111.7 | F1355 Y1380 | F1355-P1360 HydrophobicContact CD1-CB 3.93Å; F1355-P1360 HydrophobicContact CD2-CB 4.4Å; F1355-P1360 HydrophobicContact CD2-CG 4.3Å; F1355-P1360 HydrophobicContact CE1-CB 3.73Å; F1355-P1360 HydrophobicContact CE2-CB 4.21Å; F1355-P1360 HydrophobicContact CE2-CG 4.12Å; F1355-P1360 HydrophobicContact CG-CB 4.27Å; F1355-P1360 HydrophobicContact CZ-CB 3.88Å; F1355-P1360 HydrophobicContact CZ-CG 4.24Å; P1360-Y1380 HydrophobicContact CB-CD1 3.72Å; P1360-Y1380 HydrophobicContact CB-CD2 4.15Å; P1360-Y1380 HydrophobicContact CB-CE1 4.05Å; P1360-Y1380 HydrophobicContact CB-CE2 4.46Å; P1360-Y1380 HydrophobicContact CB-CG 3.76Å; P1360-Y1380 HydrophobicContact CG-CD1 4.33Å; P1360-Y1380 HydrophobicContact CG-CE1 4.14Å; P1360-Y1380 HydrophobicContact CG-CE2 4.49Å |
| 1361 | T | 86.9 | Confident | 77.8 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | trans | -112.8 | 161.4 | 176.2 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | Y1380 D1381 | T1361-Y1380 CarbonylContact O-C 3.59Å; T1361-Y1380 WeakPolarHBondContact O-CA 3.39Å; T1361-Y1380 WeakPolarHBondContact O-CB 3.3Å; T1361-Y1380 WeakPolarHBondContact O-CD1 3.47Å; T1361-D1381 WeakPolarHBondContact CB-OD2 3.39Å; T1361-D1381 PolarHBondContact O-N 3.47Å; T1361-D1381 PolarHBondContact OG1-OD2 3.26Å | ||
| 1362 | H | 85.7 | Confident | 78.5 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | trans | -136.4 | 34.1 | 175.8 | 44.7 | -121.8 | 0 | 0 | 0 | 110.7 | I1364 A1365 L1366 V1378 P1379 Y1380 D1381 | H1362-I1364 PolarHBondContact O-N 3.15Å; H1362-A1365 PolarHBondContact O-N 3.48Å; H1362-L1366 PolarHBondContact O-N 2.81Å; H1362-L1366 VanDerWaalsContact O-N 3.1Å; H1362-V1378 HydrophobicContact CB-CG2 4.3Å; H1362-P1379 WeakPolarHBondContact CB-O 3.48Å; H1362-Y1380 HydrophobicContact CB-CD1 4.28Å; H1362-Y1380 AromaticContact ND1-CE1 3.9Å; H1362-D1381 WeakPolarHBondContact CA-OD2 3.41Å; H1362-D1381 PolarHBondContact N-OD2 2.82Å | ||
| 1363 | A | 84.4 | Confident | 79.2 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1365 L1366 C1367 D1381 | A1363-A1365 VanDerWaalsContact C-N 3.31Å; A1363-A1365 PolarHBondContact O-N 2.74Å; A1363-L1366 PolarHBondContact O-N 3.35Å; A1363-C1367 PolarHBondContact O-N 2.66Å; A1363-C1367 PolarHBondContact O-SG 2.9Å; A1363-D1381 PolarHBondContact N-OD1 2.97Å; A1363-D1381 VanDerWaalsContact N-OD1 3.14Å; A1363-D1381 PolarHBondContact N-OD2 2.95Å |
| 1364 | I | 85 | Confident | 79.4 | Confident | 57 Ų | 57 | 63 Ų | 63 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | -178.9 | -57.2 | 174.9 | 0 | 0 | 0 | 110.2 | H1362 C1367 C1368 D1381 Y1394 | H1362-I1364 PolarHBondContact O-N 3.15Å; I1364-C1367 PolarHBondContact O-N 2.98Å; I1364-C1368 PolarHBondContact O-N 3.47Å; I1364-C1368 PolarHBondContact O-SG 3.22Å; I1364-D1381 WeakPolarHBondContact CB-OD1 3.39Å; I1364-D1381 HydrophobicContact CD1-CB 4.36Å; I1364-D1381 WeakPolarHBondContact CG1-OD1 3.3Å; I1364-D1381 PolarHBondContact N-OD1 2.91Å; I1364-Y1394 HydrophobicContact CG2-CD2 4.01Å |
| 1365 | A | 80.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1362 A1363 C1367 C1368 N1372 V1378 P1379 Y1394 | H1362-A1365 PolarHBondContact O-N 3.48Å; A1363-A1365 VanDerWaalsContact C-N 3.31Å; A1363-A1365 PolarHBondContact O-N 2.74Å; A1365-C1367 VanDerWaalsContact C-N 3.33Å; A1365-C1368 CarbonylContact O-C 3.55Å; A1365-C1368 PolarHBondContact O-N 3.27Å; A1365-N1372 PolarHBondContact O-ND2 2.95Å; A1365-V1378 HydrophobicContact CB-CB 3.79Å; A1365-V1378 HydrophobicContact CB-CG1 4.05Å; A1365-V1378 HydrophobicContact CB-CG2 4.36Å; A1365-P1379 HydrophobicContact CB-CG 4.35Å; A1365-Y1394 HydrophobicContact CB-CE2 3.79Å; A1365-Y1394 WeakPolarHBondContact CB-OH 3.42Å |
| 1366 | L | 79.9 | Confident | 80.1 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.1 | -29.1 | 174 | -68.8 | 179.1 | 0 | 0 | 0 | 113.1 | H1362 A1363 C1368 P1369 | H1362-L1366 PolarHBondContact O-N 2.81Å; H1362-L1366 VanDerWaalsContact O-N 3.1Å; A1363-L1366 PolarHBondContact O-N 3.35Å; L1366-C1368 VanDerWaalsContact C-N 3.28Å; L1366-C1368 PolarHBondContact O-N 3.11Å; L1366-P1369 WeakPolarHBondContact O-CD 3.44Å |
| 1367 | C | 81.7 | Confident | 80.7 | Confident | 105 Ų | 105 | 64.9 Ų | 64.9 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73 | -16.1 | 171.6 | -69.9 | 0 | 0 | 0 | 0 | 113.8 | A1363 I1364 A1365 P1369 | A1363-C1367 PolarHBondContact O-N 2.66Å; A1363-C1367 PolarHBondContact O-SG 2.9Å; I1364-C1367 PolarHBondContact O-N 2.98Å; A1365-C1367 VanDerWaalsContact C-N 3.33Å; C1367-P1369 VanDerWaalsContact O-CD 3.26Å; C1367-P1369 WeakPolarHBondContact O-CD 3.43Å |
| 1368 | C | 82.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 12% | 0.122 | 33% | 0.332 | C | S | . | . | trans | -115.4 | 47.5 | -179.2 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | I1364 A1365 L1366 S1370 K1371 Y1394 | I1364-C1368 PolarHBondContact O-N 3.47Å; I1364-C1368 PolarHBondContact O-SG 3.22Å; A1365-C1368 CarbonylContact O-C 3.55Å; A1365-C1368 PolarHBondContact O-N 3.27Å; L1366-C1368 VanDerWaalsContact C-N 3.28Å; L1366-C1368 PolarHBondContact O-N 3.11Å; C1368-S1370 PolarHBondContact O-N 2.82Å; C1368-S1370 VanDerWaalsContact O-N 3.16Å; C1368-K1371 PolarHBondContact O-N 3.43Å; C1368-Y1394 HydrophobicContact CB-CD1 3.3Å; C1368-Y1394 HydrophobicContact CB-CE1 3.64Å; C1368-Y1394 HydrophobicContact CB-CG 3.83Å | ||
| 1369 | P | 79.5 | Confident | 82.4 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -64.8 | -27.9 | -171.1 | 30.2 | -35.6 | 0 | 0 | 0 | 112.4 | L1366 C1367 K1371 N1372 | L1366-P1369 WeakPolarHBondContact O-CD 3.44Å; C1367-P1369 VanDerWaalsContact O-CD 3.26Å; C1367-P1369 WeakPolarHBondContact O-CD 3.43Å; P1369-K1371 PolarHBondContact O-N 2.98Å; P1369-N1372 PolarHBondContact O-N 3.43Å; P1369-N1372 VanDerWaalsContact O-N 3.1Å |
| 1370 | S | 82.2 | Confident | 83.1 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -66.3 | -20.2 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | C1368 K1422 | C1368-S1370 PolarHBondContact O-N 2.82Å; C1368-S1370 VanDerWaalsContact O-N 3.16Å; S1370-K1422 WeakPolarHBondContact O-CD 3.33Å; S1370-K1422 WeakPolarHBondContact O-CE 3.4Å; S1370-K1422 PolarHBondContact O-NZ 3.25Å |
| 1371 | K | 87 | Confident | 83.4 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 10% | 0.1 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -93.5 | -2.6 | 172.6 | -76 | -169 | 162.5 | -168.5 | 0 | 113.4 | C1368 P1369 N1392 Y1394 Q1417 T1423 D1426 | C1368-K1371 PolarHBondContact O-N 3.43Å; P1369-K1371 PolarHBondContact O-N 2.98Å; K1371-N1392 WeakPolarHBondContact CE-OD1 3.38Å; K1371-N1392 PolarHBondContact NZ-OD1 3.14Å; K1371-Y1394 HydrophobicContact CB-CD1 3.94Å; K1371-Y1394 HydrophobicContact CB-CE1 3.97Å; K1371-Y1394 HydrophobicContact CD-CD1 3.97Å; K1371-Y1394 WeakPolarHBondContact CD-O 3.07Å; K1371-Y1394 PolarHBondContact NZ-O 3.12Å; K1371-Q1417 PolarHBondContact O-NE2 3.39Å; K1371-T1423 HydrophobicContact CB-CG2 4.22Å; K1371-T1423 HydrophobicContact CG-CG2 4.08Å; K1371-D1426 WeakPolarHBondContact CE-OD2 3.35Å; K1371-D1426 IonicContact NZ-OD1 2.73Å; K1371-D1426 PolarHBondContact NZ-OD1 3.33Å; K1371-D1426 IonicContact NZ-OD2 3.12Å; K1371-D1426 PolarHBondContact NZ-OD2 3Å |
| 1372 | N | 83 | Confident | 83.4 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -102.3 | 126.6 | -179.4 | -61.2 | -27.5 | 0 | 0 | 0 | 111.3 | A1365 P1369 Y1394 | A1365-N1372 PolarHBondContact O-ND2 2.95Å; P1369-N1372 PolarHBondContact O-N 3.43Å; P1369-N1372 VanDerWaalsContact O-N 3.1Å; N1372-Y1394 VanDerWaalsContact OD1-CE1 3.28Å; N1372-Y1394 WeakPolarHBondContact OD1-CE1 3.36Å; N1372-Y1394 PolarHBondContact OD1-OH 3.37Å | ||
| 1373 | R | 81.8 | Confident | 83.6 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -72.3 | -31.3 | 172.5 | -170.8 | -175.9 | -72.4 | -105.2 | 6.5 | 112.1 | A1418 P1419 M1420 | R1373-A1418 PolarHBondContact NE-O 3.04Å; R1373-A1418 PolarHBondContact NH2-O 3.41Å; R1373-P1419 PolarHBondContact NH2-O 3.18Å; R1373-M1420 HydrophobicContact CB-CE 4.28Å; R1373-M1420 HydrophobicContact CB-CG 4.37Å; R1373-M1420 HydrophobicContact CB-SD 3.98Å; R1373-M1420 HydrophobicContact CG-CE 4.41Å |
| 1374 | N | 77.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | trans | -146 | 132.6 | 169.9 | -173 | -24.9 | 0 | 0 | 0 | 108.5 | N1376 Y1377 | N1374-N1376 VanDerWaalsContact C-N 3.3Å; N1374-N1376 PolarHBondContact O-N 3.43Å; N1374-N1376 WeakPolarHBondContact OD1-CB 3.32Å; N1374-N1376 PolarHBondContact OD1-N 2.91Å; N1374-Y1377 HydrophobicContact CB-CD2 3.81Å; N1374-Y1377 HydrophobicContact CB-CE2 4.21Å; N1374-Y1377 HydrophobicContact CB-CG 4.42Å; N1374-Y1377 WeakPolarHBondContact ND2-CE2 3.33Å; N1374-Y1377 PolarHBondContact O-N 3Å | ||
| 1375 | Q | 79.7 | Confident | 84.2 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.4 | -178.5 | -63.7 | -178.2 | 7.9 | 0 | 0 | 113.2 | Y1377 V1378 | Q1375-Y1377 VanDerWaalsContact C-N 3.28Å; Q1375-Y1377 PolarHBondContact O-N 2.88Å; Q1375-V1378 WeakPolarHBondContact O-CG1 3.25Å |
| 1376 | N | 76.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 48 Ų | 48 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.2 | 176.7 | -64.7 | -14.1 | 0 | 0 | 0 | 112.9 | N1374 Y1667 | N1374-N1376 VanDerWaalsContact C-N 3.3Å; N1374-N1376 PolarHBondContact O-N 3.43Å; N1374-N1376 WeakPolarHBondContact OD1-CB 3.32Å; N1374-N1376 PolarHBondContact OD1-N 2.91Å; N1376-Y1667 WeakPolarHBondContact O-CD1 3.3Å; N1376-Y1667 WeakPolarHBondContact O-CE1 3.48Å |
| 1377 | Y | 83.4 | Confident | 85.1 | Confident | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -120.9 | 74.8 | -171.9 | -47.3 | -31.6 | 0 | 0 | 0 | 109.9 | N1374 Q1375 N1396 A1630 E1631 R1666 G1668 N1671 | N1374-Y1377 HydrophobicContact CB-CD2 3.81Å; N1374-Y1377 HydrophobicContact CB-CE2 4.21Å; N1374-Y1377 HydrophobicContact CB-CG 4.42Å; N1374-Y1377 WeakPolarHBondContact ND2-CE2 3.33Å; N1374-Y1377 PolarHBondContact O-N 3Å; Q1375-Y1377 VanDerWaalsContact C-N 3.28Å; Q1375-Y1377 PolarHBondContact O-N 2.88Å; Y1377-N1396 PolarHBondContact O-ND2 2.93Å; Y1377-N1396 PolarHBondContact O-OD1 3.3Å; Y1377-A1630 HydrophobicContact CE2-CB 4.32Å; Y1377-E1631 HydrophobicContact CE1-CG 4.45Å; Y1377-E1631 HydrophobicContact CE2-CG 3.89Å; Y1377-E1631 PolarHBondContact OH-OE1 2.84Å; Y1377-R1666 PolarHBondContact O-NH2 3.02Å; Y1377-G1668 WeakPolarHBondContact CD1-O 3.37Å; Y1377-N1671 WeakPolarHBondContact CE1-ND2 3.06Å |
| 1378 | V | 87.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | trans | -128.2 | 154.6 | -168.2 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | H1362 A1365 Q1375 Y1667 | H1362-V1378 HydrophobicContact CB-CG2 4.3Å; A1365-V1378 HydrophobicContact CB-CB 3.79Å; A1365-V1378 HydrophobicContact CB-CG1 4.05Å; A1365-V1378 HydrophobicContact CB-CG2 4.36Å; Q1375-V1378 WeakPolarHBondContact O-CG1 3.25Å; V1378-Y1667 HydrophobicContact CG2-CD1 3.93Å; V1378-Y1667 PolarHBondContact N-O 3.42Å; V1378-Y1667 PolarHBondContact O-N 2.85Å | ||
| 1379 | P | 89.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 157 | 173.8 | 32.9 | -38.4 | 0 | 0 | 0 | 111.8 | H1362 A1365 R1384 Y1394 N1396 A1397 S1398 | H1362-P1379 WeakPolarHBondContact CB-O 3.48Å; A1365-P1379 HydrophobicContact CB-CG 4.35Å; P1379-R1384 HydrophobicContact CB-CB 3.73Å; P1379-R1384 HydrophobicContact CG-CB 3.85Å; P1379-Y1394 HydrophobicContact CG-CE2 3.89Å; P1379-N1396 WeakPolarHBondContact CD-OD1 3.36Å; P1379-A1397 WeakPolarHBondContact CB-O 3.13Å; P1379-S1398 VanDerWaalsContact CA-OG 3.3Å; P1379-S1398 WeakPolarHBondContact CA-OG 3.39Å; P1379-S1398 VanDerWaalsContact CB-OG 3.26Å; P1379-S1398 WeakPolarHBondContact CB-OG 3.34Å |
| 1380 | Y | 90 | Very high | 84.3 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | trans | -82.2 | 149.6 | 161.1 | -61.3 | -64.4 | 0 | 0 | 0 | 109.9 | F1355 P1360 T1361 H1362 N1382 N1383 R1384 Q1664 Q1665 Y1667 | F1355-Y1380 HydrophobicContact CZ-CD2 4.15Å; P1360-Y1380 HydrophobicContact CB-CD1 3.72Å; P1360-Y1380 HydrophobicContact CB-CD2 4.15Å; P1360-Y1380 HydrophobicContact CB-CE1 4.05Å; P1360-Y1380 HydrophobicContact CB-CE2 4.46Å; P1360-Y1380 HydrophobicContact CB-CG 3.76Å; P1360-Y1380 HydrophobicContact CG-CD1 4.33Å; P1360-Y1380 HydrophobicContact CG-CE1 4.14Å; P1360-Y1380 HydrophobicContact CG-CE2 4.49Å; T1361-Y1380 CarbonylContact O-C 3.59Å; T1361-Y1380 WeakPolarHBondContact O-CA 3.39Å; T1361-Y1380 WeakPolarHBondContact O-CB 3.3Å; T1361-Y1380 WeakPolarHBondContact O-CD1 3.47Å; H1362-Y1380 HydrophobicContact CB-CD1 4.28Å; H1362-Y1380 AromaticContact ND1-CE1 3.9Å; Y1380-N1382 PolarHBondContact O-N 3.45Å; Y1380-N1382 VanDerWaalsContact O-N 3.14Å; Y1380-N1383 PolarHBondContact N-OD1 3.17Å; Y1380-N1383 PolarHBondContact O-N 3.29Å; Y1380-N1383 VanDerWaalsContact O-N 3.16Å; Y1380-N1383 PolarHBondContact O-OD1 2.68Å; Y1380-R1384 PolarHBondContact O-N 3.21Å; Y1380-Q1664 WeakPolarHBondContact CE2-O 3.45Å; Y1380-Q1665 WeakPolarHBondContact CD2-O 3.21Å; Y1380-Y1667 HydrophobicContact CE1-CD2 4.38Å; Y1380-Y1667 HydrophobicContact CE1-CG 4.48Å | ||
| 1381 | D | 88.2 | Confident | 83.9 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.7 | -173.7 | -56.3 | -48.6 | 0 | 0 | 0 | 112.4 | T1361 H1362 A1363 I1364 | T1361-D1381 WeakPolarHBondContact CB-OD2 3.39Å; T1361-D1381 PolarHBondContact O-N 3.47Å; T1361-D1381 PolarHBondContact OG1-OD2 3.26Å; H1362-D1381 WeakPolarHBondContact CA-OD2 3.41Å; H1362-D1381 PolarHBondContact N-OD2 2.82Å; A1363-D1381 PolarHBondContact N-OD1 2.97Å; A1363-D1381 VanDerWaalsContact N-OD1 3.14Å; A1363-D1381 PolarHBondContact N-OD2 2.95Å; I1364-D1381 WeakPolarHBondContact CB-OD1 3.39Å; I1364-D1381 HydrophobicContact CD1-CB 4.36Å; I1364-D1381 WeakPolarHBondContact CG1-OD1 3.3Å; I1364-D1381 PolarHBondContact N-OD1 2.91Å |
| 1382 | N | 87.1 | Confident | 83.6 | Confident | 96 Ų | 96 | 59 Ų | 59 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -30.8 | 179 | -70.5 | 47.7 | 0 | 0 | 0 | 114.3 | F1355 Y1380 | F1355-N1382 HydrophobicContact CD1-CB 4.08Å; F1355-N1382 HydrophobicContact CE1-CB 4.15Å; Y1380-N1382 PolarHBondContact O-N 3.45Å; Y1380-N1382 VanDerWaalsContact O-N 3.14Å |
| 1383 | N | 88.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 11.2 | -175.1 | 78 | -35.3 | 0 | 0 | 0 | 113.5 | Y1380 S1398 Y1399 Q1665 | Y1380-N1383 PolarHBondContact N-OD1 3.17Å; Y1380-N1383 PolarHBondContact O-N 3.29Å; Y1380-N1383 VanDerWaalsContact O-N 3.16Å; Y1380-N1383 PolarHBondContact O-OD1 2.68Å; N1383-S1398 WeakPolarHBondContact O-CA 3.48Å; N1383-Y1399 PolarHBondContact ND2-O 3.15Å; N1383-Y1399 PolarHBondContact O-N 2.74Å; N1383-Q1665 PolarHBondContact ND2-O 2.65Å; N1383-Q1665 PolarHBondContact OD1-O 3.49Å |
| 1384 | R | 91 | Very high | 84.3 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 150.6 | 168.9 | 75.2 | 179 | -176.2 | 112.1 | -6.9 | 110.1 | P1379 Y1380 I1386 D1393 A1397 | P1379-R1384 HydrophobicContact CB-CB 3.73Å; P1379-R1384 HydrophobicContact CG-CB 3.85Å; Y1380-R1384 PolarHBondContact O-N 3.21Å; R1384-I1386 HydrophobicContact CG-CG1 4.05Å; R1384-D1393 IonicContact CZ-OD1 2.66Å; R1384-D1393 IonicContact CZ-OD2 2.94Å; R1384-D1393 IonicContact NH1-OD1 3.94Å; R1384-D1393 PolarHBondContact NH1-OD1 3.5Å; R1384-D1393 IonicContact NH1-OD2 3.49Å; R1384-D1393 PolarHBondContact NH1-OD2 2.95Å; R1384-D1393 IonicContact NH2-OD1 2.65Å; R1384-D1393 PolarHBondContact NH2-OD1 3.17Å; R1384-D1393 IonicContact NH2-OD2 3.51Å; R1384-D1393 PolarHBondContact NH2-OD2 3.34Å; R1384-A1397 WeakPolarHBondContact CA-O 3.2Å |
| 1385 | V | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 139.1 | 164.7 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | L1387 I1395 A1397 Y1399 I1414 M1430 Q1434 | V1385-L1387 HydrophobicContact CG1-CD2 3.93Å; V1385-I1395 HydrophobicContact CB-CG2 3.82Å; V1385-I1395 HydrophobicContact CG1-CG2 3.94Å; V1385-A1397 HydrophobicContact CB-CB 4.17Å; V1385-A1397 HydrophobicContact CG2-CB 3.64Å; V1385-A1397 PolarHBondContact N-O 2.87Å; V1385-Y1399 HydrophobicContact CB-CE2 4.49Å; V1385-Y1399 HydrophobicContact CG2-CD2 4.31Å; V1385-Y1399 HydrophobicContact CG2-CE2 4.04Å; V1385-I1414 HydrophobicContact CG2-CD1 3.64Å; V1385-I1414 HydrophobicContact CG2-CG1 4.33Å; V1385-I1414 HydrophobicContact CG2-CG2 4.47Å; V1385-M1430 HydrophobicContact CB-SD 4.48Å; V1385-M1430 HydrophobicContact CG1-CG 3.95Å; V1385-M1430 HydrophobicContact CG1-SD 4.22Å; V1385-M1430 HydrophobicContact CG2-SD 4.07Å; V1385-Q1434 HydrophobicContact CG1-CG 3.89Å |
| 1386 | I | 90.8 | Very high | 85.5 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 113.7 | 178.9 | -55 | -177.3 | 0 | 0 | 0 | 108.4 | R1384 D1393 Q1434 | R1384-I1386 HydrophobicContact CG-CG1 4.05Å; I1386-D1393 HydrophobicContact CG2-CB 3.94Å; I1386-Q1434 PolarHBondContact O-NE2 2.87Å |
| 1387 | L | 88.9 | Confident | 86.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -82.3 | 128.9 | -179.7 | -52.7 | -176.5 | 0 | 0 | 0 | 110.7 | V1385 L1390 D1393 I1395 D1426 T1429 M1430 E1433 | V1385-L1387 HydrophobicContact CG1-CD2 3.93Å; L1387-L1390 HydrophobicContact CD1-CD1 3.94Å; L1387-D1393 PolarHBondContact N-O 3.34Å; L1387-D1393 WeakPolarHBondContact O-CB 3.48Å; L1387-I1395 HydrophobicContact CD1-CB 4.18Å; L1387-I1395 HydrophobicContact CD1-CG2 4.18Å; L1387-I1395 HydrophobicContact CD2-CG2 4.06Å; L1387-I1395 HydrophobicContact CG-CG2 4.12Å; L1387-D1426 HydrophobicContact CD1-CB 3.81Å; L1387-T1429 HydrophobicContact CD2-CG2 4.43Å; L1387-M1430 HydrophobicContact CD2-CB 3.86Å; L1387-E1433 VanDerWaalsContact CA-OE2 3.3Å; L1387-E1433 WeakPolarHBondContact CA-OE2 2.98Å | ||
| 1388 | K | 84 | Confident | 86.5 | Confident | 160 Ų | 160 | 45 Ų | 45 | 70% | 0.696 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -94 | -34.8 | -169.2 | -64.9 | 168.2 | -176.3 | 160.6 | 0 | 113.1 | E1433 | K1388-E1433 PolarHBondContact N-OE1 3.25Å; K1388-E1433 PolarHBondContact N-OE2 3.3Å |
| 1389 | S | 71.9 | Confident | 86.6 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -90.6 | -7.9 | -174.7 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | T1429 E1433 | S1389-T1429 WeakPolarHBondContact OG-CG2 3.3Å; S1389-E1433 WeakPolarHBondContact CB-OE1 3.29Å; S1389-E1433 PolarHBondContact N-OE1 2.95Å; S1389-E1433 PolarHBondContact OG-OE1 3.38Å |
| 1390 | L | 72.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 48.9 Ų | 48.9 | 29% | 0.293 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -106.9 | 148.3 | -176.9 | -68.6 | 175.1 | 0 | 0 | 0 | 112.5 | L1387 N1392 I1425 T1429 | L1387-L1390 HydrophobicContact CD1-CD1 3.94Å; L1390-N1392 PolarHBondContact O-N 3.03Å; L1390-N1392 VanDerWaalsContact O-N 3.12Å; L1390-I1425 HydrophobicContact CD1-CG2 4.4Å; L1390-I1425 HydrophobicContact CD2-CG2 4.35Å; L1390-T1429 HydrophobicContact CD1-CG2 3.97Å; L1390-T1429 HydrophobicContact CG-CG2 4.18Å |
| 1391 | K | 73.2 | Confident | 86.5 | Confident | 227 Ų | 227 | 49.4 Ų | 49.4 | 99% | 0.987 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -70.3 | -4.5 | -179.3 | -155.5 | 178.3 | -177.5 | -178.6 | 0 | 114.1 | ||
| 1392 | N | 80.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -135.2 | 115.7 | 172.1 | 173.6 | -65.7 | 0 | 0 | 0 | 106 | K1371 L1390 Y1394 | K1371-N1392 WeakPolarHBondContact CE-OD1 3.38Å; K1371-N1392 PolarHBondContact NZ-OD1 3.14Å; L1390-N1392 PolarHBondContact O-N 3.03Å; L1390-N1392 VanDerWaalsContact O-N 3.12Å; N1392-Y1394 VanDerWaalsContact C-N 3.28Å; N1392-Y1394 PolarHBondContact O-N 3.45Å; N1392-Y1394 PolarHBondContact OD1-N 3.07Å; N1392-Y1394 PolarHBondContact OD1-O 2.93Å |
| 1393 | D | 88.6 | Confident | 86.1 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | trans | -82 | -3.1 | -169 | 74.9 | -3.5 | 0 | 0 | 0 | 114.1 | R1384 I1386 L1387 | R1384-D1393 IonicContact CZ-OD1 2.66Å; R1384-D1393 IonicContact CZ-OD2 2.94Å; R1384-D1393 IonicContact NH1-OD1 3.94Å; R1384-D1393 PolarHBondContact NH1-OD1 3.5Å; R1384-D1393 IonicContact NH1-OD2 3.49Å; R1384-D1393 PolarHBondContact NH1-OD2 2.95Å; R1384-D1393 IonicContact NH2-OD1 2.65Å; R1384-D1393 PolarHBondContact NH2-OD1 3.17Å; R1384-D1393 IonicContact NH2-OD2 3.51Å; R1384-D1393 PolarHBondContact NH2-OD2 3.34Å; I1386-D1393 HydrophobicContact CG2-CB 3.94Å; L1387-D1393 PolarHBondContact N-O 3.34Å; L1387-D1393 WeakPolarHBondContact O-CB 3.48Å | ||
| 1394 | Y | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.8 | -169.3 | 178.3 | -95 | 0 | 0 | 0 | 112.5 | I1364 A1365 C1368 K1371 N1372 P1379 N1392 N1396 | I1364-Y1394 HydrophobicContact CG2-CD2 4.01Å; A1365-Y1394 HydrophobicContact CB-CE2 3.79Å; A1365-Y1394 WeakPolarHBondContact CB-OH 3.42Å; C1368-Y1394 HydrophobicContact CB-CD1 3.3Å; C1368-Y1394 HydrophobicContact CB-CE1 3.64Å; C1368-Y1394 HydrophobicContact CB-CG 3.83Å; K1371-Y1394 HydrophobicContact CB-CD1 3.94Å; K1371-Y1394 HydrophobicContact CB-CE1 3.97Å; K1371-Y1394 HydrophobicContact CD-CD1 3.97Å; K1371-Y1394 WeakPolarHBondContact CD-O 3.07Å; K1371-Y1394 PolarHBondContact NZ-O 3.12Å; N1372-Y1394 VanDerWaalsContact OD1-CE1 3.28Å; N1372-Y1394 WeakPolarHBondContact OD1-CE1 3.36Å; N1372-Y1394 PolarHBondContact OD1-OH 3.37Å; P1379-Y1394 HydrophobicContact CG-CE2 3.89Å; N1392-Y1394 VanDerWaalsContact C-N 3.28Å; N1392-Y1394 PolarHBondContact O-N 3.45Å; N1392-Y1394 PolarHBondContact OD1-N 3.07Å; N1392-Y1394 PolarHBondContact OD1-O 2.93Å; Y1394-N1396 HydrophobicContact CE1-CB 4.42Å |
| 1395 | I | 90.6 | Very high | 84.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.8 | 160.4 | -179 | 168.8 | 0 | 0 | 0 | 108 | V1385 L1387 A1397 D1426 F1427 M1430 | V1385-I1395 HydrophobicContact CB-CG2 3.82Å; V1385-I1395 HydrophobicContact CG1-CG2 3.94Å; L1387-I1395 HydrophobicContact CD1-CB 4.18Å; L1387-I1395 HydrophobicContact CD1-CG2 4.18Å; L1387-I1395 HydrophobicContact CD2-CG2 4.06Å; L1387-I1395 HydrophobicContact CG-CG2 4.12Å; I1395-A1397 HydrophobicContact CG1-CB 4.47Å; I1395-A1397 HydrophobicContact CG2-CB 4.12Å; I1395-A1397 PolarHBondContact O-N 3.08Å; I1395-D1426 HydrophobicContact CB-CB 4.38Å; I1395-D1426 HydrophobicContact CD1-CB 4.03Å; I1395-D1426 HydrophobicContact CG1-CB 4.39Å; I1395-F1427 HydrophobicContact CD1-CB 4.14Å; I1395-F1427 HydrophobicContact CD1-CD2 4.49Å; I1395-M1430 HydrophobicContact CD1-CB 4.35Å; I1395-M1430 HydrophobicContact CD1-CE 4.36Å; I1395-M1430 HydrophobicContact CD1-SD 4.16Å; I1395-M1430 HydrophobicContact CG2-SD 4.35Å |
| 1396 | N | 90.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 75 | 173.7 | -173.3 | 0.7 | 0 | 0 | 0 | 111 | Y1377 P1379 Y1394 Q1417 R1666 | Y1377-N1396 PolarHBondContact O-ND2 2.93Å; Y1377-N1396 PolarHBondContact O-OD1 3.3Å; P1379-N1396 WeakPolarHBondContact CD-OD1 3.36Å; Y1394-N1396 HydrophobicContact CE1-CB 4.42Å; N1396-Q1417 HydrophobicContact CB-CB 4.48Å; N1396-Q1417 HydrophobicContact CB-CG 4Å; N1396-Q1417 PolarHBondContact ND2-OE1 2.87Å; N1396-Q1417 PolarHBondContact O-N 3.24Å; N1396-Q1417 VanDerWaalsContact O-N 3.16Å; N1396-R1666 PolarHBondContact OD1-NH2 3.46Å |
| 1397 | A | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 146.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1379 R1384 V1385 I1395 I1414 I1415 A1416 M1430 | P1379-A1397 WeakPolarHBondContact CB-O 3.13Å; R1384-A1397 WeakPolarHBondContact CA-O 3.2Å; V1385-A1397 HydrophobicContact CB-CB 4.17Å; V1385-A1397 HydrophobicContact CG2-CB 3.64Å; V1385-A1397 PolarHBondContact N-O 2.87Å; I1395-A1397 HydrophobicContact CG1-CB 4.47Å; I1395-A1397 HydrophobicContact CG2-CB 4.12Å; I1395-A1397 PolarHBondContact O-N 3.08Å; A1397-I1414 HydrophobicContact CB-CG2 3.94Å; A1397-I1415 CarbonylContact C-O 3.54Å; A1397-I1415 WeakPolarHBondContact CA-O 3.31Å; A1397-A1416 HydrophobicContact CB-CB 3.83Å; A1397-M1430 HydrophobicContact CB-SD 3.62Å |
| 1398 | S | 90.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.9 | 179.5 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | P1379 N1383 I1414 I1415 R1666 | P1379-S1398 VanDerWaalsContact CA-OG 3.3Å; P1379-S1398 WeakPolarHBondContact CA-OG 3.39Å; P1379-S1398 VanDerWaalsContact CB-OG 3.26Å; P1379-S1398 WeakPolarHBondContact CB-OG 3.34Å; N1383-S1398 WeakPolarHBondContact O-CA 3.48Å; S1398-I1414 VanDerWaalsContact O-CA 3.27Å; S1398-I1414 WeakPolarHBondContact O-CA 3.31Å; S1398-I1415 PolarHBondContact N-O 3.32Å; S1398-I1415 PolarHBondContact O-N 3.12Å; S1398-R1666 PolarHBondContact OG-NH1 3.02Å |
| 1399 | Y | 90.1 | Very high | 82.4 | Confident | 80 Ų | 80 | 44.4 Ų | 44.4 | 31% | 0.314 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.1 | 156.7 | -70.3 | -77 | 0 | 0 | 0 | 110.3 | N1383 V1385 I1414 Q1434 | N1383-Y1399 PolarHBondContact ND2-O 3.15Å; N1383-Y1399 PolarHBondContact O-N 2.74Å; V1385-Y1399 HydrophobicContact CB-CE2 4.49Å; V1385-Y1399 HydrophobicContact CG2-CD2 4.31Å; V1385-Y1399 HydrophobicContact CG2-CE2 4.04Å; Y1399-I1414 HydrophobicContact CD1-CD1 4.25Å; Y1399-I1414 HydrophobicContact CD1-CG1 3.91Å; Y1399-I1414 HydrophobicContact CE1-CD1 3.89Å; Y1399-I1414 HydrophobicContact CE1-CG1 4.06Å; Y1399-Q1434 PolarHBondContact OH-OE1 3.46Å |
| 1400 | I | 89.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.5 | 173.6 | -52.1 | -63.7 | 0 | 0 | 0 | 107.5 | F1402 Y1413 I1415 L1662 Q1665 R1666 | I1400-F1402 HydrophobicContact CG2-CD2 4.18Å; I1400-F1402 HydrophobicContact CG2-CE2 3.5Å; I1400-F1402 VanDerWaalsContact CG2-CE2 3.5Å; I1400-F1402 HydrophobicContact CG2-CZ 4.07Å; I1400-Y1413 PolarHBondContact N-O 3.5Å; I1400-Y1413 PolarHBondContact O-N 3.36Å; I1400-I1415 HydrophobicContact CG1-CG1 4.41Å; I1400-L1662 HydrophobicContact CD1-CD1 4.18Å; I1400-L1662 HydrophobicContact CG1-CD1 4.27Å; I1400-L1662 HydrophobicContact CG2-CD1 3.6Å; I1400-Q1665 HydrophobicContact CD1-CB 3.76Å; I1400-R1666 HydrophobicContact CD1-CB 4.04Å |
| 1401 | D | 87 | Confident | 83.2 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | trans | -130.3 | 140.1 | 177.8 | -173.3 | 9.8 | 0 | 0 | 0 | 109.7 | R1189 Y1354 Q1403 Q1665 | R1189-D1401 IonicContact NH2-OD1 3.87Å; Y1354-D1401 WeakPolarHBondContact CE1-O 3.49Å; Y1354-D1401 PolarHBondContact OH-O 2.93Å; D1401-Q1403 WeakPolarHBondContact OD1-CB 3.16Å; D1401-Q1403 PolarHBondContact OD1-N 3.42Å; D1401-Q1665 PolarHBondContact O-NE2 2.99Å; D1401-Q1665 PolarHBondContact O-OE1 3.02Å | ||
| 1402 | F | 87.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -114.5 | 2 | 176.9 | -68.4 | -92 | 0 | 0 | 0 | 112.5 | I1400 Y1404 H1405 L1406 C1410 I1637 V1641 I1658 L1662 | I1400-F1402 HydrophobicContact CG2-CD2 4.18Å; I1400-F1402 HydrophobicContact CG2-CE2 3.5Å; I1400-F1402 VanDerWaalsContact CG2-CE2 3.5Å; I1400-F1402 HydrophobicContact CG2-CZ 4.07Å; F1402-Y1404 VanDerWaalsContact C-N 3.28Å; F1402-Y1404 PolarHBondContact O-N 2.63Å; F1402-Y1404 VanDerWaalsContact O-N 3.15Å; F1402-H1405 PolarHBondContact O-N 3.02Å; F1402-L1406 HydrophobicContact CB-CB 4.32Å; F1402-L1406 HydrophobicContact CB-CD1 3.94Å; F1402-L1406 HydrophobicContact CB-CG 4.2Å; F1402-L1406 HydrophobicContact CD1-CD1 3.83Å; F1402-L1406 HydrophobicContact CD1-CG 4.46Å; F1402-L1406 HydrophobicContact CG-CD1 4.12Å; F1402-L1406 PolarHBondContact O-N 3.14Å; F1402-C1410 HydrophobicContact CB-CB 4Å; F1402-I1637 HydrophobicContact CE2-CG2 3.85Å; F1402-I1637 HydrophobicContact CZ-CG2 4.21Å; F1402-V1641 HydrophobicContact CD1-CG1 4.49Å; F1402-V1641 HydrophobicContact CD2-CG1 4.48Å; F1402-V1641 HydrophobicContact CD2-CG2 3.91Å; F1402-V1641 HydrophobicContact CE2-CG2 3.75Å; F1402-V1641 HydrophobicContact CG-CG1 4.4Å; F1402-V1641 HydrophobicContact CZ-CG2 4.32Å; F1402-I1658 HydrophobicContact CE1-CG2 4.14Å; F1402-I1658 HydrophobicContact CZ-CG2 4.41Å; F1402-L1662 HydrophobicContact CZ-CB 4.11Å; F1402-L1662 HydrophobicContact CZ-CD1 4.13Å | ||
| 1403 | Q | 80.1 | Confident | 84.1 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 22% | 0.224 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -49.4 | -44.7 | -174.4 | -177.6 | 168.5 | -4.7 | 0 | 0 | 113.4 | F1262 D1401 H1405 G1407 D1408 | F1262-Q1403 WeakPolarHBondContact CZ-O 3.34Å; D1401-Q1403 WeakPolarHBondContact OD1-CB 3.16Å; D1401-Q1403 PolarHBondContact OD1-N 3.42Å; Q1403-H1405 VanDerWaalsContact C-N 3.25Å; Q1403-H1405 PolarHBondContact O-N 3.42Å; Q1403-G1407 VanDerWaalsContact O-CA 3.29Å; Q1403-G1407 WeakPolarHBondContact O-CA 3.38Å; Q1403-G1407 PolarHBondContact O-N 3.42Å; Q1403-G1407 VanDerWaalsContact O-N 3.14Å; Q1403-D1408 HydrophobicContact CG-CB 4.48Å; Q1403-D1408 VanDerWaalsContact CG-OD1 3.22Å; Q1403-D1408 WeakPolarHBondContact CG-OD1 3.2Å; Q1403-D1408 PolarHBondContact NE2-OD1 3.27Å; Q1403-D1408 PolarHBondContact NE2-OD2 2.99Å |
| 1404 | Y | 76.5 | Confident | 84.2 | Confident | 148 Ų | 148 | 22.6 Ų | 22.6 | 58% | 0.58 | 10% | 0.097 | S | C | * | . | H | α-helix | trans | -71.8 | -9.5 | -178.8 | -80.8 | -85.4 | 0 | 0 | 0 | 115.6 | I1353 F1402 | I1353-Y1404 HydrophobicContact CD1-CD1 4.32Å; I1353-Y1404 HydrophobicContact CG2-CD1 3.99Å; I1353-Y1404 HydrophobicContact CG2-CE1 4.31Å; I1353-Y1404 HydrophobicContact CG2-CG 4.26Å; F1402-Y1404 VanDerWaalsContact C-N 3.28Å; F1402-Y1404 PolarHBondContact O-N 2.63Å; F1402-Y1404 VanDerWaalsContact O-N 3.15Å |
| 1405 | H | 77.4 | Confident | 84.1 | Confident | 47 Ų | 47 | 22.8 Ų | 22.8 | 22% | 0.218 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -123.1 | -33.8 | -176.5 | -69.7 | -23.8 | 0 | 0 | 0 | 113.8 | I1353 Y1354 F1402 Q1403 Y1661 | I1353-H1405 VanDerWaalsContact CD1-CE1 3.46Å; I1353-H1405 WeakPolarHBondContact CD1-CE1 3.39Å; Y1354-H1405 AromaticContact CE2-CD2 3.62Å; Y1354-H1405 AromaticContact CE2-NE2 3.42Å; Y1354-H1405 WeakPolarHBondContact CE2-NE2 3.43Å; Y1354-H1405 AromaticContact CZ-CD2 3.8Å; Y1354-H1405 AromaticContact CZ-NE2 3.94Å; Y1354-H1405 PolarHBondContact OH-CD2 3.38Å; F1402-H1405 PolarHBondContact O-N 3.02Å; Q1403-H1405 VanDerWaalsContact C-N 3.25Å; Q1403-H1405 PolarHBondContact O-N 3.42Å; H1405-Y1661 HydrophobicContact CB-CD2 3.97Å; H1405-Y1661 HydrophobicContact CB-CE2 3.64Å; H1405-Y1661 AromaticContact CD2-CD1 3.29Å; H1405-Y1661 WeakPolarHBondContact CD2-CD1 3.32Å; H1405-Y1661 AromaticContact CD2-CD2 3.58Å; H1405-Y1661 AromaticContact CD2-CE1 3.27Å; H1405-Y1661 WeakPolarHBondContact CD2-CE1 3.39Å; H1405-Y1661 AromaticContact CD2-CE2 3.54Å; H1405-Y1661 AromaticContact CD2-CG 3.46Å; H1405-Y1661 VanDerWaalsContact CD2-CG 3.46Å; H1405-Y1661 AromaticContact CD2-CZ 3.39Å; H1405-Y1661 AromaticContact CG-CE2 3.69Å; H1405-Y1661 AromaticContact CG-CZ 3.69Å; H1405-Y1661 AromaticContact NE2-CD1 3.57Å; H1405-Y1661 AromaticContact NE2-CE1 3.35Å; H1405-Y1661 VanDerWaalsContact NE2-CE1 3.35Å; H1405-Y1661 WeakPolarHBondContact NE2-CE1 3.38Å; H1405-Y1661 AromaticContact NE2-CZ 3.8Å |
| 1406 | L | 76.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.063 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -115.7 | -26.3 | -176.8 | -55.7 | -178 | 0 | 0 | 0 | 112.4 | F1402 W1409 V1641 I1658 | F1402-L1406 HydrophobicContact CB-CB 4.32Å; F1402-L1406 HydrophobicContact CB-CD1 3.94Å; F1402-L1406 HydrophobicContact CB-CG 4.2Å; F1402-L1406 HydrophobicContact CD1-CD1 3.83Å; F1402-L1406 HydrophobicContact CD1-CG 4.46Å; F1402-L1406 HydrophobicContact CG-CD1 4.12Å; F1402-L1406 PolarHBondContact O-N 3.14Å; L1406-W1409 HydrophobicContact CB-CH2 4.2Å; L1406-W1409 HydrophobicContact CB-CZ2 3.76Å; L1406-W1409 WeakPolarHBondContact O-CZ2 3.25Å; L1406-W1409 PolarHBondContact O-NE1 3.37Å; L1406-V1641 HydrophobicContact CD1-CG1 3.36Å; L1406-I1658 HydrophobicContact CD1-CG1 4.29Å |
| 1407 | G | 75.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | 117.8 | 166.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1403 W1409 C1410 | Q1403-G1407 VanDerWaalsContact O-CA 3.29Å; Q1403-G1407 WeakPolarHBondContact O-CA 3.38Å; Q1403-G1407 PolarHBondContact O-N 3.42Å; Q1403-G1407 VanDerWaalsContact O-N 3.14Å; G1407-W1409 PolarHBondContact O-N 2.91Å; G1407-C1410 WeakPolarHBondContact O-CB 3.42Å; G1407-C1410 PolarHBondContact O-N 3.07Å; G1407-C1410 VanDerWaalsContact O-N 3.09Å | ||
| 1408 | D | 75.4 | Confident | 82.8 | Confident | 33 Ų | 33 | 23.8 Ų | 23.8 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.4 | -172.7 | -67.1 | 32.3 | 0 | 0 | 0 | 115.2 | R1189 R1192 Q1403 C1410 | R1189-D1408 WeakPolarHBondContact CG-O 3.37Å; R1189-D1408 PolarHBondContact NE-O 2.86Å; R1192-D1408 IonicContact CZ-OD2 3.22Å; R1192-D1408 IonicContact NH1-OD2 2.71Å; R1192-D1408 PolarHBondContact NH1-OD2 3.2Å; R1192-D1408 IonicContact NH2-OD2 3.46Å; R1192-D1408 PolarHBondContact NH2-OD2 3.25Å; Q1403-D1408 HydrophobicContact CG-CB 4.48Å; Q1403-D1408 VanDerWaalsContact CG-OD1 3.22Å; Q1403-D1408 WeakPolarHBondContact CG-OD1 3.2Å; Q1403-D1408 PolarHBondContact NE2-OD1 3.27Å; Q1403-D1408 PolarHBondContact NE2-OD2 2.99Å; D1408-C1410 VanDerWaalsContact C-N 3.27Å; D1408-C1410 PolarHBondContact O-N 2.81Å |
