| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 76.2 | Confident | 83.2 | Confident | 181 Ų | 181 | 58.5 Ų | 58.5 | 89% | 0.892 | 33% | 0.331 | S | S | * | . | 0 | -85.3 | 0 | -171.2 | 175.3 | 167.4 | 0 | 0 | 110.8 | L3 S4 T5 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-S4 WeakPolarHBondContact O-CA 3.44Å; M1-S4 VanDerWaalsContact O-CB 3.25Å; M1-S4 WeakPolarHBondContact O-CB 3.05Å; M1-S4 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-N 3.37Å | |||
| 2 | V | 77.1 | Confident | 83.6 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -47.8 | -45.7 | -172 | 179.9 | 0 | 0 | 0 | 0 | 114.7 | S4 T5 I6 E45 | V2-S4 PolarHBondContact O-N 3.36Å; V2-T5 WeakPolarHBondContact CA-OG1 3.38Å; V2-T5 PolarHBondContact O-N 3.24Å; V2-T5 VanDerWaalsContact O-N 3.09Å; V2-T5 PolarHBondContact O-OG1 3.49Å; V2-I6 HydrophobicContact CG1-CD1 3.81Å; V2-I6 HydrophobicContact CG1-CG1 4.38Å; V2-I6 WeakPolarHBondContact O-CD1 3.46Å; V2-I6 WeakPolarHBondContact O-CG1 3.46Å; V2-I6 PolarHBondContact O-N 3.45Å; V2-E45 WeakPolarHBondContact CG1-OE1 3.48Å; V2-E45 WeakPolarHBondContact CG1-OE2 3.41Å |
| 3 | L | 78.1 | Confident | 83.8 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.8 | -37.7 | 176.2 | -167.3 | 73.6 | 0 | 0 | 0 | 112.9 | M1 L7 L103 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.35Å; L3-L7 PolarHBondContact O-N 2.8Å; L3-L103 HydrophobicContact CD1-CD2 3.65Å; L3-L103 HydrophobicContact CG-CD2 4.4Å |
| 4 | S | 84.2 | Confident | 84 | Confident | 79 Ų | 79 | 49.6 Ų | 49.6 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -75.6 | -30.3 | 178.2 | -162.6 | 0 | 0 | 0 | 0 | 113 | M1 V2 A8 | M1-S4 WeakPolarHBondContact O-CA 3.44Å; M1-S4 VanDerWaalsContact O-CB 3.25Å; M1-S4 WeakPolarHBondContact O-CB 3.05Å; M1-S4 PolarHBondContact O-N 3.18Å; V2-S4 PolarHBondContact O-N 3.36Å; S4-A8 WeakPolarHBondContact O-CB 3.28Å; S4-A8 PolarHBondContact O-N 3.47Å |
| 5 | T | 86.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.4 | -30.5 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | M1 V2 N9 F38 I41 | M1-T5 PolarHBondContact O-N 3.37Å; V2-T5 WeakPolarHBondContact CA-OG1 3.38Å; V2-T5 PolarHBondContact O-N 3.24Å; V2-T5 VanDerWaalsContact O-N 3.09Å; V2-T5 PolarHBondContact O-OG1 3.49Å; T5-N9 WeakPolarHBondContact O-CB 3.47Å; T5-N9 PolarHBondContact O-N 2.86Å; T5-F38 WeakPolarHBondContact O-CE1 3.16Å; T5-I41 HydrophobicContact CG2-CG2 4.49Å |
| 6 | I | 83.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -52.7 | 167.3 | -63.1 | 155.9 | 0 | 0 | 0 | 109.8 | V2 A8 N9 C10 F42 K102 L103 | V2-I6 HydrophobicContact CG1-CD1 3.81Å; V2-I6 HydrophobicContact CG1-CG1 4.38Å; V2-I6 WeakPolarHBondContact O-CD1 3.46Å; V2-I6 WeakPolarHBondContact O-CG1 3.46Å; V2-I6 PolarHBondContact O-N 3.45Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.48Å; I6-N9 WeakPolarHBondContact O-CB 3.44Å; I6-N9 PolarHBondContact O-N 3.39Å; I6-C10 PolarHBondContact O-N 3.08Å; I6-C10 PolarHBondContact O-SG 3.43Å; I6-F42 HydrophobicContact CG1-CE1 4.14Å; I6-F42 HydrophobicContact CG1-CZ 4.21Å; I6-K102 HydrophobicContact CD1-CB 3.46Å; I6-K102 VanDerWaalsContact CD1-CB 3.46Å; I6-K102 HydrophobicContact CD1-CD 3.9Å; I6-K102 HydrophobicContact CD1-CG 4.34Å; I6-K102 HydrophobicContact CG1-CB 4.11Å; I6-K102 HydrophobicContact CG1-CD 4.04Å; I6-K102 HydrophobicContact CG2-CB 4.42Å; I6-L103 HydrophobicContact CB-CD2 4.23Å; I6-L103 HydrophobicContact CG2-CD2 3.68Å; I6-L103 HydrophobicContact CG2-CG 3.9Å |
| 7 | L | 83.2 | Confident | 84.2 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 178.7 | -72.9 | 168.9 | 0 | 0 | 0 | 112.5 | L3 N9 C10 I11 L103 | L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.35Å; L3-L7 PolarHBondContact O-N 2.8Å; L7-N9 VanDerWaalsContact C-N 3.32Å; L7-N9 PolarHBondContact O-N 3.16Å; L7-C10 WeakPolarHBondContact O-CB 3.32Å; L7-C10 PolarHBondContact O-N 3.04Å; L7-I11 WeakPolarHBondContact O-CG1 3.42Å; L7-I11 PolarHBondContact O-N 3.03Å; L7-L103 HydrophobicContact CD2-CD1 4.09Å; L7-L103 HydrophobicContact CD2-CD2 3.9Å; L7-L103 HydrophobicContact CG-CD2 3.99Å |
| 8 | A | 88.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 51 Ų | 51 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S4 I6 I11 V12 F38 | S4-A8 WeakPolarHBondContact O-CB 3.28Å; S4-A8 PolarHBondContact O-N 3.47Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.48Å; A8-I11 PolarHBondContact O-N 3.18Å; A8-V12 WeakPolarHBondContact O-CG2 3.32Å; A8-V12 PolarHBondContact O-N 3.38Å; A8-F38 HydrophobicContact CB-CE1 4Å; A8-F38 HydrophobicContact CB-CZ 4.05Å |