| 1409 | W | 75.7 | Confident | 82.4 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 8% | 0.08 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -19.4 | 175.3 | 57.7 | -94.3 | 0 | 0 | 0 | 113.2 | L1193 L1406 G1407 L1644 H1645 I1648 L1649 | L1193-W1409 HydrophobicContact CD2-CB 4.39Å; L1406-W1409 HydrophobicContact CB-CH2 4.2Å; L1406-W1409 HydrophobicContact CB-CZ2 3.76Å; L1406-W1409 WeakPolarHBondContact O-CZ2 3.25Å; L1406-W1409 PolarHBondContact O-NE1 3.37Å; G1407-W1409 PolarHBondContact O-N 2.91Å; W1409-L1644 HydrophobicContact CE3-CB 4.29Å; W1409-L1644 HydrophobicContact CZ3-CB 3.74Å; W1409-H1645 HydrophobicContact CH2-CB 3.63Å; W1409-H1645 AromaticContact CH2-CD2 3.66Å; W1409-H1645 AromaticContact CH2-CG 3.86Å; W1409-H1645 HydrophobicContact CZ2-CB 4.3Å; W1409-H1645 AromaticContact CZ2-CD2 3.57Å; W1409-H1645 HydrophobicContact CZ3-CB 4.41Å; W1409-I1648 HydrophobicContact CB-CD1 4.48Å; W1409-I1648 HydrophobicContact CB-CG2 4.15Å; W1409-I1648 HydrophobicContact CD2-CG2 4.38Å; W1409-I1648 HydrophobicContact CE3-CD1 3.89Å; W1409-I1648 HydrophobicContact CG-CG2 4.14Å; W1409-L1649 HydrophobicContact CZ2-CD1 3.62Å; W1409-L1649 HydrophobicContact CZ2-CG 4.18Å |
| 1410 | C | 79.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -65.5 | 131.5 | 175.4 | -95.6 | 0 | 0 | 0 | 0 | 110.9 | R1189 F1402 G1407 D1408 | R1189-C1410 PolarHBondContact NE-O 2.75Å; R1189-C1410 PolarHBondContact NH2-O 2.99Å; F1402-C1410 HydrophobicContact CB-CB 4Å; G1407-C1410 WeakPolarHBondContact O-CB 3.42Å; G1407-C1410 PolarHBondContact O-N 3.07Å; G1407-C1410 VanDerWaalsContact O-N 3.09Å; D1408-C1410 VanDerWaalsContact C-N 3.27Å; D1408-C1410 PolarHBondContact O-N 2.81Å |
| 1411 | P | 81.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -61.1 | 148.4 | 171.9 | -17.8 | 28.1 | 0 | 0 | 0 | 111.6 | Y1413 E1437 I1438 Y1612 L1644 | P1411-Y1413 HydrophobicContact CB-CD2 4.3Å; P1411-Y1413 HydrophobicContact CB-CE2 3.84Å; P1411-Y1413 HydrophobicContact CG-CE2 4.11Å; P1411-Y1413 WeakPolarHBondContact O-CD2 3.42Å; P1411-Y1413 VanDerWaalsContact O-CE2 3.27Å; P1411-Y1413 WeakPolarHBondContact O-CE2 3.5Å; P1411-E1437 WeakPolarHBondContact CA-OE2 3.25Å; P1411-I1438 HydrophobicContact CB-CD1 3.95Å; P1411-I1438 HydrophobicContact CB-CG1 4.38Å; P1411-I1438 HydrophobicContact CG-CD1 4.12Å; P1411-Y1612 HydrophobicContact CB-CD2 4.44Å; P1411-Y1612 HydrophobicContact CB-CE1 4.4Å; P1411-Y1612 HydrophobicContact CB-CE2 3.83Å; P1411-Y1612 HydrophobicContact CG-CD1 4.25Å; P1411-Y1612 HydrophobicContact CG-CE1 3.78Å; P1411-Y1612 HydrophobicContact CG-CE2 4.09Å; P1411-L1644 HydrophobicContact CG-CD1 3.6Å | ||
| 1412 | R | 85.2 | Confident | 81.3 | Confident | 41 Ų | 41 | 28.6 Ų | 28.6 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | trans | -87.7 | 110.3 | 168.5 | -68.8 | 176.8 | -65.3 | 175.5 | 4 | 109.2 | A1186 E1437 I1438 | A1186-R1412 VanDerWaalsContact CB-NH2 3.33Å; R1412-E1437 IonicContact CZ-OE1 3.28Å; R1412-E1437 PolarHBondContact N-OE2 3.04Å; R1412-E1437 IonicContact NE-OE1 2.64Å; R1412-E1437 PolarHBondContact NE-OE1 2.68Å; R1412-E1437 IonicContact NH2-OE1 3.58Å; R1412-E1437 PolarHBondContact NH2-OE1 2.74Å; R1412-E1437 PolarHBondContact O-N 3.08Å; R1412-I1438 PolarHBondContact O-N 3.49Å | ||
| 1413 | Y | 88.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 151 | -176.6 | -57.9 | -102.4 | 0 | 0 | 0 | 111.4 | I1400 P1411 I1438 V1440 I1637 S1640 V1641 | I1400-Y1413 PolarHBondContact N-O 3.5Å; I1400-Y1413 PolarHBondContact O-N 3.36Å; P1411-Y1413 HydrophobicContact CB-CD2 4.3Å; P1411-Y1413 HydrophobicContact CB-CE2 3.84Å; P1411-Y1413 HydrophobicContact CG-CE2 4.11Å; P1411-Y1413 WeakPolarHBondContact O-CD2 3.42Å; P1411-Y1413 VanDerWaalsContact O-CE2 3.27Å; P1411-Y1413 WeakPolarHBondContact O-CE2 3.5Å; Y1413-I1438 CarbonylContact C-O 3.27Å; Y1413-I1438 VanDerWaalsContact CA-O 3.25Å; Y1413-I1438 WeakPolarHBondContact CA-O 3.39Å; Y1413-I1438 HydrophobicContact CD1-CB 3.74Å; Y1413-I1438 HydrophobicContact CD1-CD1 4.33Å; Y1413-I1438 HydrophobicContact CD1-CG2 3.88Å; Y1413-I1438 HydrophobicContact CE1-CB 4.14Å; Y1413-I1438 HydrophobicContact CE1-CD1 3.84Å; Y1413-I1438 HydrophobicContact CE1-CG2 4.15Å; Y1413-V1440 HydrophobicContact CD1-CG2 4.22Å; Y1413-I1637 HydrophobicContact CD1-CD1 3.64Å; Y1413-I1637 HydrophobicContact CD1-CG1 3.96Å; Y1413-I1637 HydrophobicContact CD2-CD1 4.38Å; Y1413-I1637 HydrophobicContact CE1-CD1 4.36Å; Y1413-I1637 HydrophobicContact CE1-CG1 4.22Å; Y1413-I1637 HydrophobicContact CE2-CG2 4.5Å; Y1413-I1637 HydrophobicContact CG-CD1 3.65Å; Y1413-I1637 HydrophobicContact CG-CG1 4.38Å; Y1413-S1640 PolarHBondContact OH-OG 3.02Å; Y1413-V1641 HydrophobicContact CE2-CG2 3.72Å |
| 1414 | I | 89.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.3 | 150.6 | -75.3 | -176.6 | 0 | 0 | 0 | 108.9 | V1385 A1397 S1398 Y1399 A1416 M1430 C1436 I1438 V1439 V1440 | V1385-I1414 HydrophobicContact CG2-CD1 3.64Å; V1385-I1414 HydrophobicContact CG2-CG1 4.33Å; V1385-I1414 HydrophobicContact CG2-CG2 4.47Å; A1397-I1414 HydrophobicContact CB-CG2 3.94Å; S1398-I1414 VanDerWaalsContact O-CA 3.27Å; S1398-I1414 WeakPolarHBondContact O-CA 3.31Å; Y1399-I1414 HydrophobicContact CD1-CD1 4.25Å; Y1399-I1414 HydrophobicContact CD1-CG1 3.91Å; Y1399-I1414 HydrophobicContact CE1-CD1 3.89Å; Y1399-I1414 HydrophobicContact CE1-CG1 4.06Å; I1414-A1416 HydrophobicContact CG2-CB 4.21Å; I1414-M1430 HydrophobicContact CD1-CG 4.28Å; I1414-M1430 HydrophobicContact CD1-SD 4.09Å; I1414-M1430 HydrophobicContact CG2-CE 4.36Å; I1414-M1430 HydrophobicContact CG2-SD 4Å; I1414-C1436 HydrophobicContact CD1-CB 4.22Å; I1414-C1436 WeakPolarHBondContact CD1-SG 3.34Å; I1414-C1436 HydrophobicContact CG1-CB 4.33Å; I1414-I1438 PolarHBondContact N-O 3.33Å; I1414-V1439 HydrophobicContact CB-CG1 4.24Å; I1414-V1439 HydrophobicContact CB-CG2 4.37Å; I1414-V1439 HydrophobicContact CG2-CG1 4.08Å; I1414-V1439 CarbonylContact O-C 3.6Å; I1414-V1439 WeakPolarHBondContact O-CA 3.28Å; I1414-V1440 PolarHBondContact O-N 3.09Å |
| 1415 | I | 89 | Confident | 82.2 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.6 | 156.1 | -78.5 | -179.1 | 0 | 0 | 0 | 108.3 | A1397 S1398 I1400 V1440 I1637 L1662 V1669 | A1397-I1415 CarbonylContact C-O 3.54Å; A1397-I1415 WeakPolarHBondContact CA-O 3.31Å; S1398-I1415 PolarHBondContact N-O 3.32Å; S1398-I1415 PolarHBondContact O-N 3.12Å; I1400-I1415 HydrophobicContact CG1-CG1 4.41Å; I1415-V1440 HydrophobicContact CG1-CB 4.45Å; I1415-I1637 HydrophobicContact CD1-CD1 3.69Å; I1415-I1637 HydrophobicContact CD1-CG1 4.28Å; I1415-I1637 HydrophobicContact CG1-CD1 3.48Å; I1415-I1637 VanDerWaalsContact CG1-CD1 3.48Å; I1415-I1637 HydrophobicContact CG1-CG1 4.37Å; I1415-L1662 HydrophobicContact CD1-CD1 4.48Å; I1415-V1669 HydrophobicContact CD1-CG2 3.51Å |
| 1416 | A | 86.9 | Confident | 82.8 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 154.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1397 I1414 F1427 M1430 V1440 | A1397-A1416 HydrophobicContact CB-CB 3.83Å; I1414-A1416 HydrophobicContact CG2-CB 4.21Å; A1416-F1427 HydrophobicContact CB-CE2 4.28Å; A1416-M1430 HydrophobicContact CB-CE 3.92Å; A1416-V1440 PolarHBondContact N-O 3.44Å |
| 1417 | Q | 82.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 20.3 Ų | 20.3 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 151 | 166.2 | 76.5 | -179.2 | 14.3 | 0 | 0 | 110.8 | K1371 N1396 | K1371-Q1417 PolarHBondContact O-NE2 3.39Å; N1396-Q1417 HydrophobicContact CB-CB 4.48Å; N1396-Q1417 HydrophobicContact CB-CG 4Å; N1396-Q1417 PolarHBondContact ND2-OE1 2.87Å; N1396-Q1417 PolarHBondContact O-N 3.24Å; N1396-Q1417 VanDerWaalsContact O-N 3.16Å |
| 1418 | A | 76.3 | Confident | 84 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 130.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1373 M1420 L1442 I1443 | R1373-A1418 PolarHBondContact NE-O 3.04Å; R1373-A1418 PolarHBondContact NH2-O 3.41Å; A1418-M1420 PolarHBondContact O-N 3.17Å; A1418-L1442 VanDerWaalsContact CB-O 3.25Å; A1418-L1442 WeakPolarHBondContact CB-O 3.01Å; A1418-I1443 HydrophobicContact CB-CB 4.07Å; A1418-I1443 HydrophobicContact CB-CG1 3.61Å; A1418-I1443 HydrophobicContact CB-CG2 4.48Å |
| 1419 | P | 80.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.013 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 129.7 | -177.6 | -29.8 | 35.2 | 0 | 0 | 0 | 112.9 | R1373 I1424 F1427 Y1488 | R1373-P1419 PolarHBondContact NH2-O 3.18Å; P1419-I1424 HydrophobicContact CB-CG1 4.2Å; P1419-F1427 HydrophobicContact CG-CB 4.06Å; P1419-F1427 HydrophobicContact CG-CD1 3.81Å; P1419-F1427 HydrophobicContact CG-CD2 3.94Å; P1419-F1427 HydrophobicContact CG-CE1 4.22Å; P1419-F1427 HydrophobicContact CG-CE2 4.35Å; P1419-F1427 HydrophobicContact CG-CG 3.65Å; P1419-F1427 HydrophobicContact CG-CZ 4.48Å; P1419-Y1488 HydrophobicContact CB-CD1 4.25Å; P1419-Y1488 HydrophobicContact CB-CG 4.19Å; P1419-Y1488 HydrophobicContact CG-CD1 4.11Å; P1419-Y1488 HydrophobicContact CG-CD2 4.17Å; P1419-Y1488 HydrophobicContact CG-CE1 4.49Å; P1419-Y1488 HydrophobicContact CG-CG 3.97Å |
| 1420 | M | 80.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 18.1 Ų | 18.1 | 3% | 0.034 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 156.2 | 165.3 | -52.4 | -179.8 | 84.9 | 0 | 0 | 107.7 | R1373 A1418 K1422 T1423 I1424 E1471 | R1373-M1420 HydrophobicContact CB-CE 4.28Å; R1373-M1420 HydrophobicContact CB-CG 4.37Å; R1373-M1420 HydrophobicContact CB-SD 3.98Å; R1373-M1420 HydrophobicContact CG-CE 4.41Å; A1418-M1420 PolarHBondContact O-N 3.17Å; M1420-K1422 HydrophobicContact CB-CG 4.04Å; M1420-K1422 VanDerWaalsContact CE-CE 3.49Å; M1420-K1422 PolarHBondContact O-N 3.13Å; M1420-K1422 VanDerWaalsContact O-N 3.1Å; M1420-T1423 HydrophobicContact CB-CG2 4.36Å; M1420-T1423 PolarHBondContact N-OG1 2.69Å; M1420-T1423 VanDerWaalsContact N-OG1 3.09Å; M1420-T1423 CarbonylContact O-C 3.2Å; M1420-T1423 WeakPolarHBondContact O-CA 3.29Å; M1420-T1423 PolarHBondContact O-N 3.06Å; M1420-T1423 PolarHBondContact O-OG1 3.28Å; M1420-I1424 VanDerWaalsContact O-CG1 3.32Å; M1420-I1424 WeakPolarHBondContact O-CG1 3.41Å; M1420-I1424 PolarHBondContact O-N 2.68Å; M1420-I1424 VanDerWaalsContact O-N 3.1Å; M1420-E1471 WeakPolarHBondContact CE-O 3.4Å |
| 1421 | I | 78.7 | Confident | 85.5 | Confident | 118 Ų | 118 | 18.3 Ų | 18.3 | 61% | 0.605 | 9% | 0.088 | S | C | * | . | G | 310 helix | trans | -43.7 | -49.2 | 176.1 | -64.7 | 161.9 | 0 | 0 | 0 | 111.4 | T1423 F1474 | I1421-T1423 VanDerWaalsContact C-N 3.28Å; I1421-T1423 PolarHBondContact O-N 2.78Å; I1421-F1474 HydrophobicContact CB-CE1 4.49Å; I1421-F1474 HydrophobicContact CD1-CD1 4.44Å; I1421-F1474 HydrophobicContact CD1-CE1 4.18Å; I1421-F1474 HydrophobicContact CG1-CD1 4.04Å; I1421-F1474 HydrophobicContact CG1-CE1 3.32Å; I1421-F1474 HydrophobicContact CG1-CZ 3.67Å |
| 1422 | K | 84 | Confident | 85.6 | Confident | 92 Ų | 92 | 19.4 Ų | 19.4 | 40% | 0.4 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -72.3 | -3.8 | 179.1 | 59.3 | -169.7 | 169 | 174.5 | 0 | 116.3 | S1370 M1420 E1471 | S1370-K1422 WeakPolarHBondContact O-CD 3.33Å; S1370-K1422 WeakPolarHBondContact O-CE 3.4Å; S1370-K1422 PolarHBondContact O-NZ 3.25Å; M1420-K1422 HydrophobicContact CB-CG 4.04Å; M1420-K1422 VanDerWaalsContact CE-CE 3.49Å; M1420-K1422 PolarHBondContact O-N 3.13Å; M1420-K1422 VanDerWaalsContact O-N 3.1Å; K1422-E1471 WeakPolarHBondContact CE-OE2 3.49Å; K1422-E1471 IonicContact NZ-OE2 2.71Å; K1422-E1471 PolarHBondContact NZ-OE2 3.31Å |
| 1423 | T | 87.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -129.8 | 12.8 | 178.5 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | K1371 M1420 I1421 I1425 D1426 F1427 | K1371-T1423 HydrophobicContact CB-CG2 4.22Å; K1371-T1423 HydrophobicContact CG-CG2 4.08Å; M1420-T1423 HydrophobicContact CB-CG2 4.36Å; M1420-T1423 PolarHBondContact N-OG1 2.69Å; M1420-T1423 VanDerWaalsContact N-OG1 3.09Å; M1420-T1423 CarbonylContact O-C 3.2Å; M1420-T1423 WeakPolarHBondContact O-CA 3.29Å; M1420-T1423 PolarHBondContact O-N 3.06Å; M1420-T1423 PolarHBondContact O-OG1 3.28Å; I1421-T1423 VanDerWaalsContact C-N 3.28Å; I1421-T1423 PolarHBondContact O-N 2.78Å; T1423-I1425 VanDerWaalsContact C-N 3.33Å; T1423-D1426 WeakPolarHBondContact CA-OD2 3.37Å; T1423-D1426 WeakPolarHBondContact CB-OD2 3.34Å; T1423-D1426 PolarHBondContact O-N 3.29Å; T1423-F1427 WeakPolarHBondContact O-CB 3.36Å; T1423-F1427 PolarHBondContact O-N 3.32Å |
| 1424 | I | 88.2 | Confident | 85 | Confident | 16 Ų | 16 | 19.9 Ų | 19.9 | 8% | 0.082 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.4 | -60.3 | -178.8 | 0 | 0 | 0 | 110.2 | P1419 M1420 F1427 W1428 F1474 L1500 | P1419-I1424 HydrophobicContact CB-CG1 4.2Å; M1420-I1424 VanDerWaalsContact O-CG1 3.32Å; M1420-I1424 WeakPolarHBondContact O-CG1 3.41Å; M1420-I1424 PolarHBondContact O-N 2.68Å; M1420-I1424 VanDerWaalsContact O-N 3.1Å; I1424-F1427 PolarHBondContact O-N 3.25Å; I1424-W1428 VanDerWaalsContact O-CD1 3.27Å; I1424-W1428 PolarHBondContact O-N 2.79Å; I1424-F1474 HydrophobicContact CD1-CE1 4.37Å; I1424-F1474 HydrophobicContact CD1-CZ 4.24Å; I1424-L1500 HydrophobicContact CG2-CD1 4.07Å; I1424-L1500 HydrophobicContact CG2-CD2 3.45Å; I1424-L1500 VanDerWaalsContact CG2-CD2 3.45Å; I1424-L1500 HydrophobicContact CG2-CG 4.41Å |
| 1425 | I | 89 | Confident | 84 | Confident | 48 Ų | 48 | 21.9 Ų | 21.9 | 25% | 0.246 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -50.6 | 176 | -57.7 | 166.3 | 0 | 0 | 0 | 110 | L1390 T1423 F1427 W1428 T1429 L1500 L1505 | L1390-I1425 HydrophobicContact CD1-CG2 4.4Å; L1390-I1425 HydrophobicContact CD2-CG2 4.35Å; T1423-I1425 VanDerWaalsContact C-N 3.33Å; I1425-F1427 PolarHBondContact O-N 3.24Å; I1425-W1428 PolarHBondContact O-N 3Å; I1425-T1429 WeakPolarHBondContact O-CB 3.15Å; I1425-T1429 PolarHBondContact O-N 3.03Å; I1425-T1429 PolarHBondContact O-OG1 3.4Å; I1425-T1429 VanDerWaalsContact O-OG1 3.05Å; I1425-L1500 HydrophobicContact CG1-CB 4.42Å; I1425-L1500 HydrophobicContact CG1-CD1 4.47Å; I1425-L1505 HydrophobicContact CG2-CD1 4.45Å |
| 1426 | D | 88.9 | Confident | 82.9 | Confident | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.4 | -42.7 | 178 | -58.2 | -49.6 | 0 | 0 | 0 | 112 | K1371 L1387 I1395 T1423 M1430 | K1371-D1426 WeakPolarHBondContact CE-OD2 3.35Å; K1371-D1426 IonicContact NZ-OD1 2.73Å; K1371-D1426 PolarHBondContact NZ-OD1 3.33Å; K1371-D1426 IonicContact NZ-OD2 3.12Å; K1371-D1426 PolarHBondContact NZ-OD2 3Å; L1387-D1426 HydrophobicContact CD1-CB 3.81Å; I1395-D1426 HydrophobicContact CB-CB 4.38Å; I1395-D1426 HydrophobicContact CD1-CB 4.03Å; I1395-D1426 HydrophobicContact CG1-CB 4.39Å; T1423-D1426 WeakPolarHBondContact CA-OD2 3.37Å; T1423-D1426 WeakPolarHBondContact CB-OD2 3.34Å; T1423-D1426 PolarHBondContact O-N 3.29Å; D1426-M1430 PolarHBondContact O-N 2.71Å |
| 1427 | F | 88.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.6 | -47.6 | -178.8 | 179.7 | -94.4 | 0 | 0 | 0 | 112.1 | I1395 A1416 P1419 T1423 I1424 I1425 T1429 M1430 I1431 T1441 V1623 | I1395-F1427 HydrophobicContact CD1-CB 4.14Å; I1395-F1427 HydrophobicContact CD1-CD2 4.49Å; A1416-F1427 HydrophobicContact CB-CE2 4.28Å; P1419-F1427 HydrophobicContact CG-CB 4.06Å; P1419-F1427 HydrophobicContact CG-CD1 3.81Å; P1419-F1427 HydrophobicContact CG-CD2 3.94Å; P1419-F1427 HydrophobicContact CG-CE1 4.22Å; P1419-F1427 HydrophobicContact CG-CE2 4.35Å; P1419-F1427 HydrophobicContact CG-CG 3.65Å; P1419-F1427 HydrophobicContact CG-CZ 4.48Å; T1423-F1427 WeakPolarHBondContact O-CB 3.36Å; T1423-F1427 PolarHBondContact O-N 3.32Å; I1424-F1427 PolarHBondContact O-N 3.25Å; I1425-F1427 PolarHBondContact O-N 3.24Å; F1427-T1429 VanDerWaalsContact C-N 3.32Å; F1427-T1429 PolarHBondContact O-N 3.43Å; F1427-M1430 HydrophobicContact CD2-CE 3.59Å; F1427-M1430 HydrophobicContact CE2-CE 3.63Å; F1427-M1430 HydrophobicContact CG-CE 4.46Å; F1427-M1430 WeakPolarHBondContact O-CB 3.29Å; F1427-M1430 PolarHBondContact O-N 2.9Å; F1427-I1431 HydrophobicContact CD1-CG1 4.29Å; F1427-I1431 HydrophobicContact CE1-CD1 4.47Å; F1427-I1431 HydrophobicContact CE1-CG1 3.94Å; F1427-I1431 HydrophobicContact CZ-CD1 4.3Å; F1427-I1431 HydrophobicContact CZ-CG1 4.21Å; F1427-I1431 WeakPolarHBondContact O-CG1 3.36Å; F1427-I1431 PolarHBondContact O-N 2.98Å; F1427-T1441 HydrophobicContact CE2-CG2 3.61Å; F1427-T1441 WeakPolarHBondContact CE2-OG1 3.46Å; F1427-T1441 HydrophobicContact CZ-CG2 3.93Å; F1427-V1623 HydrophobicContact CZ-CG1 4.09Å |
| 1428 | W | 88.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.9 | -26.4 | 178.4 | -69.9 | 115.5 | 0 | 0 | 0 | 112.7 | I1424 I1425 I1431 L1432 Y1488 L1489 L1500 L1505 I1507 I1555 V1557 L1568 | I1424-W1428 VanDerWaalsContact O-CD1 3.27Å; I1424-W1428 PolarHBondContact O-N 2.79Å; I1425-W1428 PolarHBondContact O-N 3Å; W1428-I1431 HydrophobicContact CE3-CB 3.98Å; W1428-I1431 HydrophobicContact CE3-CG1 3.93Å; W1428-I1431 HydrophobicContact CE3-CG2 3.88Å; W1428-I1431 HydrophobicContact CZ3-CG1 4.25Å; W1428-I1431 HydrophobicContact CZ3-CG2 4.08Å; W1428-I1431 PolarHBondContact O-N 3.04Å; W1428-L1432 WeakPolarHBondContact O-CB 3.35Å; W1428-L1432 PolarHBondContact O-N 3.45Å; W1428-Y1488 AromaticContact CZ2-CD2 3.81Å; W1428-Y1488 HydrophobicContact CZ2-CD2 3.81Å; W1428-Y1488 HydrophobicContact CZ2-CE2 4.29Å; W1428-Y1488 WeakPolarHBondContact CZ2-O 3.3Å; W1428-Y1488 PolarHBondContact NE1-O 3.19Å; W1428-L1489 HydrophobicContact CH2-CD2 4.16Å; W1428-L1489 HydrophobicContact CZ2-CD2 3.91Å; W1428-L1500 HydrophobicContact CB-CD1 3.95Å; W1428-L1500 HydrophobicContact CG-CD1 4.09Å; W1428-L1505 HydrophobicContact CB-CD1 3.98Å; W1428-I1507 HydrophobicContact CD2-CD1 4.09Å; W1428-I1507 HydrophobicContact CD2-CG1 4.11Å; W1428-I1507 HydrophobicContact CG-CD1 3.98Å; W1428-I1507 HydrophobicContact CG-CG1 4.2Å; W1428-I1507 HydrophobicContact CH2-CG2 4.3Å; W1428-I1507 HydrophobicContact CZ2-CD1 4.22Å; W1428-I1507 HydrophobicContact CZ2-CG1 4.47Å; W1428-I1507 HydrophobicContact CZ2-CG2 4.11Å; W1428-I1507 VanDerWaalsContact NE1-CD1 3.25Å; W1428-I1555 HydrophobicContact CH2-CD1 4.42Å; W1428-I1555 HydrophobicContact CH2-CG2 4.4Å; W1428-V1557 HydrophobicContact CD2-CG2 4.37Å; W1428-V1557 HydrophobicContact CE3-CG2 3.53Å; W1428-V1557 HydrophobicContact CZ3-CG2 3.73Å; W1428-L1568 HydrophobicContact CZ3-CD2 3.81Å |
| 1429 | T | 87.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 20.9 Ų | 20.9 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 165.7 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | L1387 S1389 L1390 I1425 F1427 I1431 L1432 E1433 | L1387-T1429 HydrophobicContact CD2-CG2 4.43Å; S1389-T1429 WeakPolarHBondContact OG-CG2 3.3Å; L1390-T1429 HydrophobicContact CD1-CG2 3.97Å; L1390-T1429 HydrophobicContact CG-CG2 4.18Å; I1425-T1429 WeakPolarHBondContact O-CB 3.15Å; I1425-T1429 PolarHBondContact O-N 3.03Å; I1425-T1429 PolarHBondContact O-OG1 3.4Å; I1425-T1429 VanDerWaalsContact O-OG1 3.05Å; F1427-T1429 VanDerWaalsContact C-N 3.32Å; F1427-T1429 PolarHBondContact O-N 3.43Å; T1429-I1431 VanDerWaalsContact C-N 3.33Å; T1429-I1431 PolarHBondContact O-N 3.29Å; T1429-L1432 PolarHBondContact O-N 2.81Å; T1429-L1432 VanDerWaalsContact O-N 3.14Å; T1429-E1433 HydrophobicContact CG2-CG 3.98Å; T1429-E1433 WeakPolarHBondContact CG2-OE1 3.39Å; T1429-E1433 WeakPolarHBondContact O-CB 3.22Å; T1429-E1433 WeakPolarHBondContact O-CG 3.36Å; T1429-E1433 PolarHBondContact O-N 3.29Å |
| 1430 | M | 87.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.3 | -48.2 | 172.9 | 171.4 | -178.9 | 76.7 | 0 | 0 | 111.5 | V1385 L1387 I1395 A1397 I1414 A1416 D1426 F1427 L1432 E1433 Q1434 V1439 | V1385-M1430 HydrophobicContact CB-SD 4.48Å; V1385-M1430 HydrophobicContact CG1-CG 3.95Å; V1385-M1430 HydrophobicContact CG1-SD 4.22Å; V1385-M1430 HydrophobicContact CG2-SD 4.07Å; L1387-M1430 HydrophobicContact CD2-CB 3.86Å; I1395-M1430 HydrophobicContact CD1-CB 4.35Å; I1395-M1430 HydrophobicContact CD1-CE 4.36Å; I1395-M1430 HydrophobicContact CD1-SD 4.16Å; I1395-M1430 HydrophobicContact CG2-SD 4.35Å; A1397-M1430 HydrophobicContact CB-SD 3.62Å; I1414-M1430 HydrophobicContact CD1-CG 4.28Å; I1414-M1430 HydrophobicContact CD1-SD 4.09Å; I1414-M1430 HydrophobicContact CG2-CE 4.36Å; I1414-M1430 HydrophobicContact CG2-SD 4Å; A1416-M1430 HydrophobicContact CB-CE 3.92Å; D1426-M1430 PolarHBondContact O-N 2.71Å; F1427-M1430 HydrophobicContact CD2-CE 3.59Å; F1427-M1430 HydrophobicContact CE2-CE 3.63Å; F1427-M1430 HydrophobicContact CG-CE 4.46Å; F1427-M1430 WeakPolarHBondContact O-CB 3.29Å; F1427-M1430 PolarHBondContact O-N 2.9Å; M1430-L1432 VanDerWaalsContact C-N 3.26Å; M1430-L1432 PolarHBondContact O-N 3.28Å; M1430-E1433 PolarHBondContact O-N 3.39Å; M1430-Q1434 HydrophobicContact CG-CG 4.12Å; M1430-Q1434 WeakPolarHBondContact O-CB 3.46Å; M1430-Q1434 VanDerWaalsContact O-CG 3.24Å; M1430-Q1434 WeakPolarHBondContact O-CG 3.22Å; M1430-Q1434 PolarHBondContact O-N 3.38Å; M1430-Q1434 VanDerWaalsContact O-N 3.12Å; M1430-V1439 HydrophobicContact CE-CG1 3.91Å |
| 1431 | I | 86 | Confident | 82 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 177.9 | -71.1 | -62.6 | 0 | 0 | 0 | 112 | F1427 W1428 T1429 V1439 V1557 R1566 L1568 V1623 | F1427-I1431 HydrophobicContact CD1-CG1 4.29Å; F1427-I1431 HydrophobicContact CE1-CD1 4.47Å; F1427-I1431 HydrophobicContact CE1-CG1 3.94Å; F1427-I1431 HydrophobicContact CZ-CD1 4.3Å; F1427-I1431 HydrophobicContact CZ-CG1 4.21Å; F1427-I1431 WeakPolarHBondContact O-CG1 3.36Å; F1427-I1431 PolarHBondContact O-N 2.98Å; W1428-I1431 HydrophobicContact CE3-CB 3.98Å; W1428-I1431 HydrophobicContact CE3-CG1 3.93Å; W1428-I1431 HydrophobicContact CE3-CG2 3.88Å; W1428-I1431 HydrophobicContact CZ3-CG1 4.25Å; W1428-I1431 HydrophobicContact CZ3-CG2 4.08Å; W1428-I1431 PolarHBondContact O-N 3.04Å; T1429-I1431 VanDerWaalsContact C-N 3.33Å; T1429-I1431 PolarHBondContact O-N 3.29Å; I1431-V1439 HydrophobicContact CD1-CB 4.26Å; I1431-V1439 HydrophobicContact CD1-CG1 4.09Å; I1431-V1439 HydrophobicContact CD1-CG2 4.02Å; I1431-V1557 HydrophobicContact CG2-CG2 4.24Å; I1431-R1566 WeakPolarHBondContact O-CD 3.08Å; I1431-R1566 PolarHBondContact O-NH1 3.15Å; I1431-L1568 HydrophobicContact CG2-CD2 3.34Å; I1431-V1623 HydrophobicContact CD1-CG2 3.54Å |
| 1432 | L | 83.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 15.2 Ų | 15.2 | 12% | 0.12 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -76.9 | -40.6 | 179.9 | -159.4 | 88.8 | 0 | 0 | 0 | 112.9 | W1428 T1429 M1430 L1505 V1557 D1559 T1564 R1566 | W1428-L1432 WeakPolarHBondContact O-CB 3.35Å; W1428-L1432 PolarHBondContact O-N 3.45Å; T1429-L1432 PolarHBondContact O-N 2.81Å; T1429-L1432 VanDerWaalsContact O-N 3.14Å; M1430-L1432 VanDerWaalsContact C-N 3.26Å; M1430-L1432 PolarHBondContact O-N 3.28Å; L1432-L1505 HydrophobicContact CD2-CD2 4.17Å; L1432-V1557 HydrophobicContact CD1-CB 4.11Å; L1432-V1557 HydrophobicContact CD1-CG1 3.98Å; L1432-D1559 HydrophobicContact CD2-CB 3.77Å; L1432-T1564 HydrophobicContact CD2-CG2 4.33Å; L1432-T1564 HydrophobicContact CG-CG2 4.24Å; L1432-R1566 HydrophobicContact CD1-CB 4.3Å |
| 1433 | E | 83.1 | Confident | 80.1 | Confident | 41 Ų | 41 | 12.4 Ų | 12.4 | 19% | 0.192 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -85.2 | -29.5 | -170.6 | -73.3 | -175.8 | 170.5 | 0 | 0 | 115.3 | L1387 K1388 S1389 T1429 M1430 | L1387-E1433 VanDerWaalsContact CA-OE2 3.3Å; L1387-E1433 WeakPolarHBondContact CA-OE2 2.98Å; K1388-E1433 PolarHBondContact N-OE1 3.25Å; K1388-E1433 PolarHBondContact N-OE2 3.3Å; S1389-E1433 WeakPolarHBondContact CB-OE1 3.29Å; S1389-E1433 PolarHBondContact N-OE1 2.95Å; S1389-E1433 PolarHBondContact OG-OE1 3.38Å; T1429-E1433 HydrophobicContact CG2-CG 3.98Å; T1429-E1433 WeakPolarHBondContact CG2-OE1 3.39Å; T1429-E1433 WeakPolarHBondContact O-CB 3.22Å; T1429-E1433 WeakPolarHBondContact O-CG 3.36Å; T1429-E1433 PolarHBondContact O-N 3.29Å; M1430-E1433 PolarHBondContact O-N 3.39Å |
| 1434 | Q | 78.9 | Confident | 78.1 | Confident | 12 Ų | 12 | 14.9 Ų | 14.9 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -109.1 | 127.8 | -161 | -48.5 | -59.7 | -14.6 | 0 | 0 | 111.3 | V1385 I1386 Y1399 M1430 C1436 R1566 | V1385-Q1434 HydrophobicContact CG1-CG 3.89Å; I1386-Q1434 PolarHBondContact O-NE2 2.87Å; Y1399-Q1434 PolarHBondContact OH-OE1 3.46Å; M1430-Q1434 HydrophobicContact CG-CG 4.12Å; M1430-Q1434 WeakPolarHBondContact O-CB 3.46Å; M1430-Q1434 VanDerWaalsContact O-CG 3.24Å; M1430-Q1434 WeakPolarHBondContact O-CG 3.22Å; M1430-Q1434 PolarHBondContact O-N 3.38Å; M1430-Q1434 VanDerWaalsContact O-N 3.12Å; Q1434-C1436 VanDerWaalsContact C-SG 3.56Å; Q1434-C1436 VanDerWaalsContact CB-SG 3.55Å; Q1434-C1436 PolarHBondContact O-N 3.47Å; Q1434-C1436 VanDerWaalsContact O-N 3.14Å; Q1434-C1436 PolarHBondContact O-SG 3.16Å; Q1434-R1566 PolarHBondContact O-NH1 3.31Å |
| 1435 | N | 68.1 | Low | 75.9 | Confident | 42 Ų | 42 | 17.1 Ų | 17.1 | 23% | 0.225 | 10% | 0.097 | C | C | . | . | trans | -80.2 | 94.6 | -180 | -80.3 | -14.6 | 0 | 0 | 0 | 111.2 | D1183 R1566 | D1183-N1435 PolarHBondContact OD1-ND2 2.8Å; N1435-R1566 PolarHBondContact OD1-NH2 3.45Å | ||
| 1436 | C | 66.4 | Low | 73.5 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.034 | 11% | 0.111 | C | C | . | . | trans | -132.5 | 137.7 | -170.8 | -49.1 | 0 | 0 | 0 | 0 | 109.3 | I1414 Q1434 V1439 P1621 | I1414-C1436 HydrophobicContact CD1-CB 4.22Å; I1414-C1436 WeakPolarHBondContact CD1-SG 3.34Å; I1414-C1436 HydrophobicContact CG1-CB 4.33Å; Q1434-C1436 VanDerWaalsContact C-SG 3.56Å; Q1434-C1436 VanDerWaalsContact CB-SG 3.55Å; Q1434-C1436 PolarHBondContact O-N 3.47Å; Q1434-C1436 VanDerWaalsContact O-N 3.14Å; Q1434-C1436 PolarHBondContact O-SG 3.16Å; C1436-V1439 HydrophobicContact CB-CG2 4.03Å; C1436-P1621 WeakPolarHBondContact O-CA 3.43Å; C1436-P1621 WeakPolarHBondContact O-CB 3.35Å | ||
| 1437 | E | 77.4 | Confident | 71 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -85.4 | -42.7 | -177.3 | -73 | 139.5 | -141 | 0 | 0 | 111.4 | P1411 R1412 Y1612 L1618 I1622 | P1411-E1437 WeakPolarHBondContact CA-OE2 3.25Å; R1412-E1437 IonicContact CZ-OE1 3.28Å; R1412-E1437 PolarHBondContact N-OE2 3.04Å; R1412-E1437 IonicContact NE-OE1 2.64Å; R1412-E1437 PolarHBondContact NE-OE1 2.68Å; R1412-E1437 IonicContact NH2-OE1 3.58Å; R1412-E1437 PolarHBondContact NH2-OE1 2.74Å; R1412-E1437 PolarHBondContact O-N 3.08Å; E1437-Y1612 HydrophobicContact CB-CD2 4.24Å; E1437-Y1612 HydrophobicContact CB-CE2 3.79Å; E1437-Y1612 HydrophobicContact CG-CE2 3.99Å; E1437-Y1612 PolarHBondContact OE2-OH 2.67Å; E1437-L1618 HydrophobicContact CG-CB 4.04Å; E1437-L1618 HydrophobicContact CG-CD2 4.48Å; E1437-I1622 PolarHBondContact O-N 3.07Å |
| 1438 | I | 83.5 | Confident | 68.1 | Low | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.7 | 179.5 | -53.6 | -179.6 | 0 | 0 | 0 | 110 | P1411 R1412 Y1413 I1414 V1440 V1608 Y1612 I1622 V1624 | P1411-I1438 HydrophobicContact CB-CD1 3.95Å; P1411-I1438 HydrophobicContact CB-CG1 4.38Å; P1411-I1438 HydrophobicContact CG-CD1 4.12Å; R1412-I1438 PolarHBondContact O-N 3.49Å; Y1413-I1438 CarbonylContact C-O 3.27Å; Y1413-I1438 VanDerWaalsContact CA-O 3.25Å; Y1413-I1438 WeakPolarHBondContact CA-O 3.39Å; Y1413-I1438 HydrophobicContact CD1-CB 3.74Å; Y1413-I1438 HydrophobicContact CD1-CD1 4.33Å; Y1413-I1438 HydrophobicContact CD1-CG2 3.88Å; Y1413-I1438 HydrophobicContact CE1-CB 4.14Å; Y1413-I1438 HydrophobicContact CE1-CD1 3.84Å; Y1413-I1438 HydrophobicContact CE1-CG2 4.15Å; I1414-I1438 PolarHBondContact N-O 3.33Å; I1438-V1440 HydrophobicContact CG2-CG2 3.99Å; I1438-V1608 HydrophobicContact CD1-CG1 4.28Å; I1438-Y1612 HydrophobicContact CD1-CD2 4.31Å; I1438-Y1612 HydrophobicContact CD1-CG 4.48Å; I1438-Y1612 HydrophobicContact CG1-CD2 4.36Å; I1438-I1622 CarbonylContact C-O 3.6Å; I1438-I1622 WeakPolarHBondContact CA-O 3.12Å; I1438-I1622 HydrophobicContact CG1-CB 4.47Å; I1438-V1624 HydrophobicContact CG2-CG2 3.82Å |
| 1439 | V | 80.5 | Confident | 65 | Low | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 103.4 | -180 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | I1414 M1430 I1431 C1436 P1621 I1622 V1623 V1624 | I1414-V1439 HydrophobicContact CB-CG1 4.24Å; I1414-V1439 HydrophobicContact CB-CG2 4.37Å; I1414-V1439 HydrophobicContact CG2-CG1 4.08Å; I1414-V1439 CarbonylContact O-C 3.6Å; I1414-V1439 WeakPolarHBondContact O-CA 3.28Å; M1430-V1439 HydrophobicContact CE-CG1 3.91Å; I1431-V1439 HydrophobicContact CD1-CB 4.26Å; I1431-V1439 HydrophobicContact CD1-CG1 4.09Å; I1431-V1439 HydrophobicContact CD1-CG2 4.02Å; C1436-V1439 HydrophobicContact CB-CG2 4.03Å; V1439-P1621 HydrophobicContact CG2-CB 4.19Å; V1439-I1622 PolarHBondContact N-O 2.78Å; V1439-V1623 HydrophobicContact CB-CG2 4.36Å; V1439-V1623 CarbonylContact O-C 3.42Å; V1439-V1623 WeakPolarHBondContact O-CA 3.49Å; V1439-V1624 PolarHBondContact O-N 2.94Å |
| 1440 | V | 78.9 | Confident | 62.1 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.1 | -173.5 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | Y1413 I1414 I1415 A1416 I1438 L1442 V1624 F1636 I1637 | Y1413-V1440 HydrophobicContact CD1-CG2 4.22Å; I1414-V1440 PolarHBondContact O-N 3.09Å; I1415-V1440 HydrophobicContact CG1-CB 4.45Å; A1416-V1440 PolarHBondContact N-O 3.44Å; I1438-V1440 HydrophobicContact CG2-CG2 3.99Å; V1440-L1442 HydrophobicContact CG1-CD1 4.17Å; V1440-L1442 HydrophobicContact CG1-CD2 3.84Å; V1440-V1624 HydrophobicContact CG2-CB 4.45Å; V1440-F1636 HydrophobicContact CG1-CB 4.46Å; V1440-F1636 HydrophobicContact CG1-CD1 3.92Å; V1440-F1636 HydrophobicContact CG1-CG 4.36Å; V1440-F1636 HydrophobicContact CG2-CD1 3.78Å; V1440-F1636 HydrophobicContact CG2-CE1 3.86Å; V1440-I1637 HydrophobicContact CG2-CD1 4.09Å; V1440-I1637 HydrophobicContact CG2-CG1 4.02Å |
| 1441 | T | 66.3 | Low | 59.1 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 91.9 | -164 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | F1427 V1624 V1625 | F1427-T1441 HydrophobicContact CE2-CG2 3.61Å; F1427-T1441 WeakPolarHBondContact CE2-OG1 3.46Å; F1427-T1441 HydrophobicContact CZ-CG2 3.93Å; T1441-V1624 PolarHBondContact N-O 3.44Å; T1441-V1625 WeakPolarHBondContact O-CA 3.43Å; T1441-V1625 WeakPolarHBondContact O-CG1 3.28Å |
| 1442 | L | 63.9 | Low | 56.3 | Low | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.8 | -166.9 | -84.1 | 154.4 | 0 | 0 | 0 | 113.2 | A1418 V1440 C1626 G1629 L1632 S1633 | A1418-L1442 VanDerWaalsContact CB-O 3.25Å; A1418-L1442 WeakPolarHBondContact CB-O 3.01Å; V1440-L1442 HydrophobicContact CG1-CD1 4.17Å; V1440-L1442 HydrophobicContact CG1-CD2 3.84Å; L1442-C1626 HydrophobicContact CD2-CB 4.11Å; L1442-C1626 HydrophobicContact CG-CB 3.9Å; L1442-G1629 WeakPolarHBondContact CB-O 3.37Å; L1442-L1632 VanDerWaalsContact CD1-C 3.42Å; L1442-L1632 HydrophobicContact CD1-CB 3.64Å; L1442-S1633 WeakPolarHBondContact CD1-OG 3.37Å |
| 1443 | I | 59 | Low | 53.7 | Low | 34 Ų | 34 | 61.7 Ų | 61.7 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 132.7 | -172.2 | -54.7 | 163.9 | 0 | 0 | 0 | 109.4 | A1418 P1486 Y1488 V1625 C1626 E1627 Y1628 G1629 | A1418-I1443 HydrophobicContact CB-CB 4.07Å; A1418-I1443 HydrophobicContact CB-CG1 3.61Å; A1418-I1443 HydrophobicContact CB-CG2 4.48Å; I1443-P1486 HydrophobicContact CD1-CG 4.34Å; I1443-Y1488 HydrophobicContact CD1-CE1 4.16Å; I1443-V1625 HydrophobicContact CD1-CG1 3.63Å; I1443-V1625 HydrophobicContact CG1-CG1 4.07Å; I1443-C1626 PolarHBondContact N-O 2.96Å; I1443-E1627 HydrophobicContact CD1-CG 3.93Å; I1443-E1627 CarbonylContact O-C 3.4Å; I1443-E1627 VanDerWaalsContact O-C 3.28Å; I1443-Y1628 PolarHBondContact O-N 3.44Å; I1443-G1629 PolarHBondContact O-N 2.78Å |
| 1444 | P | 44.6 | Very low | 51 | Low | 53 Ų | 53 | 65.1 Ų | 65.1 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 132.3 | 175.8 | -13.2 | 28.6 | 0 | 0 | 0 | 112.7 | A1630 | P1444-A1630 HydrophobicContact CG-CB 4.27Š|
| 1445 | S | 43.4 | Very low | 48.6 | Very low | 63 Ų | 63 | 70.4 Ų | 70.4 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 150.2 | 173 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1446 | R | 38.5 | Very low | 46.7 | Very low | 142 Ų | 142 | 74.9 Ų | 74.9 | 54% | 0.536 | 43% | 0.431 | S | S | . | . | trans | -86.6 | 115.9 | 162.6 | -76 | -178.9 | 177.2 | 165.1 | -1.6 | 108.1 | N1448 D1476 | R1446-N1448 PolarHBondContact O-N 2.88Å; R1446-D1476 IonicContact CZ-OD1 3.67Å; R1446-D1476 IonicContact NH1-OD1 2.67Å; R1446-D1476 PolarHBondContact NH1-OD1 3.18Å; R1446-D1476 IonicContact NH2-OD1 2.64Å; R1446-D1476 PolarHBondContact NH2-OD1 2.93Å; R1446-D1476 IonicContact NH2-OD2 2.66Å | ||
| 1447 | M | 35.3 | Very low | 45 | Very low | 160 Ų | 160 | 82.6 Ų | 82.6 | 79% | 0.788 | 47% | 0.472 | S | S | * | . | trans | -76.2 | 119.1 | 169.8 | -86.1 | -170.3 | 163.9 | 0 | 0 | 111.1 | ||||