| 9 | N | 85.2 | Confident | 84 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.7 | -165.4 | -88.1 | 0 | 0 | 0 | 112 | T5 I6 L7 I11 V12 L13 F38 R99 | T5-N9 WeakPolarHBondContact O-CB 3.47Å; T5-N9 PolarHBondContact O-N 2.86Å; I6-N9 WeakPolarHBondContact O-CB 3.44Å; I6-N9 PolarHBondContact O-N 3.39Å; L7-N9 VanDerWaalsContact C-N 3.32Å; L7-N9 PolarHBondContact O-N 3.16Å; N9-I11 VanDerWaalsContact C-N 3.33Å; N9-I11 PolarHBondContact O-N 3.07Å; N9-V12 PolarHBondContact O-N 3.4Å; N9-L13 WeakPolarHBondContact O-CG 3.48Å; N9-L13 PolarHBondContact O-N 3.25Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.32Å; N9-F38 HydrophobicContact CB-CD1 3.9Å; N9-F38 HydrophobicContact CB-CD2 4.5Å; N9-F38 HydrophobicContact CB-CE1 3.85Å; N9-F38 HydrophobicContact CB-CE2 4.46Å; N9-F38 HydrophobicContact CB-CG 4.23Å; N9-F38 HydrophobicContact CB-CZ 4.14Å; N9-F38 VanDerWaalsContact ND2-CB 3.25Å; N9-F38 WeakPolarHBondContact ND2-CB 3.43Å; N9-F38 WeakPolarHBondContact ND2-CD2 3.05Å; N9-F38 WeakPolarHBondContact ND2-CG 3.41Å; N9-R99 PolarHBondContact ND2-NH1 3.13Å; N9-R99 VanDerWaalsContact ND2-NH1 3.19Å; N9-R99 WeakPolarHBondContact OD1-CD 3.43Å; N9-R99 PolarHBondContact OD1-NH1 3.39Å |
| 10 | C | 85.6 | Confident | 83.9 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.081 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | I6 L7 A14 | I6-C10 PolarHBondContact O-N 3.08Å; I6-C10 PolarHBondContact O-SG 3.43Å; L7-C10 WeakPolarHBondContact O-CB 3.32Å; L7-C10 PolarHBondContact O-N 3.04Å; C10-A14 WeakPolarHBondContact O-CB 3.37Å; C10-A14 PolarHBondContact O-N 3.27Å |
| 11 | I | 87.9 | Confident | 83.8 | Confident | 105 Ų | 105 | 53 Ų | 53 | 54% | 0.538 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.7 | -67.1 | 163.3 | 0 | 0 | 0 | 110.6 | L7 A8 N9 L13 A14 M15 | L7-I11 WeakPolarHBondContact O-CG1 3.42Å; L7-I11 PolarHBondContact O-N 3.03Å; A8-I11 PolarHBondContact O-N 3.18Å; N9-I11 VanDerWaalsContact C-N 3.33Å; N9-I11 PolarHBondContact O-N 3.07Å; I11-L13 PolarHBondContact O-N 3.26Å; I11-A14 PolarHBondContact O-N 3.1Å; I11-M15 HydrophobicContact CG2-SD 4.05Å; I11-M15 WeakPolarHBondContact O-CG 3.26Å; I11-M15 PolarHBondContact O-N 3.31Å |
| 12 | V | 88.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.9 | 159.6 | 0 | 0 | 0 | 0 | 111.8 | A8 N9 A14 M15 E16 L31 T34 F38 | A8-V12 WeakPolarHBondContact O-CG2 3.32Å; A8-V12 PolarHBondContact O-N 3.38Å; N9-V12 PolarHBondContact O-N 3.4Å; V12-A14 VanDerWaalsContact C-N 3.31Å; V12-A14 PolarHBondContact O-N 3.24Å; V12-M15 PolarHBondContact O-N 3.25Å; V12-M15 VanDerWaalsContact O-N 3.17Å; V12-E16 PolarHBondContact O-N 3.18Å; V12-L31 HydrophobicContact CB-CD2 4.32Å; V12-L31 HydrophobicContact CG1-CB 4.32Å; V12-L31 HydrophobicContact CG1-CD2 4.03Å; V12-L31 HydrophobicContact CG2-CD2 4.02Å; V12-T34 WeakPolarHBondContact CG1-OG1 3.24Å; V12-F38 HydrophobicContact CB-CE2 4.3Å; V12-F38 HydrophobicContact CG1-CE2 4.39Å; V12-F38 HydrophobicContact CG2-CE2 3.99Å; V12-F38 HydrophobicContact CG2-CZ 4.22Å |
| 13 | L | 85.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 175.4 | -69.2 | 169.2 | 0 | 0 | 0 | 112.5 | N9 I11 M15 E16 L548 | N9-L13 WeakPolarHBondContact O-CG 3.48Å; N9-L13 PolarHBondContact O-N 3.25Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.32Å; I11-L13 PolarHBondContact O-N 3.26Å; L13-M15 VanDerWaalsContact C-N 3.29Å; L13-M15 PolarHBondContact O-N 3.04Å; L13-E16 PolarHBondContact O-N 3.28Å; L13-L548 HydrophobicContact CB-CD1 4.24Å; L13-L548 HydrophobicContact CB-CD2 4.12Å |
| 14 | A | 87.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.2 | -14 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | C10 I11 V12 L548 F572 | C10-A14 WeakPolarHBondContact O-CB 3.37Å; C10-A14 PolarHBondContact O-N 3.27Å; I11-A14 PolarHBondContact O-N 3.1Å; V12-A14 VanDerWaalsContact C-N 3.31Å; V12-A14 PolarHBondContact O-N 3.24Å; A14-L548 HydrophobicContact CB-CD2 4.31Å; A14-F572 HydrophobicContact CB-CB 4.31Å; A14-F572 HydrophobicContact CB-CD1 4.09Å; A14-F572 HydrophobicContact CB-CD2 3.71Å; A14-F572 HydrophobicContact CB-CE1 4.35Å; A14-F572 HydrophobicContact CB-CE2 3.99Å; A14-F572 HydrophobicContact CB-CG 3.76Å; A14-F572 HydrophobicContact CB-CZ 4.31Å; A14-F572 VanDerWaalsContact O-CB 3.28Å; A14-F572 WeakPolarHBondContact O-CB 3.37Å |
| 15 | M | 87.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 54 Ų | 54 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6 | 173.5 | -68.3 | 178.1 | 66.4 | 0 | 0 | 113 | I11 V12 L13 M17 L27 L31 | I11-M15 HydrophobicContact CG2-SD 4.05Å; I11-M15 WeakPolarHBondContact O-CG 3.26Å; I11-M15 PolarHBondContact O-N 3.31Å; V12-M15 PolarHBondContact O-N 3.25Å; V12-M15 VanDerWaalsContact O-N 3.17Å; L13-M15 VanDerWaalsContact C-N 3.29Å; L13-M15 PolarHBondContact O-N 3.04Å; M15-M17 PolarHBondContact O-N 3.4Å; M15-M17 VanDerWaalsContact O-N 3.1Å; M15-L27 HydrophobicContact CE-CD1 4.39Å; M15-L27 HydrophobicContact CE-CD2 4.24Å; M15-L31 HydrophobicContact CB-CD1 3.62Å; M15-L31 HydrophobicContact CB-CD2 4.42Å; M15-L31 VanDerWaalsContact O-CD1 3.31Å; M15-L31 WeakPolarHBondContact O-CD1 3.21Å |
| 16 | E | 83.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | trans | -79.1 | 88.4 | 179.3 | -167.7 | 178.6 | -148.4 | 0 | 0 | 110.7 | V12 L13 H18 M551 Q552 | V12-E16 PolarHBondContact O-N 3.18Å; L13-E16 PolarHBondContact O-N 3.28Å; E16-H18 PolarHBondContact O-ND1 3.1Å; E16-H18 IonicContact OE2-CE1 3.27Å; E16-M551 VanDerWaalsContact O-CE 3.3Å; E16-M551 WeakPolarHBondContact O-CE 3.22Å; E16-Q552 PolarHBondContact OE2-NE2 2.93Å | ||
| 17 | M | 84.3 | Confident | 84.8 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | trans | -73.7 | 130.6 | 173.8 | 179.9 | 174.7 | 152.2 | 0 | 0 | 110.7 | M15 L19 | M15-M17 PolarHBondContact O-N 3.4Å; M15-M17 VanDerWaalsContact O-N 3.1Å; M17-L19 HydrophobicContact CE-CD2 3.63Å; M17-L19 HydrophobicContact CE-CG 4.04Å | ||
| 18 | H | 81.6 | Confident | 84.8 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | trans | -100.5 | 137.9 | 178.3 | -69.1 | 52 | 0 | 0 | 0 | 109.4 | E16 Q552 G555 | E16-H18 PolarHBondContact O-ND1 3.1Å; E16-H18 IonicContact OE2-CE1 3.27Å; H18-Q552 PolarHBondContact CE1-NE2 3.13Å; H18-G555 WeakPolarHBondContact CB-O 3.29Å | ||
| 19 | L | 83.5 | Confident | 84.7 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | trans | -122.8 | 153.8 | -179.9 | -77.6 | 165.8 | 0 | 0 | 0 | 109.7 | M17 D23 T25 | M17-L19 HydrophobicContact CE-CD2 3.63Å; M17-L19 HydrophobicContact CE-CG 4.04Å; L19-D23 HydrophobicContact CB-CB 3.96Å; L19-D23 HydrophobicContact CD1-CB 4.36Å; L19-T25 HydrophobicContact CD1-CG2 3.83Å | ||
| 20 | P | 82 | Confident | 84.8 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -55.9 | 156.3 | 177.3 | 21.6 | -33.3 | 0 | 0 | 0 | 112.7 | N22 D23 G556 | P20-N22 PolarHBondContact O-N 3.4Å; P20-N22 VanDerWaalsContact O-N 3.09Å; P20-D23 PolarHBondContact O-N 3.4Å; P20-D23 VanDerWaalsContact O-N 3.12Å; P20-G556 WeakPolarHBondContact CA-O 3.42Å; P20-G556 WeakPolarHBondContact CB-O 3.4Å |
| 21 | S | 80.2 | Confident | 84.9 | Confident | 117 Ų | 117 | 66 Ų | 66 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | 59.4 | 22.8 | 168.7 | -52.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 22 | N | 75 | Confident | 84.5 | Confident | 157 Ų | 157 | 63.2 Ų | 63.2 | 84% | 0.84 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | 70 | 19.1 | -175.1 | -52.4 | -90.9 | 0 | 0 | 0 | 115.6 | P20 | P20-N22 PolarHBondContact O-N 3.4Å; P20-N22 VanDerWaalsContact O-N 3.09Å |
| 23 | D | 85.4 | Confident | 84.3 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | trans | -65.7 | 155.1 | 170 | -172.3 | 25.3 | 0 | 0 | 0 | 111.6 | L19 P20 | L19-D23 HydrophobicContact CB-CB 3.96Å; L19-D23 HydrophobicContact CD1-CB 4.36Å; P20-D23 PolarHBondContact O-N 3.4Å; P20-D23 VanDerWaalsContact O-N 3.12Å | ||
| 24 | K | 82 | Confident | 84.3 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | trans | -146 | 128.8 | -175 | -72.4 | -174.4 | 177.5 | 176.9 | 0 | 112.4 | E32 | K24-E32 IonicContact NZ-OE1 2.72Å; K24-E32 PolarHBondContact NZ-OE1 3.47Å; K24-E32 IonicContact NZ-OE2 3.77Å; K24-E32 PolarHBondContact NZ-OE2 3.19Å | ||
| 25 | T | 87.4 | Confident | 84 | Confident | 45 Ų | 45 | 69 Ų | 69 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | trans | -67 | 149.8 | 168.3 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | L19 L27 S28 E29 | L19-T25 HydrophobicContact CD1-CG2 3.83Å; T25-L27 PolarHBondContact O-N 3.44Å; T25-S28 WeakPolarHBondContact O-CB 3.33Å; T25-S28 PolarHBondContact O-N 3.34Å; T25-S28 WeakPolarHBondContact OG1-CB 3.35Å; T25-S28 PolarHBondContact OG1-N 3.28Å; T25-S28 VanDerWaalsContact OG1-N 3.15Å; T25-E29 PolarHBondContact O-N 2.77Å; T25-E29 VanDerWaalsContact O-N 3.11Å | ||
| 26 | A | 88.6 | Confident | 83.7 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -2.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K30 | A26-K30 VanDerWaalsContact O-CD 3.24Å; A26-K30 WeakPolarHBondContact O-CD 3.11Å; A26-K30 WeakPolarHBondContact O-CE 3.18Å; A26-K30 WeakPolarHBondContact O-CG 3.36Å; A26-K30 PolarHBondContact O-NZ 3.26Å |
| 27 | L | 87.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 45% | 0.45 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -48.4 | 164.5 | 176.1 | 60.7 | 0 | 0 | 0 | 110.6 | M15 T25 E29 K30 L31 | M15-L27 HydrophobicContact CE-CD1 4.39Å; M15-L27 HydrophobicContact CE-CD2 4.24Å; T25-L27 PolarHBondContact O-N 3.44Å; L27-E29 PolarHBondContact O-N 3.41Å; L27-K30 PolarHBondContact O-N 3.36Å; L27-K30 VanDerWaalsContact O-N 3.11Å; L27-L31 HydrophobicContact CD1-CD1 4.21Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.41Å; L27-L31 WeakPolarHBondContact O-CG 2.98Å; L27-L31 PolarHBondContact O-N 3.05Å |
| 28 | S | 84.4 | Confident | 84.1 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 179 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | T25 K30 L31 E32 | T25-S28 WeakPolarHBondContact O-CB 3.33Å; T25-S28 PolarHBondContact O-N 3.34Å; T25-S28 WeakPolarHBondContact OG1-CB 3.35Å; T25-S28 PolarHBondContact OG1-N 3.28Å; T25-S28 VanDerWaalsContact OG1-N 3.15Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 3.48Å; S28-L31 WeakPolarHBondContact O-CB 3.31Å; S28-L31 PolarHBondContact O-N 3.34Å; S28-L31 VanDerWaalsContact O-N 3.08Å; S28-E32 PolarHBondContact O-N 3.23Å |