| 1448 | N | 28 | Very low | 42.6 | Very low | 92 Ų | 92 | 89 Ų | 89 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | trans | -78.8 | 126.7 | 166.6 | -84.6 | -7.5 | 0 | 0 | 0 | 110.7 | R1446 T1450 E1479 | R1446-N1448 PolarHBondContact O-N 2.88Å; N1448-T1450 PolarHBondContact O-N 2.81Å; N1448-T1450 VanDerWaalsContact O-N 3.15Å; N1448-E1479 PolarHBondContact ND2-OE1 2.89Å | ||
| 1449 | C | 24.6 | Very low | 39.9 | Very low | 122 Ų | 122 | 96 Ų | 96 | 82% | 0.824 | 54% | 0.543 | S | S | * | . | trans | -85.6 | 77.8 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | T1451 | C1449-T1451 PolarHBondContact O-N 3.22Š| ||
| 1450 | T | 26.8 | Very low | 37.4 | Very low | 131 Ų | 131 | 103.6 Ų | 103.6 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | -68.4 | 121.1 | 172.1 | 38.6 | 0 | 0 | 0 | 0 | 110.7 | N1448 T1452 | N1448-T1450 PolarHBondContact O-N 2.81Å; N1448-T1450 VanDerWaalsContact O-N 3.15Å; T1450-T1452 PolarHBondContact O-N 2.9Å | ||
| 1451 | T | 25 | Very low | 34.8 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 77% | 0.767 | 63% | 0.627 | S | S | * | * | trans | -78.3 | 112 | -174 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | C1449 | C1449-T1451 PolarHBondContact O-N 3.22Š| ||
| 1452 | T | 26.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 86% | 0.859 | 65% | 0.654 | S | S | * | * | trans | -88.7 | 125.9 | 150.3 | 46.3 | 0 | 0 | 0 | 0 | 109 | T1450 | T1450-T1452 PolarHBondContact O-N 2.9Š| ||
| 1453 | T | 27.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | trans | -78 | 125.2 | -177.2 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1454 | T | 26.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | 44.2 | 111.4 | 138 | -20.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1455 | T | 29.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | -155.3 | 140.3 | 71.6 | 27.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1456 | N | 27.5 | Very low | 28.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 27.5 | 102.6 | 151.8 | -59.2 | -5.2 | 0 | 0 | 0 | 119.9 | ||||
| 1457 | N | 31 | Very low | 27.7 | Very low | 167 Ų | 167 | 136 Ų | 136 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | -153.1 | 156.1 | 100.6 | -114.9 | -25.6 | 0 | 0 | 0 | 112.7 | |||||
| 1458 | N | 26.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -110 | 122.3 | -172.1 | -76.1 | -53.3 | 0 | 0 | 0 | 112 | ||||
| 1459 | N | 27.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | 158.7 | 71.6 | 129.6 | -80.7 | -33.8 | 0 | 0 | 0 | 113.1 | |||||
| 1460 | N | 27.2 | Very low | 27.3 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -167.6 | 78 | 151.2 | -101.1 | -26.4 | 0 | 0 | 0 | 112.1 | ||||
| 1461 | K | 25.3 | Very low | 27.3 | Very low | 209 Ų | 209 | 133 Ų | 133 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -135.7 | 87.2 | 168.5 | -79.8 | -168.6 | 175.1 | -179.2 | 0 | 111 | ||||
| 1462 | S | 25.9 | Very low | 27.6 | Very low | 81 Ų | 81 | 128 Ų | 128 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | trans | -157.6 | 54.2 | 171.4 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1463 | F | 30.9 | Very low | 27.9 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 63% | 0.627 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -130.1 | -5.9 | 179 | -107.2 | -81.6 | 0 | 0 | 0 | 115.7 | Y1674 | F1463-Y1674 HydrophobicContact CE1-CE2 4.31Å; F1463-Y1674 AromaticContact CZ-CE2 3.91Å; F1463-Y1674 HydrophobicContact CZ-CE2 3.91Å |
| 1464 | Y | 28.5 | Very low | 28.4 | Very low | 186 Ų | 186 | 122 Ų | 122 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -134.1 | 25.1 | -174.8 | -80.2 | -76.5 | 0 | 0 | 0 | 114.2 | ||
| 1465 | S | 24.3 | Very low | 28.6 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -115.9 | 50.8 | -173.8 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1466 | S | 25.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -151.8 | 6.8 | 178.8 | 55.7 | 0 | 0 | 0 | 0 | 116 | ||
| 1467 | I | 30 | Very low | 28.7 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | trans | -116.7 | 95.6 | 172.3 | -55.4 | -179.1 | 0 | 0 | 0 | 108.9 | ||||
| 1468 | S | 26.2 | Very low | 28.9 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -141 | 151.7 | 171.6 | -175 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1469 | S | 25.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 87% | 0.867 | 67% | 0.67 | S | S | * | * | trans | 61.3 | 77.8 | 177.8 | -57 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1470 | G | 26.8 | Very low | 30 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -153 | 126.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1472 | G1470-G1472 PolarHBondContact O-N 2.99Š| ||
| 1471 | E | 28.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -56.4 | 131.2 | -173.6 | -56.9 | 169.6 | 124.6 | 0 | 0 | 113.3 | M1420 K1422 | M1420-E1471 WeakPolarHBondContact CE-O 3.4Å; K1422-E1471 WeakPolarHBondContact CE-OE2 3.49Å; K1422-E1471 IonicContact NZ-OE2 2.71Å; K1422-E1471 PolarHBondContact NZ-OE2 3.31Å |
| 1472 | G | 31.5 | Very low | 32.1 | Very low | 19 Ų | 19 | 111.5 Ų | 111.5 | 20% | 0.196 | 63% | 0.628 | C | S | . | * | trans | 159.7 | 20.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | G1470 | G1470-G1472 PolarHBondContact O-N 2.99Š| ||
| 1473 | T | 31.4 | Very low | 33.3 | Very low | 84 Ų | 84 | 111.3 Ų | 111.3 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | trans | -96.4 | 108.5 | 177.1 | 50.2 | 0 | 0 | 0 | 0 | 110.1 | N1475 | T1473-N1475 PolarHBondContact O-N 3.25Š| ||
| 1474 | F | 39.8 | Very low | 34.7 | Very low | 52 Ų | 52 | 109.6 Ų | 109.6 | 23% | 0.228 | 61% | 0.61 | C | S | . | * | trans | -80.4 | 103.7 | -179.6 | -69.9 | -87.4 | 0 | 0 | 0 | 110.7 | I1421 I1424 R1484 V1487 | I1421-F1474 HydrophobicContact CB-CE1 4.49Å; I1421-F1474 HydrophobicContact CD1-CD1 4.44Å; I1421-F1474 HydrophobicContact CD1-CE1 4.18Å; I1421-F1474 HydrophobicContact CG1-CD1 4.04Å; I1421-F1474 HydrophobicContact CG1-CE1 3.32Å; I1421-F1474 HydrophobicContact CG1-CZ 3.67Å; I1424-F1474 HydrophobicContact CD1-CE1 4.37Å; I1424-F1474 HydrophobicContact CD1-CZ 4.24Å; F1474-R1484 PolarHBondContact O-NH2 2.66Å; F1474-V1487 HydrophobicContact CB-CG2 3.84Å; F1474-V1487 HydrophobicContact CD1-CB 3.44Å; F1474-V1487 VanDerWaalsContact CD1-CB 3.44Å; F1474-V1487 HydrophobicContact CD1-CG1 3.77Å; F1474-V1487 HydrophobicContact CD1-CG2 3.63Å; F1474-V1487 HydrophobicContact CE1-CB 3.6Å; F1474-V1487 HydrophobicContact CE1-CG1 3.77Å; F1474-V1487 HydrophobicContact CE1-CG2 4.31Å; F1474-V1487 HydrophobicContact CG-CB 4.02Å; F1474-V1487 HydrophobicContact CG-CG2 3.9Å; F1474-V1487 HydrophobicContact CZ-CB 4.33Å | ||
| 1475 | N | 31 | Very low | 36.5 | Very low | 142 Ų | 142 | 103.4 Ų | 103.4 | 76% | 0.759 | 59% | 0.588 | S | S | * | * | trans | 39.5 | 108.1 | 176.3 | -74.5 | 11.8 | 0 | 0 | 0 | 117.3 | T1473 N1477 R1484 | T1473-N1475 PolarHBondContact O-N 3.25Å; N1475-N1477 PolarHBondContact O-N 2.64Å; N1475-R1484 PolarHBondContact O-NH2 3Å | ||
| 1476 | D | 26.5 | Very low | 38.7 | Very low | 96 Ų | 96 | 99.2 Ų | 99.2 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | trans | -65.8 | 121.2 | 169 | -52.5 | -86 | 0 | 0 | 0 | 111.5 | R1446 | R1446-D1476 IonicContact CZ-OD1 3.67Å; R1446-D1476 IonicContact NH1-OD1 2.67Å; R1446-D1476 PolarHBondContact NH1-OD1 3.18Å; R1446-D1476 IonicContact NH2-OD1 2.64Å; R1446-D1476 PolarHBondContact NH2-OD1 2.93Å; R1446-D1476 IonicContact NH2-OD2 2.66Å | ||
| 1477 | N | 32.1 | Very low | 40.9 | Very low | 137 Ų | 137 | 97.6 Ų | 97.6 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | trans | 175.5 | 148 | 155 | -87.3 | -19.5 | 0 | 0 | 0 | 106.2 | N1475 R1484 | N1475-N1477 PolarHBondContact O-N 2.64Å; N1477-R1484 PolarHBondContact O-NH1 3.41Å | ||
| 1478 | D | 36.5 | Very low | 43.4 | Very low | 136 Ų | 136 | 91 Ų | 91 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | trans | 54.5 | 107.4 | -177 | -54.6 | -37.3 | 0 | 0 | 0 | 116.3 | R1484 | D1478-R1484 PolarHBondContact O-NH1 3.37Š| ||
| 1479 | E | 36.6 | Very low | 46.2 | Very low | 139 Ų | 139 | 86.1 Ų | 86.1 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -94.5 | 0.3 | -170.5 | -68.3 | -166.8 | 98.7 | 0 | 0 | 115.7 | N1448 | N1448-E1479 PolarHBondContact ND2-OE1 2.89Š|
| 1480 | H | 40 | Very low | 49.1 | Very low | 173 Ų | 173 | 80.5 Ų | 80.5 | 80% | 0.801 | 44% | 0.435 | S | S | * | . | trans | -130.8 | 11.9 | -164.1 | -71.6 | -14.2 | 0 | 0 | 0 | 116.5 | P1482 | H1480-P1482 WeakPolarHBondContact O-CD 3.33Š| ||
| 1481 | D | 50.4 | Low | 51.7 | Low | 87 Ų | 87 | 82.2 Ų | 82.2 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | trans | -94.3 | 112 | 175.1 | -179.3 | 22 | 0 | 0 | 0 | 112.7 | L1483 R1484 | D1481-L1483 PolarHBondContact O-N 2.66Å; D1481-L1483 VanDerWaalsContact OD1-CB 3.29Å; D1481-L1483 WeakPolarHBondContact OD1-CB 3.13Å; D1481-L1483 PolarHBondContact OD1-N 3.39Å; D1481-R1484 VanDerWaalsContact O-CB 3.31Å; D1481-R1484 WeakPolarHBondContact O-CB 3.31Å; D1481-R1484 PolarHBondContact O-N 3.07Å; D1481-R1484 PolarHBondContact OD2-N 2.89Å | ||
| 1482 | P | 46.6 | Very low | 54.3 | Low | 63 Ų | 63 | 77 Ų | 77 | 41% | 0.409 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.7 | 173.3 | 33.2 | -36.3 | 0 | 0 | 0 | 113.9 | H1480 | H1480-P1482 WeakPolarHBondContact O-CD 3.33Š|
| 1483 | L | 50.1 | Low | 56.6 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3.1 | 174.7 | -55.1 | 174.5 | 0 | 0 | 0 | 112.8 | D1481 I1485 N1492 | D1481-L1483 PolarHBondContact O-N 2.66Å; D1481-L1483 VanDerWaalsContact OD1-CB 3.29Å; D1481-L1483 WeakPolarHBondContact OD1-CB 3.13Å; D1481-L1483 PolarHBondContact OD1-N 3.39Å; L1483-I1485 PolarHBondContact O-N 3.04Å; L1483-N1492 PolarHBondContact O-ND2 3.41Å |
| 1484 | R | 60.1 | Low | 59.2 | Low | 108 Ų | 108 | 84 Ų | 84 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -49 | 130.2 | -177.7 | -178.8 | 175 | -179.1 | 132.3 | 6.3 | 111.7 | F1474 N1475 N1477 D1478 D1481 P1486 | F1474-R1484 PolarHBondContact O-NH2 2.66Å; N1475-R1484 PolarHBondContact O-NH2 3Å; N1477-R1484 PolarHBondContact O-NH1 3.41Å; D1478-R1484 PolarHBondContact O-NH1 3.37Å; D1481-R1484 VanDerWaalsContact O-CB 3.31Å; D1481-R1484 WeakPolarHBondContact O-CB 3.31Å; D1481-R1484 PolarHBondContact O-N 3.07Å; D1481-R1484 PolarHBondContact OD2-N 2.89Å; R1484-P1486 WeakPolarHBondContact O-CD 3.17Å |
| 1485 | I | 67.5 | Low | 61.3 | Low | 55 Ų | 55 | 82.7 Ų | 82.7 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 121.2 | -173.6 | -61.6 | 142.7 | 0 | 0 | 0 | 110.6 | L1483 V1487 L1489 N1492 | L1483-I1485 PolarHBondContact O-N 3.04Å; I1485-V1487 PolarHBondContact O-N 2.91Å; I1485-L1489 HydrophobicContact CG2-CB 4.27Å; I1485-N1492 HydrophobicContact CD1-CB 4.18Å; I1485-N1492 HydrophobicContact CG1-CB 4.24Å; I1485-N1492 VanDerWaalsContact CG1-ND2 3.27Å; I1485-N1492 WeakPolarHBondContact CG1-ND2 3.3Å |
| 1486 | P | 69.1 | Low | 64 | Low | 19 Ų | 19 | 76.8 Ų | 76.8 | 12% | 0.123 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 130.1 | 169 | -23.8 | 32.8 | 0 | 0 | 0 | 112.2 | I1443 R1484 Y1488 L1489 E1627 | I1443-P1486 HydrophobicContact CD1-CG 4.34Å; R1484-P1486 WeakPolarHBondContact O-CD 3.17Å; P1486-Y1488 HydrophobicContact CB-CD1 3.71Å; P1486-Y1488 HydrophobicContact CB-CE1 3.29Å; P1486-Y1488 HydrophobicContact CG-CE1 4.17Å; P1486-Y1488 PolarHBondContact O-N 2.8Å; P1486-L1489 HydrophobicContact CB-CD1 4.11Å; P1486-L1489 HydrophobicContact CG-CD1 4.04Å; P1486-L1489 WeakPolarHBondContact O-CB 3.5Å; P1486-L1489 PolarHBondContact O-N 3.42Å; P1486-E1627 VanDerWaalsContact CG-OE1 3.31Å; P1486-E1627 WeakPolarHBondContact CG-OE1 3.48Å |
| 1487 | V | 72.8 | Confident | 67 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.8 | -171.4 | 178.2 | 0 | 0 | 0 | 0 | 115.1 | F1474 I1485 L1489 | F1474-V1487 HydrophobicContact CB-CG2 3.84Å; F1474-V1487 HydrophobicContact CD1-CB 3.44Å; F1474-V1487 VanDerWaalsContact CD1-CB 3.44Å; F1474-V1487 HydrophobicContact CD1-CG1 3.77Å; F1474-V1487 HydrophobicContact CD1-CG2 3.63Å; F1474-V1487 HydrophobicContact CE1-CB 3.6Å; F1474-V1487 HydrophobicContact CE1-CG1 3.77Å; F1474-V1487 HydrophobicContact CE1-CG2 4.31Å; F1474-V1487 HydrophobicContact CG-CB 4.02Å; F1474-V1487 HydrophobicContact CG-CG2 3.9Å; F1474-V1487 HydrophobicContact CZ-CB 4.33Å; I1485-V1487 PolarHBondContact O-N 2.91Å; V1487-L1489 VanDerWaalsContact C-N 3.31Å |
| 1488 | Y | 81.9 | Confident | 69.8 | Low | 5 Ų | 5 | 73 Ų | 73 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.5 | 168.7 | 71.1 | -90.9 | 0 | 0 | 0 | 113.4 | P1419 W1428 I1443 P1486 H1570 | P1419-Y1488 HydrophobicContact CB-CD1 4.25Å; P1419-Y1488 HydrophobicContact CB-CG 4.19Å; P1419-Y1488 HydrophobicContact CG-CD1 4.11Å; P1419-Y1488 HydrophobicContact CG-CD2 4.17Å; P1419-Y1488 HydrophobicContact CG-CE1 4.49Å; P1419-Y1488 HydrophobicContact CG-CG 3.97Å; W1428-Y1488 AromaticContact CZ2-CD2 3.81Å; W1428-Y1488 HydrophobicContact CZ2-CD2 3.81Å; W1428-Y1488 HydrophobicContact CZ2-CE2 4.29Å; W1428-Y1488 WeakPolarHBondContact CZ2-O 3.3Å; W1428-Y1488 PolarHBondContact NE1-O 3.19Å; I1443-Y1488 HydrophobicContact CD1-CE1 4.16Å; P1486-Y1488 HydrophobicContact CB-CD1 3.71Å; P1486-Y1488 HydrophobicContact CB-CE1 3.29Å; P1486-Y1488 HydrophobicContact CG-CE1 4.17Å; P1486-Y1488 PolarHBondContact O-N 2.8Å; Y1488-H1570 AromaticContact CE2-NE2 3.71Å; Y1488-H1570 AromaticContact CZ-NE2 3.89Å; Y1488-H1570 PolarHBondContact OH-NE2 3.15Å; Y1488-H1570 VanDerWaalsContact OH-NE2 3.15Å |
| 1489 | L | 85.6 | Confident | 72.2 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -117.6 | 150.1 | 179.4 | -64.3 | 162.6 | 0 | 0 | 0 | 111.1 | W1428 I1485 P1486 V1487 I1555 | W1428-L1489 HydrophobicContact CH2-CD2 4.16Å; W1428-L1489 HydrophobicContact CZ2-CD2 3.91Å; I1485-L1489 HydrophobicContact CG2-CB 4.27Å; P1486-L1489 HydrophobicContact CB-CD1 4.11Å; P1486-L1489 HydrophobicContact CG-CD1 4.04Å; P1486-L1489 WeakPolarHBondContact O-CB 3.5Å; P1486-L1489 PolarHBondContact O-N 3.42Å; V1487-L1489 VanDerWaalsContact C-N 3.31Å; L1489-I1555 HydrophobicContact CD2-CD1 3.46Å; L1489-I1555 VanDerWaalsContact CD2-CD1 3.46Å |
| 1490 | P | 85.8 | Confident | 74.6 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.032 | 34% | 0.338 | C | S | . | . | trans | -66.2 | 164.2 | 165.1 | 31.3 | -36.6 | 0 | 0 | 0 | 111.5 | A1496 L1498 I1507 L1509 | P1490-A1496 HydrophobicContact CB-CB 4.2Å; P1490-L1498 HydrophobicContact CB-CB 3.96Å; P1490-I1507 HydrophobicContact CG-CG2 4.26Å; P1490-L1509 HydrophobicContact CG-CB 4.01Å | ||
| 1491 | D | 82.4 | Confident | 76.3 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | trans | -51.8 | 151.4 | 176.6 | -60.1 | -41.6 | 0 | 0 | 0 | 112.7 | K1493 A1496 L1509 | D1491-K1493 PolarHBondContact O-N 2.96Å; D1491-A1496 HydrophobicContact CB-CB 4.11Å; D1491-L1509 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1492 | N | 82.4 | Confident | 77.6 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -66.5 | 33.8 | 174.7 | -73.9 | -25.8 | 0 | 0 | 0 | 113.6 | L1483 I1485 I1512 Q1514 R1553 | L1483-N1492 PolarHBondContact O-ND2 3.41Å; I1485-N1492 HydrophobicContact CD1-CB 4.18Å; I1485-N1492 HydrophobicContact CG1-CB 4.24Å; I1485-N1492 VanDerWaalsContact CG1-ND2 3.27Å; I1485-N1492 WeakPolarHBondContact CG1-ND2 3.3Å; N1492-I1512 HydrophobicContact CB-CD1 3.64Å; N1492-I1512 VanDerWaalsContact OD1-CD1 3.29Å; N1492-I1512 WeakPolarHBondContact OD1-CD1 3.49Å; N1492-Q1514 PolarHBondContact ND2-NE2 2.9Å; N1492-Q1514 VanDerWaalsContact ND2-NE2 3.15Å; N1492-R1553 PolarHBondContact OD1-NE 3.03Å; N1492-R1553 PolarHBondContact OD1-NH2 3.3Å |
| 1493 | K | 81.1 | Confident | 79.5 | Confident | 157 Ų | 157 | 59.7 Ų | 59.7 | 68% | 0.683 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -122 | 117.8 | -178.9 | -178.1 | 174.4 | -177.8 | 173.7 | 0 | 109.8 | D1491 G1495 A1496 | D1491-K1493 PolarHBondContact O-N 2.96Å; K1493-G1495 PolarHBondContact O-N 3.42Å; K1493-A1496 HydrophobicContact CB-CB 4.48Å; K1493-A1496 WeakPolarHBondContact O-CB 3.18Å; K1493-A1496 PolarHBondContact O-N 3.3Å |
| 1494 | T | 84.3 | Confident | 81.2 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 129.1 | 178.5 | -64.8 | 0 | 0 | 0 | 0 | 112 | Q1510 | T1494-Q1510 VanDerWaalsContact CG2-O 3.31Å; T1494-Q1510 WeakPolarHBondContact CG2-O 3.4Å |
| 1495 | G | 84 | Confident | 82.6 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1493 R1508 L1509 | K1493-G1495 PolarHBondContact O-N 3.42Å; G1495-R1508 PolarHBondContact O-NE 3.43Å; G1495-L1509 WeakPolarHBondContact CA-O 3.35Å; G1495-L1509 PolarHBondContact N-O 3.19Å |
| 1496 | A | 87.8 | Confident | 83.8 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | trans | -59.5 | 148.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1490 D1491 K1493 R1508 L1509 | P1490-A1496 HydrophobicContact CB-CB 4.2Å; D1491-A1496 HydrophobicContact CB-CB 4.11Å; K1493-A1496 HydrophobicContact CB-CB 4.48Å; K1493-A1496 WeakPolarHBondContact O-CB 3.18Å; K1493-A1496 PolarHBondContact O-N 3.3Å; A1496-R1508 WeakPolarHBondContact O-CA 3.48Å; A1496-R1508 WeakPolarHBondContact O-CG 3.42Å; A1496-L1509 PolarHBondContact O-N 2.71Å | ||
| 1497 | K | 90.4 | Very high | 84.8 | Confident | 113 Ų | 113 | 52.4 Ų | 52.4 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.6 | -172.5 | -69.2 | 163.5 | 164.5 | -81 | 0 | 110.3 | E1506 I1507 R1508 | K1497-E1506 HydrophobicContact CB-CG 4.3Å; K1497-E1506 WeakPolarHBondContact CD-OE2 3.5Å; K1497-E1506 HydrophobicContact CG-CG 4.38Å; K1497-E1506 IonicContact NZ-OE1 3.57Å; K1497-E1506 PolarHBondContact NZ-OE1 3.03Å; K1497-E1506 IonicContact NZ-OE2 3.63Å; K1497-E1506 PolarHBondContact NZ-OE2 3.47Å; K1497-I1507 CarbonylContact C-O 3.53Å; K1497-I1507 WeakPolarHBondContact CA-O 3.36Å; K1497-R1508 HydrophobicContact CG-CG 3.99Å |
| 1498 | L | 89.6 | Confident | 85.6 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 106.2 | 167.7 | 173.5 | 63 | 0 | 0 | 0 | 108.4 | P1490 L1500 I1507 | P1490-L1498 HydrophobicContact CB-CB 3.96Å; L1498-L1500 HydrophobicContact CD2-CD2 4.11Å; L1498-L1500 HydrophobicContact CG-CD2 4.16Å; L1498-I1507 HydrophobicContact CB-CB 4.4Å; L1498-I1507 HydrophobicContact CB-CD1 4.39Å; L1498-I1507 HydrophobicContact CD2-CD1 3.87Å; L1498-I1507 HydrophobicContact CG-CD1 4.14Å; L1498-I1507 PolarHBondContact N-O 3.18Å; L1498-I1507 PolarHBondContact O-N 2.93Å |
| 1499 | S | 88.7 | Confident | 86 | Confident | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.6 | 170.7 | -53 | 0 | 0 | 0 | 0 | 109.2 | P1501 | S1499-P1501 VanDerWaalsContact O-CD 3.31Å; S1499-P1501 WeakPolarHBondContact O-CD 3.39Å |
| 1500 | L | 85.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | trans | -78.7 | 114.5 | -174 | -69.2 | -175.5 | 0 | 0 | 0 | 112.2 | I1424 I1425 W1428 L1498 G1502 S1503 L1505 I1507 | I1424-L1500 HydrophobicContact CG2-CD1 4.07Å; I1424-L1500 HydrophobicContact CG2-CD2 3.45Å; I1424-L1500 VanDerWaalsContact CG2-CD2 3.45Å; I1424-L1500 HydrophobicContact CG2-CG 4.41Å; I1425-L1500 HydrophobicContact CG1-CB 4.42Å; I1425-L1500 HydrophobicContact CG1-CD1 4.47Å; W1428-L1500 HydrophobicContact CB-CD1 3.95Å; W1428-L1500 HydrophobicContact CG-CD1 4.09Å; L1498-L1500 HydrophobicContact CD2-CD2 4.11Å; L1498-L1500 HydrophobicContact CG-CD2 4.16Å; L1500-G1502 PolarHBondContact O-N 3.15Å; L1500-S1503 VanDerWaalsContact CB-OG 3.27Å; L1500-S1503 WeakPolarHBondContact CB-OG 3.42Å; L1500-S1503 PolarHBondContact O-N 3.25Å; L1500-S1503 VanDerWaalsContact O-N 3.08Å; L1500-S1503 PolarHBondContact O-OG 2.92Å; L1500-S1503 VanDerWaalsContact O-OG 3.05Å; L1500-L1505 HydrophobicContact CB-CB 4.48Å; L1500-L1505 HydrophobicContact CD1-CB 4Å; L1500-L1505 HydrophobicContact CD1-CD1 4.07Å; L1500-L1505 HydrophobicContact CG-CB 4.44Å; L1500-L1505 PolarHBondContact N-O 2.96Å; L1500-I1507 HydrophobicContact CD1-CD1 3.98Å; L1500-I1507 HydrophobicContact CD2-CD1 3.61Å; L1500-I1507 HydrophobicContact CG-CD1 3.72Å | ||
| 1501 | P | 76.2 | Confident | 86.3 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 125.7 | -174.7 | -24.2 | 34.7 | 0 | 0 | 0 | 112.6 | S1499 | S1499-P1501 VanDerWaalsContact O-CD 3.31Å; S1499-P1501 WeakPolarHBondContact O-CD 3.39Å |
| 1502 | G | 78.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 88% | 0.876 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1500 | L1500-G1502 PolarHBondContact O-N 3.15Š|
| 1503 | S | 85.9 | Confident | 86.4 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -136.3 | 175.4 | 171.5 | 78 | 0 | 0 | 0 | 0 | 111.7 | L1500 L1505 | L1500-S1503 VanDerWaalsContact CB-OG 3.27Å; L1500-S1503 WeakPolarHBondContact CB-OG 3.42Å; L1500-S1503 PolarHBondContact O-N 3.25Å; L1500-S1503 VanDerWaalsContact O-N 3.08Å; L1500-S1503 PolarHBondContact O-OG 2.92Å; L1500-S1503 VanDerWaalsContact O-OG 3.05Å; S1503-L1505 PolarHBondContact OG-N 3.21Å |
| 1504 | N | 85.9 | Confident | 85.5 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -99.3 | 15.9 | 175.4 | -54.3 | -66.1 | 0 | 0 | 0 | 112.5 | D1559 F1560 N1561 | N1504-D1559 WeakPolarHBondContact CB-OD1 3.19Å; N1504-F1560 HydrophobicContact CB-CB 4.44Å; N1504-F1560 VanDerWaalsContact O-CD2 3.31Å; N1504-F1560 WeakPolarHBondContact O-CD2 3.19Å; N1504-F1560 PolarHBondContact O-N 2.76Å; N1504-N1561 PolarHBondContact ND2-ND2 3.22Å; N1504-N1561 VanDerWaalsContact ND2-ND2 3.13Å |
| 1505 | L | 88.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.2 | -178.4 | -64.4 | 171.6 | 0 | 0 | 0 | 111.5 | I1425 W1428 L1432 L1500 S1503 V1557 Q1558 D1559 | I1425-L1505 HydrophobicContact CG2-CD1 4.45Å; W1428-L1505 HydrophobicContact CB-CD1 3.98Å; L1432-L1505 HydrophobicContact CD2-CD2 4.17Å; L1500-L1505 HydrophobicContact CB-CB 4.48Å; L1500-L1505 HydrophobicContact CD1-CB 4Å; L1500-L1505 HydrophobicContact CD1-CD1 4.07Å; L1500-L1505 HydrophobicContact CG-CB 4.44Å; L1500-L1505 PolarHBondContact N-O 2.96Å; S1503-L1505 PolarHBondContact OG-N 3.21Å; L1505-V1557 HydrophobicContact CD2-CG1 4.15Å; L1505-Q1558 WeakPolarHBondContact CA-O 3.46Å; L1505-D1559 HydrophobicContact CD2-CB 3.92Å |
| 1506 | E | 92.6 | Very high | 81.2 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.3 | 161.4 | -174.6 | -174.7 | 96.8 | 0 | 0 | 109.7 | K1497 V1557 Q1558 F1560 | K1497-E1506 HydrophobicContact CB-CG 4.3Å; K1497-E1506 WeakPolarHBondContact CD-OE2 3.5Å; K1497-E1506 HydrophobicContact CG-CG 4.38Å; K1497-E1506 IonicContact NZ-OE1 3.57Å; K1497-E1506 PolarHBondContact NZ-OE1 3.03Å; K1497-E1506 IonicContact NZ-OE2 3.63Å; K1497-E1506 PolarHBondContact NZ-OE2 3.47Å; E1506-V1557 WeakPolarHBondContact O-CA 3.29Å; E1506-Q1558 PolarHBondContact N-O 2.92Å; E1506-Q1558 PolarHBondContact O-N 3.22Å; E1506-F1560 HydrophobicContact CB-CE2 3.67Å; E1506-F1560 HydrophobicContact CB-CZ 3.69Å; E1506-F1560 HydrophobicContact CG-CZ 4.4Å |
| 1507 | I | 91.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.1 | 171.3 | -52.4 | 144.7 | 0 | 0 | 0 | 107.2 | W1428 P1490 K1497 L1498 L1500 I1555 T1556 | W1428-I1507 HydrophobicContact CD2-CD1 4.09Å; W1428-I1507 HydrophobicContact CD2-CG1 4.11Å; W1428-I1507 HydrophobicContact CG-CD1 3.98Å; W1428-I1507 HydrophobicContact CG-CG1 4.2Å; W1428-I1507 HydrophobicContact CH2-CG2 4.3Å; W1428-I1507 HydrophobicContact CZ2-CD1 4.22Å; W1428-I1507 HydrophobicContact CZ2-CG1 4.47Å; W1428-I1507 HydrophobicContact CZ2-CG2 4.11Å; W1428-I1507 VanDerWaalsContact NE1-CD1 3.25Å; P1490-I1507 HydrophobicContact CG-CG2 4.26Å; K1497-I1507 CarbonylContact C-O 3.53Å; K1497-I1507 WeakPolarHBondContact CA-O 3.36Å; L1498-I1507 HydrophobicContact CB-CB 4.4Å; L1498-I1507 HydrophobicContact CB-CD1 4.39Å; L1498-I1507 HydrophobicContact CD2-CD1 3.87Å; L1498-I1507 HydrophobicContact CG-CD1 4.14Å; L1498-I1507 PolarHBondContact N-O 3.18Å; L1498-I1507 PolarHBondContact O-N 2.93Å; L1500-I1507 HydrophobicContact CD1-CD1 3.98Å; L1500-I1507 HydrophobicContact CD2-CD1 3.61Å; L1500-I1507 HydrophobicContact CG-CD1 3.72Å; I1507-I1555 HydrophobicContact CG2-CG2 3.42Å; I1507-I1555 VanDerWaalsContact CG2-CG2 3.42Å; I1507-T1556 CarbonylContact C-O 3.57Å; I1507-T1556 WeakPolarHBondContact CA-O 3.5Å |
| 1508 | R | 90 | Very high | 75.5 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.2 | -177.2 | -164.4 | 177.2 | -171.6 | -161.8 | -3.4 | 111.8 | G1495 A1496 K1497 I1555 T1556 | G1495-R1508 PolarHBondContact O-NE 3.43Å; A1496-R1508 WeakPolarHBondContact O-CA 3.48Å; A1496-R1508 WeakPolarHBondContact O-CG 3.42Å; K1497-R1508 HydrophobicContact CG-CG 3.99Å; R1508-I1555 CarbonylContact O-C 3.54Å; R1508-I1555 WeakPolarHBondContact O-CA 3.38Å; R1508-T1556 PolarHBondContact N-O 2.88Å; R1508-T1556 PolarHBondContact O-N 3.22Å |
| 1509 | L | 90 | Very high | 72.5 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.8 | 172.9 | -171.4 | 62.4 | 0 | 0 | 0 | 109.5 | P1490 D1491 G1495 A1496 S1511 I1512 R1553 I1555 | P1490-L1509 HydrophobicContact CG-CB 4.01Å; D1491-L1509 WeakPolarHBondContact O-CD2 3.49Å; G1495-L1509 WeakPolarHBondContact CA-O 3.35Å; G1495-L1509 PolarHBondContact N-O 3.19Å; A1496-L1509 PolarHBondContact O-N 2.71Å; L1509-S1511 VanDerWaalsContact CD1-O 3.23Å; L1509-S1511 WeakPolarHBondContact CD1-O 3.32Å; L1509-I1512 HydrophobicContact CD1-CB 4.37Å; L1509-I1512 HydrophobicContact CD2-CB 4.06Å; L1509-I1512 HydrophobicContact CD2-CD1 4.47Å; L1509-I1512 HydrophobicContact CD2-CG2 4.13Å; L1509-R1553 HydrophobicContact CD1-CB 3.69Å; L1509-R1553 HydrophobicContact CD1-CG 3.93Å; L1509-I1555 HydrophobicContact CD1-CG1 4.14Å |
| 1510 | Q | 88.5 | Confident | 69.8 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -36 | 178.4 | -61.3 | -69.7 | 10 | 0 | 0 | 112 | T1494 I1554 T1556 | T1494-Q1510 VanDerWaalsContact CG2-O 3.31Å; T1494-Q1510 WeakPolarHBondContact CG2-O 3.4Å; Q1510-I1554 HydrophobicContact CB-CB 4.37Å; Q1510-I1554 HydrophobicContact CB-CG2 4.14Å; Q1510-I1554 PolarHBondContact N-O 3.44Å; Q1510-T1556 WeakPolarHBondContact CG-OG1 3.41Å; Q1510-T1556 PolarHBondContact NE2-OG1 3.46Å |
| 1511 | S | 89.4 | Confident | 67.1 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 159.5 | 169.3 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | L1509 R1553 I1554 | L1509-S1511 VanDerWaalsContact CD1-O 3.23Å; L1509-S1511 WeakPolarHBondContact CD1-O 3.32Å; S1511-R1553 WeakPolarHBondContact O-CA 3.35Å; S1511-I1554 PolarHBondContact N-O 3.08Å; S1511-I1554 PolarHBondContact O-N 2.94Å; S1511-I1554 WeakPolarHBondContact OG-CB 3.35Å; S1511-I1554 WeakPolarHBondContact OG-CD1 3.21Å; S1511-I1554 WeakPolarHBondContact OG-CG1 3.49Å |
| 1512 | I | 86.1 | Confident | 64.7 | Low | 35 Ų | 35 | 80.4 Ų | 80.4 | 18% | 0.179 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.6 | 172.9 | -177.8 | 165.4 | 0 | 0 | 0 | 108.4 | N1492 L1509 Q1514 T1551 E1552 R1553 | N1492-I1512 HydrophobicContact CB-CD1 3.64Å; N1492-I1512 VanDerWaalsContact OD1-CD1 3.29Å; N1492-I1512 WeakPolarHBondContact OD1-CD1 3.49Å; L1509-I1512 HydrophobicContact CD1-CB 4.37Å; L1509-I1512 HydrophobicContact CD2-CB 4.06Å; L1509-I1512 HydrophobicContact CD2-CD1 4.47Å; L1509-I1512 HydrophobicContact CD2-CG2 4.13Å; I1512-Q1514 VanDerWaalsContact CD1-CD 3.49Å; I1512-Q1514 HydrophobicContact CD1-CG 3.88Å; I1512-Q1514 HydrophobicContact CG1-CG 3.91Å; I1512-T1551 HydrophobicContact CD1-CG2 3.76Å; I1512-T1551 HydrophobicContact CG1-CG2 3.73Å; I1512-E1552 WeakPolarHBondContact CA-O 3.44Å; I1512-R1553 HydrophobicContact CB-CG 4.41Å; I1512-R1553 HydrophobicContact CD1-CG 4Å; I1512-R1553 HydrophobicContact CG1-CG 3.98Å |
| 1513 | K | 80.6 | Confident | 62.4 | Low | 128 Ų | 128 | 84.7 Ų | 84.7 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 89.1 | 174.7 | -165.3 | -174.4 | -175.9 | -178.1 | 0 | 107.4 | E1552 | K1513-E1552 HydrophobicContact CB-CB 4.12Å; K1513-E1552 WeakPolarHBondContact CD-OE2 3.36Å; K1513-E1552 PolarHBondContact N-O 3.11Å; K1513-E1552 IonicContact NZ-OE2 2.72Å; K1513-E1552 PolarHBondContact NZ-OE2 2.96Å |
| 1514 | Q | 61.6 | Low | 59.6 | Low | 63 Ų | 63 | 90.4 Ų | 90.4 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | trans | -102.4 | 146.6 | 168.2 | -85.2 | 173 | -30.4 | 0 | 0 | 108.8 | N1492 I1512 S1516 T1551 | N1492-Q1514 PolarHBondContact ND2-NE2 2.9Å; N1492-Q1514 VanDerWaalsContact ND2-NE2 3.15Å; I1512-Q1514 VanDerWaalsContact CD1-CD 3.49Å; I1512-Q1514 HydrophobicContact CD1-CG 3.88Å; I1512-Q1514 HydrophobicContact CG1-CG 3.91Å; Q1514-S1516 PolarHBondContact O-N 2.83Å; Q1514-S1516 VanDerWaalsContact O-N 3.1Å; Q1514-T1551 HydrophobicContact CG-CG2 3.96Å | ||
| 1515 | S | 40.7 | Very low | 56.9 | Low | 57 Ų | 57 | 93 Ų | 93 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | trans | -66.1 | 106.6 | 171.6 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1516 | S | 36.7 | Very low | 54.3 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | trans | -69.6 | 130.4 | 178.7 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | Q1514 E1518 | Q1514-S1516 PolarHBondContact O-N 2.83Å; Q1514-S1516 VanDerWaalsContact O-N 3.1Å; S1516-E1518 PolarHBondContact O-N 2.67Å; S1516-E1518 VanDerWaalsContact O-N 3.12Å | ||
| 1517 | I | 32 | Very low | 51.4 | Low | 159 Ų | 159 | 106.8 Ų | 106.8 | 82% | 0.815 | 56% | 0.562 | S | S | * | * | trans | -81.8 | 78.5 | 164.1 | -57 | 174.9 | 0 | 0 | 0 | 106.8 | G1519 | I1517-G1519 PolarHBondContact O-N 2.95Š| ||
| 1518 | E | 26.7 | Very low | 48.6 | Very low | 181 Ų | 181 | 115.8 Ų | 115.8 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | trans | -86.9 | 91.2 | 170.6 | -82.4 | -178.5 | 160.5 | 0 | 0 | 109.3 | S1516 | S1516-E1518 PolarHBondContact O-N 2.67Å; S1516-E1518 VanDerWaalsContact O-N 3.12Å | ||
| 1519 | G | 27.7 | Very low | 45.8 | Very low | 53 Ų | 53 | 114.9 Ų | 114.9 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | trans | -156.6 | 42.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1517 | I1517-G1519 PolarHBondContact O-N 2.95Š| ||
| 1520 | N | 30.5 | Very low | 43.1 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -174.6 | 145.8 | 135.1 | -95.4 | -27.3 | 0 | 0 | 0 | 113.5 | ||||
| 1521 | T | 30 | Very low | 40.3 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | -73.5 | 165.2 | 170.3 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1522 | M | 24.8 | Very low | 37.5 | Very low | 178 Ų | 178 | 123.8 Ų | 123.8 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | trans | -61 | 141.5 | 174.3 | -57.8 | -178.3 | 73.5 | 0 | 0 | 112.3 | ||||
| 1523 | L | 31.5 | Very low | 34.8 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 91% | 0.911 | 66% | 0.655 | S | S | * | * | trans | -153.5 | 164.2 | 134.8 | -109.2 | 172.6 | 0 | 0 | 0 | 109.6 | ||||
| 1524 | Q | 27.7 | Very low | 32.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | trans | -92.3 | 163.9 | -168.9 | -77.9 | -178.7 | -110.3 | 0 | 0 | 114 | ||||
| 1525 | D | 29.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | 28.3 | 118.1 | 142.5 | -45.6 | -38.8 | 0 | 0 | 0 | 116.8 | ||||
| 1526 | D | 33.9 | Very low | 30.3 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | -163.3 | 178.3 | 70.5 | -150.1 | -25.6 | 0 | 0 | 0 | 113 | |||||
| 1527 | H | 30.7 | Very low | 30.1 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -72.3 | 146.6 | 179.3 | -66.6 | -91.3 | 0 | 0 | 0 | 114.5 | ||||
| 1528 | R | 33.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | 171 | 133.1 | 100.8 | -87.1 | -176.2 | -170 | -123.8 | -0.6 | 113.1 | F822 | F822-R1528 HydrophobicContact CE2-CG 4.03Å; F822-R1528 HydrophobicContact CZ-CG 3.78Å | |||
| 1529 | D | 29.6 | Very low | 30 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | trans | -63.9 | 135.4 | 173.4 | 8.8 | -72 | 0 | 0 | 0 | 113.1 | N820 | N820-D1529 VanDerWaalsContact ND2-C 3.33Å; N820-D1529 PolarHBondContact ND2-O 2.82Å | ||
| 1530 | I | 35 | Very low | 29.8 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 51% | 0.508 | 69% | 0.692 | S | S | . | * | trans | -161 | 107.7 | 170.9 | -114.6 | 151.8 | 0 | 0 | 0 | 111.7 | V819 N820 | V819-I1530 HydrophobicContact CB-CB 4.09Å; V819-I1530 HydrophobicContact CB-CG1 4.09Å; V819-I1530 HydrophobicContact CB-CG2 3.54Å; V819-I1530 HydrophobicContact CG1-CB 4.15Å; V819-I1530 HydrophobicContact CG1-CG2 3.2Å; N820-I1530 VanDerWaalsContact CG-CA 3.41Å; N820-I1530 VanDerWaalsContact N-CG1 3.29Å; N820-I1530 WeakPolarHBondContact O-CG1 3.46Å; N820-I1530 VanDerWaalsContact OD1-CA 3.29Å; N820-I1530 WeakPolarHBondContact OD1-CA 3.36Å; N820-I1530 PolarHBondContact OD1-N 3.25Å | ||