| 29 | E | 85.8 | Confident | 84.2 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | 175.1 | -170.1 | -167.7 | -171.7 | 0 | 0 | 112.7 | T25 L27 Q33 | T25-E29 PolarHBondContact O-N 2.77Å; T25-E29 VanDerWaalsContact O-N 3.11Å; L27-E29 PolarHBondContact O-N 3.41Å; E29-Q33 WeakPolarHBondContact O-CG 3.47Å; E29-Q33 PolarHBondContact O-N 3.06Å |
| 30 | K | 88.1 | Confident | 84.4 | Confident | 130 Ų | 130 | 74 Ų | 74 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.2 | -34.4 | 177 | -69.4 | 172.4 | -172.2 | 151.7 | 0 | 112 | A26 L27 S28 Q33 T34 | A26-K30 VanDerWaalsContact O-CD 3.24Å; A26-K30 WeakPolarHBondContact O-CD 3.11Å; A26-K30 WeakPolarHBondContact O-CE 3.18Å; A26-K30 WeakPolarHBondContact O-CG 3.36Å; A26-K30 PolarHBondContact O-NZ 3.26Å; L27-K30 PolarHBondContact O-N 3.36Å; L27-K30 VanDerWaalsContact O-N 3.11Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 3.48Å; K30-Q33 PolarHBondContact O-N 3.02Å; K30-T34 WeakPolarHBondContact O-CG2 3.45Å; K30-T34 PolarHBondContact O-N 3.3Å |
| 31 | L | 87.5 | Confident | 84.7 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 176.1 | -68.3 | 168.4 | 0 | 0 | 0 | 111.3 | V12 M15 L27 S28 Q33 T34 E35 | V12-L31 HydrophobicContact CB-CD2 4.32Å; V12-L31 HydrophobicContact CG1-CB 4.32Å; V12-L31 HydrophobicContact CG1-CD2 4.03Å; V12-L31 HydrophobicContact CG2-CD2 4.02Å; M15-L31 HydrophobicContact CB-CD1 3.62Å; M15-L31 HydrophobicContact CB-CD2 4.42Å; M15-L31 VanDerWaalsContact O-CD1 3.31Å; M15-L31 WeakPolarHBondContact O-CD1 3.21Å; L27-L31 HydrophobicContact CD1-CD1 4.21Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.41Å; L27-L31 WeakPolarHBondContact O-CG 2.98Å; L27-L31 PolarHBondContact O-N 3.05Å; S28-L31 WeakPolarHBondContact O-CB 3.31Å; S28-L31 PolarHBondContact O-N 3.34Å; S28-L31 VanDerWaalsContact O-N 3.08Å; L31-Q33 VanDerWaalsContact C-N 3.26Å; L31-Q33 PolarHBondContact O-N 3.32Å; L31-T34 WeakPolarHBondContact O-CA 3.05Å; L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.05Å; L31-T34 PolarHBondContact O-OG1 2.96Å; L31-E35 PolarHBondContact O-N 3.22Å |
| 32 | E | 79.4 | Confident | 85 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 174.7 | -169.1 | 168.8 | -148.5 | 0 | 0 | 111.5 | K24 S28 T34 E35 R93 | K24-E32 IonicContact NZ-OE1 2.72Å; K24-E32 PolarHBondContact NZ-OE1 3.47Å; K24-E32 IonicContact NZ-OE2 3.77Å; K24-E32 PolarHBondContact NZ-OE2 3.19Å; S28-E32 PolarHBondContact O-N 3.23Å; E32-T34 PolarHBondContact O-N 3.48Å; E32-E35 WeakPolarHBondContact O-CB 3.49Å; E32-E35 PolarHBondContact O-N 3.45Å; E32-R93 IonicContact OE1-CZ 2.74Å; E32-R93 IonicContact OE1-NH1 3.38Å; E32-R93 PolarHBondContact OE1-NH1 3.44Å; E32-R93 IonicContact OE1-NH2 3.77Å; E32-R93 PolarHBondContact OE1-NH2 2.95Å |
| 33 | Q | 83.7 | Confident | 85.7 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 171.6 | -65 | 176.2 | 19.6 | 0 | 0 | 112.8 | E29 K30 L31 E35 T36 Y37 | E29-Q33 WeakPolarHBondContact O-CG 3.47Å; E29-Q33 PolarHBondContact O-N 3.06Å; K30-Q33 PolarHBondContact O-N 3.02Å; L31-Q33 VanDerWaalsContact C-N 3.26Å; L31-Q33 PolarHBondContact O-N 3.32Å; Q33-E35 PolarHBondContact O-N 3.08Å; Q33-T36 PolarHBondContact O-N 3.07Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.19Å |
| 34 | T | 85.7 | Confident | 85.9 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -27 | 179.3 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | V12 K30 L31 E32 T36 Y37 F38 | V12-T34 WeakPolarHBondContact CG1-OG1 3.24Å; K30-T34 WeakPolarHBondContact O-CG2 3.45Å; K30-T34 PolarHBondContact O-N 3.3Å; L31-T34 WeakPolarHBondContact O-CA 3.05Å; L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.05Å; L31-T34 PolarHBondContact O-OG1 2.96Å; E32-T34 PolarHBondContact O-N 3.48Å; T34-T36 VanDerWaalsContact C-N 3.25Å; T34-T36 PolarHBondContact O-N 3.39Å; T34-Y37 WeakPolarHBondContact O-CB 3.45Å; T34-Y37 PolarHBondContact O-N 3.15Å; T34-Y37 VanDerWaalsContact O-N 3.12Å; T34-F38 VanDerWaalsContact O-CD2 3.24Å; T34-F38 WeakPolarHBondContact O-CD2 3.19Å; T34-F38 PolarHBondContact O-N 2.95Å |
| 35 | E | 80.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 179.3 | -73.6 | -148.3 | 91.8 | 0 | 0 | 114 | L31 E32 Q33 Y37 F38 L39 R96 R99 | L31-E35 PolarHBondContact O-N 3.22Å; E32-E35 WeakPolarHBondContact O-CB 3.49Å; E32-E35 PolarHBondContact O-N 3.45Å; Q33-E35 PolarHBondContact O-N 3.08Å; E35-Y37 VanDerWaalsContact C-N 3.25Å; E35-Y37 PolarHBondContact O-N 3.46Å; E35-F38 PolarHBondContact O-N 2.83Å; E35-F38 VanDerWaalsContact O-N 3.13Å; E35-L39 PolarHBondContact O-N 3.22Å; E35-R96 WeakPolarHBondContact OE1-CD 3.44Å; E35-R96 IonicContact OE1-CZ 3.62Å; E35-R96 IonicContact OE1-NE 3.44Å; E35-R96 IonicContact OE1-NH1 3.15Å; E35-R96 IonicContact OE2-CZ 2.77Å; E35-R96 IonicContact OE2-NE 3.21Å; E35-R96 IonicContact OE2-NH1 3.46Å; E35-R96 PolarHBondContact OE2-NH1 3.05Å; E35-R96 IonicContact OE2-NH2 2.65Å; E35-R96 PolarHBondContact OE2-NH2 3.37Å; E35-R96 VanDerWaalsContact OE2-NH2 3.11Å; E35-R99 IonicContact OE1-CZ 3.29Å; E35-R99 IonicContact OE1-NH1 2.72Å; E35-R99 PolarHBondContact OE1-NH1 2.98Å; E35-R99 IonicContact OE1-NH2 3.57Å; E35-R99 PolarHBondContact OE1-NH2 3.41Å; E35-R99 VanDerWaalsContact OE1-NH2 3.11Å |