| 1531 | Q | 28.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 53% | 0.528 | 68% | 0.68 | S | S | . | * | trans | -129 | 142.3 | -161.3 | 175.5 | -150.5 | 70.7 | 0 | 0 | 115.9 | V819 N820 | V819-Q1531 CarbonylContact C-O 3.35Å; V819-Q1531 WeakPolarHBondContact CA-O 3.29Å; V819-Q1531 PolarHBondContact N-O 2.87Å; N820-Q1531 HydrophobicContact CB-CB 4.09Å; N820-Q1531 VanDerWaalsContact CG-N 3.3Å; N820-Q1531 VanDerWaalsContact N-N 3.15Å; N820-Q1531 WeakPolarHBondContact OD1-CB 3.43Å; N820-Q1531 PolarHBondContact OD1-N 2.86Å | ||
| 1532 | M | 30.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 51% | 0.512 | 68% | 0.682 | S | S | . | * | trans | 156 | 123.3 | 136.5 | -95.4 | -63.2 | 174.7 | 0 | 0 | 118 | S817 V818 | S817-M1532 CarbonylContact C-O 3.49Å; S817-M1532 VanDerWaalsContact CA-O 3.3Å; S817-M1532 WeakPolarHBondContact CA-O 3.39Å; V818-M1532 WeakPolarHBondContact CA-O 3.48Å; V818-M1532 PolarHBondContact N-O 3.06Å | ||
| 1533 | N | 29.3 | Very low | 29.5 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | trans | 63.6 | 157.6 | 165.6 | -78.8 | 20.2 | 0 | 0 | 0 | 119.8 | S817 V818 | S817-N1533 VanDerWaalsContact CA-O 3.29Å; S817-N1533 WeakPolarHBondContact CA-O 3.15Å; S817-N1533 PolarHBondContact N-O 2.89Å; V818-N1533 WeakPolarHBondContact CG2-O 3.41Å | ||
| 1534 | D | 33.1 | Very low | 29.4 | Very low | 50 Ų | 50 | 130.9 Ų | 130.9 | 27% | 0.267 | 66% | 0.661 | S | S | . | * | cis | -157.5 | 165.8 | -39.1 | 59.9 | 152.1 | 0 | 0 | 0 | 107.8 | N815 H816 | N815-D1534 WeakPolarHBondContact CA-OD2 3.4Å; N815-D1534 PolarHBondContact N-OD1 3.12Å; H816-D1534 WeakPolarHBondContact CA-OD2 3.36Å; H816-D1534 PolarHBondContact CE1-O 3.1Å; H816-D1534 IonicContact CE1-OD2 3.11Å; H816-D1534 IonicContact CG-OD2 2.82Å; H816-D1534 PolarHBondContact ND1-O 3.44Å; H816-D1534 IonicContact ND1-OD2 3.83Å; H816-D1534 PolarHBondContact ND1-OD2 3.1Å | ||
| 1535 | S | 27.6 | Very low | 29.6 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | 52.5 | -147.1 | 166 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1536 | N | 28.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | cis | -133.2 | 76.5 | -30.5 | -167.9 | -7.9 | 0 | 0 | 0 | 109.4 | ||||
| 1537 | R | 31.8 | Very low | 30.7 | Very low | 216 Ų | 216 | 131.8 Ų | 131.8 | 82% | 0.815 | 65% | 0.649 | S | S | * | * | trans | -146.5 | 120.8 | 172.1 | -102.2 | -175.1 | 176.9 | -173.9 | -1 | 111.7 | F1539 | R1537-F1539 PolarHBondContact O-N 3.08Š| ||
| 1538 | H | 25.9 | Very low | 32.3 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | trans | -65.1 | 122.6 | 159.7 | -75.8 | -87.8 | 0 | 0 | 0 | 109.2 | ||||
| 1539 | F | 30.1 | Very low | 34.3 | Very low | 166 Ų | 166 | 121 Ų | 121 | 73% | 0.728 | 61% | 0.608 | S | S | * | * | trans | -140.5 | 133 | 161.6 | -105.6 | -85.7 | 0 | 0 | 0 | 109.4 | R1537 S1541 | R1537-F1539 PolarHBondContact O-N 3.08Å; F1539-S1541 PolarHBondContact O-N 3.14Å | ||
| 1540 | N | 25 | Very low | 36.9 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 90% | 0.904 | 59% | 0.593 | S | S | * | * | trans | -79.1 | 108.7 | 179.4 | -68.3 | -18.3 | 0 | 0 | 0 | 109.8 | ||||
| 1541 | S | 25.1 | Very low | 39.1 | Very low | 94 Ų | 94 | 114 Ų | 114 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | trans | -153.7 | 67.6 | 168.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | F1539 T1543 | F1539-S1541 PolarHBondContact O-N 3.14Å; S1541-T1543 PolarHBondContact O-N 3Å | ||
| 1542 | S | 26.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 109.8 Ų | 109.8 | 85% | 0.853 | 55% | 0.551 | S | S | * | * | trans | -77.7 | 67.7 | 169.1 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | Q1544 | S1542-Q1544 VanDerWaalsContact C-N 3.34Å; S1542-Q1544 PolarHBondContact O-N 3.31Å | ||
| 1543 | T | 27.6 | Very low | 44.6 | Very low | 102 Ų | 102 | 105 Ų | 105 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | trans | -70.5 | 92.7 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | S1541 Y1545 | S1541-T1543 PolarHBondContact O-N 3Å; T1543-Y1545 WeakPolarHBondContact O-CD2 3.47Å; T1543-Y1545 PolarHBondContact O-N 3.33Å; T1543-Y1545 VanDerWaalsContact O-N 3.12Å | ||
| 1544 | Q | 29.7 | Very low | 47.4 | Very low | 156 Ų | 156 | 102.8 Ų | 102.8 | 73% | 0.729 | 52% | 0.515 | S | S | * | . | trans | -71.5 | 102.6 | -177.9 | -169.5 | 168.6 | 5.3 | 0 | 0 | 109.8 | S1542 H1546 | S1542-Q1544 VanDerWaalsContact C-N 3.34Å; S1542-Q1544 PolarHBondContact O-N 3.31Å; Q1544-H1546 PolarHBondContact O-CD2 2.82Å; Q1544-H1546 PolarHBondContact O-N 2.9Å | ||
| 1545 | Y | 30.7 | Very low | 50.1 | Low | 198 Ų | 198 | 100.4 Ų | 100.4 | 78% | 0.776 | 50% | 0.502 | S | S | * | . | trans | -65.4 | 101.1 | 177.1 | -74.7 | -88.7 | 0 | 0 | 0 | 110.2 | T1543 H1547 | T1543-Y1545 WeakPolarHBondContact O-CD2 3.47Å; T1543-Y1545 PolarHBondContact O-N 3.33Å; T1543-Y1545 VanDerWaalsContact O-N 3.12Å; Y1545-H1547 PolarHBondContact O-N 2.76Å | ||
| 1546 | H | 35.2 | Very low | 53.1 | Low | 160 Ų | 160 | 96.5 Ų | 96.5 | 74% | 0.741 | 47% | 0.474 | S | S | * | . | trans | -72.9 | 89.1 | 177.2 | -82.7 | -83.6 | 0 | 0 | 0 | 111.3 | Q1544 | Q1544-H1546 PolarHBondContact O-CD2 2.82Å; Q1544-H1546 PolarHBondContact O-N 2.9Å | ||
| 1547 | H | 51.5 | Low | 56 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | trans | -64.7 | 136.2 | 162.7 | -73 | -80.6 | 0 | 0 | 0 | 110.3 | Y1545 | Y1545-H1547 PolarHBondContact O-N 2.76Š| ||
| 1548 | H | 64.5 | Low | 58.7 | Low | 111 Ų | 111 | 83.7 Ų | 83.7 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | trans | -65 | 127 | 175.6 | -133.6 | -56.3 | 0 | 0 | 0 | 109.2 | W1550 | H1548-W1550 PolarHBondContact O-N 2.92Å; H1548-W1550 VanDerWaalsContact O-N 3.07Å | ||
| 1549 | P | 75.3 | Confident | 61.7 | Low | 17 Ų | 17 | 75.7 Ų | 75.7 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -74.6 | -0.4 | -167.5 | 24.5 | -32.7 | 0 | 0 | 0 | 115.9 | Y1573 H1574 H1575 Q1600 | P1549-Y1573 HydrophobicContact CB-CE2 4.43Å; P1549-H1574 PolarHBondContact O-N 2.94Å; P1549-H1575 HydrophobicContact CB-CB 4.17Å; P1549-H1575 WeakPolarHBondContact CB-ND1 3.49Å; P1549-Q1600 HydrophobicContact CG-CB 4.4Å; P1549-Q1600 HydrophobicContact CG-CG 4.36Å |
| 1550 | W | 82.6 | Confident | 64.3 | Low | 21 Ų | 21 | 72 Ų | 72 | 8% | 0.08 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.6 | 169.2 | 60.8 | 86.7 | 0 | 0 | 0 | 112.2 | H1548 T1572 Y1573 T1603 F1604 H1607 | H1548-W1550 PolarHBondContact O-N 2.92Å; H1548-W1550 VanDerWaalsContact O-N 3.07Å; W1550-T1572 CarbonylContact C-O 3.56Å; W1550-T1572 WeakPolarHBondContact CA-O 3.44Å; W1550-T1572 WeakPolarHBondContact CB-O 3.3Å; W1550-Y1573 HydrophobicContact CE3-CD2 4.41Å; W1550-T1603 HydrophobicContact CH2-CG2 3.96Å; W1550-F1604 HydrophobicContact CB-CD2 3.89Å; W1550-F1604 HydrophobicContact CB-CE2 3.76Å; W1550-F1604 AromaticContact CD2-CD2 3.54Å; W1550-F1604 HydrophobicContact CD2-CD2 3.54Å; W1550-F1604 HydrophobicContact CD2-CE2 4.19Å; W1550-F1604 HydrophobicContact CE3-CB 3.83Å; W1550-F1604 AromaticContact CE3-CD2 3.58Å; W1550-F1604 HydrophobicContact CE3-CD2 3.58Å; W1550-F1604 HydrophobicContact CE3-CG 4.13Å; W1550-F1604 AromaticContact CG-CD2 3.68Å; W1550-F1604 HydrophobicContact CG-CD2 3.68Å; W1550-F1604 AromaticContact CG-CE2 3.82Å; W1550-F1604 HydrophobicContact CG-CE2 3.82Å; W1550-F1604 HydrophobicContact CZ3-CB 3.88Å; W1550-F1604 HydrophobicContact CZ3-CD2 4.31Å; W1550-H1607 AromaticContact CE2-CD2 3.58Å; W1550-H1607 AromaticContact CE2-CG 3.85Å; W1550-H1607 AromaticContact CE2-NE2 3.93Å; W1550-H1607 HydrophobicContact CH2-CB 4.21Å; W1550-H1607 HydrophobicContact CZ2-CB 3.75Å; W1550-H1607 AromaticContact CZ2-CD2 3.71Å; W1550-H1607 AromaticContact CZ2-CG 3.48Å; W1550-H1607 VanDerWaalsContact CZ2-CG 3.48Å; W1550-H1607 AromaticContact CZ2-ND1 3.75Å; W1550-H1607 AromaticContact NE1-CD2 3.14Å; W1550-H1607 PolarHBondContact NE1-CD2 2.8Å; W1550-H1607 AromaticContact NE1-CG 3.88Å; W1550-H1607 AromaticContact NE1-NE2 3.24Å; W1550-H1607 PolarHBondContact NE1-NE2 3.13Å |
| 1551 | T | 80.9 | Confident | 66.9 | Low | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 132.6 | 166 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | I1512 Q1514 R1553 F1571 T1572 H1574 | I1512-T1551 HydrophobicContact CD1-CG2 3.76Å; I1512-T1551 HydrophobicContact CG1-CG2 3.73Å; Q1514-T1551 HydrophobicContact CG-CG2 3.96Å; T1551-R1553 HydrophobicContact CG2-CG 3.97Å; T1551-F1571 WeakPolarHBondContact O-CA 3.26Å; T1551-T1572 PolarHBondContact N-O 3.49Å; T1551-T1572 PolarHBondContact O-N 3.44Å; T1551-H1574 VanDerWaalsContact CB-NE2 3.26Å; T1551-H1574 WeakPolarHBondContact CB-NE2 3.42Å; T1551-H1574 PolarHBondContact N-CD2 3.48Å; T1551-H1574 PolarHBondContact N-NE2 3.18Å; T1551-H1574 PolarHBondContact OG1-NE2 3.39Å |
| 1552 | E | 87.4 | Confident | 69.7 | Low | 25 Ų | 25 | 69.4 Ų | 69.4 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.6 | 169.1 | 172.5 | -169.8 | 174.7 | 0 | 0 | 109.4 | I1512 K1513 V1569 F1571 | I1512-E1552 WeakPolarHBondContact CA-O 3.44Å; K1513-E1552 HydrophobicContact CB-CB 4.12Å; K1513-E1552 WeakPolarHBondContact CD-OE2 3.36Å; K1513-E1552 PolarHBondContact N-O 3.11Å; K1513-E1552 IonicContact NZ-OE2 2.72Å; K1513-E1552 PolarHBondContact NZ-OE2 2.96Å; E1552-V1569 HydrophobicContact CG-CG1 4.18Å; E1552-F1571 HydrophobicContact CB-CD1 3.93Å; E1552-F1571 HydrophobicContact CB-CE1 3.77Å; E1552-F1571 HydrophobicContact CG-CD1 4.21Å; E1552-F1571 HydrophobicContact CG-CE1 3.68Å; E1552-F1571 HydrophobicContact CG-CZ 4.41Å |
| 1553 | R | 88 | Confident | 72.2 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.4 | 175.6 | -63 | -176.8 | -170.9 | 80.2 | -0.3 | 110.5 | N1492 L1509 S1511 I1512 T1551 I1555 H1570 T1572 | N1492-R1553 PolarHBondContact OD1-NE 3.03Å; N1492-R1553 PolarHBondContact OD1-NH2 3.3Å; L1509-R1553 HydrophobicContact CD1-CB 3.69Å; L1509-R1553 HydrophobicContact CD1-CG 3.93Å; S1511-R1553 WeakPolarHBondContact O-CA 3.35Å; I1512-R1553 HydrophobicContact CB-CG 4.41Å; I1512-R1553 HydrophobicContact CD1-CG 4Å; I1512-R1553 HydrophobicContact CG1-CG 3.98Å; T1551-R1553 HydrophobicContact CG2-CG 3.97Å; R1553-I1555 HydrophobicContact CB-CD1 4.13Å; R1553-I1555 HydrophobicContact CB-CG1 3.97Å; R1553-H1570 HydrophobicContact CB-CB 4.3Å; R1553-H1570 PolarHBondContact N-O 3.42Å; R1553-H1570 PolarHBondContact O-N 3.18Å; R1553-T1572 PolarHBondContact NH1-OG1 3.02Å |
| 1554 | I | 89.2 | Confident | 74.7 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.9 | 164.6 | -55.8 | -175.1 | 0 | 0 | 0 | 107.6 | Q1510 S1511 V1569 | Q1510-I1554 HydrophobicContact CB-CB 4.37Å; Q1510-I1554 HydrophobicContact CB-CG2 4.14Å; Q1510-I1554 PolarHBondContact N-O 3.44Å; S1511-I1554 PolarHBondContact N-O 3.08Å; S1511-I1554 PolarHBondContact O-N 2.94Å; S1511-I1554 WeakPolarHBondContact OG-CB 3.35Å; S1511-I1554 WeakPolarHBondContact OG-CD1 3.21Å; S1511-I1554 WeakPolarHBondContact OG-CG1 3.49Å; I1554-V1569 HydrophobicContact CG1-CG2 4.43Å |
| 1555 | I | 89.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.2 | -174.9 | -61.5 | -178.1 | 0 | 0 | 0 | 109 | W1428 L1489 I1507 R1508 L1509 R1553 V1557 S1567 L1568 H1570 | W1428-I1555 HydrophobicContact CH2-CD1 4.42Å; W1428-I1555 HydrophobicContact CH2-CG2 4.4Å; L1489-I1555 HydrophobicContact CD2-CD1 3.46Å; L1489-I1555 VanDerWaalsContact CD2-CD1 3.46Å; I1507-I1555 HydrophobicContact CG2-CG2 3.42Å; I1507-I1555 VanDerWaalsContact CG2-CG2 3.42Å; R1508-I1555 CarbonylContact O-C 3.54Å; R1508-I1555 WeakPolarHBondContact O-CA 3.38Å; L1509-I1555 HydrophobicContact CD1-CG1 4.14Å; R1553-I1555 HydrophobicContact CB-CD1 4.13Å; R1553-I1555 HydrophobicContact CB-CG1 3.97Å; I1555-V1557 HydrophobicContact CG2-CG2 4.47Å; I1555-S1567 CarbonylContact O-C 3.3Å; I1555-S1567 WeakPolarHBondContact O-CA 3.49Å; I1555-L1568 HydrophobicContact CB-CD1 3.8Å; I1555-L1568 HydrophobicContact CB-CG 4.09Å; I1555-L1568 HydrophobicContact CG2-CD1 4.39Å; I1555-L1568 HydrophobicContact CG2-CG 4.48Å; I1555-L1568 PolarHBondContact N-O 3.25Å; I1555-L1568 PolarHBondContact O-N 3.44Å; I1555-H1570 HydrophobicContact CD1-CB 3.6Å; I1555-H1570 HydrophobicContact CG1-CB 4.27Å |
| 1556 | T | 89.5 | Confident | 79.7 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.9 | 166.6 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | I1507 R1508 Q1510 T1565 R1566 S1567 | I1507-T1556 CarbonylContact C-O 3.57Å; I1507-T1556 WeakPolarHBondContact CA-O 3.5Å; R1508-T1556 PolarHBondContact N-O 2.88Å; R1508-T1556 PolarHBondContact O-N 3.22Å; Q1510-T1556 WeakPolarHBondContact CG-OG1 3.41Å; Q1510-T1556 PolarHBondContact NE2-OG1 3.46Å; T1556-T1565 HydrophobicContact CG2-CG2 3.35Å; T1556-R1566 CarbonylContact C-O 3.48Å; T1556-R1566 WeakPolarHBondContact CA-O 3.31Å; T1556-S1567 PolarHBondContact OG1-OG 3.13Å; T1556-S1567 VanDerWaalsContact OG1-OG 3.12Å |
| 1557 | V | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.3 | 170.1 | -169.9 | 0 | 0 | 0 | 0 | 108 | W1428 I1431 L1432 L1505 E1506 I1555 T1565 R1566 L1568 | W1428-V1557 HydrophobicContact CD2-CG2 4.37Å; W1428-V1557 HydrophobicContact CE3-CG2 3.53Å; W1428-V1557 HydrophobicContact CZ3-CG2 3.73Å; I1431-V1557 HydrophobicContact CG2-CG2 4.24Å; L1432-V1557 HydrophobicContact CD1-CB 4.11Å; L1432-V1557 HydrophobicContact CD1-CG1 3.98Å; L1505-V1557 HydrophobicContact CD2-CG1 4.15Å; E1506-V1557 WeakPolarHBondContact O-CA 3.29Å; I1555-V1557 HydrophobicContact CG2-CG2 4.47Å; V1557-T1565 CarbonylContact O-C 3.36Å; V1557-T1565 WeakPolarHBondContact O-CA 3.31Å; V1557-R1566 PolarHBondContact N-O 3.08Å; V1557-R1566 PolarHBondContact O-N 3.09Å; V1557-L1568 HydrophobicContact CG2-CD2 3.8Å |
| 1558 | Q | 89.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.9 | 177.7 | 174.8 | 164.6 | 88.4 | 0 | 0 | 110.3 | L1505 E1506 F1560 T1564 T1565 | L1505-Q1558 WeakPolarHBondContact CA-O 3.46Å; E1506-Q1558 PolarHBondContact N-O 2.92Å; E1506-Q1558 PolarHBondContact O-N 3.22Å; Q1558-F1560 HydrophobicContact CG-CD1 4.42Å; Q1558-T1564 WeakPolarHBondContact CA-O 3.4Å; Q1558-T1565 HydrophobicContact CB-CG2 4.28Å; Q1558-T1565 PolarHBondContact NE2-OG1 2.66Å |
| 1559 | D | 88.2 | Confident | 84.9 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.3 | 162.2 | 170 | 31.9 | 0 | 0 | 0 | 109.8 | L1432 N1504 L1505 N1561 T1562 K1563 T1564 | L1432-D1559 HydrophobicContact CD2-CB 3.77Å; N1504-D1559 WeakPolarHBondContact CB-OD1 3.19Å; L1505-D1559 HydrophobicContact CD2-CB 3.92Å; D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 3.44Å; D1559-N1561 WeakPolarHBondContact OD1-CB 3.49Å; D1559-N1561 PolarHBondContact OD1-N 3.44Å; D1559-T1562 VanDerWaalsContact OD2-CB 3.25Å; D1559-T1562 WeakPolarHBondContact OD2-CB 3.3Å; D1559-T1562 VanDerWaalsContact OD2-CG2 3.26Å; D1559-T1562 WeakPolarHBondContact OD2-CG2 3.46Å; D1559-T1562 PolarHBondContact OD2-N 3.13Å; D1559-T1562 PolarHBondContact OD2-OG1 3.33Å; D1559-K1563 CarbonylContact O-C 3.41Å; D1559-K1563 WeakPolarHBondContact O-CA 3.41Å; D1559-K1563 PolarHBondContact O-N 2.85Å; D1559-T1564 PolarHBondContact N-O 3.3Å |
| 1560 | F | 84.8 | Confident | 85.4 | Confident | 89 Ų | 89 | 40 Ų | 40 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | 177.8 | -68.8 | -57.8 | 0 | 0 | 0 | 113.9 | N1504 E1506 Q1558 | N1504-F1560 HydrophobicContact CB-CB 4.44Å; N1504-F1560 VanDerWaalsContact O-CD2 3.31Å; N1504-F1560 WeakPolarHBondContact O-CD2 3.19Å; N1504-F1560 PolarHBondContact O-N 2.76Å; E1506-F1560 HydrophobicContact CB-CE2 3.67Å; E1506-F1560 HydrophobicContact CB-CZ 3.69Å; E1506-F1560 HydrophobicContact CG-CZ 4.4Å; Q1558-F1560 HydrophobicContact CG-CD1 4.42Å |
| 1561 | N | 80.9 | Confident | 85.6 | Confident | 121 Ų | 121 | 39 Ų | 39 | 65% | 0.647 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -54.9 | -179.8 | -86.7 | 5.1 | 0 | 0 | 0 | 112.2 | N1504 D1559 | N1504-N1561 PolarHBondContact ND2-ND2 3.22Å; N1504-N1561 VanDerWaalsContact ND2-ND2 3.13Å; D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 3.44Å; D1559-N1561 WeakPolarHBondContact OD1-CB 3.49Å; D1559-N1561 PolarHBondContact OD1-N 3.44Å |
| 1562 | T | 82.1 | Confident | 85.6 | Confident | 87 Ų | 87 | 38.8 Ų | 38.8 | 53% | 0.534 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.2 | 180 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | D1559 T1564 | D1559-T1562 VanDerWaalsContact OD2-CB 3.25Å; D1559-T1562 WeakPolarHBondContact OD2-CB 3.3Å; D1559-T1562 VanDerWaalsContact OD2-CG2 3.26Å; D1559-T1562 WeakPolarHBondContact OD2-CG2 3.46Å; D1559-T1562 PolarHBondContact OD2-N 3.13Å; D1559-T1562 PolarHBondContact OD2-OG1 3.33Å; T1562-T1564 WeakPolarHBondContact CB-OG1 3.49Å; T1562-T1564 PolarHBondContact O-N 3.28Å; T1562-T1564 VanDerWaalsContact O-N 3.14Å; T1562-T1564 VanDerWaalsContact OG1-CB 3.29Å; T1562-T1564 WeakPolarHBondContact OG1-CB 3.36Å; T1562-T1564 PolarHBondContact OG1-N 2.91Å; T1562-T1564 PolarHBondContact OG1-OG1 2.69Å |
| 1563 | K | 79.7 | Confident | 85.2 | Confident | 145 Ų | 145 | 37.6 Ų | 37.6 | 63% | 0.63 | 20% | 0.198 | S | C | * | . | trans | 62 | 2.2 | -166.5 | -58.9 | -69.1 | -176.3 | 177.2 | 0 | 114.3 | D1559 T1565 | D1559-K1563 CarbonylContact O-C 3.41Å; D1559-K1563 WeakPolarHBondContact O-CA 3.41Å; D1559-K1563 PolarHBondContact O-N 2.85Å; K1563-T1565 PolarHBondContact O-N 3.37Å; K1563-T1565 PolarHBondContact O-OG1 2.97Å | ||
| 1564 | T | 79.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 34% | 0.337 | 20% | 0.201 | S | C | . | . | trans | -59.8 | 127.1 | 178.5 | -50 | 0 | 0 | 0 | 0 | 109.4 | L1432 Q1558 D1559 T1562 | L1432-T1564 HydrophobicContact CD2-CG2 4.33Å; L1432-T1564 HydrophobicContact CG-CG2 4.24Å; Q1558-T1564 WeakPolarHBondContact CA-O 3.4Å; D1559-T1564 PolarHBondContact N-O 3.3Å; T1562-T1564 WeakPolarHBondContact CB-OG1 3.49Å; T1562-T1564 PolarHBondContact O-N 3.28Å; T1562-T1564 VanDerWaalsContact O-N 3.14Å; T1562-T1564 VanDerWaalsContact OG1-CB 3.29Å; T1562-T1564 WeakPolarHBondContact OG1-CB 3.36Å; T1562-T1564 PolarHBondContact OG1-N 2.91Å; T1562-T1564 PolarHBondContact OG1-OG1 2.69Å | ||
| 1565 | T | 84.7 | Confident | 83.6 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 44% | 0.436 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.8 | -173.1 | -55.2 | 0 | 0 | 0 | 0 | 108.4 | T1556 V1557 Q1558 K1563 | T1556-T1565 HydrophobicContact CG2-CG2 3.35Å; V1557-T1565 CarbonylContact O-C 3.36Å; V1557-T1565 WeakPolarHBondContact O-CA 3.31Å; Q1558-T1565 HydrophobicContact CB-CG2 4.28Å; Q1558-T1565 PolarHBondContact NE2-OG1 2.66Å; K1563-T1565 PolarHBondContact O-N 3.37Å; K1563-T1565 PolarHBondContact O-OG1 2.97Å |
| 1566 | R | 81.9 | Confident | 82.5 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.6 | -179.1 | 171.9 | 168.7 | -99.6 | 175.2 | -0.9 | 110.4 | I1431 L1432 Q1434 N1435 T1556 V1557 I1619 | I1431-R1566 WeakPolarHBondContact O-CD 3.08Å; I1431-R1566 PolarHBondContact O-NH1 3.15Å; L1432-R1566 HydrophobicContact CD1-CB 4.3Å; Q1434-R1566 PolarHBondContact O-NH1 3.31Å; N1435-R1566 PolarHBondContact OD1-NH2 3.45Å; T1556-R1566 CarbonylContact C-O 3.48Å; T1556-R1566 WeakPolarHBondContact CA-O 3.31Å; V1557-R1566 PolarHBondContact N-O 3.08Å; V1557-R1566 PolarHBondContact O-N 3.09Å; R1566-I1619 PolarHBondContact NE-O 3.35Å; R1566-I1619 PolarHBondContact NH2-O 3.46Å; R1566-I1619 VanDerWaalsContact NH2-O 3.08Å |
| 1567 | S | 85.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.8 | 167.2 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | I1555 T1556 | I1555-S1567 CarbonylContact O-C 3.3Å; I1555-S1567 WeakPolarHBondContact O-CA 3.49Å; T1556-S1567 PolarHBondContact OG1-OG 3.13Å; T1556-S1567 VanDerWaalsContact OG1-OG 3.12Å |
| 1568 | L | 87.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163 | -175.2 | 65.6 | 92 | 0 | 0 | 0 | 110.2 | W1428 I1431 I1555 V1557 H1570 P1621 V1623 | W1428-L1568 HydrophobicContact CZ3-CD2 3.81Å; I1431-L1568 HydrophobicContact CG2-CD2 3.34Å; I1555-L1568 HydrophobicContact CB-CD1 3.8Å; I1555-L1568 HydrophobicContact CB-CG 4.09Å; I1555-L1568 HydrophobicContact CG2-CD1 4.39Å; I1555-L1568 HydrophobicContact CG2-CG 4.48Å; I1555-L1568 PolarHBondContact N-O 3.25Å; I1555-L1568 PolarHBondContact O-N 3.44Å; V1557-L1568 HydrophobicContact CG2-CD2 3.8Å; L1568-H1570 HydrophobicContact CD1-CB 3.95Å; L1568-P1621 HydrophobicContact CB-CG 4.06Å; L1568-P1621 VanDerWaalsContact CB-O 3.29Å; L1568-P1621 WeakPolarHBondContact CB-O 3.5Å; L1568-V1623 HydrophobicContact CD1-CB 4.46Å; L1568-V1623 HydrophobicContact CD1-CG2 3.92Å |
| 1569 | V | 86.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.1 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | E1552 I1554 F1571 Y1611 P1621 I1622 V1623 | E1552-V1569 HydrophobicContact CG-CG1 4.18Å; I1554-V1569 HydrophobicContact CG1-CG2 4.43Å; V1569-F1571 HydrophobicContact CG1-CD2 4.23Å; V1569-F1571 HydrophobicContact CG1-CE1 4.24Å; V1569-F1571 HydrophobicContact CG1-CE2 3.75Å; V1569-F1571 HydrophobicContact CG1-CZ 3.76Å; V1569-Y1611 HydrophobicContact CB-CE1 4.35Å; V1569-Y1611 HydrophobicContact CG1-CE2 4.29Å; V1569-Y1611 HydrophobicContact CG2-CD1 4.35Å; V1569-Y1611 HydrophobicContact CG2-CE1 3.59Å; V1569-Y1611 HydrophobicContact CG2-CE2 4.41Å; V1569-P1621 PolarHBondContact N-O 2.9Å; V1569-I1622 CarbonylContact O-C 3.55Å; V1569-I1622 WeakPolarHBondContact O-CA 3.34Å; V1569-V1623 PolarHBondContact O-N 3.14Å |
| 1570 | H | 87.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111.6 | -178.4 | 178.5 | -77.7 | 0 | 0 | 0 | 108.7 | Y1488 R1553 I1555 L1568 T1572 V1623 V1625 | Y1488-H1570 AromaticContact CE2-NE2 3.71Å; Y1488-H1570 AromaticContact CZ-NE2 3.89Å; Y1488-H1570 PolarHBondContact OH-NE2 3.15Å; Y1488-H1570 VanDerWaalsContact OH-NE2 3.15Å; R1553-H1570 HydrophobicContact CB-CB 4.3Å; R1553-H1570 PolarHBondContact N-O 3.42Å; R1553-H1570 PolarHBondContact O-N 3.18Å; I1555-H1570 HydrophobicContact CD1-CB 3.6Å; I1555-H1570 HydrophobicContact CG1-CB 4.27Å; L1568-H1570 HydrophobicContact CD1-CB 3.95Å; H1570-T1572 PolarHBondContact CE1-OG1 3.23Å; H1570-T1572 VanDerWaalsContact CE1-OG1 3.26Å; H1570-V1623 WeakPolarHBondContact CA-O 3.45Å; H1570-V1623 HydrophobicContact CB-CB 4.49Å; H1570-V1625 VanDerWaalsContact NE2-CG2 3.3Å; H1570-V1625 WeakPolarHBondContact NE2-CG2 3.45Å |
| 1571 | F | 86.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.4 | 174.4 | -69.2 | -69.6 | 0 | 0 | 0 | 109.5 | T1551 E1552 V1569 F1604 H1607 V1608 Y1611 I1622 V1623 V1625 | T1551-F1571 WeakPolarHBondContact O-CA 3.26Å; E1552-F1571 HydrophobicContact CB-CD1 3.93Å; E1552-F1571 HydrophobicContact CB-CE1 3.77Å; E1552-F1571 HydrophobicContact CG-CD1 4.21Å; E1552-F1571 HydrophobicContact CG-CE1 3.68Å; E1552-F1571 HydrophobicContact CG-CZ 4.41Å; V1569-F1571 HydrophobicContact CG1-CD2 4.23Å; V1569-F1571 HydrophobicContact CG1-CE1 4.24Å; V1569-F1571 HydrophobicContact CG1-CE2 3.75Å; V1569-F1571 HydrophobicContact CG1-CZ 3.76Å; F1571-F1604 HydrophobicContact CB-CE2 3.85Å; F1571-F1604 HydrophobicContact CB-CZ 3.89Å; F1571-F1604 HydrophobicContact CG-CE2 4.33Å; F1571-H1607 AromaticContact CE1-CD2 3.5Å; F1571-H1607 AromaticContact CE1-NE2 3.64Å; F1571-H1607 AromaticContact CZ-CD2 3.9Å; F1571-V1608 HydrophobicContact CD2-CG2 4.02Å; F1571-V1608 HydrophobicContact CE2-CG2 4.34Å; F1571-Y1611 HydrophobicContact CE2-CD2 4.41Å; F1571-Y1611 HydrophobicContact CE2-CG 4.32Å; F1571-Y1611 AromaticContact CZ-CD2 3.72Å; F1571-Y1611 HydrophobicContact CZ-CD2 3.72Å; F1571-Y1611 HydrophobicContact CZ-CE2 4.47Å; F1571-Y1611 HydrophobicContact CZ-CG 4.06Å; F1571-I1622 HydrophobicContact CD2-CG2 3.59Å; F1571-I1622 HydrophobicContact CE2-CG2 3.62Å; F1571-V1623 PolarHBondContact N-O 3.28Å; F1571-V1625 WeakPolarHBondContact O-CA 3.47Å; F1571-V1625 WeakPolarHBondContact O-CB 3.15Å; F1571-V1625 PolarHBondContact O-N 3.31Å |
| 1572 | T | 81 | Confident | 74 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.4 | 168.3 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | W1550 T1551 R1553 H1570 H1574 V1625 E1627 | W1550-T1572 CarbonylContact C-O 3.56Å; W1550-T1572 WeakPolarHBondContact CA-O 3.44Å; W1550-T1572 WeakPolarHBondContact CB-O 3.3Å; T1551-T1572 PolarHBondContact N-O 3.49Å; T1551-T1572 PolarHBondContact O-N 3.44Å; R1553-T1572 PolarHBondContact NH1-OG1 3.02Å; H1570-T1572 PolarHBondContact CE1-OG1 3.23Å; H1570-T1572 VanDerWaalsContact CE1-OG1 3.26Å; T1572-H1574 WeakPolarHBondContact CG2-CE1 3.38Å; T1572-H1574 PolarHBondContact O-CD2 2.98Å; T1572-H1574 VanDerWaalsContact O-CD2 3.31Å; T1572-H1574 PolarHBondContact O-NE2 3.46Å; T1572-V1625 CarbonylContact C-O 3.42Å; T1572-V1625 VanDerWaalsContact CA-O 3.3Å; T1572-V1625 WeakPolarHBondContact CA-O 3.47Å; T1572-V1625 HydrophobicContact CG2-CG1 4.39Å; T1572-E1627 HydrophobicContact CG2-CG 3.76Å; T1572-E1627 WeakPolarHBondContact CG2-OE1 3.45Å; T1572-E1627 WeakPolarHBondContact CG2-OE2 3.44Å |
| 1573 | Y | 79.5 | Confident | 72 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.2 | 170.4 | -172.3 | -101.3 | 0 | 0 | 0 | 111 | P1549 W1550 H1575 F1577 L1601 F1604 V1625 C1626 E1627 | P1549-Y1573 HydrophobicContact CB-CE2 4.43Å; W1550-Y1573 HydrophobicContact CE3-CD2 4.41Å; Y1573-H1575 WeakPolarHBondContact CD1-O 3.43Å; Y1573-H1575 HydrophobicContact CE1-CB 3.88Å; Y1573-H1575 WeakPolarHBondContact CE1-O 3.43Å; Y1573-H1575 HydrophobicContact CE2-CB 4.37Å; Y1573-F1577 HydrophobicContact CD1-CD2 4.08Å; Y1573-F1577 HydrophobicContact CD1-CE2 4.05Å; Y1573-F1577 AromaticContact CE1-CD2 3.99Å; Y1573-F1577 HydrophobicContact CE1-CD2 3.99Å; Y1573-F1577 HydrophobicContact CE1-CE2 4.22Å; Y1573-L1601 HydrophobicContact CE1-CD1 4.35Å; Y1573-L1601 HydrophobicContact CE2-CD1 4.44Å; Y1573-L1601 PolarHBondContact OH-N 3.19Å; Y1573-F1604 HydrophobicContact CD2-CB 3.8Å; Y1573-F1604 AromaticContact CD2-CD1 3.76Å; Y1573-F1604 HydrophobicContact CD2-CD1 3.76Å; Y1573-F1604 AromaticContact CD2-CD2 3.99Å; Y1573-F1604 HydrophobicContact CD2-CD2 3.99Å; Y1573-F1604 HydrophobicContact CD2-CE1 4.31Å; Y1573-F1604 HydrophobicContact CD2-CE2 4.5Å; Y1573-F1604 AromaticContact CD2-CG 3.57Å; Y1573-F1604 HydrophobicContact CD2-CG 3.57Å; Y1573-F1604 HydrophobicContact CE2-CB 3.88Å; Y1573-F1604 HydrophobicContact CE2-CD1 4.48Å; Y1573-F1604 HydrophobicContact CE2-CG 4.18Å; Y1573-F1604 HydrophobicContact CG-CD1 4.12Å; Y1573-F1604 HydrophobicContact CG-CE1 4.3Å; Y1573-F1604 HydrophobicContact CG-CG 4.35Å; Y1573-V1625 PolarHBondContact N-O 3.43Å; Y1573-C1626 HydrophobicContact CD1-CB 4.4Å; Y1573-E1627 PolarHBondContact O-N 2.96Å; Y1573-E1627 VanDerWaalsContact O-N 3.15Å |
| 1574 | H | 72.2 | Confident | 70.2 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.069 | 24% | 0.242 | C | C | . | . | trans | -111 | 0.9 | -170.1 | -56.3 | -66.4 | 0 | 0 | 0 | 114 | P1549 T1551 T1572 E1627 Y1628 | P1549-H1574 PolarHBondContact O-N 2.94Å; T1551-H1574 VanDerWaalsContact CB-NE2 3.26Å; T1551-H1574 WeakPolarHBondContact CB-NE2 3.42Å; T1551-H1574 PolarHBondContact N-CD2 3.48Å; T1551-H1574 PolarHBondContact N-NE2 3.18Å; T1551-H1574 PolarHBondContact OG1-NE2 3.39Å; T1572-H1574 WeakPolarHBondContact CG2-CE1 3.38Å; T1572-H1574 PolarHBondContact O-CD2 2.98Å; T1572-H1574 VanDerWaalsContact O-CD2 3.31Å; T1572-H1574 PolarHBondContact O-NE2 3.46Å; H1574-E1627 IonicContact CE1-OE2 2.68Å; H1574-E1627 PolarHBondContact CE1-OE2 2.92Å; H1574-E1627 IonicContact CG-OE2 3.07Å; H1574-E1627 IonicContact ND1-OE2 3.83Å; H1574-E1627 PolarHBondContact ND1-OE2 3.11Å; H1574-Y1628 VanDerWaalsContact C-CE2 3.44Å; H1574-Y1628 WeakPolarHBondContact O-CE2 3.38Å; H1574-Y1628 PolarHBondContact O-OH 3.14Å | ||
| 1575 | H | 70.4 | Confident | 68.1 | Low | 53 Ų | 53 | 44.6 Ų | 44.6 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -96.4 | 159.9 | 177.9 | -94.5 | 55.5 | 0 | 0 | 0 | 112.4 | P1549 Y1573 F1577 Q1600 Y1628 | P1549-H1575 HydrophobicContact CB-CB 4.17Å; P1549-H1575 WeakPolarHBondContact CB-ND1 3.49Å; Y1573-H1575 WeakPolarHBondContact CD1-O 3.43Å; Y1573-H1575 HydrophobicContact CE1-CB 3.88Å; Y1573-H1575 WeakPolarHBondContact CE1-O 3.43Å; Y1573-H1575 HydrophobicContact CE2-CB 4.37Å; H1575-F1577 PolarHBondContact O-N 3.33Å; H1575-Q1600 PolarHBondContact CD2-OE1 3.04Å; H1575-Q1600 PolarHBondContact NE2-OE1 3.33Å; H1575-Y1628 WeakPolarHBondContact O-CD2 3.15Å |
| 1576 | P | 67.1 | Low | 65.7 | Low | 60 Ų | 60 | 45.9 Ų | 45.9 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 139.5 | 175.1 | -21.7 | 33.2 | 0 | 0 | 0 | 111 | ||
| 1577 | F | 69.5 | Low | 63.5 | Low | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -78 | 141.9 | 168.8 | -116.8 | -110.9 | 0 | 0 | 0 | 109.9 | Y1573 H1575 L1579 L1601 C1626 L1632 I1635 | Y1573-F1577 HydrophobicContact CD1-CD2 4.08Å; Y1573-F1577 HydrophobicContact CD1-CE2 4.05Å; Y1573-F1577 AromaticContact CE1-CD2 3.99Å; Y1573-F1577 HydrophobicContact CE1-CD2 3.99Å; Y1573-F1577 HydrophobicContact CE1-CE2 4.22Å; H1575-F1577 PolarHBondContact O-N 3.33Å; F1577-L1579 VanDerWaalsContact C-N 3.33Å; F1577-L1579 HydrophobicContact CB-CG 4.41Å; F1577-L1579 PolarHBondContact O-N 3.39Å; F1577-L1601 HydrophobicContact CD1-CD2 3.61Å; F1577-L1601 HydrophobicContact CD2-CD1 4.44Å; F1577-L1601 HydrophobicContact CD2-CD2 4.13Å; F1577-L1601 HydrophobicContact CE1-CD1 4.35Å; F1577-L1601 HydrophobicContact CE1-CD2 3.32Å; F1577-L1601 HydrophobicContact CE1-CG 4.48Å; F1577-L1601 HydrophobicContact CE2-CD1 3.63Å; F1577-L1601 HydrophobicContact CE2-CD2 3.84Å; F1577-L1601 HydrophobicContact CE2-CG 4.42Å; F1577-L1601 HydrophobicContact CG-CD2 4.05Å; F1577-L1601 HydrophobicContact CZ-CD1 3.6Å; F1577-L1601 HydrophobicContact CZ-CD2 3.45Å; F1577-L1601 VanDerWaalsContact CZ-CD2 3.45Å; F1577-L1601 HydrophobicContact CZ-CG 4.19Å; F1577-C1626 HydrophobicContact CE2-CB 4.05Å; F1577-L1632 HydrophobicContact CB-CD1 3.75Å; F1577-L1632 HydrophobicContact CB-CD2 4.18Å; F1577-L1632 HydrophobicContact CD1-CB 4.18Å; F1577-L1632 HydrophobicContact CD1-CD1 3.76Å; F1577-L1632 HydrophobicContact CD1-CD2 3.51Å; F1577-L1632 HydrophobicContact CD1-CG 4Å; F1577-L1632 HydrophobicContact CD2-CD1 3.79Å; F1577-L1632 HydrophobicContact CE1-CB 3.91Å; F1577-L1632 HydrophobicContact CE1-CD1 4.19Å; F1577-L1632 HydrophobicContact CE1-CD2 4.04Å; F1577-L1632 HydrophobicContact CE1-CG 4.25Å; F1577-L1632 HydrophobicContact CE2-CD1 4.25Å; F1577-L1632 HydrophobicContact CG-CD1 3.5Å; F1577-L1632 VanDerWaalsContact CG-CD1 3.5Å; F1577-L1632 HydrophobicContact CG-CD2 4.02Å; F1577-L1632 HydrophobicContact CG-CG 4.25Å; F1577-L1632 HydrophobicContact CZ-CB 4.23Å; F1577-L1632 HydrophobicContact CZ-CD1 4.41Å; F1577-I1635 HydrophobicContact CE1-CG2 4.47Å |
| 1578 | P | 64.3 | Low | 60.9 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | trans | -68.9 | 88 | 177.6 | 27.6 | -33.6 | 0 | 0 | 0 | 110.6 | N1597 I1598 L1601 N1678 L1682 | P1578-N1597 HydrophobicContact CB-CB 4.1Å; P1578-I1598 HydrophobicContact CB-CD1 4.41Å; P1578-I1598 HydrophobicContact CB-CG1 3.59Å; P1578-I1598 HydrophobicContact CG-CG1 3.67Å; P1578-L1601 HydrophobicContact CG-CD2 3.98Å; P1578-N1678 VanDerWaalsContact O-CG 3.28Å; P1578-N1678 PolarHBondContact O-ND2 3.12Å; P1578-N1678 VanDerWaalsContact O-ND2 3.12Å; P1578-L1682 HydrophobicContact CG-CD2 4.48Å | ||
| 1579 | L | 61.6 | Low | 58.3 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | trans | -107.9 | -4.5 | 179.4 | -74.5 | 171.9 | 0 | 0 | 0 | 113.4 | F1577 L1632 | F1577-L1579 VanDerWaalsContact C-N 3.33Å; F1577-L1579 HydrophobicContact CB-CG 4.41Å; F1577-L1579 PolarHBondContact O-N 3.39Å; L1579-L1632 HydrophobicContact CD1-CD2 4.38Å; L1579-L1632 HydrophobicContact CD2-CD2 3.93Å; L1579-L1632 HydrophobicContact CG-CD2 4.37Å | ||
| 1580 | N | 52.4 | Low | 56 | Low | 127 Ų | 127 | 71.3 Ų | 71.3 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 131.1 | -179.3 | -72.2 | -15.2 | 0 | 0 | 0 | 111.3 | ||
| 1581 | I | 48.7 | Very low | 54 | Low | 81 Ų | 81 | 76 Ų | 76 | 42% | 0.415 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 136.9 | 174.1 | -56.6 | 165.7 | 0 | 0 | 0 | 107.1 | S1583 Y1674 | I1581-S1583 PolarHBondContact O-N 3.5Å; I1581-Y1674 HydrophobicContact CD1-CD1 3.64Å; I1581-Y1674 HydrophobicContact CD1-CD2 4.11Å; I1581-Y1674 HydrophobicContact CD1-CE1 3.82Å; I1581-Y1674 HydrophobicContact CD1-CE2 4.26Å; I1581-Y1674 HydrophobicContact CD1-CG 3.8Å; I1581-Y1674 HydrophobicContact CG1-CD1 4.01Å; I1581-Y1674 HydrophobicContact CG1-CE1 4.44Å; I1581-Y1674 HydrophobicContact CG1-CG 4.37Å; I1581-Y1674 HydrophobicContact CG2-CD1 4.45Å; I1581-Y1674 HydrophobicContact CG2-CE1 4.3Å |
| 1582 | P | 45.8 | Very low | 52.4 | Low | 66 Ų | 66 | 78.6 Ų | 78.6 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 127.5 | 171.8 | -23.2 | 33.8 | 0 | 0 | 0 | 111.7 | ||
| 1583 | S | 40.5 | Very low | 51.2 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 144.2 | 166.3 | -3.5 | 0 | 0 | 0 | 0 | 109.7 | I1581 D1585 D1586 | I1581-S1583 PolarHBondContact O-N 3.5Å; S1583-D1585 PolarHBondContact O-N 3.43Å; S1583-D1585 VanDerWaalsContact O-N 3.16Å; S1583-D1586 VanDerWaalsContact CB-OD2 3.3Å; S1583-D1586 WeakPolarHBondContact CB-OD2 3.49Å; S1583-D1586 PolarHBondContact OG-OD2 3.48Å |