| 36 | T | 82.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.344 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | Q33 T34 L39 I40 | Q33-T36 PolarHBondContact O-N 3.07Å; T34-T36 VanDerWaalsContact C-N 3.25Å; T34-T36 PolarHBondContact O-N 3.39Å; T36-L39 PolarHBondContact O-N 3.01Å; T36-I40 HydrophobicContact CG2-CD1 4.12Å; T36-I40 WeakPolarHBondContact O-CD1 2.94Å; T36-I40 VanDerWaalsContact O-CG1 3.27Å; T36-I40 WeakPolarHBondContact O-CG1 3.38Å; T36-I40 PolarHBondContact O-N 3.41Å |
| 37 | Y | 87.1 | Confident | 86.2 | Confident | 169 Ų | 169 | 60.4 Ų | 60.4 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -41.5 | 176.1 | -61.4 | -95.4 | 0 | 0 | 0 | 111.8 | Q33 T34 E35 I40 I41 | Q33-Y37 WeakPolarHBondContact O-CD2 3.19Å; T34-Y37 WeakPolarHBondContact O-CB 3.45Å; T34-Y37 PolarHBondContact O-N 3.15Å; T34-Y37 VanDerWaalsContact O-N 3.12Å; E35-Y37 VanDerWaalsContact C-N 3.25Å; E35-Y37 PolarHBondContact O-N 3.46Å; Y37-I40 PolarHBondContact O-N 3.27Å; Y37-I41 WeakPolarHBondContact O-CD1 3.25Å; Y37-I41 VanDerWaalsContact O-CG1 3.29Å; Y37-I41 WeakPolarHBondContact O-CG1 3.3Å; Y37-I41 PolarHBondContact O-N 3.1Å |
| 38 | F | 87.4 | Confident | 86.3 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 175.3 | -68.1 | -72.9 | 0 | 0 | 0 | 112.5 | T5 A8 N9 V12 T34 E35 I41 F42 | T5-F38 WeakPolarHBondContact O-CE1 3.16Å; A8-F38 HydrophobicContact CB-CE1 4Å; A8-F38 HydrophobicContact CB-CZ 4.05Å; N9-F38 HydrophobicContact CB-CD1 3.9Å; N9-F38 HydrophobicContact CB-CD2 4.5Å; N9-F38 HydrophobicContact CB-CE1 3.85Å; N9-F38 HydrophobicContact CB-CE2 4.46Å; N9-F38 HydrophobicContact CB-CG 4.23Å; N9-F38 HydrophobicContact CB-CZ 4.14Å; N9-F38 VanDerWaalsContact ND2-CB 3.25Å; N9-F38 WeakPolarHBondContact ND2-CB 3.43Å; N9-F38 WeakPolarHBondContact ND2-CD2 3.05Å; N9-F38 WeakPolarHBondContact ND2-CG 3.41Å; V12-F38 HydrophobicContact CB-CE2 4.3Å; V12-F38 HydrophobicContact CG1-CE2 4.39Å; V12-F38 HydrophobicContact CG2-CE2 3.99Å; V12-F38 HydrophobicContact CG2-CZ 4.22Å; T34-F38 VanDerWaalsContact O-CD2 3.24Å; T34-F38 WeakPolarHBondContact O-CD2 3.19Å; T34-F38 PolarHBondContact O-N 2.95Å; E35-F38 PolarHBondContact O-N 2.83Å; E35-F38 VanDerWaalsContact O-N 3.13Å; F38-I41 PolarHBondContact O-N 2.77Å; F38-F42 HydrophobicContact CB-CE2 4.33Å; F38-F42 WeakPolarHBondContact O-CD2 3.3Å; F38-F42 WeakPolarHBondContact O-CG 3.11Å; F38-F42 PolarHBondContact O-N 2.89Å |
| 39 | L | 83.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.7 | -179.2 | 59.6 | 0 | 0 | 0 | 111.3 | E35 T36 F42 C43 G78 | E35-L39 PolarHBondContact O-N 3.22Å; T36-L39 PolarHBondContact O-N 3.01Å; L39-F42 PolarHBondContact O-N 3.42Å; L39-C43 VanDerWaalsContact O-CB 3.24Å; L39-C43 WeakPolarHBondContact O-CB 3.29Å; L39-C43 PolarHBondContact O-N 2.82Å; L39-G78 WeakPolarHBondContact CD2-O 3.31Å |
| 40 | I | 88.4 | Confident | 86.7 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 174.1 | -69.3 | 163.5 | 0 | 0 | 0 | 110.8 | T36 Y37 F42 C43 V44 | T36-I40 HydrophobicContact CG2-CD1 4.12Å; T36-I40 WeakPolarHBondContact O-CD1 2.94Å; T36-I40 VanDerWaalsContact O-CG1 3.27Å; T36-I40 WeakPolarHBondContact O-CG1 3.38Å; T36-I40 PolarHBondContact O-N 3.41Å; Y37-I40 PolarHBondContact O-N 3.27Å; I40-F42 PolarHBondContact O-N 2.92Å; I40-C43 PolarHBondContact O-N 2.71Å; I40-V44 WeakPolarHBondContact O-CG2 3.37Å; I40-V44 PolarHBondContact O-N 2.91Å |
| 41 | I | 88.7 | Confident | 86.8 | Confident | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 178.7 | -69.9 | 163.3 | 0 | 0 | 0 | 111.4 | T5 Y37 F38 V44 E45 | T5-I41 HydrophobicContact CG2-CG2 4.49Å; Y37-I41 WeakPolarHBondContact O-CD1 3.25Å; Y37-I41 VanDerWaalsContact O-CG1 3.29Å; Y37-I41 WeakPolarHBondContact O-CG1 3.3Å; Y37-I41 PolarHBondContact O-N 3.1Å; F38-I41 PolarHBondContact O-N 2.77Å; I41-V44 PolarHBondContact O-N 3.19Å; I41-E45 WeakPolarHBondContact O-CB 3.48Å; I41-E45 PolarHBondContact O-N 3.28Å |
| 42 | F | 86.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.9 | -32.3 | 178.4 | -64.2 | -46 | 0 | 0 | 0 | 112.9 | I6 F38 L39 I40 E45 A46 V75 R99 K102 | I6-F42 HydrophobicContact CG1-CE1 4.14Å; I6-F42 HydrophobicContact CG1-CZ 4.21Å; F38-F42 HydrophobicContact CB-CE2 4.33Å; F38-F42 WeakPolarHBondContact O-CD2 3.3Å; F38-F42 WeakPolarHBondContact O-CG 3.11Å; F38-F42 PolarHBondContact O-N 2.89Å; L39-F42 PolarHBondContact O-N 3.42Å; I40-F42 PolarHBondContact O-N 2.92Å; F42-E45 WeakPolarHBondContact CD1-OE2 3.43Å; F42-E45 PolarHBondContact O-N 2.65Å; F42-A46 WeakPolarHBondContact O-CB 3.46Å; F42-A46 PolarHBondContact O-N 3.29Å; F42-V75 HydrophobicContact CB-CG2 3.78Å; F42-R99 HydrophobicContact CE2-CG 4.5Å; F42-K102 VanDerWaalsContact CD1-NZ 3.27Å |
| 43 | C | 88.1 | Confident | 87.3 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 173.2 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | L39 I40 A46 L47 V75 | L39-C43 VanDerWaalsContact O-CB 3.24Å; L39-C43 WeakPolarHBondContact O-CB 3.29Å; L39-C43 PolarHBondContact O-N 2.82Å; I40-C43 PolarHBondContact O-N 2.71Å; C43-A46 PolarHBondContact O-N 3.44Å; C43-L47 VanDerWaalsContact O-CB 3.25Å; C43-L47 WeakPolarHBondContact O-CB 2.76Å; C43-L47 PolarHBondContact O-N 3.02Å; C43-V75 HydrophobicContact CB-CG1 4.24Å |
| 44 | V | 90.2 | Very high | 87.4 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | I40 I41 L47 L48 | I40-V44 WeakPolarHBondContact O-CG2 3.37Å; I40-V44 PolarHBondContact O-N 2.91Å; I41-V44 PolarHBondContact O-N 3.19Å; V44-L47 PolarHBondContact O-N 3.38Å; V44-L48 HydrophobicContact CG1-CD1 3.83Å; V44-L48 HydrophobicContact CG1-CG 4.35Å; V44-L48 WeakPolarHBondContact O-CB 3.2Å; V44-L48 VanDerWaalsContact O-CG 3.25Å; V44-L48 WeakPolarHBondContact O-CG 3.02Å; V44-L48 PolarHBondContact O-N 3.03Å |
| 45 | E | 87.6 | Confident | 87.3 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 175.2 | -176 | -175.7 | -178.2 | 0 | 0 | 111.8 | V2 I41 F42 L48 K49 K102 | V2-E45 WeakPolarHBondContact CG1-OE1 3.48Å; V2-E45 WeakPolarHBondContact CG1-OE2 3.41Å; I41-E45 WeakPolarHBondContact O-CB 3.48Å; I41-E45 PolarHBondContact O-N 3.28Å; F42-E45 WeakPolarHBondContact CD1-OE2 3.43Å; F42-E45 PolarHBondContact O-N 2.65Å; E45-L48 PolarHBondContact O-N 2.81Å; E45-K49 VanDerWaalsContact CD-NZ 3.34Å; E45-K49 HydrophobicContact CG-CD 4.33Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 2.77Å; E45-K49 WeakPolarHBondContact OE1-CE 3.4Å; E45-K49 IonicContact OE1-NZ 3.5Å; E45-K49 PolarHBondContact OE1-NZ 2.94Å; E45-K102 IonicContact OE2-NZ 3.16Å |
| 46 | A | 86.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F42 C43 K49 I50 V75 | F42-A46 WeakPolarHBondContact O-CB 3.46Å; F42-A46 PolarHBondContact O-N 3.29Å; C43-A46 PolarHBondContact O-N 3.44Å; A46-K49 PolarHBondContact O-N 3.49Å; A46-I50 WeakPolarHBondContact O-CB 3.5Å; A46-I50 VanDerWaalsContact O-CG1 3.22Å; A46-I50 WeakPolarHBondContact O-CG1 2.8Å; A46-I50 PolarHBondContact O-N 2.78Å; A46-V75 HydrophobicContact CB-CG2 4.11Å |
| 47 | L | 89.8 | Confident | 87.4 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 55% | 0.55 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 177.3 | -176.1 | 67.1 | 0 | 0 | 0 | 111.5 | C43 V44 K49 I50 V51 | C43-L47 VanDerWaalsContact O-CB 3.25Å; C43-L47 WeakPolarHBondContact O-CB 2.76Å; C43-L47 PolarHBondContact O-N 3.02Å; V44-L47 PolarHBondContact O-N 3.38Å; L47-K49 VanDerWaalsContact C-N 3.34Å; L47-K49 PolarHBondContact O-N 3.11Å; L47-I50 PolarHBondContact O-N 3.08Å; L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.03Å |
| 48 | L | 91.2 | Very high | 87.1 | Confident | 115 Ų | 115 | 57 Ų | 57 | 60% | 0.602 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 177.3 | -71.5 | 170.8 | 0 | 0 | 0 | 112 | V44 E45 A52 | V44-L48 HydrophobicContact CG1-CD1 3.83Å; V44-L48 HydrophobicContact CG1-CG 4.35Å; V44-L48 WeakPolarHBondContact O-CB 3.2Å; V44-L48 VanDerWaalsContact O-CG 3.25Å; V44-L48 WeakPolarHBondContact O-CG 3.02Å; V44-L48 PolarHBondContact O-N 3.03Å; E45-L48 PolarHBondContact O-N 2.81Å; L48-A52 VanDerWaalsContact O-CB 3.24Å; L48-A52 WeakPolarHBondContact O-CB 3.45Å; L48-A52 PolarHBondContact O-N 3.4Å |
| 49 | K | 88.9 | Confident | 86.6 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 174.5 | -70.1 | 172.7 | -173.6 | 170.5 | 0 | 112.7 | E45 A46 L47 A52 L53 Y62 D71 | E45-K49 VanDerWaalsContact CD-NZ 3.34Å; E45-K49 HydrophobicContact CG-CD 4.33Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 2.77Å; E45-K49 WeakPolarHBondContact OE1-CE 3.4Å; E45-K49 IonicContact OE1-NZ 3.5Å; E45-K49 PolarHBondContact OE1-NZ 2.94Å; A46-K49 PolarHBondContact O-N 3.49Å; L47-K49 VanDerWaalsContact C-N 3.34Å; L47-K49 PolarHBondContact O-N 3.11Å; K49-A52 PolarHBondContact O-N 2.68Å; K49-L53 VanDerWaalsContact O-CB 3.26Å; K49-L53 WeakPolarHBondContact O-CB 3.48Å; K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.46Å; K49-Y62 HydrophobicContact CB-CD2 3.57Å; K49-Y62 HydrophobicContact CB-CE2 3.56Å; K49-Y62 HydrophobicContact CD-CD2 4.34Å; K49-Y62 HydrophobicContact CD-CE2 3.71Å; K49-Y62 HydrophobicContact CG-CE2 4.31Å; K49-D71 IonicContact NZ-OD2 3.15Å; K49-D71 PolarHBondContact NZ-OD2 3.18Å |
| 50 | I | 89.5 | Confident | 86.4 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 177.9 | -73.7 | 165.3 | 0 | 0 | 0 | 110.5 | A46 L47 G54 F55 Y62 F72 | A46-I50 WeakPolarHBondContact O-CB 3.5Å; A46-I50 VanDerWaalsContact O-CG1 3.22Å; A46-I50 WeakPolarHBondContact O-CG1 2.8Å; A46-I50 PolarHBondContact O-N 2.78Å; L47-I50 PolarHBondContact O-N 3.08Å; I50-G54 CarbonylContact O-C 3.59Å; I50-G54 VanDerWaalsContact O-CA 3.28Å; I50-G54 WeakPolarHBondContact O-CA 3.22Å; I50-G54 PolarHBondContact O-N 3.39Å; I50-F55 HydrophobicContact CD1-CD2 4.18Å; I50-F55 HydrophobicContact CD1-CE2 4.31Å; I50-F55 HydrophobicContact CG1-CD2 4.17Å; I50-F55 HydrophobicContact CG2-CB 4.16Å; I50-F55 HydrophobicContact CG2-CD2 3.92Å; I50-Y62 HydrophobicContact CD1-CD1 3.95Å; I50-Y62 HydrophobicContact CD1-CE1 3.83Å; I50-Y62 HydrophobicContact CG1-CD1 3.31Å; I50-Y62 HydrophobicContact CG1-CD2 4.29Å; I50-Y62 HydrophobicContact CG1-CE1 3.62Å; I50-Y62 HydrophobicContact CG1-CG 3.67Å; I50-F72 HydrophobicContact CD1-CD2 4.37Å; I50-F72 HydrophobicContact CD1-CE2 4.4Å |