| 1584 | S | 41.8 | Very low | 50.2 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 75% | 0.748 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -10.5 | 176.1 | 42.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1585 | D | 36.2 | Very low | 50.1 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -9.7 | -160.1 | -55.5 | 5.6 | 0 | 0 | 0 | 112.2 | S1583 H1587 | S1583-D1585 PolarHBondContact O-N 3.43Å; S1583-D1585 VanDerWaalsContact O-N 3.16Å; D1585-H1587 PolarHBondContact O-N 3.01Å |
| 1586 | D | 34.2 | Very low | 50.2 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | trans | -90 | 71.3 | -178 | -71.6 | -64.5 | 0 | 0 | 0 | 112.3 | S1583 N1588 T1589 | S1583-D1586 VanDerWaalsContact CB-OD2 3.3Å; S1583-D1586 WeakPolarHBondContact CB-OD2 3.49Å; S1583-D1586 PolarHBondContact OG-OD2 3.48Å; D1586-N1588 PolarHBondContact O-N 3.11Å; D1586-T1589 PolarHBondContact O-OG1 3.14Å | ||
| 1587 | H | 34.2 | Very low | 50.7 | Low | 188 Ų | 188 | 86.3 Ų | 86.3 | 87% | 0.87 | 48% | 0.483 | S | S | * | . | trans | -65.4 | 32.5 | -179.5 | -89.4 | -63.1 | 0 | 0 | 0 | 115.9 | D1585 | D1585-H1587 PolarHBondContact O-N 3.01Š| ||
| 1588 | N | 31.2 | Very low | 51.3 | Low | 160 Ų | 160 | 85.7 Ų | 85.7 | 86% | 0.856 | 48% | 0.48 | S | S | * | . | trans | -146.6 | 41.8 | -171.4 | -140.3 | -0.6 | 0 | 0 | 0 | 113.6 | D1586 | D1586-N1588 PolarHBondContact O-N 3.11Š| ||
| 1589 | T | 33.8 | Very low | 52.3 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | trans | -134.5 | 66.6 | -168.7 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | D1586 N1591 | D1586-T1589 PolarHBondContact O-OG1 3.14Å; T1589-N1591 PolarHBondContact O-N 3.39Å | ||
| 1590 | N | 37.2 | Very low | 53.3 | Low | 172 Ų | 172 | 87.1 Ų | 87.1 | 92% | 0.92 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 34.3 | 161.4 | -77.1 | 6.5 | 0 | 0 | 0 | 113.2 | ||
| 1591 | N | 46 | Very low | 54.9 | Low | 100 Ų | 100 | 81 Ų | 81 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 11.9 | -166.2 | -116 | -20 | 0 | 0 | 0 | 114.5 | T1589 M1593 N1594 | T1589-N1591 PolarHBondContact O-N 3.39Å; N1591-M1593 PolarHBondContact O-N 3.42Å; N1591-M1593 VanDerWaalsContact O-N 3.07Å; N1591-N1594 PolarHBondContact O-N 3.11Å; N1591-N1594 PolarHBondContact OD1-ND2 2.76Å |
| 1592 | S | 52.6 | Low | 56.8 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.7 | -176.9 | -172.3 | 0 | 0 | 0 | 0 | 115 | R1681 | S1592-R1681 PolarHBondContact O-NH2 2.94Š|
| 1593 | M | 56.9 | Low | 58.8 | Low | 39 Ų | 39 | 76.9 Ų | 76.9 | 19% | 0.192 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17.9 | 173.7 | -86.9 | -62.6 | -177.8 | 0 | 0 | 114.9 | L1285 L1288 N1591 D1595 Y1685 I1688 | L1285-M1593 HydrophobicContact CD2-CE 3.66Å; L1288-M1593 HydrophobicContact CD1-CE 3.63Å; N1591-M1593 PolarHBondContact O-N 3.42Å; N1591-M1593 VanDerWaalsContact O-N 3.07Å; M1593-D1595 PolarHBondContact O-N 2.91Å; M1593-Y1685 WeakPolarHBondContact O-CD2 3.15Å; M1593-Y1685 WeakPolarHBondContact O-CE2 3.38Å; M1593-Y1685 HydrophobicContact SD-CD2 4.2Å; M1593-I1688 HydrophobicContact CG-CD1 4.02Å; M1593-I1688 HydrophobicContact SD-CD1 4.39Å |
| 1594 | N | 56.8 | Low | 61 | Low | 107 Ų | 107 | 73.5 Ų | 73.5 | 57% | 0.572 | 41% | 0.409 | S | S | * | . | trans | -89.6 | 31.5 | 179.9 | -71.8 | -36.2 | 0 | 0 | 0 | 112.8 | N1591 P1596 | N1591-N1594 PolarHBondContact O-N 3.11Å; N1591-N1594 PolarHBondContact OD1-ND2 2.76Å; N1594-P1596 WeakPolarHBondContact O-CD 3.43Å | ||
| 1595 | D | 71.4 | Confident | 63.3 | Low | 29 Ų | 29 | 68.4 Ų | 68.4 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | -71.5 | 110.9 | 172.7 | 179.1 | -10.9 | 0 | 0 | 0 | 108.9 | M1593 N1597 I1598 V1599 R1681 | M1593-D1595 PolarHBondContact O-N 2.91Å; D1595-N1597 PolarHBondContact O-N 3.08Å; D1595-N1597 WeakPolarHBondContact OD1-CB 3.32Å; D1595-N1597 PolarHBondContact OD1-N 3.22Å; D1595-N1597 PolarHBondContact OD1-ND2 3.47Å; D1595-I1598 HydrophobicContact CB-CB 4.31Å; D1595-I1598 HydrophobicContact CB-CG1 4.39Å; D1595-I1598 WeakPolarHBondContact O-CA 3.02Å; D1595-I1598 WeakPolarHBondContact O-CB 3.3Å; D1595-I1598 PolarHBondContact O-N 3.29Å; D1595-V1599 PolarHBondContact O-N 3.43Å; D1595-R1681 VanDerWaalsContact CB-NH2 3.31Å; D1595-R1681 IonicContact OD2-CZ 2.99Å; D1595-R1681 IonicContact OD2-NH1 3.77Å; D1595-R1681 PolarHBondContact OD2-NH1 3.48Å; D1595-R1681 IonicContact OD2-NH2 3Å; D1595-R1681 PolarHBondContact OD2-NH2 2.96Å | ||
| 1596 | P | 72.8 | Confident | 65.8 | Low | 79 Ų | 79 | 63.1 Ų | 63.1 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -21.5 | -172.1 | 25.2 | -34.5 | 0 | 0 | 0 | 113 | N1594 Q1600 | N1594-P1596 WeakPolarHBondContact O-CD 3.43Å; P1596-Q1600 WeakPolarHBondContact O-CG 3.46Å; P1596-Q1600 PolarHBondContact O-N 2.95Å; P1596-Q1600 VanDerWaalsContact O-N 3.13Å |
| 1597 | N | 76.7 | Confident | 68.3 | Low | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.2 | -27.1 | 175.7 | -48.9 | -82.5 | 0 | 0 | 0 | 112 | P1578 D1595 L1601 | P1578-N1597 HydrophobicContact CB-CB 4.1Å; D1595-N1597 PolarHBondContact O-N 3.08Å; D1595-N1597 WeakPolarHBondContact OD1-CB 3.32Å; D1595-N1597 PolarHBondContact OD1-N 3.22Å; D1595-N1597 PolarHBondContact OD1-ND2 3.47Å; N1597-L1601 WeakPolarHBondContact O-CB 3.16Å; N1597-L1601 PolarHBondContact O-N 3.26Å |
| 1598 | I | 83.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.4 | -48.5 | 169.6 | -79.3 | -165.4 | 0 | 0 | 0 | 110.5 | P1578 D1595 Q1600 L1601 V1602 R1681 L1682 Y1685 | P1578-I1598 HydrophobicContact CB-CD1 4.41Å; P1578-I1598 HydrophobicContact CB-CG1 3.59Å; P1578-I1598 HydrophobicContact CG-CG1 3.67Å; D1595-I1598 HydrophobicContact CB-CB 4.31Å; D1595-I1598 HydrophobicContact CB-CG1 4.39Å; D1595-I1598 WeakPolarHBondContact O-CA 3.02Å; D1595-I1598 WeakPolarHBondContact O-CB 3.3Å; D1595-I1598 PolarHBondContact O-N 3.29Å; I1598-Q1600 VanDerWaalsContact C-N 3.34Å; I1598-Q1600 PolarHBondContact O-N 3.07Å; I1598-L1601 PolarHBondContact O-N 2.91Å; I1598-L1601 VanDerWaalsContact O-N 3.16Å; I1598-V1602 HydrophobicContact CG2-CG2 4.35Å; I1598-V1602 WeakPolarHBondContact O-CG2 3.42Å; I1598-V1602 PolarHBondContact O-N 3.43Å; I1598-R1681 HydrophobicContact CD1-CB 3.44Å; I1598-R1681 VanDerWaalsContact CD1-CB 3.44Å; I1598-R1681 HydrophobicContact CD1-CG 4.27Å; I1598-L1682 HydrophobicContact CB-CD2 4.39Å; I1598-L1682 HydrophobicContact CG1-CD2 4.13Å; I1598-L1682 HydrophobicContact CG2-CD2 4.23Å; I1598-Y1685 HydrophobicContact CG2-CD1 4.21Å; I1598-Y1685 HydrophobicContact CG2-CD2 3.84Å; I1598-Y1685 HydrophobicContact CG2-CG 3.58Å |
| 1599 | V | 84.2 | Confident | 73.5 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -51.3 | -55.8 | -180 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | D1595 L1601 V1602 T1603 Y1685 | D1595-V1599 PolarHBondContact O-N 3.43Å; V1599-L1601 PolarHBondContact O-N 3.13Å; V1599-V1602 PolarHBondContact O-N 2.85Å; V1599-T1603 PolarHBondContact O-N 2.94Å; V1599-T1603 PolarHBondContact O-OG1 3.39Å; V1599-Y1685 HydrophobicContact CG1-CE1 4.45Å; V1599-Y1685 HydrophobicContact CG2-CE1 4.47Å; V1599-Y1685 HydrophobicContact CG2-CE2 3.91Å |
| 1600 | Q | 83.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | -177.6 | -66.2 | -176.4 | 19.9 | 0 | 0 | 113.8 | P1549 H1575 P1596 I1598 T1603 F1604 | P1549-Q1600 HydrophobicContact CG-CB 4.4Å; P1549-Q1600 HydrophobicContact CG-CG 4.36Å; H1575-Q1600 PolarHBondContact CD2-OE1 3.04Å; H1575-Q1600 PolarHBondContact NE2-OE1 3.33Å; P1596-Q1600 WeakPolarHBondContact O-CG 3.46Å; P1596-Q1600 PolarHBondContact O-N 2.95Å; P1596-Q1600 VanDerWaalsContact O-N 3.13Å; I1598-Q1600 VanDerWaalsContact C-N 3.34Å; I1598-Q1600 PolarHBondContact O-N 3.07Å; Q1600-T1603 PolarHBondContact O-N 3Å; Q1600-F1604 WeakPolarHBondContact O-CB 3.45Å; Q1600-F1604 PolarHBondContact O-N 3.23Å |
| 1601 | L | 84.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.4 | -35.3 | 177.9 | -178.8 | 57 | 0 | 0 | 0 | 112.1 | Y1573 F1577 P1578 N1597 I1598 V1599 F1604 I1605 L1682 | Y1573-L1601 HydrophobicContact CE1-CD1 4.35Å; Y1573-L1601 HydrophobicContact CE2-CD1 4.44Å; Y1573-L1601 PolarHBondContact OH-N 3.19Å; F1577-L1601 HydrophobicContact CD1-CD2 3.61Å; F1577-L1601 HydrophobicContact CD2-CD1 4.44Å; F1577-L1601 HydrophobicContact CD2-CD2 4.13Å; F1577-L1601 HydrophobicContact CE1-CD1 4.35Å; F1577-L1601 HydrophobicContact CE1-CD2 3.32Å; F1577-L1601 HydrophobicContact CE1-CG 4.48Å; F1577-L1601 HydrophobicContact CE2-CD1 3.63Å; F1577-L1601 HydrophobicContact CE2-CD2 3.84Å; F1577-L1601 HydrophobicContact CE2-CG 4.42Å; F1577-L1601 HydrophobicContact CG-CD2 4.05Å; F1577-L1601 HydrophobicContact CZ-CD1 3.6Å; F1577-L1601 HydrophobicContact CZ-CD2 3.45Å; F1577-L1601 VanDerWaalsContact CZ-CD2 3.45Å; F1577-L1601 HydrophobicContact CZ-CG 4.19Å; P1578-L1601 HydrophobicContact CG-CD2 3.98Å; N1597-L1601 WeakPolarHBondContact O-CB 3.16Å; N1597-L1601 PolarHBondContact O-N 3.26Å; I1598-L1601 PolarHBondContact O-N 2.91Å; I1598-L1601 VanDerWaalsContact O-N 3.16Å; V1599-L1601 PolarHBondContact O-N 3.13Å; L1601-F1604 HydrophobicContact CD1-CD1 4.09Å; L1601-F1604 PolarHBondContact O-N 3Å; L1601-I1605 HydrophobicContact CG-CD1 4.28Å; L1601-I1605 WeakPolarHBondContact O-CD1 3.48Å; L1601-I1605 VanDerWaalsContact O-CG1 3.28Å; L1601-I1605 WeakPolarHBondContact O-CG1 3.47Å; L1601-I1605 PolarHBondContact O-N 3.19Å; L1601-L1682 HydrophobicContact CB-CD2 4.03Å; L1601-L1682 HydrophobicContact CD2-CD1 3.78Å; L1601-L1682 HydrophobicContact CD2-CD2 3.82Å; L1601-L1682 HydrophobicContact CD2-CG 4.46Å; L1601-L1682 HydrophobicContact CG-CD1 4.36Å; L1601-L1682 HydrophobicContact CG-CD2 3.92Å |
| 1602 | V | 89 | Confident | 79.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 169.6 | 173 | 0 | 0 | 0 | 0 | 110.1 | I1598 V1599 F1604 I1605 H1606 L1682 Y1685 | I1598-V1602 HydrophobicContact CG2-CG2 4.35Å; I1598-V1602 WeakPolarHBondContact O-CG2 3.42Å; I1598-V1602 PolarHBondContact O-N 3.43Å; V1599-V1602 PolarHBondContact O-N 2.85Å; V1602-F1604 VanDerWaalsContact C-N 3.26Å; V1602-F1604 PolarHBondContact O-N 2.88Å; V1602-I1605 PolarHBondContact O-N 3.49Å; V1602-I1605 VanDerWaalsContact O-N 3.09Å; V1602-H1606 VanDerWaalsContact CG1-CE1 3.42Å; V1602-H1606 WeakPolarHBondContact CG1-CE1 3.21Å; V1602-H1606 PolarHBondContact O-N 2.79Å; V1602-L1682 HydrophobicContact CG2-CB 4.24Å; V1602-L1682 HydrophobicContact CG2-CD2 3.73Å; V1602-L1682 WeakPolarHBondContact CG2-O 3.27Å; V1602-Y1685 HydrophobicContact CB-CD1 4.03Å; V1602-Y1685 HydrophobicContact CG1-CD1 4.12Å; V1602-Y1685 HydrophobicContact CG2-CD1 3.91Å; V1602-Y1685 HydrophobicContact CG2-CG 4.47Å |
| 1603 | T | 87.9 | Confident | 80.7 | Confident | 60 Ų | 60 | 33.9 Ų | 33.9 | 37% | 0.368 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 174.4 | -42.6 | 0 | 0 | 0 | 0 | 111.9 | W1550 V1599 Q1600 H1607 | W1550-T1603 HydrophobicContact CH2-CG2 3.96Å; V1599-T1603 PolarHBondContact O-N 2.94Å; V1599-T1603 PolarHBondContact O-OG1 3.39Å; Q1600-T1603 PolarHBondContact O-N 3Å; T1603-H1607 WeakPolarHBondContact O-CB 3.41Å; T1603-H1607 PolarHBondContact O-N 2.99Å |
| 1604 | F | 87.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 174.6 | 179.6 | -117.3 | 0 | 0 | 0 | 112.7 | W1550 F1571 Y1573 Q1600 L1601 V1602 H1607 V1608 V1624 F1636 | W1550-F1604 HydrophobicContact CB-CD2 3.89Å; W1550-F1604 HydrophobicContact CB-CE2 3.76Å; W1550-F1604 AromaticContact CD2-CD2 3.54Å; W1550-F1604 HydrophobicContact CD2-CD2 3.54Å; W1550-F1604 HydrophobicContact CD2-CE2 4.19Å; W1550-F1604 HydrophobicContact CE3-CB 3.83Å; W1550-F1604 AromaticContact CE3-CD2 3.58Å; W1550-F1604 HydrophobicContact CE3-CD2 3.58Å; W1550-F1604 HydrophobicContact CE3-CG 4.13Å; W1550-F1604 AromaticContact CG-CD2 3.68Å; W1550-F1604 HydrophobicContact CG-CD2 3.68Å; W1550-F1604 AromaticContact CG-CE2 3.82Å; W1550-F1604 HydrophobicContact CG-CE2 3.82Å; W1550-F1604 HydrophobicContact CZ3-CB 3.88Å; W1550-F1604 HydrophobicContact CZ3-CD2 4.31Å; F1571-F1604 HydrophobicContact CB-CE2 3.85Å; F1571-F1604 HydrophobicContact CB-CZ 3.89Å; F1571-F1604 HydrophobicContact CG-CE2 4.33Å; Y1573-F1604 HydrophobicContact CD2-CB 3.8Å; Y1573-F1604 AromaticContact CD2-CD1 3.76Å; Y1573-F1604 HydrophobicContact CD2-CD1 3.76Å; Y1573-F1604 AromaticContact CD2-CD2 3.99Å; Y1573-F1604 HydrophobicContact CD2-CD2 3.99Å; Y1573-F1604 HydrophobicContact CD2-CE1 4.31Å; Y1573-F1604 HydrophobicContact CD2-CE2 4.5Å; Y1573-F1604 AromaticContact CD2-CG 3.57Å; Y1573-F1604 HydrophobicContact CD2-CG 3.57Å; Y1573-F1604 HydrophobicContact CE2-CB 3.88Å; Y1573-F1604 HydrophobicContact CE2-CD1 4.48Å; Y1573-F1604 HydrophobicContact CE2-CG 4.18Å; Y1573-F1604 HydrophobicContact CG-CD1 4.12Å; Y1573-F1604 HydrophobicContact CG-CE1 4.3Å; Y1573-F1604 HydrophobicContact CG-CG 4.35Å; Q1600-F1604 WeakPolarHBondContact O-CB 3.45Å; Q1600-F1604 PolarHBondContact O-N 3.23Å; L1601-F1604 HydrophobicContact CD1-CD1 4.09Å; L1601-F1604 PolarHBondContact O-N 3Å; V1602-F1604 VanDerWaalsContact C-N 3.26Å; V1602-F1604 PolarHBondContact O-N 2.88Å; F1604-H1607 WeakPolarHBondContact O-CB 3.45Å; F1604-H1607 PolarHBondContact O-N 3.34Å; F1604-V1608 HydrophobicContact CE1-CG2 4.44Å; F1604-V1608 HydrophobicContact CE2-CG2 4.28Å; F1604-V1608 HydrophobicContact CZ-CG2 4.18Å; F1604-V1608 WeakPolarHBondContact O-CG2 3.49Å; F1604-V1608 PolarHBondContact O-N 3.06Å; F1604-V1624 HydrophobicContact CE1-CG1 3.77Å; F1604-V1624 HydrophobicContact CZ-CG1 3.93Å; F1604-F1636 HydrophobicContact CD1-CE2 4.16Å; F1604-F1636 HydrophobicContact CE1-CE2 4.07Å |
| 1605 | I | 89.5 | Confident | 82 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.1 | -71.3 | 162.2 | 0 | 0 | 0 | 110.3 | L1601 V1602 H1607 V1608 H1609 F1636 A1639 I1643 L1682 | L1601-I1605 HydrophobicContact CG-CD1 4.28Å; L1601-I1605 WeakPolarHBondContact O-CD1 3.48Å; L1601-I1605 VanDerWaalsContact O-CG1 3.28Å; L1601-I1605 WeakPolarHBondContact O-CG1 3.47Å; L1601-I1605 PolarHBondContact O-N 3.19Å; V1602-I1605 PolarHBondContact O-N 3.49Å; V1602-I1605 VanDerWaalsContact O-N 3.09Å; I1605-H1607 VanDerWaalsContact C-N 3.27Å; I1605-H1607 PolarHBondContact O-N 3Å; I1605-V1608 PolarHBondContact O-N 2.69Å; I1605-H1609 WeakPolarHBondContact CG2-CE1 3.38Å; I1605-H1609 VanDerWaalsContact O-CG 3.24Å; I1605-H1609 PolarHBondContact O-N 3.44Å; I1605-F1636 HydrophobicContact CD1-CD2 4.39Å; I1605-F1636 HydrophobicContact CG1-CD2 3.88Å; I1605-F1636 HydrophobicContact CG1-CE2 3.56Å; I1605-F1636 HydrophobicContact CG1-CZ 4.32Å; I1605-A1639 HydrophobicContact CD1-CB 3.87Å; I1605-I1643 HydrophobicContact CG2-CD1 3.97Å; I1605-L1682 HydrophobicContact CD1-CD1 4.49Å |
| 1606 | H | 88.2 | Confident | 81.3 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -35.2 | 173.3 | -66.4 | 156.7 | 0 | 0 | 0 | 112.4 | V1602 H1609 N1610 S1686 E1689 | V1602-H1606 VanDerWaalsContact CG1-CE1 3.42Å; V1602-H1606 WeakPolarHBondContact CG1-CE1 3.21Å; V1602-H1606 PolarHBondContact O-N 2.79Å; H1606-H1609 PolarHBondContact O-N 2.92Å; H1606-N1610 VanDerWaalsContact O-CB 3.32Å; H1606-N1610 WeakPolarHBondContact O-CB 3.38Å; H1606-N1610 PolarHBondContact O-N 2.97Å; H1606-S1686 PolarHBondContact NE2-OG 2.98Å; H1606-E1689 IonicContact CE1-OE1 2.66Å; H1606-E1689 IonicContact CE1-OE2 3.87Å; H1606-E1689 PolarHBondContact CE1-OE2 3.36Å; H1606-E1689 IonicContact ND1-OE1 3.42Å; H1606-E1689 IonicContact ND1-OE2 3.23Å |
| 1607 | H | 87.6 | Confident | 80.8 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 176.6 | -165 | 74.7 | 0 | 0 | 0 | 112.1 | W1550 F1571 T1603 F1604 I1605 N1610 Y1611 | W1550-H1607 AromaticContact CE2-CD2 3.58Å; W1550-H1607 AromaticContact CE2-CG 3.85Å; W1550-H1607 AromaticContact CE2-NE2 3.93Å; W1550-H1607 HydrophobicContact CH2-CB 4.21Å; W1550-H1607 HydrophobicContact CZ2-CB 3.75Å; W1550-H1607 AromaticContact CZ2-CD2 3.71Å; W1550-H1607 AromaticContact CZ2-CG 3.48Å; W1550-H1607 VanDerWaalsContact CZ2-CG 3.48Å; W1550-H1607 AromaticContact CZ2-ND1 3.75Å; W1550-H1607 AromaticContact NE1-CD2 3.14Å; W1550-H1607 PolarHBondContact NE1-CD2 2.8Å; W1550-H1607 AromaticContact NE1-CG 3.88Å; W1550-H1607 AromaticContact NE1-NE2 3.24Å; W1550-H1607 PolarHBondContact NE1-NE2 3.13Å; F1571-H1607 AromaticContact CE1-CD2 3.5Å; F1571-H1607 AromaticContact CE1-NE2 3.64Å; F1571-H1607 AromaticContact CZ-CD2 3.9Å; T1603-H1607 WeakPolarHBondContact O-CB 3.41Å; T1603-H1607 PolarHBondContact O-N 2.99Å; F1604-H1607 WeakPolarHBondContact O-CB 3.45Å; F1604-H1607 PolarHBondContact O-N 3.34Å; I1605-H1607 VanDerWaalsContact C-N 3.27Å; I1605-H1607 PolarHBondContact O-N 3Å; H1607-N1610 PolarHBondContact O-N 3.34Å; H1607-Y1611 PolarHBondContact O-N 3.04Å |
| 1608 | V | 87.7 | Confident | 80 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 172 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I1438 F1571 F1604 I1605 Y1611 Y1612 I1622 V1624 F1636 | I1438-V1608 HydrophobicContact CD1-CG1 4.28Å; F1571-V1608 HydrophobicContact CD2-CG2 4.02Å; F1571-V1608 HydrophobicContact CE2-CG2 4.34Å; F1604-V1608 HydrophobicContact CE1-CG2 4.44Å; F1604-V1608 HydrophobicContact CE2-CG2 4.28Å; F1604-V1608 HydrophobicContact CZ-CG2 4.18Å; F1604-V1608 WeakPolarHBondContact O-CG2 3.49Å; F1604-V1608 PolarHBondContact O-N 3.06Å; I1605-V1608 PolarHBondContact O-N 2.69Å; V1608-Y1611 PolarHBondContact O-N 3.11Å; V1608-Y1612 PolarHBondContact O-N 2.96Å; V1608-I1622 HydrophobicContact CG1-CG2 4.27Å; V1608-V1624 HydrophobicContact CG1-CG2 3.82Å; V1608-V1624 HydrophobicContact CG2-CG2 3.88Å; V1608-F1636 HydrophobicContact CB-CZ 4.47Å; V1608-F1636 HydrophobicContact CG1-CZ 4.28Å; V1608-F1636 HydrophobicContact CG2-CZ 4.38Å |
| 1609 | H | 87.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.9 | -66.7 | 163.2 | 0 | 0 | 0 | 112.5 | I1605 H1606 Y1611 Y1612 K1613 S1640 L1644 | I1605-H1609 WeakPolarHBondContact CG2-CE1 3.38Å; I1605-H1609 VanDerWaalsContact O-CG 3.24Å; I1605-H1609 PolarHBondContact O-N 3.44Å; H1606-H1609 PolarHBondContact O-N 2.92Å; H1609-Y1611 VanDerWaalsContact C-N 3.32Å; H1609-Y1611 PolarHBondContact O-N 3.43Å; H1609-Y1612 WeakPolarHBondContact O-CB 3.36Å; H1609-Y1612 PolarHBondContact O-N 3.4Å; H1609-K1613 WeakPolarHBondContact O-CB 3.43Å; H1609-K1613 WeakPolarHBondContact O-CG 3.44Å; H1609-K1613 PolarHBondContact O-N 3.01Å; H1609-S1640 PolarHBondContact CE1-O 3.32Å; H1609-S1640 VanDerWaalsContact CE1-O 3.26Å; H1609-S1640 PolarHBondContact NE2-O 3.2Å; H1609-S1640 PolarHBondContact NE2-OG 3.26Å; H1609-L1644 HydrophobicContact CB-CD2 4.22Å; H1609-L1644 WeakPolarHBondContact NE2-CG 3.46Å |
| 1610 | N | 83.7 | Confident | 77.9 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 40% | 0.401 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 178.7 | -74.2 | -11.1 | 0 | 0 | 0 | 111 | H1606 H1607 K1613 Q1614 | H1606-N1610 VanDerWaalsContact O-CB 3.32Å; H1606-N1610 WeakPolarHBondContact O-CB 3.38Å; H1606-N1610 PolarHBondContact O-N 2.97Å; H1607-N1610 PolarHBondContact O-N 3.34Å; N1610-K1613 PolarHBondContact O-N 3.47Å; N1610-Q1614 VanDerWaalsContact O-CB 3.27Å; N1610-Q1614 WeakPolarHBondContact O-CB 3.33Å; N1610-Q1614 WeakPolarHBondContact O-CG 3.46Å; N1610-Q1614 PolarHBondContact O-N 2.96Å |
| 1611 | Y | 78.9 | Confident | 77 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 172.9 | -145.3 | -70.1 | 0 | 0 | 0 | 111.9 | V1569 F1571 H1607 V1608 H1609 Q1614 Q1615 I1622 | V1569-Y1611 HydrophobicContact CB-CE1 4.35Å; V1569-Y1611 HydrophobicContact CG1-CE2 4.29Å; V1569-Y1611 HydrophobicContact CG2-CD1 4.35Å; V1569-Y1611 HydrophobicContact CG2-CE1 3.59Å; V1569-Y1611 HydrophobicContact CG2-CE2 4.41Å; F1571-Y1611 HydrophobicContact CE2-CD2 4.41Å; F1571-Y1611 HydrophobicContact CE2-CG 4.32Å; F1571-Y1611 AromaticContact CZ-CD2 3.72Å; F1571-Y1611 HydrophobicContact CZ-CD2 3.72Å; F1571-Y1611 HydrophobicContact CZ-CE2 4.47Å; F1571-Y1611 HydrophobicContact CZ-CG 4.06Å; H1607-Y1611 PolarHBondContact O-N 3.04Å; V1608-Y1611 PolarHBondContact O-N 3.11Å; H1609-Y1611 VanDerWaalsContact C-N 3.32Å; H1609-Y1611 PolarHBondContact O-N 3.43Å; Y1611-Q1614 PolarHBondContact O-N 3.24Å; Y1611-Q1615 HydrophobicContact CD1-CG 4.15Å; Y1611-Q1615 HydrophobicContact CE1-CG 4.29Å; Y1611-Q1615 WeakPolarHBondContact O-CG 3.38Å; Y1611-Q1615 PolarHBondContact O-N 3.36Å; Y1611-I1622 HydrophobicContact CD1-CD1 4.27Å |
| 1612 | Y | 79.8 | Confident | 76.4 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 174 | 172.8 | -99.7 | 0 | 0 | 0 | 112 | L1193 P1411 E1437 I1438 V1608 H1609 Q1614 Q1615 L1618 | L1193-Y1612 HydrophobicContact CD1-CE1 4.4Å; L1193-Y1612 WeakPolarHBondContact CD1-OH 3.22Å; P1411-Y1612 HydrophobicContact CB-CD2 4.44Å; P1411-Y1612 HydrophobicContact CB-CE1 4.4Å; P1411-Y1612 HydrophobicContact CB-CE2 3.83Å; P1411-Y1612 HydrophobicContact CG-CD1 4.25Å; P1411-Y1612 HydrophobicContact CG-CE1 3.78Å; P1411-Y1612 HydrophobicContact CG-CE2 4.09Å; E1437-Y1612 HydrophobicContact CB-CD2 4.24Å; E1437-Y1612 HydrophobicContact CB-CE2 3.79Å; E1437-Y1612 HydrophobicContact CG-CE2 3.99Å; E1437-Y1612 PolarHBondContact OE2-OH 2.67Å; I1438-Y1612 HydrophobicContact CD1-CD2 4.31Å; I1438-Y1612 HydrophobicContact CD1-CG 4.48Å; I1438-Y1612 HydrophobicContact CG1-CD2 4.36Å; V1608-Y1612 PolarHBondContact O-N 2.96Å; H1609-Y1612 WeakPolarHBondContact O-CB 3.36Å; H1609-Y1612 PolarHBondContact O-N 3.4Å; Y1612-Q1614 PolarHBondContact O-N 3.44Å; Y1612-Q1615 PolarHBondContact O-N 2.88Å; Y1612-L1618 HydrophobicContact CD2-CD2 4.16Å; Y1612-L1618 HydrophobicContact CE2-CD2 3.69Å |
| 1613 | K | 77.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 27% | 0.265 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -28.1 | 177.2 | -68.9 | 169.1 | -175.5 | 174.2 | 0 | 112.9 | Y1197 H1609 N1610 D1647 | Y1197-K1613 HydrophobicContact CE2-CG 4.24Å; H1609-K1613 WeakPolarHBondContact O-CB 3.43Å; H1609-K1613 WeakPolarHBondContact O-CG 3.44Å; H1609-K1613 PolarHBondContact O-N 3.01Å; N1610-K1613 PolarHBondContact O-N 3.47Å; K1613-D1647 IonicContact NZ-OD2 3.63Å; K1613-D1647 PolarHBondContact NZ-OD2 3.45Å |
| 1614 | Q | 73.9 | Confident | 75 | Confident | 150 Ų | 150 | 38.4 Ų | 38.4 | 70% | 0.701 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -91.7 | -11.6 | -178.2 | -72.8 | 176.7 | 12.6 | 0 | 0 | 114.9 | N1610 Y1611 Y1612 R1616 | N1610-Q1614 VanDerWaalsContact O-CB 3.27Å; N1610-Q1614 WeakPolarHBondContact O-CB 3.33Å; N1610-Q1614 WeakPolarHBondContact O-CG 3.46Å; N1610-Q1614 PolarHBondContact O-N 2.96Å; Y1611-Q1614 PolarHBondContact O-N 3.24Å; Y1612-Q1614 PolarHBondContact O-N 3.44Å; Q1614-R1616 PolarHBondContact O-N 2.89Å |
| 1615 | Q | 68.2 | Low | 74.1 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 13% | 0.131 | 18% | 0.175 | C | C | . | . | trans | -66.4 | 124.2 | -179.6 | -80.9 | -170.5 | 2.6 | 0 | 0 | 112.2 | Y1611 Y1612 N1617 H1620 | Y1611-Q1615 HydrophobicContact CD1-CG 4.15Å; Y1611-Q1615 HydrophobicContact CE1-CG 4.29Å; Y1611-Q1615 WeakPolarHBondContact O-CG 3.38Å; Y1611-Q1615 PolarHBondContact O-N 3.36Å; Y1612-Q1615 PolarHBondContact O-N 2.88Å; Q1615-N1617 PolarHBondContact O-N 2.83Å; Q1615-N1617 PolarHBondContact OE1-O 3.34Å; Q1615-H1620 PolarHBondContact NE2-O 3.49Å; Q1615-H1620 PolarHBondContact OE1-O 3.13Å; Q1615-H1620 VanDerWaalsContact OE1-O 3.12Å | ||
| 1616 | R | 55.1 | Low | 72.7 | Confident | 155 Ų | 155 | 38.4 Ų | 38.4 | 59% | 0.585 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -68.6 | -5.7 | 173.2 | -78.3 | -171.5 | 178.6 | -178.9 | 1.6 | 114.8 | H596 E1190 R1194 Q1614 | H596-R1616 PolarHBondContact CD2-NH1 2.88Å; H596-R1616 PolarHBondContact NE2-NH1 3.22Å; E1190-R1616 VanDerWaalsContact OE1-O 3.07Å; R1194-R1616 PolarHBondContact NH2-O 3.35Å; Q1614-R1616 PolarHBondContact O-N 2.89Å |
| 1617 | N | 63.7 | Low | 71.1 | Confident | 65 Ų | 65 | 39.2 Ų | 39.2 | 35% | 0.348 | 18% | 0.179 | S | C | . | . | trans | -163.6 | 117.7 | 179.2 | -178.5 | -19.7 | 0 | 0 | 0 | 109.3 | E1190 Q1615 I1619 | E1190-N1617 WeakPolarHBondContact OE2-CA 3.49Å; Q1615-N1617 PolarHBondContact O-N 2.83Å; Q1615-N1617 PolarHBondContact OE1-O 3.34Å; N1617-I1619 PolarHBondContact O-N 2.75Å; N1617-I1619 VanDerWaalsContact OD1-CB 3.24Å; N1617-I1619 WeakPolarHBondContact OD1-CB 3.41Å; N1617-I1619 WeakPolarHBondContact OD1-CD1 3.28Å; N1617-I1619 WeakPolarHBondContact OD1-CG1 3.45Å; N1617-I1619 PolarHBondContact OD1-N 2.79Å | ||
| 1618 | L | 59.1 | Low | 69.4 | Low | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -2.6 | -175.5 | -66.1 | 176 | 0 | 0 | 0 | 115.1 | R1189 E1190 L1193 E1437 Y1612 H1620 | R1189-L1618 HydrophobicContact CB-CD1 4.35Å; R1189-L1618 HydrophobicContact CG-CD1 4.48Å; E1190-L1618 HydrophobicContact CB-CD1 3.9Å; E1190-L1618 HydrophobicContact CB-CG 4.16Å; E1190-L1618 HydrophobicContact CG-CD1 4.48Å; E1190-L1618 HydrophobicContact CG-CG 4.28Å; L1193-L1618 HydrophobicContact CD1-CD1 3.87Å; E1437-L1618 HydrophobicContact CG-CB 4.04Å; E1437-L1618 HydrophobicContact CG-CD2 4.48Å; Y1612-L1618 HydrophobicContact CD2-CD2 4.16Å; Y1612-L1618 HydrophobicContact CE2-CD2 3.69Å; L1618-H1620 PolarHBondContact O-N 2.94Å |
| 1619 | I | 57.7 | Low | 67.3 | Low | 43 Ų | 43 | 41.5 Ų | 41.5 | 22% | 0.221 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.5 | -179.5 | -61.9 | 169.2 | 0 | 0 | 0 | 112.5 | A1186 R1566 N1617 P1621 | A1186-I1619 HydrophobicContact CB-CG1 4.44Å; R1566-I1619 PolarHBondContact NE-O 3.35Å; R1566-I1619 PolarHBondContact NH2-O 3.46Å; R1566-I1619 VanDerWaalsContact NH2-O 3.08Å; N1617-I1619 PolarHBondContact O-N 2.75Å; N1617-I1619 VanDerWaalsContact OD1-CB 3.24Å; N1617-I1619 WeakPolarHBondContact OD1-CB 3.41Å; N1617-I1619 WeakPolarHBondContact OD1-CD1 3.28Å; N1617-I1619 WeakPolarHBondContact OD1-CG1 3.45Å; N1617-I1619 PolarHBondContact OD1-N 2.79Å; I1619-P1621 VanDerWaalsContact O-CD 3.24Å; I1619-P1621 WeakPolarHBondContact O-CD 3.27Å |
| 1620 | H | 65.6 | Low | 65.1 | Low | 84 Ų | 84 | 43.4 Ų | 43.4 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -98.9 | 95.7 | 179.4 | -74.4 | 46.3 | 0 | 0 | 0 | 111.5 | Q1615 L1618 I1622 | Q1615-H1620 PolarHBondContact NE2-O 3.49Å; Q1615-H1620 PolarHBondContact OE1-O 3.13Å; Q1615-H1620 VanDerWaalsContact OE1-O 3.12Å; L1618-H1620 PolarHBondContact O-N 2.94Å; H1620-I1622 PolarHBondContact O-N 2.81Å |
| 1621 | P | 64.5 | Low | 64.1 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -58.9 | 135.9 | -174.5 | 19.9 | -31.2 | 0 | 0 | 0 | 113.2 | C1436 V1439 L1568 V1569 I1619 | C1436-P1621 WeakPolarHBondContact O-CA 3.43Å; C1436-P1621 WeakPolarHBondContact O-CB 3.35Å; V1439-P1621 HydrophobicContact CG2-CB 4.19Å; L1568-P1621 HydrophobicContact CB-CG 4.06Å; L1568-P1621 VanDerWaalsContact CB-O 3.29Å; L1568-P1621 WeakPolarHBondContact CB-O 3.5Å; V1569-P1621 PolarHBondContact N-O 2.9Å; I1619-P1621 VanDerWaalsContact O-CD 3.24Å; I1619-P1621 WeakPolarHBondContact O-CD 3.27Å | ||
| 1622 | I | 72.9 | Confident | 63.7 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107.8 | 167.3 | -58.8 | 169.7 | 0 | 0 | 0 | 107.8 | E1437 I1438 V1439 V1569 F1571 V1608 Y1611 H1620 V1624 | E1437-I1622 PolarHBondContact O-N 3.07Å; I1438-I1622 CarbonylContact C-O 3.6Å; I1438-I1622 WeakPolarHBondContact CA-O 3.12Å; I1438-I1622 HydrophobicContact CG1-CB 4.47Å; V1439-I1622 PolarHBondContact N-O 2.78Å; V1569-I1622 CarbonylContact O-C 3.55Å; V1569-I1622 WeakPolarHBondContact O-CA 3.34Å; F1571-I1622 HydrophobicContact CD2-CG2 3.59Å; F1571-I1622 HydrophobicContact CE2-CG2 3.62Å; V1608-I1622 HydrophobicContact CG1-CG2 4.27Å; Y1611-I1622 HydrophobicContact CD1-CD1 4.27Å; H1620-I1622 PolarHBondContact O-N 2.81Å; I1622-V1624 HydrophobicContact CG2-CG2 4.07Å; I1622-V1624 PolarHBondContact O-N 3.27Å |
| 1623 | V | 78.2 | Confident | 63.8 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.1 | 178.3 | -174 | 0 | 0 | 0 | 0 | 108.7 | F1427 I1431 V1439 L1568 V1569 H1570 F1571 V1625 | F1427-V1623 HydrophobicContact CZ-CG1 4.09Å; I1431-V1623 HydrophobicContact CD1-CG2 3.54Å; V1439-V1623 HydrophobicContact CB-CG2 4.36Å; V1439-V1623 CarbonylContact O-C 3.42Å; V1439-V1623 WeakPolarHBondContact O-CA 3.49Å; L1568-V1623 HydrophobicContact CD1-CB 4.46Å; L1568-V1623 HydrophobicContact CD1-CG2 3.92Å; V1569-V1623 PolarHBondContact O-N 3.14Å; H1570-V1623 WeakPolarHBondContact CA-O 3.45Å; H1570-V1623 HydrophobicContact CB-CB 4.49Å; F1571-V1623 PolarHBondContact N-O 3.28Å; V1623-V1625 HydrophobicContact CG1-CG2 4.14Å |
| 1624 | V | 69.3 | Low | 64.2 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.6 | 179.3 | -179 | 0 | 0 | 0 | 0 | 109.1 | I1438 V1439 V1440 T1441 F1604 V1608 I1622 F1636 | I1438-V1624 HydrophobicContact CG2-CG2 3.82Å; V1439-V1624 PolarHBondContact O-N 2.94Å; V1440-V1624 HydrophobicContact CG2-CB 4.45Å; T1441-V1624 PolarHBondContact N-O 3.44Å; F1604-V1624 HydrophobicContact CE1-CG1 3.77Å; F1604-V1624 HydrophobicContact CZ-CG1 3.93Å; V1608-V1624 HydrophobicContact CG1-CG2 3.82Å; V1608-V1624 HydrophobicContact CG2-CG2 3.88Å; I1622-V1624 HydrophobicContact CG2-CG2 4.07Å; I1622-V1624 PolarHBondContact O-N 3.27Å; V1624-F1636 HydrophobicContact CB-CZ 4.48Å; V1624-F1636 HydrophobicContact CG1-CE1 4.21Å; V1624-F1636 HydrophobicContact CG1-CE2 3.94Å; V1624-F1636 HydrophobicContact CG1-CZ 3.79Å; V1624-F1636 HydrophobicContact CG2-CE1 4.45Å; V1624-F1636 HydrophobicContact CG2-CZ 4.21Å |
| 1625 | V | 67.3 | Low | 64.8 | Low | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.7 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | T1441 I1443 H1570 F1571 T1572 Y1573 V1623 | T1441-V1625 WeakPolarHBondContact O-CA 3.43Å; T1441-V1625 WeakPolarHBondContact O-CG1 3.28Å; I1443-V1625 HydrophobicContact CD1-CG1 3.63Å; I1443-V1625 HydrophobicContact CG1-CG1 4.07Å; H1570-V1625 VanDerWaalsContact NE2-CG2 3.3Å; H1570-V1625 WeakPolarHBondContact NE2-CG2 3.45Å; F1571-V1625 WeakPolarHBondContact O-CA 3.47Å; F1571-V1625 WeakPolarHBondContact O-CB 3.15Å; F1571-V1625 PolarHBondContact O-N 3.31Å; T1572-V1625 CarbonylContact C-O 3.42Å; T1572-V1625 VanDerWaalsContact CA-O 3.3Å; T1572-V1625 WeakPolarHBondContact CA-O 3.47Å; T1572-V1625 HydrophobicContact CG2-CG1 4.39Å; Y1573-V1625 PolarHBondContact N-O 3.43Å; V1623-V1625 HydrophobicContact CG1-CG2 4.14Å |
| 1626 | C | 60.3 | Low | 65.8 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.8 | 166.5 | -40.8 | 0 | 0 | 0 | 0 | 107.8 | L1442 I1443 Y1573 F1577 Y1628 | L1442-C1626 HydrophobicContact CD2-CB 4.11Å; L1442-C1626 HydrophobicContact CG-CB 3.9Å; I1443-C1626 PolarHBondContact N-O 2.96Å; Y1573-C1626 HydrophobicContact CD1-CB 4.4Å; F1577-C1626 HydrophobicContact CE2-CB 4.05Å; C1626-Y1628 VanDerWaalsContact C-N 3.32Å; C1626-Y1628 PolarHBondContact O-N 3.17Å |
| 1627 | E | 53.7 | Low | 67.4 | Low | 37 Ų | 37 | 21.7 Ų | 21.7 | 17% | 0.173 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -89.4 | 6.2 | -172.6 | -77.9 | 167 | 158.3 | 0 | 0 | 114.5 | I1443 P1486 T1572 Y1573 H1574 | I1443-E1627 HydrophobicContact CD1-CG 3.93Å; I1443-E1627 CarbonylContact O-C 3.4Å; I1443-E1627 VanDerWaalsContact O-C 3.28Å; P1486-E1627 VanDerWaalsContact CG-OE1 3.31Å; P1486-E1627 WeakPolarHBondContact CG-OE1 3.48Å; T1572-E1627 HydrophobicContact CG2-CG 3.76Å; T1572-E1627 WeakPolarHBondContact CG2-OE1 3.45Å; T1572-E1627 WeakPolarHBondContact CG2-OE2 3.44Å; Y1573-E1627 PolarHBondContact O-N 2.96Å; Y1573-E1627 VanDerWaalsContact O-N 3.15Å; H1574-E1627 IonicContact CE1-OE2 2.68Å; H1574-E1627 PolarHBondContact CE1-OE2 2.92Å; H1574-E1627 IonicContact CG-OE2 3.07Å; H1574-E1627 IonicContact ND1-OE2 3.83Å; H1574-E1627 PolarHBondContact ND1-OE2 3.11Å |
| 1628 | Y | 52.9 | Low | 68.8 | Low | 84 Ų | 84 | 18.6 Ų | 18.6 | 33% | 0.329 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -118.1 | 13 | -158.6 | -79.3 | -91.1 | 0 | 0 | 0 | 117.3 | I1443 H1574 H1575 C1626 | I1443-Y1628 PolarHBondContact O-N 3.44Å; H1574-Y1628 VanDerWaalsContact C-CE2 3.44Å; H1574-Y1628 WeakPolarHBondContact O-CE2 3.38Å; H1574-Y1628 PolarHBondContact O-OH 3.14Å; H1575-Y1628 WeakPolarHBondContact O-CD2 3.15Å; C1626-Y1628 VanDerWaalsContact C-N 3.32Å; C1626-Y1628 PolarHBondContact O-N 3.17Å |
| 1629 | G | 42.8 | Very low | 70.3 | Confident | 13 Ų | 13 | 18.1 Ų | 18.1 | 13% | 0.134 | 10% | 0.095 | C | C | . | . | trans | 157.8 | 149.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | L1442 I1443 | L1442-G1629 WeakPolarHBondContact CB-O 3.37Å; I1443-G1629 PolarHBondContact O-N 2.78Å | ||
| 1630 | A | 42.2 | Very low | 71.9 | Confident | 40 Ų | 40 | 16 Ų | 16 | 33% | 0.331 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -74.4 | 175 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1377 P1444 L1632 | Y1377-A1630 HydrophobicContact CE2-CB 4.32Å; P1444-A1630 HydrophobicContact CG-CB 4.27Å; A1630-L1632 PolarHBondContact O-N 3.5Å |