| 51 | V | 90 | Very high | 86.2 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.4 | -47.1 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L47 L53 | L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.03Å; V51-L53 PolarHBondContact O-N 2.82Å |
| 52 | A | 89.3 | Confident | 86.2 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 69% | 0.694 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -75.8 | -20.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L48 K49 | L48-A52 VanDerWaalsContact O-CB 3.24Å; L48-A52 WeakPolarHBondContact O-CB 3.45Å; L48-A52 PolarHBondContact O-N 3.4Å; K49-A52 PolarHBondContact O-N 2.68Å |
| 53 | L | 87.5 | Confident | 86.2 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -110.6 | -18.5 | -177.3 | -63 | 175.1 | 0 | 0 | 0 | 113.8 | K49 V51 H58 A61 Y62 | K49-L53 VanDerWaalsContact O-CB 3.26Å; K49-L53 WeakPolarHBondContact O-CB 3.48Å; K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.46Å; V51-L53 PolarHBondContact O-N 2.82Å; L53-H58 PolarHBondContact O-ND1 3.19Å; L53-A61 WeakPolarHBondContact O-CA 3.11Å; L53-Y62 HydrophobicContact CD1-CD2 4.38Å |
| 54 | G | 84.9 | Confident | 86 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | trans | 77.1 | 144.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I50 A61 Y62 Y1894 | I50-G54 CarbonylContact O-C 3.59Å; I50-G54 VanDerWaalsContact O-CA 3.28Å; I50-G54 WeakPolarHBondContact O-CA 3.22Å; I50-G54 PolarHBondContact O-N 3.39Å; G54-A61 CarbonylContact O-C 3.57Å; G54-A61 WeakPolarHBondContact O-CA 3.46Å; G54-A61 WeakPolarHBondContact O-CB 3.34Å; G54-Y62 PolarHBondContact O-N 2.85Å; G54-Y1894 WeakPolarHBondContact CA-OH 3.42Å | ||
| 55 | F | 85.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -62.9 | -58.6 | -169.5 | -174.8 | -119.5 | 0 | 0 | 0 | 114.3 | I50 L63 F72 | I50-F55 HydrophobicContact CD1-CD2 4.18Å; I50-F55 HydrophobicContact CD1-CE2 4.31Å; I50-F55 HydrophobicContact CG1-CD2 4.17Å; I50-F55 HydrophobicContact CG2-CB 4.16Å; I50-F55 HydrophobicContact CG2-CD2 3.92Å; F55-L63 HydrophobicContact CD1-CD1 4.28Å; F55-L63 HydrophobicContact CD2-CD1 4.19Å; F55-L63 HydrophobicContact CD2-CG 4.45Å; F55-L63 HydrophobicContact CE1-CD1 3.85Å; F55-L63 HydrophobicContact CE2-CD1 3.75Å; F55-L63 HydrophobicContact CE2-CG 4.26Å; F55-L63 HydrophobicContact CG-CD1 4.44Å; F55-L63 HydrophobicContact CZ-CD1 3.57Å; F55-L63 WeakPolarHBondContact O-CB 3.13Å; F55-L63 WeakPolarHBondContact O-CG 3.27Å; F55-L63 PolarHBondContact O-N 2.73Å; F55-L63 VanDerWaalsContact O-N 3.08Å; F55-F72 HydrophobicContact CE2-CE2 4.05Å; F55-F72 HydrophobicContact CE2-CZ 4.12Å; F55-F72 HydrophobicContact CZ-CZ 4.19Å |
| 56 | A | 83.8 | Confident | 85.3 | Confident | 18 Ų | 18 | 77.5 Ų | 77.5 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -140.7 | -41.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H58 A61 L63 Y1898 | A56-H58 PolarHBondContact O-N 2.89Å; A56-A61 WeakPolarHBondContact O-CB 3.19Å; A56-L63 HydrophobicContact CB-CD1 4.46Å; A56-Y1898 HydrophobicContact CB-CE2 4.41Å; A56-Y1898 WeakPolarHBondContact CB-OH 3.44Å |
| 57 | F | 79.3 | Confident | 84.9 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -77.8 | -15.9 | -169.1 | -68.2 | -102.8 | 0 | 0 | 0 | 115.4 | T1895 Y1898 | F57-T1895 VanDerWaalsContact CB-CB 3.43Å; F57-T1895 HydrophobicContact CB-CG2 3.33Å; F57-T1895 HydrophobicContact CG-CG2 4.29Å; F57-Y1898 HydrophobicContact CB-CD2 4.41Å; F57-Y1898 HydrophobicContact CB-CE2 4.05Å; F57-Y1898 HydrophobicContact CD1-CD1 4.21Å; F57-Y1898 AromaticContact CD1-CD2 3.24Å; F57-Y1898 HydrophobicContact CD1-CD2 3.24Å; F57-Y1898 HydrophobicContact CD1-CE1 4.21Å; F57-Y1898 AromaticContact CD1-CE2 3.25Å; F57-Y1898 HydrophobicContact CD1-CE2 3.25Å; F57-Y1898 AromaticContact CD1-CG 3.76Å; F57-Y1898 HydrophobicContact CD1-CG 3.76Å; F57-Y1898 AromaticContact CD1-CZ 3.74Å; F57-Y1898 AromaticContact CD2-CE2 3.83Å; F57-Y1898 HydrophobicContact CD2-CE2 3.83Å; F57-Y1898 AromaticContact CD2-CZ 3.87Å; F57-Y1898 AromaticContact CE1-CD1 3.65Å; F57-Y1898 HydrophobicContact CE1-CD1 3.65Å; F57-Y1898 AromaticContact CE1-CD2 3.58Å; F57-Y1898 HydrophobicContact CE1-CD2 3.58Å; F57-Y1898 AromaticContact CE1-CE1 3.63Å; F57-Y1898 HydrophobicContact CE1-CE1 3.63Å; F57-Y1898 AromaticContact CE1-CE2 3.57Å; F57-Y1898 HydrophobicContact CE1-CE2 3.57Å; F57-Y1898 AromaticContact CE1-CG 3.63Å; F57-Y1898 HydrophobicContact CE1-CG 3.63Å; F57-Y1898 AromaticContact CE1-CZ 3.57Å; F57-Y1898 HydrophobicContact CE2-CE1 4.22Å; F57-Y1898 HydrophobicContact CE2-CE2 4.11Å; F57-Y1898 AromaticContact CE2-CZ 3.7Å; F57-Y1898 AromaticContact CG-CD2 3.83Å; F57-Y1898 HydrophobicContact CG-CD2 3.83Å; F57-Y1898 AromaticContact CG-CE2 3.37Å; F57-Y1898 HydrophobicContact CG-CE2 3.37Å; F57-Y1898 AromaticContact CG-CZ 3.88Å; F57-Y1898 HydrophobicContact CZ-CD1 4.1Å; F57-Y1898 HydrophobicContact CZ-CD2 4.41Å; F57-Y1898 AromaticContact CZ-CE1 3.63Å; F57-Y1898 HydrophobicContact CZ-CE1 3.63Å; F57-Y1898 AromaticContact CZ-CE2 3.99Å; F57-Y1898 HydrophobicContact CZ-CE2 3.99Å; F57-Y1898 HydrophobicContact CZ-CG 4.47Å; F57-Y1898 AromaticContact CZ-CZ 3.55Å |