| 1631 | E | 61.5 | Low | 73.1 | Confident | 58 Ų | 58 | 12 Ų | 12 | 27% | 0.271 | 7% | 0.066 | S | C | . | . | S | Bend | trans | 67.1 | -28.8 | -174.9 | -43.4 | -170.7 | 96.9 | 0 | 0 | 115.1 | Y1377 S1633 G1634 N1671 Q1675 | Y1377-E1631 HydrophobicContact CE1-CG 4.45Å; Y1377-E1631 HydrophobicContact CE2-CG 3.89Å; Y1377-E1631 PolarHBondContact OH-OE1 2.84Å; E1631-S1633 PolarHBondContact O-N 3.38Å; E1631-G1634 PolarHBondContact O-N 3.04Å; E1631-G1634 VanDerWaalsContact O-N 3.12Å; E1631-N1671 WeakPolarHBondContact OE1-CB 2.98Å; E1631-N1671 PolarHBondContact OE1-ND2 3.46Å; E1631-Q1675 PolarHBondContact OE1-NE2 2.9Å; E1631-Q1675 PolarHBondContact OE2-NE2 3.13Å |
| 1632 | L | 72.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.016 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.8 | -20.5 | 179.7 | -57.6 | -177.9 | 0 | 0 | 0 | 114.1 | L1442 F1577 L1579 A1630 G1634 I1635 F1636 | L1442-L1632 VanDerWaalsContact CD1-C 3.42Å; L1442-L1632 HydrophobicContact CD1-CB 3.64Å; F1577-L1632 HydrophobicContact CB-CD1 3.75Å; F1577-L1632 HydrophobicContact CB-CD2 4.18Å; F1577-L1632 HydrophobicContact CD1-CB 4.18Å; F1577-L1632 HydrophobicContact CD1-CD1 3.76Å; F1577-L1632 HydrophobicContact CD1-CD2 3.51Å; F1577-L1632 HydrophobicContact CD1-CG 4Å; F1577-L1632 HydrophobicContact CD2-CD1 3.79Å; F1577-L1632 HydrophobicContact CE1-CB 3.91Å; F1577-L1632 HydrophobicContact CE1-CD1 4.19Å; F1577-L1632 HydrophobicContact CE1-CD2 4.04Å; F1577-L1632 HydrophobicContact CE1-CG 4.25Å; F1577-L1632 HydrophobicContact CE2-CD1 4.25Å; F1577-L1632 HydrophobicContact CG-CD1 3.5Å; F1577-L1632 VanDerWaalsContact CG-CD1 3.5Å; F1577-L1632 HydrophobicContact CG-CD2 4.02Å; F1577-L1632 HydrophobicContact CG-CG 4.25Å; F1577-L1632 HydrophobicContact CZ-CB 4.23Å; F1577-L1632 HydrophobicContact CZ-CD1 4.41Å; L1579-L1632 HydrophobicContact CD1-CD2 4.38Å; L1579-L1632 HydrophobicContact CD2-CD2 3.93Å; L1579-L1632 HydrophobicContact CG-CD2 4.37Å; A1630-L1632 PolarHBondContact O-N 3.5Å; L1632-G1634 VanDerWaalsContact C-N 3.29Å; L1632-G1634 PolarHBondContact O-N 3.35Å; L1632-I1635 HydrophobicContact CD2-CD1 3.96Å; L1632-I1635 WeakPolarHBondContact O-CB 3.33Å; L1632-I1635 PolarHBondContact O-N 3.36Å; L1632-F1636 PolarHBondContact O-N 3.33Å |
| 1633 | S | 81.6 | Confident | 75.3 | Confident | 14 Ų | 14 | 12.1 Ų | 12.1 | 10% | 0.098 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.5 | -33.8 | 178 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | L1442 E1631 I1637 | L1442-S1633 WeakPolarHBondContact CD1-OG 3.37Å; E1631-S1633 PolarHBondContact O-N 3.38Å; S1633-I1637 PolarHBondContact O-N 3.34Å |
| 1634 | G | 85.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E1631 L1632 T1638 L1662 V1669 | E1631-G1634 PolarHBondContact O-N 3.04Å; E1631-G1634 VanDerWaalsContact O-N 3.12Å; L1632-G1634 VanDerWaalsContact C-N 3.29Å; L1632-G1634 PolarHBondContact O-N 3.35Å; G1634-T1638 VanDerWaalsContact O-CB 3.26Å; G1634-T1638 WeakPolarHBondContact O-CB 3.16Å; G1634-T1638 PolarHBondContact O-N 3.24Å; G1634-T1638 PolarHBondContact O-OG1 3.35Å; G1634-L1662 WeakPolarHBondContact O-CD2 3.19Å; G1634-V1669 WeakPolarHBondContact CA-O 3.45Å |
| 1635 | I | 86.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.6 | -50.5 | 174.8 | -56.2 | -178.8 | 0 | 0 | 0 | 109.7 | F1577 L1632 I1637 T1638 A1639 L1670 Q1675 N1678 A1679 L1682 | F1577-I1635 HydrophobicContact CE1-CG2 4.47Å; L1632-I1635 HydrophobicContact CD2-CD1 3.96Å; L1632-I1635 WeakPolarHBondContact O-CB 3.33Å; L1632-I1635 PolarHBondContact O-N 3.36Å; I1635-I1637 PolarHBondContact O-N 2.83Å; I1635-T1638 PolarHBondContact O-N 3.08Å; I1635-A1639 WeakPolarHBondContact O-CB 3.5Å; I1635-A1639 PolarHBondContact O-N 3.25Å; I1635-L1670 HydrophobicContact CG1-CD2 4.21Å; I1635-Q1675 HydrophobicContact CD1-CB 4.02Å; I1635-Q1675 HydrophobicContact CD1-CG 4.13Å; I1635-Q1675 HydrophobicContact CG1-CB 3.97Å; I1635-Q1675 HydrophobicContact CG1-CG 4.46Å; I1635-N1678 HydrophobicContact CD1-CB 4.3Å; I1635-A1679 HydrophobicContact CG2-CB 4.18Å; I1635-L1682 HydrophobicContact CG2-CD1 3.67Å |
| 1636 | F | 88.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | -180 | -178.4 | -86.8 | 0 | 0 | 0 | 112 | V1440 F1604 I1605 V1608 V1624 L1632 A1639 S1640 | V1440-F1636 HydrophobicContact CG1-CB 4.46Å; V1440-F1636 HydrophobicContact CG1-CD1 3.92Å; V1440-F1636 HydrophobicContact CG1-CG 4.36Å; V1440-F1636 HydrophobicContact CG2-CD1 3.78Å; V1440-F1636 HydrophobicContact CG2-CE1 3.86Å; F1604-F1636 HydrophobicContact CD1-CE2 4.16Å; F1604-F1636 HydrophobicContact CE1-CE2 4.07Å; I1605-F1636 HydrophobicContact CD1-CD2 4.39Å; I1605-F1636 HydrophobicContact CG1-CD2 3.88Å; I1605-F1636 HydrophobicContact CG1-CE2 3.56Å; I1605-F1636 HydrophobicContact CG1-CZ 4.32Å; V1608-F1636 HydrophobicContact CB-CZ 4.47Å; V1608-F1636 HydrophobicContact CG1-CZ 4.28Å; V1608-F1636 HydrophobicContact CG2-CZ 4.38Å; V1624-F1636 HydrophobicContact CB-CZ 4.48Å; V1624-F1636 HydrophobicContact CG1-CE1 4.21Å; V1624-F1636 HydrophobicContact CG1-CE2 3.94Å; V1624-F1636 HydrophobicContact CG1-CZ 3.79Å; V1624-F1636 HydrophobicContact CG2-CE1 4.45Å; V1624-F1636 HydrophobicContact CG2-CZ 4.21Å; L1632-F1636 PolarHBondContact O-N 3.33Å; F1636-A1639 PolarHBondContact O-N 3.15Å; F1636-S1640 WeakPolarHBondContact O-CB 3.5Å; F1636-S1640 PolarHBondContact O-N 3Å |
| 1637 | I | 90 | Very high | 78.1 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 179.7 | -68.2 | -164.6 | 0 | 0 | 0 | 111.9 | F1402 Y1413 I1415 V1440 S1633 I1635 A1639 S1640 V1641 L1662 | F1402-I1637 HydrophobicContact CE2-CG2 3.85Å; F1402-I1637 HydrophobicContact CZ-CG2 4.21Å; Y1413-I1637 HydrophobicContact CD1-CD1 3.64Å; Y1413-I1637 HydrophobicContact CD1-CG1 3.96Å; Y1413-I1637 HydrophobicContact CD2-CD1 4.38Å; Y1413-I1637 HydrophobicContact CE1-CD1 4.36Å; Y1413-I1637 HydrophobicContact CE1-CG1 4.22Å; Y1413-I1637 HydrophobicContact CE2-CG2 4.5Å; Y1413-I1637 HydrophobicContact CG-CD1 3.65Å; Y1413-I1637 HydrophobicContact CG-CG1 4.38Å; I1415-I1637 HydrophobicContact CD1-CD1 3.69Å; I1415-I1637 HydrophobicContact CD1-CG1 4.28Å; I1415-I1637 HydrophobicContact CG1-CD1 3.48Å; I1415-I1637 VanDerWaalsContact CG1-CD1 3.48Å; I1415-I1637 HydrophobicContact CG1-CG1 4.37Å; V1440-I1637 HydrophobicContact CG2-CD1 4.09Å; V1440-I1637 HydrophobicContact CG2-CG1 4.02Å; S1633-I1637 PolarHBondContact O-N 3.34Å; I1635-I1637 PolarHBondContact O-N 2.83Å; I1637-A1639 VanDerWaalsContact C-N 3.32Å; I1637-A1639 PolarHBondContact O-N 3.38Å; I1637-S1640 PolarHBondContact O-N 3.43Å; I1637-V1641 HydrophobicContact CG2-CG2 4.02Å; I1637-V1641 WeakPolarHBondContact O-CB 3.49Å; I1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; I1637-V1641 PolarHBondContact O-N 2.91Å; I1637-L1662 HydrophobicContact CB-CD1 4.47Å; I1637-L1662 HydrophobicContact CB-CD2 4.08Å; I1637-L1662 HydrophobicContact CG2-CD1 3.93Å; I1637-L1662 HydrophobicContact CG2-CD2 4.04Å |
| 1638 | T | 91.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | G1634 I1635 G1642 V1655 I1658 A1659 L1662 A1679 I1683 | G1634-T1638 VanDerWaalsContact O-CB 3.26Å; G1634-T1638 WeakPolarHBondContact O-CB 3.16Å; G1634-T1638 PolarHBondContact O-N 3.24Å; G1634-T1638 PolarHBondContact O-OG1 3.35Å; I1635-T1638 PolarHBondContact O-N 3.08Å; T1638-G1642 PolarHBondContact O-N 3Å; T1638-V1655 HydrophobicContact CG2-CG1 4.08Å; T1638-I1658 HydrophobicContact CG2-CB 4.47Å; T1638-I1658 HydrophobicContact CG2-CG2 4.11Å; T1638-A1659 HydrophobicContact CG2-CB 4.13Å; T1638-L1662 WeakPolarHBondContact OG1-CD2 3.25Å; T1638-A1679 HydrophobicContact CG2-CB 3.84Å; T1638-I1683 HydrophobicContact CG2-CD1 4.5Å |
| 1639 | A | 91.7 | Very high | 80 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1605 I1635 F1636 I1637 V1641 G1642 I1643 L1682 I1683 | I1605-A1639 HydrophobicContact CD1-CB 3.87Å; I1635-A1639 WeakPolarHBondContact O-CB 3.5Å; I1635-A1639 PolarHBondContact O-N 3.25Å; F1636-A1639 PolarHBondContact O-N 3.15Å; I1637-A1639 VanDerWaalsContact C-N 3.32Å; I1637-A1639 PolarHBondContact O-N 3.38Å; A1639-V1641 VanDerWaalsContact C-N 3.32Å; A1639-V1641 PolarHBondContact O-N 3.44Å; A1639-G1642 PolarHBondContact O-N 3.42Å; A1639-I1643 VanDerWaalsContact O-CB 3.28Å; A1639-I1643 WeakPolarHBondContact O-CB 3.39Å; A1639-I1643 WeakPolarHBondContact O-CG1 3.38Å; A1639-I1643 PolarHBondContact O-N 2.87Å; A1639-L1682 HydrophobicContact CB-CB 3.86Å; A1639-L1682 HydrophobicContact CB-CD1 3.95Å; A1639-I1683 HydrophobicContact CB-CG1 4.28Å |
| 1640 | S | 91.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | Y1413 H1609 F1636 I1637 L1644 | Y1413-S1640 PolarHBondContact OH-OG 3.02Å; H1609-S1640 PolarHBondContact CE1-O 3.32Å; H1609-S1640 VanDerWaalsContact CE1-O 3.26Å; H1609-S1640 PolarHBondContact NE2-O 3.2Å; H1609-S1640 PolarHBondContact NE2-OG 3.26Å; F1636-S1640 WeakPolarHBondContact O-CB 3.5Å; F1636-S1640 PolarHBondContact O-N 3Å; I1637-S1640 PolarHBondContact O-N 3.43Å; S1640-L1644 WeakPolarHBondContact O-CB 3.47Å; S1640-L1644 VanDerWaalsContact O-CG 3.3Å; S1640-L1644 WeakPolarHBondContact O-CG 3.36Å; S1640-L1644 PolarHBondContact O-N 3.33Å |
| 1641 | V | 90.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -74.9 | -40.4 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | F1402 L1406 Y1413 I1637 A1639 L1644 H1645 I1658 | F1402-V1641 HydrophobicContact CD1-CG1 4.49Å; F1402-V1641 HydrophobicContact CD2-CG1 4.48Å; F1402-V1641 HydrophobicContact CD2-CG2 3.91Å; F1402-V1641 HydrophobicContact CE2-CG2 3.75Å; F1402-V1641 HydrophobicContact CG-CG1 4.4Å; F1402-V1641 HydrophobicContact CZ-CG2 4.32Å; L1406-V1641 HydrophobicContact CD1-CG1 3.36Å; Y1413-V1641 HydrophobicContact CE2-CG2 3.72Å; I1637-V1641 HydrophobicContact CG2-CG2 4.02Å; I1637-V1641 WeakPolarHBondContact O-CB 3.49Å; I1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; I1637-V1641 PolarHBondContact O-N 2.91Å; A1639-V1641 VanDerWaalsContact C-N 3.32Å; A1639-V1641 PolarHBondContact O-N 3.44Å; V1641-L1644 PolarHBondContact O-N 2.93Å; V1641-H1645 WeakPolarHBondContact O-CB 3.44Å; V1641-H1645 PolarHBondContact O-N 2.97Å; V1641-I1658 HydrophobicContact CB-CG2 4.07Å; V1641-I1658 HydrophobicContact CG1-CD1 4.33Å; V1641-I1658 HydrophobicContact CG1-CG1 4.46Å; V1641-I1658 HydrophobicContact CG1-CG2 3.86Å |
| 1642 | G | 90.6 | Very high | 83.8 | Confident | 2 Ų | 2 | 8.1 Ų | 8.1 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1638 A1639 H1645 A1646 | T1638-G1642 PolarHBondContact O-N 3Å; A1639-G1642 PolarHBondContact O-N 3.42Å; G1642-H1645 PolarHBondContact O-N 3.45Å; G1642-A1646 PolarHBondContact O-N 2.91Å; G1642-A1646 VanDerWaalsContact O-N 3.08Å |
| 1643 | I | 91.6 | Very high | 84 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.7 | -42.9 | 176.3 | -68.7 | 170.5 | 0 | 0 | 0 | 110.9 | I1605 A1639 H1645 A1646 D1647 I1683 | I1605-I1643 HydrophobicContact CG2-CD1 3.97Å; A1639-I1643 VanDerWaalsContact O-CB 3.28Å; A1639-I1643 WeakPolarHBondContact O-CB 3.39Å; A1639-I1643 WeakPolarHBondContact O-CG1 3.38Å; A1639-I1643 PolarHBondContact O-N 2.87Å; I1643-H1645 VanDerWaalsContact C-N 3.31Å; I1643-H1645 PolarHBondContact O-N 3.01Å; I1643-A1646 WeakPolarHBondContact O-CB 3.45Å; I1643-A1646 PolarHBondContact O-N 3.08Å; I1643-D1647 WeakPolarHBondContact O-CB 3.49Å; I1643-D1647 PolarHBondContact O-N 2.83Å; I1643-I1683 HydrophobicContact CG1-CG1 4.41Å |
| 1644 | L | 87.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.7 | -34.3 | 173.7 | -74.3 | 168 | 0 | 0 | 0 | 112.8 | W1409 P1411 H1609 S1640 V1641 A1646 I1648 | W1409-L1644 HydrophobicContact CE3-CB 4.29Å; W1409-L1644 HydrophobicContact CZ3-CB 3.74Å; P1411-L1644 HydrophobicContact CG-CD1 3.6Å; H1609-L1644 HydrophobicContact CB-CD2 4.22Å; H1609-L1644 WeakPolarHBondContact NE2-CG 3.46Å; S1640-L1644 WeakPolarHBondContact O-CB 3.47Å; S1640-L1644 VanDerWaalsContact O-CG 3.3Å; S1640-L1644 WeakPolarHBondContact O-CG 3.36Å; S1640-L1644 PolarHBondContact O-N 3.33Å; V1641-L1644 PolarHBondContact O-N 2.93Å; L1644-A1646 VanDerWaalsContact C-N 3.34Å; L1644-I1648 HydrophobicContact CB-CD1 4.26Å; L1644-I1648 HydrophobicContact CD2-CD1 3.91Å; L1644-I1648 VanDerWaalsContact O-CB 3.25Å; L1644-I1648 WeakPolarHBondContact O-CB 3.46Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.45Å; L1644-I1648 PolarHBondContact O-N 2.85Å |
| 1645 | H | 85.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 11.2 Ų | 11.2 | 8% | 0.079 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.2 | -161.4 | -63.8 | 0 | 0 | 0 | 111.3 | W1409 V1641 G1642 I1643 L1649 S1651 S1653 | W1409-H1645 HydrophobicContact CH2-CB 3.63Å; W1409-H1645 AromaticContact CH2-CD2 3.66Å; W1409-H1645 AromaticContact CH2-CG 3.86Å; W1409-H1645 HydrophobicContact CZ2-CB 4.3Å; W1409-H1645 AromaticContact CZ2-CD2 3.57Å; W1409-H1645 HydrophobicContact CZ3-CB 4.41Å; V1641-H1645 WeakPolarHBondContact O-CB 3.44Å; V1641-H1645 PolarHBondContact O-N 2.97Å; G1642-H1645 PolarHBondContact O-N 3.45Å; I1643-H1645 VanDerWaalsContact C-N 3.31Å; I1643-H1645 PolarHBondContact O-N 3.01Å; H1645-L1649 PolarHBondContact O-N 3.4Å; H1645-L1649 VanDerWaalsContact O-N 3.1Å; H1645-S1651 CarbonylContact C-O 3.56Å; H1645-S1651 PolarHBondContact CE1-OG 2.8Å; H1645-S1651 PolarHBondContact ND1-O 2.71Å; H1645-S1651 VanDerWaalsContact O-O 3.06Å; H1645-S1653 WeakPolarHBondContact CD2-CB 3.27Å; H1645-S1653 PolarHBondContact CD2-OG 3.28Å; H1645-S1653 PolarHBondContact ND1-N 2.81Å; H1645-S1653 WeakPolarHBondContact NE2-CB 3.37Å; H1645-S1653 PolarHBondContact NE2-OG 3.02Å |
| 1646 | A | 83.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 12.6 Ų | 12.6 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.8 | -52.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1268 F1277 G1642 I1643 L1644 G1650 S1651 M1652 | L1268-A1646 WeakPolarHBondContact CD1-O 3.29Å; F1277-A1646 HydrophobicContact CE2-CB 3.49Å; F1277-A1646 VanDerWaalsContact CE2-CB 3.49Å; F1277-A1646 HydrophobicContact CZ-CB 3.85Å; G1642-A1646 PolarHBondContact O-N 2.91Å; G1642-A1646 VanDerWaalsContact O-N 3.08Å; I1643-A1646 WeakPolarHBondContact O-CB 3.45Å; I1643-A1646 PolarHBondContact O-N 3.08Å; L1644-A1646 VanDerWaalsContact C-N 3.34Å; A1646-G1650 PolarHBondContact O-N 3.05Å; A1646-S1651 WeakPolarHBondContact CA-O 3.29Å; A1646-S1651 PolarHBondContact N-O 2.65Å; A1646-M1652 HydrophobicContact CB-CG 4.48Å |
| 1647 | D | 78.5 | Confident | 84.7 | Confident | 50 Ų | 50 | 14 Ų | 14 | 27% | 0.267 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 179.5 | -82.6 | 12.5 | 0 | 0 | 0 | 113.3 | K1613 I1643 | K1613-D1647 IonicContact NZ-OD2 3.63Å; K1613-D1647 PolarHBondContact NZ-OD2 3.45Å; I1643-D1647 WeakPolarHBondContact O-CB 3.49Å; I1643-D1647 PolarHBondContact O-N 2.83Å |
| 1648 | I | 74.9 | Confident | 84.8 | Confident | 12 Ų | 12 | 14 Ų | 14 | 6% | 0.062 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -96.9 | -35.7 | -162.5 | -62.9 | 172 | 0 | 0 | 0 | 112.7 | T1196 Y1197 W1409 L1644 | T1196-I1648 HydrophobicContact CG2-CG2 4.13Å; Y1197-I1648 WeakPolarHBondContact OH-CD1 3.32Å; W1409-I1648 HydrophobicContact CB-CD1 4.48Å; W1409-I1648 HydrophobicContact CB-CG2 4.15Å; W1409-I1648 HydrophobicContact CD2-CG2 4.38Å; W1409-I1648 HydrophobicContact CE3-CD1 3.89Å; W1409-I1648 HydrophobicContact CG-CG2 4.14Å; L1644-I1648 HydrophobicContact CB-CD1 4.26Å; L1644-I1648 HydrophobicContact CD2-CD1 3.91Å; L1644-I1648 VanDerWaalsContact O-CB 3.25Å; L1644-I1648 WeakPolarHBondContact O-CB 3.46Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.45Å; L1644-I1648 PolarHBondContact O-N 2.85Å |
| 1649 | L | 71.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 14 Ų | 14 | 8% | 0.079 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -107.2 | 9.2 | -177.4 | -61 | -175.5 | 0 | 0 | 0 | 113.2 | E1266 W1409 H1645 S1651 | E1266-L1649 CarbonylContact O-C 3.46Å; W1409-L1649 HydrophobicContact CZ2-CD1 3.62Å; W1409-L1649 HydrophobicContact CZ2-CG 4.18Å; H1645-L1649 PolarHBondContact O-N 3.4Å; H1645-L1649 VanDerWaalsContact O-N 3.1Å; L1649-S1651 WeakPolarHBondContact O-CB 3Å; L1649-S1651 PolarHBondContact O-N 2.84Å; L1649-S1651 PolarHBondContact O-OG 3.13Å |
| 1650 | G | 70.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 55.5 | 19.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1266 V1273 F1277 A1646 | E1266-G1650 WeakPolarHBondContact O-CA 3.34Å; E1266-G1650 PolarHBondContact O-N 3.47Å; V1273-G1650 VanDerWaalsContact CG1-O 3.31Å; V1273-G1650 WeakPolarHBondContact CG1-O 3.32Å; F1277-G1650 WeakPolarHBondContact CB-O 3.41Å; F1277-G1650 WeakPolarHBondContact CD2-O 3.36Å; A1646-G1650 PolarHBondContact O-N 3.05Å |
| 1651 | S | 75.9 | Confident | 84.7 | Confident | 25 Ų | 25 | 16.6 Ų | 16.6 | 18% | 0.175 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -145.6 | 144.2 | -168.7 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | H1645 A1646 L1649 | H1645-S1651 CarbonylContact C-O 3.56Å; H1645-S1651 PolarHBondContact CE1-OG 2.8Å; H1645-S1651 PolarHBondContact ND1-O 2.71Å; H1645-S1651 VanDerWaalsContact O-O 3.06Å; A1646-S1651 WeakPolarHBondContact CA-O 3.29Å; A1646-S1651 PolarHBondContact N-O 2.65Å; L1649-S1651 WeakPolarHBondContact O-CB 3Å; L1649-S1651 PolarHBondContact O-N 2.84Å; L1649-S1651 PolarHBondContact O-OG 3.13Å |
| 1652 | M | 79 | Confident | 84.7 | Confident | 25 Ų | 25 | 16.6 Ų | 16.6 | 12% | 0.123 | 9% | 0.089 | C | C | . | . | trans | -91.5 | 114.6 | 176 | -64.6 | -174.5 | 60.4 | 0 | 0 | 110.1 | F1277 A1281 L1284 A1646 I1683 A1687 | F1277-M1652 HydrophobicContact CD2-CG 3.85Å; F1277-M1652 HydrophobicContact CE2-CG 3.39Å; F1277-M1652 HydrophobicContact CE2-SD 4.2Å; F1277-M1652 HydrophobicContact CZ-CG 3.97Å; F1277-M1652 HydrophobicContact CZ-SD 4.2Å; A1281-M1652 WeakPolarHBondContact CA-SD 3.41Å; A1281-M1652 HydrophobicContact CB-SD 3.61Å; L1284-M1652 HydrophobicContact CD2-CE 3.57Å; A1646-M1652 HydrophobicContact CB-CG 4.48Å; M1652-I1683 HydrophobicContact CE-CG2 3.57Å; M1652-A1687 HydrophobicContact CE-CB 4.15Å; M1652-A1687 HydrophobicContact SD-CB 3.73Å | ||
| 1653 | S | 77.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 17 Ų | 17 | 19% | 0.189 | 9% | 0.092 | C | C | . | . | trans | -63.7 | 149.8 | 165.7 | -114.7 | 0 | 0 | 0 | 0 | 110.7 | H1645 V1655 | H1645-S1653 WeakPolarHBondContact CD2-CB 3.27Å; H1645-S1653 PolarHBondContact CD2-OG 3.28Å; H1645-S1653 PolarHBondContact ND1-N 2.81Å; H1645-S1653 WeakPolarHBondContact NE2-CB 3.37Å; H1645-S1653 PolarHBondContact NE2-OG 3.02Å; S1653-V1655 PolarHBondContact O-N 3.16Å; S1653-V1655 VanDerWaalsContact O-N 3.07Å | ||
| 1654 | D | 85.9 | Confident | 84.6 | Confident | 51 Ų | 51 | 17.3 Ų | 17.3 | 27% | 0.273 | 9% | 0.093 | S | C | . | . | trans | -59.6 | 112.6 | 173.8 | 168.1 | 29.4 | 0 | 0 | 0 | 111.1 | K1341 F1656 T1657 I1658 | K1341-D1654 WeakPolarHBondContact CE-OD2 3.32Å; K1341-D1654 IonicContact NZ-OD2 2.87Å; K1341-D1654 PolarHBondContact NZ-OD2 3.29Å; D1654-F1656 PolarHBondContact O-N 3.07Å; D1654-F1656 VanDerWaalsContact O-N 3.16Å; D1654-F1656 VanDerWaalsContact OD1-CB 3.31Å; D1654-F1656 WeakPolarHBondContact OD1-CB 3.33Å; D1654-F1656 WeakPolarHBondContact OD1-CD2 3.4Å; D1654-F1656 WeakPolarHBondContact OD1-CG 3.21Å; D1654-F1656 PolarHBondContact OD1-N 2.61Å; D1654-T1657 WeakPolarHBondContact O-CA 3.5Å; D1654-T1657 WeakPolarHBondContact O-CB 3.13Å; D1654-T1657 PolarHBondContact O-N 2.58Å; D1654-T1657 VanDerWaalsContact OD2-CB 3.32Å; D1654-T1657 WeakPolarHBondContact OD2-CB 3.31Å; D1654-T1657 PolarHBondContact OD2-N 2.88Å; D1654-T1657 PolarHBondContact OD2-OG1 2.61Å; D1654-I1658 PolarHBondContact O-N 3.36Å | ||
| 1655 | V | 89.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.03 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.7 | -36.4 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | L1284 T1638 S1653 T1657 I1658 A1659 L1676 A1680 I1683 | L1284-V1655 HydrophobicContact CD1-CG2 4.16Å; L1284-V1655 HydrophobicContact CD2-CG2 4.06Å; T1638-V1655 HydrophobicContact CG2-CG1 4.08Å; S1653-V1655 PolarHBondContact O-N 3.16Å; S1653-V1655 VanDerWaalsContact O-N 3.07Å; V1655-T1657 VanDerWaalsContact C-N 3.29Å; V1655-T1657 PolarHBondContact O-N 3.26Å; V1655-I1658 PolarHBondContact O-N 2.73Å; V1655-A1659 WeakPolarHBondContact O-CB 3.45Å; V1655-A1659 PolarHBondContact O-N 2.72Å; V1655-L1676 HydrophobicContact CG1-CD1 4.42Å; V1655-A1680 HydrophobicContact CG1-CB 4.23Å; V1655-I1683 HydrophobicContact CB-CD1 4.3Å; V1655-I1683 HydrophobicContact CG1-CD1 3.71Å; V1655-I1683 HydrophobicContact CG2-CD1 3.71Å; V1655-I1683 HydrophobicContact CG2-CG2 4.42Å |
| 1656 | F | 91.9 | Very high | 84.9 | Confident | 32 Ų | 32 | 17.3 Ų | 17.3 | 14% | 0.14 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.1 | -27.4 | 179.1 | -42.1 | -43.5 | 0 | 0 | 0 | 111.9 | W1287 A1338 K1341 V1342 D1654 G1660 L1676 | W1287-F1656 AromaticContact CD2-CZ 3.93Å; W1287-F1656 HydrophobicContact CD2-CZ 3.93Å; W1287-F1656 AromaticContact CE2-CZ 3.67Å; W1287-F1656 HydrophobicContact CE3-CZ 4.28Å; W1287-F1656 HydrophobicContact CG-CZ 4.45Å; W1287-F1656 AromaticContact CH2-CE1 3.83Å; W1287-F1656 HydrophobicContact CH2-CE1 3.83Å; W1287-F1656 HydrophobicContact CH2-CZ 4.18Å; W1287-F1656 AromaticContact CZ2-CE1 3.83Å; W1287-F1656 HydrophobicContact CZ2-CE1 3.83Å; W1287-F1656 AromaticContact CZ2-CZ 3.82Å; W1287-F1656 HydrophobicContact CZ2-CZ 3.82Å; W1287-F1656 HydrophobicContact CZ3-CE1 4.18Å; W1287-F1656 HydrophobicContact CZ3-CZ 4.4Å; A1338-F1656 HydrophobicContact CB-CD1 3.91Å; A1338-F1656 HydrophobicContact CB-CD2 4.43Å; A1338-F1656 HydrophobicContact CB-CE1 3.71Å; A1338-F1656 HydrophobicContact CB-CE2 4.25Å; A1338-F1656 HydrophobicContact CB-CG 4.28Å; A1338-F1656 HydrophobicContact CB-CZ 3.89Å; K1341-F1656 HydrophobicContact CD-CB 4.04Å; K1341-F1656 HydrophobicContact CD-CD2 4.4Å; V1342-F1656 HydrophobicContact CG2-CB 4.14Å; V1342-F1656 WeakPolarHBondContact CG2-O 3.45Å; D1654-F1656 PolarHBondContact O-N 3.07Å; D1654-F1656 VanDerWaalsContact O-N 3.16Å; D1654-F1656 VanDerWaalsContact OD1-CB 3.31Å; D1654-F1656 WeakPolarHBondContact OD1-CB 3.33Å; D1654-F1656 WeakPolarHBondContact OD1-CD2 3.4Å; D1654-F1656 WeakPolarHBondContact OD1-CG 3.21Å; D1654-F1656 PolarHBondContact OD1-N 2.61Å; F1656-G1660 PolarHBondContact O-N 3.43Å; F1656-L1676 HydrophobicContact CD1-CD1 4.16Å; F1656-L1676 HydrophobicContact CD1-CD2 3.87Å; F1656-L1676 HydrophobicContact CD1-CG 4.24Å; F1656-L1676 HydrophobicContact CE1-CD2 4.31Å |
| 1657 | T | 89.4 | Confident | 85 | Confident | 29 Ų | 29 | 22 Ų | 22 | 18% | 0.178 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -78.9 | -42.1 | 174.9 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | L1345 D1654 V1655 G1660 Y1661 | L1345-T1657 HydrophobicContact CD2-CG2 4.06Å; D1654-T1657 WeakPolarHBondContact O-CA 3.5Å; D1654-T1657 WeakPolarHBondContact O-CB 3.13Å; D1654-T1657 PolarHBondContact O-N 2.58Å; D1654-T1657 VanDerWaalsContact OD2-CB 3.32Å; D1654-T1657 WeakPolarHBondContact OD2-CB 3.31Å; D1654-T1657 PolarHBondContact OD2-N 2.88Å; D1654-T1657 PolarHBondContact OD2-OG1 2.61Å; V1655-T1657 VanDerWaalsContact C-N 3.29Å; V1655-T1657 PolarHBondContact O-N 3.26Å; T1657-G1660 PolarHBondContact O-N 2.82Å; T1657-Y1661 HydrophobicContact CG2-CD2 3.85Å; T1657-Y1661 HydrophobicContact CG2-CE2 3.3Å; T1657-Y1661 WeakPolarHBondContact O-CD2 3.19Å; T1657-Y1661 PolarHBondContact O-N 3.11Å |
| 1658 | I | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.7 | -51.4 | 172.2 | -61.4 | 169 | 0 | 0 | 0 | 110.3 | F1402 L1406 T1638 V1641 D1654 V1655 G1660 Y1661 L1662 | F1402-I1658 HydrophobicContact CE1-CG2 4.14Å; F1402-I1658 HydrophobicContact CZ-CG2 4.41Å; L1406-I1658 HydrophobicContact CD1-CG1 4.29Å; T1638-I1658 HydrophobicContact CG2-CB 4.47Å; T1638-I1658 HydrophobicContact CG2-CG2 4.11Å; V1641-I1658 HydrophobicContact CB-CG2 4.07Å; V1641-I1658 HydrophobicContact CG1-CD1 4.33Å; V1641-I1658 HydrophobicContact CG1-CG1 4.46Å; V1641-I1658 HydrophobicContact CG1-CG2 3.86Å; D1654-I1658 PolarHBondContact O-N 3.36Å; V1655-I1658 PolarHBondContact O-N 2.73Å; I1658-G1660 VanDerWaalsContact C-N 3.3Å; I1658-G1660 PolarHBondContact O-N 3.22Å; I1658-Y1661 PolarHBondContact O-N 3.14Å; I1658-L1662 PolarHBondContact O-N 3.45Å |
| 1659 | A | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1342 T1638 V1655 L1662 C1663 L1670 L1676 | V1342-A1659 HydrophobicContact CG1-CB 4.14Å; V1342-A1659 HydrophobicContact CG2-CB 3.89Å; T1638-A1659 HydrophobicContact CG2-CB 4.13Å; V1655-A1659 WeakPolarHBondContact O-CB 3.45Å; V1655-A1659 PolarHBondContact O-N 2.72Å; A1659-L1662 PolarHBondContact O-N 3.31Å; A1659-C1663 WeakPolarHBondContact O-CB 3.43Å; A1659-C1663 PolarHBondContact O-N 3.23Å; A1659-C1663 PolarHBondContact O-SG 3.05Å; A1659-C1663 VanDerWaalsContact O-SG 3.33Å; A1659-L1670 HydrophobicContact CB-CD1 3.71Å; A1659-L1676 HydrophobicContact CB-CD1 3.53Å |
| 1660 | G | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1656 T1657 I1658 C1663 Q1664 | F1656-G1660 PolarHBondContact O-N 3.43Å; T1657-G1660 PolarHBondContact O-N 2.82Å; I1658-G1660 VanDerWaalsContact C-N 3.3Å; I1658-G1660 PolarHBondContact O-N 3.22Å; G1660-C1663 PolarHBondContact O-N 3.28Å; G1660-Q1664 PolarHBondContact O-N 3.48Å |
| 1661 | Y | 91 | Very high | 86.8 | Confident | 54 Ų | 54 | 22.4 Ų | 22.4 | 21% | 0.212 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.4 | -32.7 | 176.3 | -65.3 | -40.9 | 0 | 0 | 0 | 113.3 | L1345 H1405 T1657 I1658 Q1664 Q1665 | L1345-Y1661 HydrophobicContact CD2-CD1 3.77Å; L1345-Y1661 HydrophobicContact CD2-CE1 3.65Å; L1345-Y1661 HydrophobicContact CD2-CG 4.27Å; H1405-Y1661 HydrophobicContact CB-CD2 3.97Å; H1405-Y1661 HydrophobicContact CB-CE2 3.64Å; H1405-Y1661 AromaticContact CD2-CD1 3.29Å; H1405-Y1661 WeakPolarHBondContact CD2-CD1 3.32Å; H1405-Y1661 AromaticContact CD2-CD2 3.58Å; H1405-Y1661 AromaticContact CD2-CE1 3.27Å; H1405-Y1661 WeakPolarHBondContact CD2-CE1 3.39Å; H1405-Y1661 AromaticContact CD2-CE2 3.54Å; H1405-Y1661 AromaticContact CD2-CG 3.46Å; H1405-Y1661 VanDerWaalsContact CD2-CG 3.46Å; H1405-Y1661 AromaticContact CD2-CZ 3.39Å; H1405-Y1661 AromaticContact CG-CE2 3.69Å; H1405-Y1661 AromaticContact CG-CZ 3.69Å; H1405-Y1661 AromaticContact NE2-CD1 3.57Å; H1405-Y1661 AromaticContact NE2-CE1 3.35Å; H1405-Y1661 VanDerWaalsContact NE2-CE1 3.35Å; H1405-Y1661 WeakPolarHBondContact NE2-CE1 3.38Å; H1405-Y1661 AromaticContact NE2-CZ 3.8Å; T1657-Y1661 HydrophobicContact CG2-CD2 3.85Å; T1657-Y1661 HydrophobicContact CG2-CE2 3.3Å; T1657-Y1661 WeakPolarHBondContact O-CD2 3.19Å; T1657-Y1661 PolarHBondContact O-N 3.11Å; I1658-Y1661 PolarHBondContact O-N 3.14Å; Y1661-Q1664 PolarHBondContact O-N 3.1Å; Y1661-Q1665 PolarHBondContact O-N 3.48Å; Y1661-Q1665 PolarHBondContact O-NE2 3.24Å |
| 1662 | L | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 172.5 | -172.4 | 55.9 | 0 | 0 | 0 | 110.9 | I1400 F1402 I1415 G1634 I1637 T1638 I1658 A1659 Q1665 R1666 V1669 | I1400-L1662 HydrophobicContact CD1-CD1 4.18Å; I1400-L1662 HydrophobicContact CG1-CD1 4.27Å; I1400-L1662 HydrophobicContact CG2-CD1 3.6Å; F1402-L1662 HydrophobicContact CZ-CB 4.11Å; F1402-L1662 HydrophobicContact CZ-CD1 4.13Å; I1415-L1662 HydrophobicContact CD1-CD1 4.48Å; G1634-L1662 WeakPolarHBondContact O-CD2 3.19Å; I1637-L1662 HydrophobicContact CB-CD1 4.47Å; I1637-L1662 HydrophobicContact CB-CD2 4.08Å; I1637-L1662 HydrophobicContact CG2-CD1 3.93Å; I1637-L1662 HydrophobicContact CG2-CD2 4.04Å; T1638-L1662 WeakPolarHBondContact OG1-CD2 3.25Å; I1658-L1662 PolarHBondContact O-N 3.45Å; A1659-L1662 PolarHBondContact O-N 3.31Å; L1662-Q1665 PolarHBondContact O-N 3.15Å; L1662-R1666 PolarHBondContact O-N 3.4Å; L1662-R1666 VanDerWaalsContact O-N 3.12Å; L1662-V1669 HydrophobicContact CD1-CG2 4.23Å; L1662-V1669 HydrophobicContact CD2-CG2 4.17Å; L1662-V1669 HydrophobicContact CG-CG1 3.9Å; L1662-V1669 HydrophobicContact CG-CG2 3.94Å |
| 1663 | C | 90.6 | Very high | 87.5 | Confident | 12 Ų | 12 | 22.5 Ų | 22.5 | 8% | 0.081 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -28.9 | 176.5 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | A1346 A1659 G1660 Q1665 V1669 | A1346-C1663 HydrophobicContact CB-CB 3.55Å; A1659-C1663 WeakPolarHBondContact O-CB 3.43Å; A1659-C1663 PolarHBondContact O-N 3.23Å; A1659-C1663 PolarHBondContact O-SG 3.05Å; A1659-C1663 VanDerWaalsContact O-SG 3.33Å; G1660-C1663 PolarHBondContact O-N 3.28Å; C1663-Q1665 VanDerWaalsContact C-N 3.27Å; C1663-Q1665 PolarHBondContact O-N 2.76Å; C1663-V1669 HydrophobicContact CB-CG1 4.43Å |
| 1664 | Q | 89.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 166.2 | -78.6 | -163.6 | -1.4 | 0 | 0 | 111 | L1345 S1348 S1352 F1355 Y1380 G1660 Y1661 | L1345-Q1664 VanDerWaalsContact O-CG 3.23Å; L1345-Q1664 WeakPolarHBondContact O-CG 3.37Å; L1345-Q1664 PolarHBondContact O-NE2 3.42Å; S1348-Q1664 PolarHBondContact OG-NE2 3.1Å; S1352-Q1664 VanDerWaalsContact CB-OE1 3.28Å; S1352-Q1664 PolarHBondContact OG-OE1 3.01Å; F1355-Q1664 HydrophobicContact CE2-CB 4.44Å; F1355-Q1664 VanDerWaalsContact CE2-O 3.22Å; F1355-Q1664 WeakPolarHBondContact CE2-O 3.45Å; F1355-Q1664 WeakPolarHBondContact CZ-O 3.42Å; Y1380-Q1664 WeakPolarHBondContact CE2-O 3.45Å; G1660-Q1664 PolarHBondContact O-N 3.48Å; Y1661-Q1664 PolarHBondContact O-N 3.1Å |
| 1665 | Q | 90.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -84.6 | -19.6 | -171.9 | -70.8 | -178.3 | 72.1 | 0 | 0 | 114.9 | Y1354 Y1380 N1383 I1400 D1401 Y1661 L1662 C1663 | Y1354-Q1665 HydrophobicContact CD1-CG 4.2Å; Y1354-Q1665 HydrophobicContact CD2-CG 3.96Å; Y1354-Q1665 HydrophobicContact CE1-CG 4.41Å; Y1354-Q1665 HydrophobicContact CE2-CG 4.2Å; Y1354-Q1665 HydrophobicContact CG-CG 3.99Å; Y1380-Q1665 WeakPolarHBondContact CD2-O 3.21Å; N1383-Q1665 PolarHBondContact ND2-O 2.65Å; N1383-Q1665 PolarHBondContact OD1-O 3.49Å; I1400-Q1665 HydrophobicContact CD1-CB 3.76Å; D1401-Q1665 PolarHBondContact O-NE2 2.99Å; D1401-Q1665 PolarHBondContact O-OE1 3.02Å; Y1661-Q1665 PolarHBondContact O-N 3.48Å; Y1661-Q1665 PolarHBondContact O-NE2 3.24Å; L1662-Q1665 PolarHBondContact O-N 3.15Å; C1663-Q1665 VanDerWaalsContact C-N 3.27Å; C1663-Q1665 PolarHBondContact O-N 2.76Å |
| 1666 | R | 88.5 | Confident | 87.7 | Confident | 10 Ų | 10 | 22.1 Ų | 22.1 | 4% | 0.038 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -147.1 | 132.5 | 176.5 | -177.8 | 175.9 | 175.2 | 90.3 | 2.1 | 113.6 | Y1377 N1396 S1398 I1400 L1662 G1668 V1669 | Y1377-R1666 PolarHBondContact O-NH2 3.02Å; N1396-R1666 PolarHBondContact OD1-NH2 3.46Å; S1398-R1666 PolarHBondContact OG-NH1 3.02Å; I1400-R1666 HydrophobicContact CD1-CB 4.04Å; L1662-R1666 PolarHBondContact O-N 3.4Å; L1662-R1666 VanDerWaalsContact O-N 3.12Å; R1666-G1668 PolarHBondContact O-N 2.96Å; R1666-V1669 HydrophobicContact CB-CB 4.02Å; R1666-V1669 HydrophobicContact CB-CG1 4.33Å; R1666-V1669 HydrophobicContact CG-CB 4.2Å; R1666-V1669 VanDerWaalsContact O-CG1 3.3Å; R1666-V1669 WeakPolarHBondContact O-CG1 3.41Å |
| 1667 | Y | 85.7 | Confident | 87.6 | Confident | 101 Ų | 101 | 20.9 Ų | 20.9 | 40% | 0.396 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 127.8 | 177.4 | -170.3 | -109.1 | 0 | 0 | 0 | 111.3 | N1376 V1378 Y1380 V1669 | N1376-Y1667 WeakPolarHBondContact O-CD1 3.3Å; N1376-Y1667 WeakPolarHBondContact O-CE1 3.48Å; V1378-Y1667 HydrophobicContact CG2-CD1 3.93Å; V1378-Y1667 PolarHBondContact N-O 3.42Å; V1378-Y1667 PolarHBondContact O-N 2.85Å; Y1380-Y1667 HydrophobicContact CE1-CD2 4.38Å; Y1380-Y1667 HydrophobicContact CE1-CG 4.48Å; Y1667-V1669 VanDerWaalsContact C-N 3.31Å; Y1667-V1669 PolarHBondContact O-N 2.89Å |
| 1668 | G | 80 | Confident | 87.5 | Confident | 12 Ų | 12 | 19.8 Ų | 19.8 | 12% | 0.124 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 28.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1377 R1666 N1671 | Y1377-G1668 WeakPolarHBondContact CD1-O 3.37Å; R1666-G1668 PolarHBondContact O-N 2.96Å; G1668-N1671 WeakPolarHBondContact CA-OD1 3.47Å; G1668-N1671 PolarHBondContact O-ND2 3.08Å; G1668-N1671 PolarHBondContact O-OD1 3.37Å |
| 1669 | V | 85.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 19.8 Ų | 19.8 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -73.9 | -33.6 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | I1415 G1634 L1662 C1663 R1666 Y1667 | I1415-V1669 HydrophobicContact CD1-CG2 3.51Å; G1634-V1669 WeakPolarHBondContact CA-O 3.45Å; L1662-V1669 HydrophobicContact CD1-CG2 4.23Å; L1662-V1669 HydrophobicContact CD2-CG2 4.17Å; L1662-V1669 HydrophobicContact CG-CG1 3.9Å; L1662-V1669 HydrophobicContact CG-CG2 3.94Å; C1663-V1669 HydrophobicContact CB-CG1 4.43Å; R1666-V1669 HydrophobicContact CB-CB 4.02Å; R1666-V1669 HydrophobicContact CB-CG1 4.33Å; R1666-V1669 HydrophobicContact CG-CB 4.2Å; R1666-V1669 VanDerWaalsContact O-CG1 3.3Å; R1666-V1669 WeakPolarHBondContact O-CG1 3.41Å; Y1667-V1669 VanDerWaalsContact C-N 3.31Å; Y1667-V1669 PolarHBondContact O-N 2.89Å |
| 1670 | L | 86.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -129.1 | 135.9 | 159.2 | -62.6 | 166.3 | 0 | 0 | 0 | 106.7 | W1339 I1635 A1659 Q1675 | W1339-L1670 HydrophobicContact CH2-CB 3.94Å; W1339-L1670 HydrophobicContact CZ3-CB 4.11Å; I1635-L1670 HydrophobicContact CG1-CD2 4.21Å; A1659-L1670 HydrophobicContact CB-CD1 3.71Å; L1670-Q1675 HydrophobicContact CD2-CB 3.77Å |
| 1671 | N | 80.5 | Confident | 87.3 | Confident | 59 Ų | 59 | 20.3 Ų | 20.3 | 32% | 0.316 | 10% | 0.095 | S | C | . | . | trans | -121.9 | -23.3 | -170.3 | -61 | -66.2 | 0 | 0 | 0 | 113.6 | W1339 Y1377 E1631 G1668 | W1339-N1671 VanDerWaalsContact CZ2-C 3.44Å; W1339-N1671 WeakPolarHBondContact CZ2-O 3.43Å; Y1377-N1671 WeakPolarHBondContact CE1-ND2 3.06Å; E1631-N1671 WeakPolarHBondContact OE1-CB 2.98Å; E1631-N1671 PolarHBondContact OE1-ND2 3.46Å; G1668-N1671 WeakPolarHBondContact CA-OD1 3.47Å; G1668-N1671 PolarHBondContact O-ND2 3.08Å; G1668-N1671 PolarHBondContact O-OD1 3.37Å | ||
| 1672 | N | 84.6 | Confident | 87.3 | Confident | 42 Ų | 42 | 17.7 Ų | 17.7 | 23% | 0.225 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -141.9 | 162.2 | 179.8 | 69.4 | 62 | 0 | 0 | 0 | 112.2 | Y1674 Q1675 | N1672-Y1674 VanDerWaalsContact C-N 3.32Å; N1672-Y1674 PolarHBondContact O-N 3.15Å; N1672-Y1674 WeakPolarHBondContact OD1-CA 3.12Å; N1672-Y1674 WeakPolarHBondContact OD1-CB 3.31Å; N1672-Y1674 PolarHBondContact OD1-N 3.3Å; N1672-Q1675 PolarHBondContact ND2-NE2 3.31Å; N1672-Q1675 PolarHBondContact O-N 3.31Å; N1672-Q1675 PolarHBondContact OD1-N 2.68Å |
| 1673 | S | 86.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 17.9 Ų | 17.9 | 8% | 0.077 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68 | -27.3 | -177 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | L1335 Q1675 L1676 Y1677 | L1335-S1673 WeakPolarHBondContact CD1-O 3.35Å; S1673-Q1675 VanDerWaalsContact C-N 3.3Å; S1673-Q1675 PolarHBondContact O-N 2.8Å; S1673-L1676 WeakPolarHBondContact O-CB 3.12Å; S1673-L1676 PolarHBondContact O-N 2.95Å; S1673-L1676 VanDerWaalsContact O-N 3.14Å; S1673-Y1677 PolarHBondContact O-N 3.49Å |
| 1674 | Y | 82.7 | Confident | 87.3 | Confident | 68 Ų | 68 | 17.3 Ų | 17.3 | 27% | 0.267 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -66 | -30.7 | 176.5 | -54.9 | -68.8 | 0 | 0 | 0 | 112.9 | L1335 F1463 I1581 N1672 Y1677 N1678 | L1335-Y1674 HydrophobicContact CD2-CD1 4.01Å; L1335-Y1674 HydrophobicContact CD2-CE1 4.1Å; F1463-Y1674 HydrophobicContact CE1-CE2 4.31Å; F1463-Y1674 AromaticContact CZ-CE2 3.91Å; F1463-Y1674 HydrophobicContact CZ-CE2 3.91Å; I1581-Y1674 HydrophobicContact CD1-CD1 3.64Å; I1581-Y1674 HydrophobicContact CD1-CD2 4.11Å; I1581-Y1674 HydrophobicContact CD1-CE1 3.82Å; I1581-Y1674 HydrophobicContact CD1-CE2 4.26Å; I1581-Y1674 HydrophobicContact CD1-CG 3.8Å; I1581-Y1674 HydrophobicContact CG1-CD1 4.01Å; I1581-Y1674 HydrophobicContact CG1-CE1 4.44Å; I1581-Y1674 HydrophobicContact CG1-CG 4.37Å; I1581-Y1674 HydrophobicContact CG2-CD1 4.45Å; I1581-Y1674 HydrophobicContact CG2-CE1 4.3Å; N1672-Y1674 VanDerWaalsContact C-N 3.32Å; N1672-Y1674 PolarHBondContact O-N 3.15Å; N1672-Y1674 WeakPolarHBondContact OD1-CA 3.12Å; N1672-Y1674 WeakPolarHBondContact OD1-CB 3.31Å; N1672-Y1674 PolarHBondContact OD1-N 3.3Å; Y1674-Y1677 WeakPolarHBondContact O-CB 3.25Å; Y1674-Y1677 PolarHBondContact O-N 3.48Å; Y1674-N1678 PolarHBondContact O-N 2.88Å; Y1674-N1678 PolarHBondContact O-ND2 3.38Å |
| 1675 | Q | 85.3 | Confident | 87.4 | Confident | 6 Ų | 6 | 18.9 Ų | 18.9 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 172.3 | -63.7 | 160.2 | -1.2 | 0 | 0 | 111.6 | E1631 I1635 L1670 N1672 S1673 N1678 A1679 | E1631-Q1675 PolarHBondContact OE1-NE2 2.9Å; E1631-Q1675 PolarHBondContact OE2-NE2 3.13Å; I1635-Q1675 HydrophobicContact CD1-CB 4.02Å; I1635-Q1675 HydrophobicContact CD1-CG 4.13Å; I1635-Q1675 HydrophobicContact CG1-CB 3.97Å; I1635-Q1675 HydrophobicContact CG1-CG 4.46Å; L1670-Q1675 HydrophobicContact CD2-CB 3.77Å; N1672-Q1675 PolarHBondContact ND2-NE2 3.31Å; N1672-Q1675 PolarHBondContact O-N 3.31Å; N1672-Q1675 PolarHBondContact OD1-N 2.68Å; S1673-Q1675 VanDerWaalsContact C-N 3.3Å; S1673-Q1675 PolarHBondContact O-N 2.8Å; Q1675-N1678 PolarHBondContact O-N 3.15Å; Q1675-A1679 WeakPolarHBondContact O-CB 3.45Å; Q1675-A1679 PolarHBondContact O-N 2.95Å |
| 1676 | L | 89 | Confident | 87.3 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 171.9 | -179.4 | 68.9 | 0 | 0 | 0 | 111.3 | A1338 W1339 V1342 V1655 F1656 A1659 S1673 A1679 A1680 | A1338-L1676 HydrophobicContact CB-CD2 4.15Å; W1339-L1676 HydrophobicContact CE3-CB 4.07Å; W1339-L1676 HydrophobicContact CE3-CD2 4.11Å; W1339-L1676 HydrophobicContact CZ3-CB 4.3Å; V1342-L1676 HydrophobicContact CG2-CD1 3.89Å; V1342-L1676 HydrophobicContact CG2-CD2 3.69Å; V1342-L1676 HydrophobicContact CG2-CG 4.41Å; V1655-L1676 HydrophobicContact CG1-CD1 4.42Å; F1656-L1676 HydrophobicContact CD1-CD1 4.16Å; F1656-L1676 HydrophobicContact CD1-CD2 3.87Å; F1656-L1676 HydrophobicContact CD1-CG 4.24Å; F1656-L1676 HydrophobicContact CE1-CD2 4.31Å; A1659-L1676 HydrophobicContact CB-CD1 3.53Å; S1673-L1676 WeakPolarHBondContact O-CB 3.12Å; S1673-L1676 PolarHBondContact O-N 2.95Å; S1673-L1676 VanDerWaalsContact O-N 3.14Å; L1676-A1679 PolarHBondContact O-N 2.98Å; L1676-A1680 WeakPolarHBondContact O-CB 3.32Å; L1676-A1680 PolarHBondContact O-N 3.5Å |
| 1677 | Y | 89.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.027 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.3 | 176.6 | -111.8 | 0 | 0 | 0 | 112.1 | W1287 L1288 P1291 S1673 Y1674 A1680 R1681 | W1287-Y1677 HydrophobicContact CZ3-CD2 4.18Å; L1288-Y1677 HydrophobicContact CD2-CD2 3.65Å; L1288-Y1677 HydrophobicContact CD2-CE2 3.5Å; L1288-Y1677 PolarHBondContact O-OH 3.42Å; P1291-Y1677 HydrophobicContact CB-CD2 3.87Å; P1291-Y1677 HydrophobicContact CB-CE2 3.79Å; P1291-Y1677 HydrophobicContact CG-CD2 4.15Å; P1291-Y1677 HydrophobicContact CG-CE2 3.59Å; S1673-Y1677 PolarHBondContact O-N 3.49Å; Y1674-Y1677 WeakPolarHBondContact O-CB 3.25Å; Y1674-Y1677 PolarHBondContact O-N 3.48Å; Y1677-A1680 CarbonylContact O-C 3.59Å; Y1677-A1680 WeakPolarHBondContact O-CB 3.28Å; Y1677-A1680 PolarHBondContact O-N 3.46Å; Y1677-R1681 HydrophobicContact CE1-CG 4.18Å; Y1677-R1681 HydrophobicContact CE2-CG 4.27Å; Y1677-R1681 WeakPolarHBondContact O-CG 3.29Å; Y1677-R1681 PolarHBondContact O-N 3.03Å |
| 1678 | N | 86.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | 177.7 | -71.6 | -27.7 | 0 | 0 | 0 | 112.7 | P1578 I1635 Y1674 Q1675 A1680 R1681 L1682 | P1578-N1678 VanDerWaalsContact O-CG 3.28Å; P1578-N1678 PolarHBondContact O-ND2 3.12Å; P1578-N1678 VanDerWaalsContact O-ND2 3.12Å; I1635-N1678 HydrophobicContact CD1-CB 4.3Å; Y1674-N1678 PolarHBondContact O-N 2.88Å; Y1674-N1678 PolarHBondContact O-ND2 3.38Å; Q1675-N1678 PolarHBondContact O-N 3.15Å; N1678-A1680 VanDerWaalsContact C-N 3.35Å; N1678-R1681 PolarHBondContact O-N 3.4Å; N1678-L1682 WeakPolarHBondContact O-CG 3.23Å; N1678-L1682 PolarHBondContact O-N 2.93Å; N1678-L1682 VanDerWaalsContact O-N 3.1Å |
| 1679 | A | 89.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1635 T1638 Q1675 L1676 L1682 I1683 | I1635-A1679 HydrophobicContact CG2-CB 4.18Å; T1638-A1679 HydrophobicContact CG2-CB 3.84Å; Q1675-A1679 WeakPolarHBondContact O-CB 3.45Å; Q1675-A1679 PolarHBondContact O-N 2.95Å; L1676-A1679 PolarHBondContact O-N 2.98Å; A1679-L1682 PolarHBondContact O-N 3.23Å; A1679-I1683 WeakPolarHBondContact O-CD1 3.46Å; A1679-I1683 VanDerWaalsContact O-CG1 3.32Å; A1679-I1683 WeakPolarHBondContact O-CG1 3.24Å; A1679-I1683 PolarHBondContact O-N 2.89Å; A1679-I1683 VanDerWaalsContact O-N 3.15Å |
| 1680 | A | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1284 W1287 L1288 V1655 L1676 Y1677 N1678 L1682 I1683 G1684 | L1284-A1680 HydrophobicContact CD1-CB 4.17Å; W1287-A1680 HydrophobicContact CZ3-CB 3.89Å; L1288-A1680 HydrophobicContact CD2-CB 3.85Å; V1655-A1680 HydrophobicContact CG1-CB 4.23Å; L1676-A1680 WeakPolarHBondContact O-CB 3.32Å; L1676-A1680 PolarHBondContact O-N 3.5Å; Y1677-A1680 CarbonylContact O-C 3.59Å; Y1677-A1680 WeakPolarHBondContact O-CB 3.28Å; Y1677-A1680 PolarHBondContact O-N 3.46Å; N1678-A1680 VanDerWaalsContact C-N 3.35Å; A1680-L1682 PolarHBondContact O-N 3.2Å; A1680-I1683 PolarHBondContact O-N 2.94Å; A1680-G1684 PolarHBondContact O-N 2.85Å |
| 1681 | R | 90.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 174.7 | -71.6 | 176.9 | 74 | -149 | 2.9 | 111.9 | L1288 S1592 D1595 I1598 Y1677 N1678 G1684 Y1685 | L1288-R1681 HydrophobicContact CD2-CG 3.82Å; S1592-R1681 PolarHBondContact O-NH2 2.94Å; D1595-R1681 VanDerWaalsContact CB-NH2 3.31Å; D1595-R1681 IonicContact OD2-CZ 2.99Å; D1595-R1681 IonicContact OD2-NH1 3.77Å; D1595-R1681 PolarHBondContact OD2-NH1 3.48Å; D1595-R1681 IonicContact OD2-NH2 3Å; D1595-R1681 PolarHBondContact OD2-NH2 2.96Å; I1598-R1681 HydrophobicContact CD1-CB 3.44Å; I1598-R1681 VanDerWaalsContact CD1-CB 3.44Å; I1598-R1681 HydrophobicContact CD1-CG 4.27Å; Y1677-R1681 HydrophobicContact CE1-CG 4.18Å; Y1677-R1681 HydrophobicContact CE2-CG 4.27Å; Y1677-R1681 WeakPolarHBondContact O-CG 3.29Å; Y1677-R1681 PolarHBondContact O-N 3.03Å; N1678-R1681 PolarHBondContact O-N 3.4Å; R1681-G1684 PolarHBondContact O-N 3.41Å; R1681-Y1685 WeakPolarHBondContact O-CB 3.43Å; R1681-Y1685 PolarHBondContact O-N 3.37Å |
| 1682 | L | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.3 | -69.3 | 166.6 | 0 | 0 | 0 | 112.1 | P1578 I1598 L1601 V1602 I1605 I1635 A1639 N1678 A1679 A1680 S1686 | P1578-L1682 HydrophobicContact CG-CD2 4.48Å; I1598-L1682 HydrophobicContact CB-CD2 4.39Å; I1598-L1682 HydrophobicContact CG1-CD2 4.13Å; I1598-L1682 HydrophobicContact CG2-CD2 4.23Å; L1601-L1682 HydrophobicContact CB-CD2 4.03Å; L1601-L1682 HydrophobicContact CD2-CD1 3.78Å; L1601-L1682 HydrophobicContact CD2-CD2 3.82Å; L1601-L1682 HydrophobicContact CD2-CG 4.46Å; L1601-L1682 HydrophobicContact CG-CD1 4.36Å; L1601-L1682 HydrophobicContact CG-CD2 3.92Å; V1602-L1682 HydrophobicContact CG2-CB 4.24Å; V1602-L1682 HydrophobicContact CG2-CD2 3.73Å; V1602-L1682 WeakPolarHBondContact CG2-O 3.27Å; I1605-L1682 HydrophobicContact CD1-CD1 4.49Å; I1635-L1682 HydrophobicContact CG2-CD1 3.67Å; A1639-L1682 HydrophobicContact CB-CB 3.86Å; A1639-L1682 HydrophobicContact CB-CD1 3.95Å; N1678-L1682 WeakPolarHBondContact O-CG 3.23Å; N1678-L1682 PolarHBondContact O-N 2.93Å; N1678-L1682 VanDerWaalsContact O-N 3.1Å; A1679-L1682 PolarHBondContact O-N 3.23Å; A1680-L1682 PolarHBondContact O-N 3.2Å; L1682-S1686 PolarHBondContact O-N 2.97Å |
| 1683 | I | 91.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.3 | -60.2 | 162.6 | 0 | 0 | 0 | 110.4 | L1284 T1638 A1639 I1643 M1652 V1655 A1679 A1680 S1686 A1687 | L1284-I1683 HydrophobicContact CD2-CB 4.42Å; L1284-I1683 HydrophobicContact CD2-CG2 4.27Å; T1638-I1683 HydrophobicContact CG2-CD1 4.5Å; A1639-I1683 HydrophobicContact CB-CG1 4.28Å; I1643-I1683 HydrophobicContact CG1-CG1 4.41Å; M1652-I1683 HydrophobicContact CE-CG2 3.57Å; V1655-I1683 HydrophobicContact CB-CD1 4.3Å; V1655-I1683 HydrophobicContact CG1-CD1 3.71Å; V1655-I1683 HydrophobicContact CG2-CD1 3.71Å; V1655-I1683 HydrophobicContact CG2-CG2 4.42Å; A1679-I1683 WeakPolarHBondContact O-CD1 3.46Å; A1679-I1683 VanDerWaalsContact O-CG1 3.32Å; A1679-I1683 WeakPolarHBondContact O-CG1 3.24Å; A1679-I1683 PolarHBondContact O-N 2.89Å; A1679-I1683 VanDerWaalsContact O-N 3.15Å; A1680-I1683 PolarHBondContact O-N 2.94Å; I1683-S1686 PolarHBondContact O-N 2.87Å; I1683-A1687 WeakPolarHBondContact O-CB 3.17Å; I1683-A1687 PolarHBondContact O-N 2.93Å |
| 1684 | G | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A1680 R1681 A1687 I1688 | A1680-G1684 PolarHBondContact O-N 2.85Å; R1681-G1684 PolarHBondContact O-N 3.41Å; G1684-A1687 PolarHBondContact O-N 2.83Å; G1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; G1684-I1688 PolarHBondContact O-N 2.67Å |
| 1685 | Y | 90.1 | Very high | 86.3 | Confident | 38 Ų | 38 | 17.9 Ų | 17.9 | 15% | 0.149 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.4 | -174.6 | -84.4 | 0 | 0 | 0 | 111.4 | M1593 I1598 V1599 V1602 R1681 A1687 I1688 E1689 | M1593-Y1685 WeakPolarHBondContact O-CD2 3.15Å; M1593-Y1685 WeakPolarHBondContact O-CE2 3.38Å; M1593-Y1685 HydrophobicContact SD-CD2 4.2Å; I1598-Y1685 HydrophobicContact CG2-CD1 4.21Å; I1598-Y1685 HydrophobicContact CG2-CD2 3.84Å; I1598-Y1685 HydrophobicContact CG2-CG 3.58Å; V1599-Y1685 HydrophobicContact CG1-CE1 4.45Å; V1599-Y1685 HydrophobicContact CG2-CE1 4.47Å; V1599-Y1685 HydrophobicContact CG2-CE2 3.91Å; V1602-Y1685 HydrophobicContact CB-CD1 4.03Å; V1602-Y1685 HydrophobicContact CG1-CD1 4.12Å; V1602-Y1685 HydrophobicContact CG2-CD1 3.91Å; V1602-Y1685 HydrophobicContact CG2-CG 4.47Å; R1681-Y1685 WeakPolarHBondContact O-CB 3.43Å; R1681-Y1685 PolarHBondContact O-N 3.37Å; Y1685-A1687 VanDerWaalsContact C-N 3.26Å; Y1685-A1687 PolarHBondContact O-N 2.97Å; Y1685-I1688 WeakPolarHBondContact O-CB 3.08Å; Y1685-I1688 PolarHBondContact O-N 2.75Å; Y1685-E1689 HydrophobicContact CE1-CB 4.42Å; Y1685-E1689 PolarHBondContact O-N 3.07Å |
| 1686 | S | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -33.3 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | H1606 L1682 I1683 E1689 T1690 | H1606-S1686 PolarHBondContact NE2-OG 2.98Å; L1682-S1686 PolarHBondContact O-N 2.97Å; I1683-S1686 PolarHBondContact O-N 2.87Å; S1686-E1689 PolarHBondContact O-N 3Å; S1686-T1690 WeakPolarHBondContact O-CB 3.33Å; S1686-T1690 PolarHBondContact O-N 2.92Å; S1686-T1690 PolarHBondContact O-OG1 2.79Å |
| 1687 | A | 88.9 | Confident | 85 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F1277 A1281 M1652 I1683 G1684 Y1685 L1691 | F1277-A1687 HydrophobicContact CE1-CB 4.24Å; F1277-A1687 HydrophobicContact CZ-CB 4.08Å; A1281-A1687 HydrophobicContact CB-CB 3.9Å; M1652-A1687 HydrophobicContact CE-CB 4.15Å; M1652-A1687 HydrophobicContact SD-CB 3.73Å; I1683-A1687 WeakPolarHBondContact O-CB 3.17Å; I1683-A1687 PolarHBondContact O-N 2.93Å; G1684-A1687 PolarHBondContact O-N 2.83Å; Y1685-A1687 VanDerWaalsContact C-N 3.26Å; Y1685-A1687 PolarHBondContact O-N 2.97Å; A1687-L1691 WeakPolarHBondContact O-CB 3.44Å; A1687-L1691 PolarHBondContact O-N 2.84Å |
| 1688 | I | 86.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 24.9 Ų | 24.9 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 168.4 | -66 | 164.1 | 0 | 0 | 0 | 109.9 | L1285 M1593 G1684 Y1685 T1690 L1691 A1692 I1698 | L1285-I1688 HydrophobicContact CD1-CD1 3.87Å; L1285-I1688 HydrophobicContact CD1-CG1 3.77Å; L1285-I1688 HydrophobicContact CD2-CD1 3.7Å; L1285-I1688 HydrophobicContact CD2-CG1 4.15Å; L1285-I1688 HydrophobicContact CG-CD1 4.45Å; M1593-I1688 HydrophobicContact CG-CD1 4.02Å; M1593-I1688 HydrophobicContact SD-CD1 4.39Å; G1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; G1684-I1688 PolarHBondContact O-N 2.67Å; Y1685-I1688 WeakPolarHBondContact O-CB 3.08Å; Y1685-I1688 PolarHBondContact O-N 2.75Å; I1688-T1690 PolarHBondContact O-N 2.83Å; I1688-L1691 CarbonylContact O-C 3.59Å; I1688-L1691 PolarHBondContact O-N 3.14Å; I1688-A1692 WeakPolarHBondContact O-CB 3.42Å; I1688-A1692 PolarHBondContact O-N 3.3Å; I1688-I1698 HydrophobicContact CG1-CD1 4.09Å; I1688-I1698 HydrophobicContact CG1-CG1 4.2Å |
| 1689 | E | 86.2 | Confident | 83.1 | Confident | 42 Ų | 42 | 26.1 Ų | 26.1 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | -178.4 | -161.9 | -165.3 | 141.8 | 0 | 0 | 112.2 | H1606 Y1685 S1686 A1692 K1693 | H1606-E1689 IonicContact CE1-OE1 2.66Å; H1606-E1689 IonicContact CE1-OE2 3.87Å; H1606-E1689 PolarHBondContact CE1-OE2 3.36Å; H1606-E1689 IonicContact ND1-OE1 3.42Å; H1606-E1689 IonicContact ND1-OE2 3.23Å; Y1685-E1689 HydrophobicContact CE1-CB 4.42Å; Y1685-E1689 PolarHBondContact O-N 3.07Å; S1686-E1689 PolarHBondContact O-N 3Å; E1689-A1692 PolarHBondContact O-N 3.26Å; E1689-K1693 WeakPolarHBondContact O-CG 3.5Å; E1689-K1693 PolarHBondContact O-N 2.58Å; E1689-K1693 WeakPolarHBondContact OE1-CE 3.35Å; E1689-K1693 IonicContact OE1-NZ 2.65Å; E1689-K1693 PolarHBondContact OE1-NZ 3.27Å |
| 1690 | T | 85.4 | Confident | 81.9 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | L1268 F1277 S1686 I1688 K1694 | L1268-T1690 HydrophobicContact CD1-CG2 4Å; F1277-T1690 HydrophobicContact CE1-CG2 4.43Å; F1277-T1690 HydrophobicContact CZ-CG2 4.49Å; S1686-T1690 WeakPolarHBondContact O-CB 3.33Å; S1686-T1690 PolarHBondContact O-N 2.92Å; S1686-T1690 PolarHBondContact O-OG1 2.79Å; I1688-T1690 PolarHBondContact O-N 2.83Å; T1690-K1694 PolarHBondContact O-N 3.22Å |
| 1691 | L | 83.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.2 | -25.1 | 174.2 | -75.6 | 164.4 | 0 | 0 | 0 | 112.9 | L1274 F1277 I1278 A1281 A1687 I1688 K1694 D1695 I1696 I1698 | L1274-L1691 HydrophobicContact CD1-CD2 3.61Å; F1277-L1691 HydrophobicContact CD1-CD1 3.72Å; F1277-L1691 HydrophobicContact CD1-CD2 4.09Å; F1277-L1691 HydrophobicContact CD1-CG 3.86Å; F1277-L1691 HydrophobicContact CE1-CD1 3.8Å; F1277-L1691 HydrophobicContact CE1-CG 3.84Å; I1278-L1691 HydrophobicContact CD1-CD2 4.31Å; I1278-L1691 HydrophobicContact CG1-CD1 3.9Å; I1278-L1691 HydrophobicContact CG1-CD2 3.67Å; I1278-L1691 HydrophobicContact CG1-CG 4.48Å; A1281-L1691 HydrophobicContact CB-CD1 4.26Å; A1687-L1691 WeakPolarHBondContact O-CB 3.44Å; A1687-L1691 PolarHBondContact O-N 2.84Å; I1688-L1691 CarbonylContact O-C 3.59Å; I1688-L1691 PolarHBondContact O-N 3.14Å; L1691-K1694 CarbonylContact O-C 3.32Å; L1691-K1694 WeakPolarHBondContact O-CA 3.49Å; L1691-K1694 PolarHBondContact O-N 3.05Å; L1691-D1695 PolarHBondContact O-N 3.39Å; L1691-D1695 VanDerWaalsContact O-N 3.12Å; L1691-I1696 CarbonylContact C-O 3.36Å; L1691-I1696 HydrophobicContact CB-CB 4.21Å; L1691-I1696 HydrophobicContact CB-CG2 4.31Å; L1691-I1696 WeakPolarHBondContact CB-O 3.26Å; L1691-I1696 HydrophobicContact CD2-CB 4.04Å; L1691-I1696 HydrophobicContact CD2-CD1 4.17Å; L1691-I1696 HydrophobicContact CD2-CG2 3.93Å; L1691-I1696 PolarHBondContact O-N 2.93Å; L1691-I1698 HydrophobicContact CB-CG1 4.31Å; L1691-I1698 HydrophobicContact CD1-CD1 3.44Å; L1691-I1698 VanDerWaalsContact CD1-CD1 3.44Å; L1691-I1698 HydrophobicContact CD1-CG1 3.78Å; L1691-I1698 HydrophobicContact CD1-CG2 3.94Å |
| 1692 | A | 80 | Confident | 77.6 | Confident | 53 Ų | 53 | 41 Ų | 41 | 44% | 0.438 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -76.9 | -28.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1688 E1689 K1694 D1695 | I1688-A1692 WeakPolarHBondContact O-CB 3.42Å; I1688-A1692 PolarHBondContact O-N 3.3Å; E1689-A1692 PolarHBondContact O-N 3.26Å; A1692-K1694 PolarHBondContact O-N 3.42Å; A1692-D1695 PolarHBondContact O-N 2.68Å |
| 1693 | K | 79 | Confident | 74.7 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19.3 | 165.2 | -74 | 167.4 | -172.6 | 164 | 0 | 112.5 | D409 K410 E1689 | D409-K1693 CarbonylContact C-O 3.55Å; K410-K1693 WeakPolarHBondContact CA-O 3.4Å; K410-K1693 WeakPolarHBondContact CG-O 3.16Å; K410-K1693 PolarHBondContact N-O 2.83Å; K410-K1693 VanDerWaalsContact N-O 3.12Å; E1689-K1693 WeakPolarHBondContact O-CG 3.5Å; E1689-K1693 PolarHBondContact O-N 2.58Å; E1689-K1693 WeakPolarHBondContact OE1-CE 3.35Å; E1689-K1693 IonicContact OE1-NZ 2.65Å; E1689-K1693 PolarHBondContact OE1-NZ 3.27Å |
| 1694 | K | 74.1 | Confident | 71.7 | Confident | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 50.5 | 166.7 | -59.3 | -170.8 | -164.6 | -63 | 0 | 110.6 | D409 S413 L1268 L1274 T1690 L1691 A1692 I1696 | D409-K1694 HydrophobicContact CB-CG 4.11Å; D409-K1694 WeakPolarHBondContact O-CA 3.45Å; D409-K1694 IonicContact OD1-NZ 2.59Å; D409-K1694 PolarHBondContact OD1-NZ 2.83Å; D409-K1694 IonicContact OD2-NZ 2.65Å; D409-K1694 PolarHBondContact OD2-NZ 3.19Å; S413-K1694 VanDerWaalsContact CB-C 3.47Å; S413-K1694 WeakPolarHBondContact CB-O 3.39Å; S413-K1694 WeakPolarHBondContact OG-CA 3.38Å; S413-K1694 WeakPolarHBondContact OG-CB 3.44Å; S413-K1694 PolarHBondContact OG-O 2.73Å; L1268-K1694 VanDerWaalsContact O-CE 3.31Å; L1268-K1694 WeakPolarHBondContact O-CE 3.29Å; L1274-K1694 HydrophobicContact CD1-CD 4.25Å; T1690-K1694 PolarHBondContact O-N 3.22Å; L1691-K1694 CarbonylContact O-C 3.32Å; L1691-K1694 WeakPolarHBondContact O-CA 3.49Å; L1691-K1694 PolarHBondContact O-N 3.05Å; A1692-K1694 PolarHBondContact O-N 3.42Å; K1694-I1696 VanDerWaalsContact O-CB 3.32Å; K1694-I1696 WeakPolarHBondContact O-CB 3.32Å; K1694-I1696 VanDerWaalsContact O-CD1 3.3Å; K1694-I1696 WeakPolarHBondContact O-CD1 3.29Å; K1694-I1696 WeakPolarHBondContact O-CG1 3.3Å; K1694-I1696 PolarHBondContact O-N 2.9Å |
| 1695 | D | 76.5 | Confident | 68.7 | Low | 50 Ų | 50 | 62.1 Ų | 62.1 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38 | 19.1 | 169 | -72.8 | 9.1 | 0 | 0 | 0 | 119.5 | K410 S413 T414 Y416 L1691 A1692 | K410-D1695 VanDerWaalsContact C-CG 3.48Å; K410-D1695 WeakPolarHBondContact CA-OD1 3.47Å; K410-D1695 WeakPolarHBondContact CB-OD1 3.14Å; K410-D1695 WeakPolarHBondContact CG-OD1 3.32Å; K410-D1695 VanDerWaalsContact O-CB 3.27Å; K410-D1695 WeakPolarHBondContact O-CB 3.33Å; S413-D1695 PolarHBondContact OG-N 3.5Å; T414-D1695 HydrophobicContact CG2-CB 3.98Å; T414-D1695 VanDerWaalsContact CG2-OD2 3.31Å; T414-D1695 WeakPolarHBondContact CG2-OD2 3.45Å; T414-D1695 PolarHBondContact OG1-OD2 2.96Å; Y416-D1695 PolarHBondContact OH-O 2.9Å; L1691-D1695 PolarHBondContact O-N 3.39Å; L1691-D1695 VanDerWaalsContact O-N 3.12Å; A1692-D1695 PolarHBondContact O-N 2.68Å |
| 1696 | I | 73.3 | Confident | 65.7 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | trans | -107.2 | 99.3 | -172.6 | -73.6 | 154.4 | 0 | 0 | 0 | 107.5 | Y416 L1274 I1278 L1691 K1694 I1698 | Y416-I1696 HydrophobicContact CE1-CG1 3.86Å; Y416-I1696 WeakPolarHBondContact OH-CA 3.36Å; L1274-I1696 HydrophobicContact CD1-CD1 4.18Å; L1274-I1696 HydrophobicContact CD2-CD1 3.94Å; L1274-I1696 HydrophobicContact CG-CD1 4.32Å; I1278-I1696 HydrophobicContact CD1-CD1 4.24Å; I1278-I1696 HydrophobicContact CD1-CG2 3.87Å; I1278-I1696 HydrophobicContact CG1-CG2 4.05Å; L1691-I1696 CarbonylContact C-O 3.36Å; L1691-I1696 HydrophobicContact CB-CB 4.21Å; L1691-I1696 HydrophobicContact CB-CG2 4.31Å; L1691-I1696 WeakPolarHBondContact CB-O 3.26Å; L1691-I1696 HydrophobicContact CD2-CB 4.04Å; L1691-I1696 HydrophobicContact CD2-CD1 4.17Å; L1691-I1696 HydrophobicContact CD2-CG2 3.93Å; L1691-I1696 PolarHBondContact O-N 2.93Å; K1694-I1696 VanDerWaalsContact O-CB 3.32Å; K1694-I1696 WeakPolarHBondContact O-CB 3.32Å; K1694-I1696 VanDerWaalsContact O-CD1 3.3Å; K1694-I1696 WeakPolarHBondContact O-CD1 3.29Å; K1694-I1696 WeakPolarHBondContact O-CG1 3.3Å; K1694-I1696 PolarHBondContact O-N 2.9Å; I1696-I1698 VanDerWaalsContact C-N 3.33Å; I1696-I1698 HydrophobicContact CG2-CG2 4.13Å; I1696-I1698 PolarHBondContact O-N 3.25Å | ||
| 1697 | V | 72.4 | Confident | 62.9 | Low | 135 Ų | 135 | 72 Ų | 72 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | trans | -78.7 | 85.2 | 179.7 | -174.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1698 | I | 71.8 | Confident | 59.9 | Low | 14 Ų | 14 | 79.2 Ų | 79.2 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | trans | -75.9 | 136.3 | 164.9 | 50.7 | 159.3 | 0 | 0 | 0 | 110.9 | I1278 A1281 E1282 L1285 I1688 L1691 I1696 | I1278-I1698 HydrophobicContact CG1-CG2 4.45Å; I1278-I1698 HydrophobicContact CG2-CG2 3.88Å; A1281-I1698 HydrophobicContact CB-CD1 3.49Å; A1281-I1698 VanDerWaalsContact CB-CD1 3.49Å; E1282-I1698 HydrophobicContact CG-CB 4.16Å; E1282-I1698 HydrophobicContact CG-CG2 3.82Å; L1285-I1698 HydrophobicContact CD1-CB 4.48Å; L1285-I1698 HydrophobicContact CD1-CD1 3.83Å; L1285-I1698 HydrophobicContact CD1-CG1 4.25Å; I1688-I1698 HydrophobicContact CG1-CD1 4.09Å; I1688-I1698 HydrophobicContact CG1-CG1 4.2Å; L1691-I1698 HydrophobicContact CB-CG1 4.31Å; L1691-I1698 HydrophobicContact CD1-CD1 3.44Å; L1691-I1698 VanDerWaalsContact CD1-CD1 3.44Å; L1691-I1698 HydrophobicContact CD1-CG1 3.78Å; L1691-I1698 HydrophobicContact CD1-CG2 3.94Å; I1696-I1698 VanDerWaalsContact C-N 3.33Å; I1696-I1698 HydrophobicContact CG2-CG2 4.13Å; I1696-I1698 PolarHBondContact O-N 3.25Å | ||
| 1699 | G | 65.1 | Low | 57.2 | Low | 32 Ų | 32 | 83.3 Ų | 83.3 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | trans | -119.7 | 177.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1701 | G1699-R1701 PolarHBondContact O-N 3.42Š| ||
| 1700 | P | 63.8 | Low | 54.5 | Low | 47 Ų | 47 | 86.2 Ų | 86.2 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | trans | -55.8 | 132.3 | 160.1 | -17.2 | 30.4 | 0 | 0 | 0 | 109.4 | L1285 E1289 H1702 | L1285-P1700 HydrophobicContact CB-CB 4.35Å; L1285-P1700 HydrophobicContact CB-CG 4.2Å; E1289-P1700 HydrophobicContact CG-CB 3.55Å; E1289-P1700 HydrophobicContact CG-CG 3.54Å; E1289-P1700 WeakPolarHBondContact OE1-CB 3.29Å; E1289-P1700 WeakPolarHBondContact OE2-CB 3.29Å; P1700-H1702 PolarHBondContact O-N 2.76Å | ||
| 1701 | R | 50.3 | Low | 51.7 | Low | 133 Ų | 133 | 91.1 Ų | 91.1 | 50% | 0.502 | 52% | 0.516 | S | S | . | . | trans | -67.5 | 97.5 | 168.2 | -72.1 | -175.9 | -177.8 | -174.8 | 8.2 | 108.7 | E1282 T1286 G1699 R1703 | E1282-R1701 HydrophobicContact CB-CG 4.19Å; E1282-R1701 HydrophobicContact CG-CG 4.44Å; E1282-R1701 WeakPolarHBondContact OE1-CG 3.34Å; E1282-R1701 IonicContact OE1-CZ 2.74Å; E1282-R1701 IonicContact OE1-NE 2.59Å; E1282-R1701 PolarHBondContact OE1-NE 3.16Å; E1282-R1701 IonicContact OE1-NH2 2.74Å; E1282-R1701 IonicContact OE2-CZ 3.3Å; E1282-R1701 IonicContact OE2-NE 2.66Å; E1282-R1701 PolarHBondContact OE2-NE 2.92Å; E1282-R1701 IonicContact OE2-NH2 3.06Å; E1282-R1701 PolarHBondContact OE2-NH2 2.67Å; T1286-R1701 PolarHBondContact OG1-N 3.38Å; T1286-R1701 PolarHBondContact OG1-O 2.99Å; G1699-R1701 PolarHBondContact O-N 3.42Å; R1701-R1703 PolarHBondContact O-N 3.49Å | ||
| 1702 | H | 40.7 | Very low | 49.2 | Very low | 143 Ų | 143 | 96.9 Ų | 96.9 | 66% | 0.662 | 55% | 0.551 | S | S | * | * | trans | -58.5 | 101 | 163.2 | -69.2 | -29.6 | 0 | 0 | 0 | 108.4 | E1289 P1700 S1704 | E1289-H1702 IonicContact OE1-CE1 2.68Å; E1289-H1702 PolarHBondContact OE1-CE1 3.12Å; E1289-H1702 VanDerWaalsContact OE1-CE1 3.23Å; E1289-H1702 IonicContact OE1-ND1 2.59Å; E1289-H1702 PolarHBondContact OE1-ND1 3.45Å; P1700-H1702 PolarHBondContact O-N 2.76Å; H1702-S1704 PolarHBondContact O-N 2.94Å; H1702-S1704 VanDerWaalsContact O-N 3.1Å | ||
| 1703 | R | 30.6 | Very low | 46.8 | Very low | 228 Ų | 228 | 99.9 Ų | 99.9 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | trans | -59.9 | 115.5 | 160 | -92.5 | -171.6 | 170.7 | -173.5 | -2.9 | 106.6 | R1701 S1705 | R1701-R1703 PolarHBondContact O-N 3.49Å; R1703-S1705 PolarHBondContact O-N 3.31Å | ||
| 1704 | S | 27.3 | Very low | 44.4 | Very low | 112 Ų | 112 | 103 Ų | 103 | 78% | 0.783 | 59% | 0.59 | S | S | * | * | trans | -65.3 | 80 | 165 | 34.6 | 0 | 0 | 0 | 0 | 109.1 | H1702 S1706 | H1702-S1704 PolarHBondContact O-N 2.94Å; H1702-S1704 VanDerWaalsContact O-N 3.1Å; S1704-S1706 PolarHBondContact O-N 3.49Å | ||
| 1705 | S | 27.8 | Very low | 42.3 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | trans | -62 | 87.6 | 165.5 | -67 | 0 | 0 | 0 | 0 | 108.2 | R1703 T1707 | R1703-S1705 PolarHBondContact O-N 3.31Å; S1705-T1707 PolarHBondContact O-N 2.94Å | ||
| 1706 | S | 26.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 113.4 Ų | 113.4 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -71.7 | 93 | -173.5 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | S1704 | S1704-S1706 PolarHBondContact O-N 3.49Š| ||
| 1707 | T | 30.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | trans | -135.9 | 99.3 | 159.4 | -48.8 | 0 | 0 | 0 | 0 | 107.6 | S1705 | S1705-T1707 PolarHBondContact O-N 2.94Š| ||
| 1708 | L | 27.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | trans | -93.9 | 127 | -170.1 | -152.1 | 87.7 | 0 | 0 | 0 | 111.1 | ||||
| 1709 | T | 30.2 | Very low | 33.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | trans | -176 | 104.3 | 149.4 | 11.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1710 | T | 28.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | 51.9 | 115.6 | 68.3 | -27.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1711 | T | 27.7 | Very low | 30.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | cis | -154.7 | 157.8 | 33.5 | -22.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 1712 | T | 30.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | cis | -159 | 150.2 | 48.5 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1713 | T | 28 | Very low | 28.5 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -4.7 | 147.4 | 146.8 | 54.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1714 | T | 29.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | cis | -141 | 169.9 | 49.6 | 39.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1715 | T | 29.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -123.6 | 154.7 | -171.6 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1716 | M | 26.9 | Very low | 28.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 162.7 | 163.2 | -58.3 | -79.9 | -175.8 | 0 | 0 | 114.6 | ||||
| 1717 | N | 27.2 | Very low | 28.1 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | -151.3 | -171.8 | 1.9 | -139.5 | -26.1 | 0 | 0 | 0 | 112.4 | ||||
| 1718 | N | 28.4 | Very low | 27.8 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -52.7 | 144.3 | 177.7 | -68.3 | -35.3 | 0 | 0 | 0 | 117 | ||||
| 1719 | S | 28.9 | Very low | 27.7 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | 29.1 | 112 | 146.8 | 62.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1720 | E | 28.1 | Very low | 27.6 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | 65 | 115.1 | 136.6 | -56.3 | -160.8 | 143.7 | 0 | 0 | 123 | ||||
| 1721 | A | 28.5 | Very low | 27.4 | Very low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | trans | 59.7 | 102.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1722 | N | 28.8 | Very low | 27.4 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | -177.7 | 170.7 | 90.4 | -94.5 | -59.6 | 0 | 0 | 0 | 115.4 | |||||
| 1723 | S | 28.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -43.3 | 160.8 | 173.1 | 52.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1724 | S | 25.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | 179.6 | -179.5 | -13.3 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1725 | I | 28.1 | Very low | 27.7 | Very low | 145 Ų | 145 | 133 Ų | 133 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | 90.1 | 93.6 | 159.5 | -60.4 | 164.4 | 0 | 0 | 0 | 119.9 | ||||
| 1726 | T | 25.7 | Very low | 27.6 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 33 | 141.8 | 133.6 | 68.7 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1727 | N | 25.6 | Very low | 27.9 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 101.3 | 95.2 | 138.1 | -73.2 | -4 | 0 | 0 | 0 | 123 | ||||
| 1728 | S | 23.6 | Very low | 28.1 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | 74.2 | 130.2 | 120.2 | 67.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1729 | T | 25.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | 69.6 | 155.7 | 155.2 | 58.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1730 | Q | 26.6 | Very low | 28.5 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | cis | -158.2 | 127.5 | 14.4 | -153.4 | 169.1 | -2.2 | 0 | 0 | 114.3 | ||||
| 1731 | F | 25.4 | Very low | 28.8 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 56.4 | 167.1 | 148.3 | -70.8 | -127.6 | 0 | 0 | 0 | 117.6 | ||||
| 1732 | N | 27.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | cis | -153.7 | -175.2 | 10.6 | -145.1 | 6.9 | 0 | 0 | 0 | 107.4 | ||||
| 1733 | I | 31.6 | Very low | 29.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | cis | -141.3 | 148.4 | 10.1 | -49 | 169.5 | 0 | 0 | 0 | 110.6 | ||||
| 1734 | N | 31.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | -30.6 | 146.2 | 166.6 | -35 | -30.7 | 0 | 0 | 0 | 121 | ||||
| 1735 | N | 32.4 | Very low | 29.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | -158 | 162.8 | 100.3 | -113.8 | -2.2 | 0 | 0 | 0 | 111 | |||||
| 1736 | P | 27 | Very low | 30 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | trans | -119.9 | 115 | -141.1 | 36.6 | -23 | 0 | 0 | 0 | 115.6 | ||||
| 1737 | L | 31.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -117 | -18.9 | 162.8 | -108.9 | 77.9 | 0 | 0 | 0 | 113.9 | N1739 L1740 | L1737-N1739 PolarHBondContact O-N 3.46Å; L1737-L1740 PolarHBondContact O-N 3.09Å | ||
| 1738 | D | 32.2 | Very low | 31.1 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 9.8 | -168.6 | -59.5 | -50.5 | 0 | 0 | 0 | 116.4 | ||
| 1739 | N | 32.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -6.1 | 172.7 | -85.7 | -49.6 | 0 | 0 | 0 | 114 | L1737 F1741 S1742 | L1737-N1739 PolarHBondContact O-N 3.46Å; N1739-F1741 PolarHBondContact O-N 3.01Å; N1739-S1742 PolarHBondContact O-N 2.9Å |
| 1740 | L | 33.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 59% | 0.586 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -13.3 | -173.4 | -142.8 | 79.4 | 0 | 0 | 0 | 114.8 | L1737 L1746 | L1737-L1740 PolarHBondContact O-N 3.09Å; L1740-L1746 HydrophobicContact CD1-CD1 3.66Å; L1740-L1746 HydrophobicContact CG-CD1 4.41Å |
| 1741 | F | 34.5 | Very low | 32.8 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 14.8 | 178.9 | -64.9 | -73.8 | 0 | 0 | 0 | 113.8 | N1739 | N1739-F1741 PolarHBondContact O-N 3.01Š|
| 1742 | S | 34.8 | Very low | 33.5 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -77 | 142.7 | 163.6 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | N1739 Q1744 | N1739-S1742 PolarHBondContact O-N 2.9Å; S1742-Q1744 VanDerWaalsContact C-N 3.31Å; S1742-Q1744 PolarHBondContact O-N 2.63Å |
| 1743 | K | 30.1 | Very low | 34 | Very low | 210 Ų | 210 | 137.1 Ų | 137.1 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -79.1 | 69 | -173.7 | -70 | -171.8 | 175.9 | -175.9 | 0 | 113.2 | ||
| 1744 | Q | 35.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -141.7 | 153.2 | 167.9 | -98.4 | 178 | -19.1 | 0 | 0 | 111.8 | S1742 | S1742-Q1744 VanDerWaalsContact C-N 3.31Å; S1742-Q1744 PolarHBondContact O-N 2.63Å |
| 1745 | F | 28.9 | Very low | 34.4 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128.1 | -177 | -77.4 | -98.4 | 0 | 0 | 0 | 112.3 | ||
| 1746 | L | 33.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 60% | 0.602 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 162.5 | 165.3 | -74 | 167.4 | 0 | 0 | 0 | 111.1 | L1740 | L1740-L1746 HydrophobicContact CD1-CD1 3.66Å; L1740-L1746 HydrophobicContact CG-CD1 4.41Å |
| 1747 | K | 40.7 | Very low | 35 | Very low | 161 Ų | 161 | 138 Ų | 138 | 70% | 0.7 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 162.1 | -170.2 | -70.9 | -177 | 179.4 | 178.5 | 0 | 112.7 | D1749 D1750 | K1747-D1749 PolarHBondContact O-N 2.99Å; K1747-D1750 PolarHBondContact O-N 2.95Å |
| 1748 | L | 34.2 | Very low | 34.8 | Very low | 123 Ų | 123 | 142 Ų | 142 | 64% | 0.644 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -58.8 | -30.7 | -173.3 | -174.4 | 59.8 | 0 | 0 | 0 | 113.7 | D1750 L1751 | L1748-D1750 PolarHBondContact O-N 3.3Å; L1748-L1751 HydrophobicContact CD1-CD2 4.23Å; L1748-L1751 WeakPolarHBondContact O-CB 3.2Å; L1748-L1751 PolarHBondContact O-N 3.28Å |
| 1749 | D | 37.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.4 | -33.2 | -177.8 | -51.6 | -64.1 | 0 | 0 | 0 | 112.7 | K1747 L1751 I1752 | K1747-D1749 PolarHBondContact O-N 2.99Å; D1749-L1751 VanDerWaalsContact C-N 3.25Å; D1749-L1751 PolarHBondContact O-N 3.36Å; D1749-I1752 PolarHBondContact O-N 3.43Å |
| 1750 | D | 39.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 53% | 0.529 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -68.4 | -26.5 | 176.2 | -61.8 | -53.5 | 0 | 0 | 0 | 112 | K1747 L1748 | K1747-D1750 PolarHBondContact O-N 2.95Å; L1748-D1750 PolarHBondContact O-N 3.3Å |
| 1751 | L | 34.3 | Very low | 34.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -72.5 | -30.2 | 178.3 | -163.8 | 74.2 | 0 | 0 | 0 | 112.3 | L1748 D1749 | L1748-L1751 HydrophobicContact CD1-CD2 4.23Å; L1748-L1751 WeakPolarHBondContact O-CB 3.2Å; L1748-L1751 PolarHBondContact O-N 3.28Å; D1749-L1751 VanDerWaalsContact C-N 3.25Å; D1749-L1751 PolarHBondContact O-N 3.36Å |
| 1752 | I | 39.6 | Very low | 34 | Very low | 97 Ų | 97 | 137 Ų | 137 | 50% | 0.497 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -79 | -35.2 | -173.5 | -65.9 | 169.1 | 0 | 0 | 0 | 111.2 | D1749 V1754 V1755 | D1749-I1752 PolarHBondContact O-N 3.43Å; I1752-V1754 PolarHBondContact O-N 3.41Å; I1752-V1755 PolarHBondContact O-N 3.26Å; I1752-V1755 VanDerWaalsContact O-N 3.16Å |
| 1753 | S | 39.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -58 | -29.7 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1754 | V | 36.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -82.9 | -27.4 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | I1752 | I1752-V1754 PolarHBondContact O-N 3.41Å |
| 1755 | V | 34.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 61% | 0.606 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -73.6 | -34.6 | -176.2 | 177 | 0 | 0 | 0 | 0 | 111.9 | I1752 K1757 W1758 | I1752-V1755 PolarHBondContact O-N 3.26Å; I1752-V1755 VanDerWaalsContact O-N 3.16Å; V1755-K1757 PolarHBondContact O-N 3.14Å; V1755-W1758 PolarHBondContact O-N 3.44Å; V1755-W1758 VanDerWaalsContact O-N 3.1Å |
| 1756 | D | 34.2 | Very low | 33.4 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -2.7 | -175.7 | -107.2 | 3.7 | 0 | 0 | 0 | 115.1 | ||
| 1757 | K | 37.6 | Very low | 33.1 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -0 | 171.8 | -75.1 | -174.5 | 176.7 | 177.1 | 0 | 114.6 | V1755 | V1755-K1757 PolarHBondContact O-N 3.14Š|
| 1758 | W | 28.1 | Very low | 32.5 | Very low | 231 Ų | 231 | 128 Ų | 128 | 88% | 0.875 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -102.8 | 49.7 | 177.6 | -86.8 | 50.7 | 0 | 0 | 0 | 112.5 | V1755 | V1755-W1758 PolarHBondContact O-N 3.44Å; V1755-W1758 VanDerWaalsContact O-N 3.1Å |
| 1759 | S | 27.6 | Very low | 32 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | -149.3 | 148.4 | 169.4 | -163.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1760 | T | 28.4 | Very low | 31.5 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | 62.2 | 102.6 | 177.4 | 65.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1761 | S | 28.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -153.1 | 130.6 | 134.1 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1762 | N | 29.4 | Very low | 30.5 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -158.8 | 128.5 | 177.1 | -156 | -18.9 | 0 | 0 | 0 | 111.1 | ||||
| 1763 | K | 31.3 | Very low | 29.7 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 68.1 | 134.5 | 176.3 | -61.9 | -174.3 | 177.3 | 179 | 0 | 119.9 | ||||
| 1764 | S | 29.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 61.1 | 136.3 | 153.3 | 49.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1765 | G | 29 | Very low | 28.8 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | cis | 144.1 | 143.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1766 | L | 26.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | 67 | 151 | 177.2 | -74.4 | 72.8 | 0 | 0 | 0 | 114 | ||||
| 1767 | T | 28.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -153.7 | 165 | 7.8 | -7.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1768 | T | 27.8 | Very low | 27.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -8.8 | 129.8 | 148.9 | 51 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1769 | S | 24.7 | Very low | 27.8 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | 83.9 | 146.7 | 58.3 | 82.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1770 | Y | 26.6 | Very low | 27.9 | Very low | 227 Ų | 227 | 129.1 Ų | 129.1 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | 69.4 | 147.5 | -171.6 | -47.3 | -77.9 | 0 | 0 | 0 | 115.1 | ||||
| 1771 | G | 26.8 | Very low | 27.9 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | cis | 157.9 | -177.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1772 | V | 25.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 77.8 | 103.2 | 151 | -178.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1773 | E | 23.6 | Very low | 27.9 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | 62.1 | 170.1 | 130.2 | -56.9 | 178.2 | 151.4 | 0 | 0 | 122.7 | ||||
| 1774 | N | 27.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 70.2 | 142.3 | 165.5 | -73.6 | 32.1 | 0 | 0 | 0 | 117.7 | ||||
| 1775 | D | 29.7 | Very low | 27.9 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | cis | -147 | 178.6 | -6.4 | -84.6 | -40.5 | 0 | 0 | 0 | 106.6 | ||||
| 1776 | D | 32.2 | Very low | 27.9 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | cis | -150.3 | 171 | 4.8 | -152.1 | -29 | 0 | 0 | 0 | 109.9 | ||||
| 1777 | S | 25 | Very low | 28.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 57% | 0.573 | 72% | 0.721 | S | S | * | * | trans | -82.4 | 139.3 | 167.6 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1778 | N | 29.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | 178.5 | 142.5 | 113.9 | -99 | -70.9 | 0 | 0 | 0 | 115.6 | |||||
| 1779 | Q | 26.1 | Very low | 28.9 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | 9.3 | 120.3 | 145.5 | -54.7 | 171.4 | 34.4 | 0 | 0 | 119.7 | ||||
| 1780 | A | 29.4 | Very low | 29.3 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | -173.4 | 109.1 | 121.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1781 | T | 29.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | 56.5 | 96.9 | 118.5 | -46.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1782 | L | 28.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | 74.4 | 127.1 | 133.9 | -65.3 | 176.2 | 0 | 0 | 0 | 123.2 | ||||
| 1783 | K | 30.4 | Very low | 30 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.726 | 74% | 0.739 | S | S | * | * | trans | 87.6 | 120.1 | 131.3 | -77.5 | 173.7 | 177.5 | -176.8 | 0 | 121.7 | ||||
| 1784 | N | 29.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | 70.2 | 148.2 | 137 | -63.5 | 31 | 0 | 0 | 0 | 117.4 | ||||
| 1785 | E | 29.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -150.4 | 131.1 | 15.2 | -149.9 | 144.3 | -102.7 | 0 | 0 | 114 | ||||
| 1786 | M | 29.8 | Very low | 30.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | 62 | 160.6 | 158 | -73.2 | -174.3 | 64.3 | 0 | 0 | 120.9 | ||||
| 1787 | P | 42.3 | Very low | 29.8 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | trans | -127.3 | 171.2 | -156.1 | 42 | -27.3 | 0 | 0 | 0 | 116.1 | ||||
| 1788 | V | 31.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | 172.4 | 131.4 | 129.3 | 148 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1789 | N | 29.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | trans | 48.2 | 124 | 156.2 | -69.9 | 54.7 | 0 | 0 | 0 | 124.5 | ||||
| 1790 | D | 32.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 145 Ų | 145 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | 76.1 | 116 | 124.8 | -49.8 | -12.4 | 0 | 0 | 0 | 123.2 | |||||
| 1791 | E | 28.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | 21 | 135.1 | 140.7 | -40.3 | -167.4 | 141.6 | 0 | 0 | 120 | ||||
| 1792 | Q | 28 | Very low | 30.5 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | -162.8 | 159.5 | 50.9 | -73.7 | 179.3 | -4 | 0 | 0 | 110.8 | |||||
| 1793 | Q | 37.3 | Very low | 30.5 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | trans | -138.4 | 162.8 | 171.8 | -77.8 | -165.6 | -5.1 | 0 | 0 | 113.9 | ||||
| 1794 | Q | 28.5 | Very low | 30.6 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -135.4 | 163.4 | -166.3 | -53.8 | 175.5 | -13.6 | 0 | 0 | 111.6 | ||||
| 1795 | Q | 27.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | 63.5 | 178.8 | 144.9 | -75.6 | 162.6 | 34.4 | 0 | 0 | 118.6 | ||||
| 1796 | Q | 25.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | -155.6 | 140 | -59.5 | -109.7 | 178.1 | 2.1 | 0 | 0 | 110.9 | |||||
| 1797 | Q | 26.3 | Very low | 31 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | trans | 48.6 | 111.5 | 143.9 | -60.7 | 176.8 | 4.2 | 0 | 0 | 124.5 | ||||
| 1798 | Q | 27.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 63.8 | 175 | 130.1 | -61 | -160.1 | 10.6 | 0 | 0 | 121.3 | ||||
| 1799 | P | 36.2 | Very low | 30.2 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | -135.9 | 165.6 | -6.1 | 33.8 | -13.1 | 0 | 0 | 0 | 119.4 | ||||
| 1800 | I | 29.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | trans | 75.4 | 157.1 | 145.3 | -81.1 | 169 | 0 | 0 | 0 | 118.3 | ||||
| 1801 | D | 30.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 60% | 0.604 | 75% | 0.753 | S | S | * | * | cis | -155.2 | 167.9 | 24.1 | -147 | 1.9 | 0 | 0 | 0 | 119.3 | ||||
| 1802 | K | 30.6 | Very low | 29.6 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 30.7 | 110.2 | 149.3 | -83 | 167.6 | -153.3 | 81.3 | 0 | 128.9 | ||||
| 1803 | S | 28.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | 64.9 | 125.9 | 115.2 | 70.4 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 1804 | N | 31.7 | Very low | 29 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | 168.8 | 134.6 | 102 | -100.1 | -22.1 | 0 | 0 | 0 | 119.6 | |||||
| 1805 | V | 33 | Very low | 29 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 77.7 | 141.4 | 137.8 | 176.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1806 | N | 26.3 | Very low | 29.2 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -94.1 | -166.6 | 177.8 | -83.9 | -38.9 | 0 | 0 | 0 | 112.5 | ||||
| 1807 | P | 38.5 | Very low | 29.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -143.7 | -178 | 5.4 | 46.1 | -26.5 | 0 | 0 | 0 | 118.6 | ||||
| 1808 | S | 28.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 39.6 | 159.6 | 145.4 | -64.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1809 | T | 27.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | cis | 171.8 | 156 | -25.2 | -55.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1810 | I | 24.8 | Very low | 29.2 | Very low | 148 Ų | 148 | 132 Ų | 132 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 79.2 | 116.7 | 165.2 | -41.3 | -179.7 | 0 | 0 | 0 | 118.8 | ||||
| 1811 | I | 31.4 | Very low | 29 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | -174.8 | 159.9 | 124.9 | -95.2 | 163.1 | 0 | 0 | 0 | 109 | |||||
| 1812 | S | 23.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -133.6 | -172.9 | -171 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1813 | L | 27.8 | Very low | 28.6 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | 88.9 | 118.9 | 175.2 | -51.5 | 166.7 | 0 | 0 | 0 | 113.1 | ||||
| 1814 | S | 25.9 | Very low | 28.4 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | 81.4 | 148.1 | 50.4 | 89.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1815 | D | 28.4 | Very low | 28.1 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -139.3 | 168.8 | 11.9 | -90.7 | -72.1 | 0 | 0 | 0 | 109.3 | ||||
| 1816 | H | 31.7 | Very low | 27.7 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | -160.6 | 152.2 | 56.2 | -104.5 | -37.9 | 0 | 0 | 0 | 114.9 | |||||
| 1817 | Q | 24.5 | Very low | 27.7 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | trans | -80.7 | 165.6 | 166.4 | -128.5 | 174.4 | 14.5 | 0 | 0 | 111.3 | ||||
| 1818 | P | 32.7 | Very low | 27 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | -144.6 | 126.4 | 78.5 | 26.4 | -4.1 | 0 | 0 | 0 | 114.4 | |||||
| 1819 | N | 29.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | 119.6 | 151.3 | 94.8 | -84.5 | 0.4 | 0 | 0 | 0 | 108.8 | |||||
| 1820 | L | 28.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 67% | 0.665 | 74% | 0.737 | S | S | * | * | cis | -156 | 154.4 | -15.8 | -108.3 | 168 | 0 | 0 | 0 | 108.4 | ||||
| 1821 | L | 26.3 | Very low | 26.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 15.3 | 155.8 | 141.5 | -95.6 | 64.5 | 0 | 0 | 0 | 121.5 | ||||
| 1822 | S | 27 | Very low | 26.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | -169.7 | 153.3 | 13.2 | 35.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1823 | Q | 25 | Very low | 26.8 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | 37.8 | 134.5 | 134.3 | -56.6 | 168.3 | -24.9 | 0 | 0 | 120.9 | ||||
| 1824 | S | 24.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -136.3 | 132.8 | 133.7 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1825 | S | 25.1 | Very low | 26.8 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | trans | -143.2 | 108.3 | 179.5 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1826 | E | 23.4 | Very low | 26.7 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | 64.5 | 152.4 | 139.1 | -118.4 | -178.6 | -162.5 | 0 | 0 | 123 | ||||
| 1827 | I | 26.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | trans | 93.1 | 104.3 | 150.9 | -68 | 159.8 | 0 | 0 | 0 | 120.5 | ||||
| 1828 | N | 23.4 | Very low | 26.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 67.6 | 145.5 | 144.2 | -74.2 | -23.1 | 0 | 0 | 0 | 120.7 | ||||
| 1829 | K | 27.3 | Very low | 26.8 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | cis | -147.4 | 142.2 | 5.4 | -104.1 | 148.9 | 178.7 | -178.8 | 0 | 108 | ||||
| 1830 | Q | 23.9 | Very low | 26.8 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | 93.5 | 128.7 | 59.8 | -150 | -169.4 | 1.4 | 0 | 0 | 114.2 | |||||
| 1831 | T | 27.2 | Very low | 27.2 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | trans | 67.2 | 145.4 | 169.8 | 61.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1832 | D | 27.1 | Very low | 27.5 | Very low | 100 Ų | 100 | 136 Ų | 136 | 54% | 0.535 | 72% | 0.719 | S | S | . | * | cis | -168 | 156.5 | -15.2 | -104.9 | -0.3 | 0 | 0 | 0 | 113.7 | Y1003 | Y1003-D1832 HydrophobicContact CE1-CB 3.86Å; Y1003-D1832 WeakPolarHBondContact OH-CB 3.42Å; Y1003-D1832 PolarHBondContact OH-OD2 2.95Å | ||
| 1833 | N | 26.9 | Very low | 27.8 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 57% | 0.572 | 71% | 0.714 | S | S | * | * | trans | 57.9 | 136.8 | 147.3 | -71.5 | 0.7 | 0 | 0 | 0 | 125.1 | Y1003 | Y1003-N1833 HydrophobicContact CD1-CB 4.21Å; Y1003-N1833 HydrophobicContact CD2-CB 4.2Å; Y1003-N1833 HydrophobicContact CE1-CB 3.85Å; Y1003-N1833 HydrophobicContact CE2-CB 3.81Å; Y1003-N1833 WeakPolarHBondContact CE2-ND2 3.41Å; Y1003-N1833 HydrophobicContact CG-CB 4.45Å | ||
| 1834 | S | 25.5 | Very low | 28.1 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | -177.1 | 139.5 | 96.9 | 69.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1835 | K | 28.5 | Very low | 28.4 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.896 | 70% | 0.7 | S | S | * | * | trans | 64 | 151.1 | 147.3 | -68.9 | 179.3 | 178.9 | 177.9 | 0 | 123.8 | ||||
| 1836 | L | 26.3 | Very low | 28.8 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | trans | -62.4 | 174.3 | 174.7 | -96.4 | 73.5 | 0 | 0 | 0 | 115.2 | ||||
| 1837 | P | 35.5 | Very low | 29.2 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | cis | -133.8 | -161 | 6.1 | 41.9 | -22.9 | 0 | 0 | 0 | 115.3 | ||||
| 1838 | E | 24.9 | Very low | 29.2 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | 63 | 116 | 155.3 | -71.9 | 171 | -169.4 | 0 | 0 | 121.1 | ||||
| 1839 | H | 29.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | -173.5 | 159.3 | 111.8 | 71.4 | -58.5 | 0 | 0 | 0 | 111.9 | |||||
| 1840 | L | 29.2 | Very low | 29.5 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -71.3 | 136.9 | 163.3 | -77.4 | 160.8 | 0 | 0 | 0 | 109.6 | N1842 | L1840-N1842 PolarHBondContact O-N 3.34Š| ||
| 1841 | I | 38.9 | Very low | 29.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -59.5 | 120.7 | -169.5 | -64.6 | 175.7 | 0 | 0 | 0 | 111.7 | L1843 | I1841-L1843 PolarHBondContact O-N 3.03Š| ||
| 1842 | N | 31.6 | Very low | 30.1 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 45% | 0.449 | 72% | 0.721 | S | S | . | * | trans | -80.3 | 98.7 | -175.5 | -172.5 | -4.1 | 0 | 0 | 0 | 112 | L1840 N1844 | L1840-N1842 PolarHBondContact O-N 3.34Å; N1842-N1844 PolarHBondContact O-N 3.27Å; N1842-N1844 WeakPolarHBondContact OD1-CB 3.46Å; N1842-N1844 PolarHBondContact OD1-N 3.29Å; N1842-N1844 PolarHBondContact OD1-ND2 3.19Å | ||
| 1843 | L | 33 | Very low | 30.3 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 49% | 0.492 | 74% | 0.738 | S | S | . | * | G | 310 helix | trans | -65.8 | -3.3 | -178.3 | -80.4 | 164.6 | 0 | 0 | 0 | 115.6 | I1841 N1845 | I1841-L1843 PolarHBondContact O-N 3.03Å; L1843-N1845 VanDerWaalsContact C-N 3.28Å; L1843-N1845 PolarHBondContact O-N 2.74Å |
| 1844 | N | 31.4 | Very low | 30.5 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -77.2 | -0.4 | -174.2 | -68.3 | -73.4 | 0 | 0 | 0 | 115.7 | N1842 | N1842-N1844 PolarHBondContact O-N 3.27Å; N1842-N1844 WeakPolarHBondContact OD1-CB 3.46Å; N1842-N1844 PolarHBondContact OD1-N 3.29Å; N1842-N1844 PolarHBondContact OD1-ND2 3.19Å |
| 1845 | N | 31.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -92.2 | 8 | -174.9 | -79.8 | -10.3 | 0 | 0 | 0 | 115.4 | L1843 | L1843-N1845 VanDerWaalsContact C-N 3.28Å; L1843-N1845 PolarHBondContact O-N 2.74Å |
| 1846 | L | 33.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -100.8 | 4.8 | 178.7 | -97.6 | 161.1 | 0 | 0 | 0 | 114.9 | ||
| 1847 | T | 32 | Very low | 30.9 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -115.8 | 14.2 | -175.3 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1848 | K | 26.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 154.4 Ų | 154.4 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -142.6 | 85.9 | 178.7 | -70.9 | -175 | 179.6 | 175.1 | 0 | 113.3 | ||
| 1849 | N | 27.8 | Very low | 30.8 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 92% | 0.92 | 75% | 0.754 | S | S | * | * | trans | 176.7 | 76.8 | 137.9 | -90.7 | -15.9 | 0 | 0 | 0 | 111 | ||||
| 1850 | A | 28.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -145.3 | 95 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1851 | T | 31.7 | Very low | 31 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -156.9 | 139.2 | 170.1 | -20.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1852 | Y | 32.1 | Very low | 30.5 | Very low | 212 Ų | 212 | 157.1 Ų | 157.1 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | 67.2 | 69.8 | -179 | -56.4 | -75.5 | 0 | 0 | 0 | 116.9 | ||||
| 1853 | N | 31.2 | Very low | 30.4 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | S | Bend | -129.4 | 167 | 114.2 | -101.6 | -44.5 | 0 | 0 | 0 | 110.3 | |||
| 1854 | K | 31 | Very low | 30.2 | Very low | 202 Ų | 202 | 163.6 Ų | 163.6 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 151.6 | -152.2 | -69.7 | 179 | 179.2 | 175.8 | 0 | 115.1 | ||||
| 1855 | R | 26.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 167.5 Ų | 167.5 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -56.8 | 148 | 171.3 | -62.3 | 174.9 | 177.9 | 162.1 | -4.7 | 111.9 | ||||
| 1856 | Y | 28.4 | Very low | 30.1 | Very low | 232 Ų | 232 | 167 Ų | 167 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | -126.2 | 128.5 | 118.4 | -76.9 | -79.6 | 0 | 0 | 0 | 108.4 | |||||
| 1857 | T | 34 | Very low | 30 | Very low | 86 Ų | 86 | 165 Ų | 165 | 53% | 0.528 | 80% | 0.803 | S | S | . | * | trans | -133.7 | 151.3 | 177.3 | 39.8 | 0 | 0 | 0 | 0 | 109 | Q1859 | T1857-Q1859 PolarHBondContact O-N 3.23Š| ||
| 1858 | R | 30 | Very low | 29.8 | Very low | 247 Ų | 247 | 165.1 Ų | 165.1 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 54.1 | -166.6 | -167.2 | -178.1 | 172.8 | 169.2 | -2.2 | 114 | ||
| 1859 | Q | 28.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 162.2 Ų | 162.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.2 | 6.1 | -175.3 | -137.7 | 81.3 | 55.5 | 0 | 0 | 115 | T1857 | T1857-Q1859 PolarHBondContact O-N 3.23Š|
| 1860 | D | 29.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 159.4 Ų | 159.4 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -111.1 | 23.8 | -177.2 | -69.1 | -58.5 | 0 | 0 | 0 | 113.1 | ||
| 1861 | F | 32.5 | Very low | 30.7 | Very low | 208 Ų | 208 | 159.6 Ų | 159.6 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -150.8 | 69.8 | 178.6 | -111.5 | -74.2 | 0 | 0 | 0 | 112.4 | ||
| 1862 | E | 28.4 | Very low | 30.7 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -172 | 111.1 | 152.7 | -114.9 | 168.4 | -150.9 | 0 | 0 | 109.8 | ||||
| 1863 | D | 29.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -161 | 160.5 | 164.9 | -138.9 | -28.7 | 0 | 0 | 0 | 111.4 | ||||
| 1864 | L | 29.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 70.6 | 55 | 171.9 | -71.1 | 163.6 | 0 | 0 | 0 | 120.1 | ||||
| 1865 | F | 30.6 | Very low | 30.6 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | S | Bend | -155.4 | 125.5 | 127.1 | -93.4 | -77.8 | 0 | 0 | 0 | 107.2 | |||
| 1866 | N | 30.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | cis | -156.2 | 144.4 | 2.7 | -150.9 | 4.5 | 0 | 0 | 0 | 112 | ||||
| 1867 | S | 32 | Very low | 30.8 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 41.7 | 114.6 | 157.8 | 60.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1868 | S | 25.8 | Very low | 30.8 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -75.3 | -170.6 | 153.9 | -33.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1869 | P | 38 | Very low | 31 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -142.8 | -163.3 | 7 | 44.6 | -24.2 | 0 | 0 | 0 | 117 | ||||
| 1870 | S | 31.5 | Very low | 31.2 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 93.9 | 134.6 | 169.7 | 76 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1871 | S | 32.7 | Very low | 31.3 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | -164.7 | 152.7 | -10.6 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1872 | S | 31.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 62.7 | 145.8 | 166.9 | 38.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1873 | S | 31.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | cis | -154.5 | 159.6 | -2.4 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1874 | T | 29 | Very low | 31.9 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -71.6 | -178.5 | 170.3 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1875 | T | 32 | Very low | 32 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | cis | -164.9 | 178.1 | 33.6 | -28.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1876 | T | 28.7 | Very low | 32 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -94 | 154.8 | 179.6 | 50 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1877 | T | 31.4 | Very low | 32.1 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 45% | 0.454 | 73% | 0.733 | S | S | . | * | trans | 19.9 | 140.5 | 150.5 | 58.5 | 0 | 0 | 0 | 0 | 122.2 | L1895 | T1877-L1895 HydrophobicContact CG2-CB 3.87Å; T1877-L1895 HydrophobicContact CG2-CD1 3.94Å; T1877-L1895 HydrophobicContact CG2-CD2 4.13Å; T1877-L1895 HydrophobicContact CG2-CG 4.19Å | ||
| 1878 | T | 33.5 | Very low | 32 | Very low | 106 Ų | 106 | 128 Ų | 128 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | -121.3 | 166 | -159.2 | 48.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1879 | T | 32.7 | Very low | 32.2 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -178.4 | 147.8 | 172.1 | 9.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1880 | T | 33.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | cis | -159.7 | 171.2 | -8.7 | -15.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1881 | E | 32.7 | Very low | 31.9 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 78.8 | 121.3 | 147.5 | -87.7 | -176.5 | -171.8 | 0 | 0 | 124.5 | ||||
| 1882 | L | 33.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 97.1 | 101 | 139.7 | -63.3 | 163.3 | 0 | 0 | 0 | 123.7 | ||||
| 1883 | H | 35.1 | Very low | 32 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 71 | 116.2 | 140.1 | -71.8 | -55.5 | 0 | 0 | 0 | 125.5 | ||||
| 1884 | H | 33.3 | Very low | 32.1 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | 53.1 | 144.7 | 132 | -62.9 | -44.6 | 0 | 0 | 0 | 122.2 | ||||
| 1885 | H | 31.9 | Very low | 32 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | cis | -151.1 | 176.7 | 2.7 | -135.2 | -78.7 | 0 | 0 | 0 | 110.1 | ||||
| 1886 | E | 30.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | 74 | 98 | -174.6 | -59.4 | -171.2 | 164.1 | 0 | 0 | 113.3 | ||||
| 1887 | S | 32.7 | Very low | 32 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | S | Bend | 91.2 | 107.7 | 61.7 | 66.7 | 0 | 0 | 0 | 0 | 113 | |||
| 1888 | E | 29.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | cis | -135.9 | 113.9 | -2.9 | -66.6 | -171.3 | 117.6 | 0 | 0 | 112 | ||||
| 1889 | L | 30.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | 47.2 | 92.3 | 151.2 | -61.9 | 170.6 | 0 | 0 | 0 | 119.7 | ||||
| 1890 | N | 29.4 | Very low | 31.9 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -156.8 | 113.6 | 162.4 | -162 | 0.8 | 0 | 0 | 0 | 112.5 | ||||
| 1891 | S | 33.3 | Very low | 31.5 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -170.2 | 162.3 | 168.9 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1892 | N | 33.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -112.5 | 169.9 | -163 | -64.6 | -36 | 0 | 0 | 0 | 116.1 | ||||
| 1893 | D | 32.9 | Very low | 30.7 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | 84.8 | 160.7 | 148.9 | -123.1 | 33 | 0 | 0 | 0 | 118.7 | ||||
| 1894 | P | 35.3 | Very low | 30.5 | Very low | 53 Ų | 53 | 145.5 Ų | 145.5 | 34% | 0.344 | 76% | 0.761 | S | S | . | * | -132.6 | -175.6 | -96.7 | 41.3 | -23.7 | 0 | 0 | 0 | 115.1 | |||||
| 1895 | L | 26.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 62 | 85.5 | -173.2 | -82.9 | 79.1 | 0 | 0 | 0 | 114.6 | T1877 | T1877-L1895 HydrophobicContact CG2-CB 3.87Å; T1877-L1895 HydrophobicContact CG2-CD1 3.94Å; T1877-L1895 HydrophobicContact CG2-CD2 4.13Å; T1877-L1895 HydrophobicContact CG2-CG 4.19Å | ||
| 1896 | N | 28.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 127.9 | 148.6 | -156.2 | -19.7 | 0 | 0 | 0 | 109.8 | ||||
| 1897 | K | 31.6 | Very low | 29.9 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 70.2 | 127.9 | 177.7 | -51.3 | -177.6 | -176.4 | 174.6 | 0 | 117.3 | ||||
| 1898 | L | 30.1 | Very low | 29.8 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -76.9 | 161.1 | 157.2 | -63.8 | 88.2 | 0 | 0 | 0 | 110 | ||||
| 1899 | D | 29.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -0.4 | 162.4 | 142.7 | -95 | -42.3 | 0 | 0 | 0 | 121.4 | ||||
| 1900 | P | 35.3 | Very low | 29.8 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -141.1 | 174.7 | -2.5 | 33.2 | -11.1 | 0 | 0 | 0 | 117.6 | ||||
| 1901 | L | 25.5 | Very low | 30.2 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 63.1 | 123.7 | 148.8 | -69.7 | 159.6 | 0 | 0 | 0 | 122.6 | ||||
| 1902 | W | 26.2 | Very low | 30.4 | Very low | 207 Ų | 207 | 142 Ų | 142 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | 61.6 | 111.2 | 140.9 | -74.3 | 38.7 | 0 | 0 | 0 | 121.3 | ||||
| 1903 | N | 24.5 | Very low | 30.5 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | -170.2 | 172.3 | 116.4 | -126.3 | -50.5 | 0 | 0 | 0 | 115.6 | |||||
| 1904 | S | 29.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 62.7 | 131.7 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1905 | K | 27.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 64% | 0.635 | 79% | 0.786 | S | S | * | * | cis | 82.2 | 116 | 36.1 | -70.5 | -162.9 | 176.6 | -178.9 | 0 | 115.4 | D614 | D614-K1905 IonicContact OD2-NZ 2.61Å; D614-K1905 PolarHBondContact OD2-NZ 2.86Å | ||
| 1906 | F | 25.7 | Very low | 30.3 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | trans | 46.2 | 124.7 | 144.8 | -71.1 | -97.5 | 0 | 0 | 0 | 120.5 | ||||
| 1907 | I | 31.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | -163.8 | 151 | 96 | -98.1 | 163.6 | 0 | 0 | 0 | 109.8 | |||||
| 1908 | E | 29.6 | Very low | 30.4 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 161.1 | 176.4 | -52.4 | 132.1 | 123.3 | 0 | 0 | 110.6 | ||||
| 1909 | H | 29.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -168 | 168.8 | 40 | -99.9 | -49.9 | 0 | 0 | 0 | 106.2 | ||||
| 1910 | S | 31.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | cis | -170.2 | -177.7 | 2.1 | 42.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1911 | V | 37.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 150 Ų | 150 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | 84 | 103.2 | 163.4 | -168.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1912 | N | 38 | Very low | 30.5 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 52.6 | 92.7 | 144.4 | -52.4 | 1.5 | 0 | 0 | 0 | 120.8 | ||||
| 1913 | S | 35.2 | Very low | 30.9 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 100% | 1.392 | 79% | 0.794 | S | S | * | * | -162 | 0 | 116.3 | 65.5 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 1,913 of 1,913 residues in 363.1 ms
(Link to these results)