| 58 | H | 81.3 | Confident | 84.6 | Confident | 67 Ų | 67 | 75.7 Ų | 75.7 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -82.7 | 153.6 | -177 | 177.4 | -134.9 | 0 | 0 | 0 | 112.4 | L53 A56 K60 A61 R64 T1895 | L53-H58 PolarHBondContact O-ND1 3.19Å; A56-H58 PolarHBondContact O-N 2.89Å; H58-K60 VanDerWaalsContact C-N 3.25Å; H58-K60 PolarHBondContact O-N 3.3Å; H58-A61 HydrophobicContact CB-CB 4.06Å; H58-A61 WeakPolarHBondContact O-CB 3.43Å; H58-A61 PolarHBondContact O-N 3.3Å; H58-R64 VanDerWaalsContact O-CD 3.31Å; H58-R64 WeakPolarHBondContact O-CD 3.07Å; H58-T1895 HydrophobicContact CB-CG2 4.49Å |
| 59 | R | 77.7 | Confident | 84.3 | Confident | 224 Ų | 224 | 73.4 Ų | 73.4 | 85% | 0.845 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.5 | -179.5 | -77.6 | -169.4 | 177.6 | -161.7 | 1 | 113.5 | ||
| 60 | K | 79.6 | Confident | 83.8 | Confident | 163 Ų | 163 | 72.7 Ų | 72.7 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 21.2 | 173.3 | -62.8 | -179.4 | -179.7 | 173.5 | 0 | 112.8 | H58 | H58-K60 VanDerWaalsContact C-N 3.25Å; H58-K60 PolarHBondContact O-N 3.3Å |
| 61 | A | 82.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | trans | -54.5 | 148.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L53 G54 A56 H58 L63 R64 | L53-A61 WeakPolarHBondContact O-CA 3.11Å; G54-A61 CarbonylContact O-C 3.57Å; G54-A61 WeakPolarHBondContact O-CA 3.46Å; G54-A61 WeakPolarHBondContact O-CB 3.34Å; A56-A61 WeakPolarHBondContact O-CB 3.19Å; H58-A61 HydrophobicContact CB-CB 4.06Å; H58-A61 WeakPolarHBondContact O-CB 3.43Å; H58-A61 PolarHBondContact O-N 3.3Å; A61-L63 PolarHBondContact O-N 3.25Å; A61-R64 HydrophobicContact CB-CG 4.2Å; A61-R64 WeakPolarHBondContact O-CB 3.04Å; A61-R64 PolarHBondContact O-N 2.83Å | ||
| 62 | Y | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -47.1 | -56.6 | -179.4 | 178.2 | -112.1 | 0 | 0 | 0 | 111.8 | K49 I50 L53 G54 R64 N65 N68 F72 | K49-Y62 HydrophobicContact CB-CD2 3.57Å; K49-Y62 HydrophobicContact CB-CE2 3.56Å; K49-Y62 HydrophobicContact CD-CD2 4.34Å; K49-Y62 HydrophobicContact CD-CE2 3.71Å; K49-Y62 HydrophobicContact CG-CE2 4.31Å; I50-Y62 HydrophobicContact CD1-CD1 3.95Å; I50-Y62 HydrophobicContact CD1-CE1 3.83Å; I50-Y62 HydrophobicContact CG1-CD1 3.31Å; I50-Y62 HydrophobicContact CG1-CD2 4.29Å; I50-Y62 HydrophobicContact CG1-CE1 3.62Å; I50-Y62 HydrophobicContact CG1-CG 3.67Å; L53-Y62 HydrophobicContact CD1-CD2 4.38Å; G54-Y62 PolarHBondContact O-N 2.85Å; Y62-R64 PolarHBondContact O-N 2.75Å; Y62-R64 VanDerWaalsContact O-N 3.11Å; Y62-N65 PolarHBondContact O-N 2.63Å; Y62-N68 HydrophobicContact CD2-CB 3.62Å; Y62-N68 WeakPolarHBondContact CD2-ND2 2.82Å; Y62-N68 HydrophobicContact CE1-CB 4.47Å; Y62-N68 HydrophobicContact CE2-CB 3.51Å; Y62-N68 HydrophobicContact CG-CB 4.15Å; Y62-N68 WeakPolarHBondContact O-CB 3.45Å; Y62-N68 PolarHBondContact O-ND2 2.91Å; Y62-N68 PolarHBondContact OH-O 3.19Å; Y62-F72 HydrophobicContact CE1-CB 3.86Å; Y62-F72 AromaticContact CE1-CD2 3.99Å; Y62-F72 HydrophobicContact CE1-CD2 3.99Å; Y62-F72 HydrophobicContact CE1-CG 4.24Å; Y62-F72 PolarHBondContact OH-N 3.05Å |
| 63 | L | 86.8 | Confident | 82.7 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -71.5 | -0 | -178.1 | -64.8 | -179.6 | 0 | 0 | 0 | 115.4 | F55 A56 A61 I69 F72 | F55-L63 HydrophobicContact CD1-CD1 4.28Å; F55-L63 HydrophobicContact CD2-CD1 4.19Å; F55-L63 HydrophobicContact CD2-CG 4.45Å; F55-L63 HydrophobicContact CE1-CD1 3.85Å; F55-L63 HydrophobicContact CE2-CD1 3.75Å; F55-L63 HydrophobicContact CE2-CG 4.26Å; F55-L63 HydrophobicContact CG-CD1 4.44Å; F55-L63 HydrophobicContact CZ-CD1 3.57Å; F55-L63 WeakPolarHBondContact O-CB 3.13Å; F55-L63 WeakPolarHBondContact O-CG 3.27Å; F55-L63 PolarHBondContact O-N 2.73Å; F55-L63 VanDerWaalsContact O-N 3.08Å; A56-L63 HydrophobicContact CB-CD1 4.46Å; A61-L63 PolarHBondContact O-N 3.25Å; L63-I69 WeakPolarHBondContact O-CD1 3.17Å; L63-I69 WeakPolarHBondContact O-CG1 3.17Å; L63-F72 HydrophobicContact CD2-CB 4.1Å; L63-F72 HydrophobicContact CD2-CD1 3.96Å; L63-F72 HydrophobicContact CD2-CG 3.96Å |
| 64 | R | 84.5 | Confident | 82.3 | Confident | 170 Ų | 170 | 67 Ų | 67 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -88.5 | -9.4 | 173.6 | -66.9 | -172.2 | 69 | 156.6 | 2.9 | 113.7 | H58 A61 Y62 | H58-R64 VanDerWaalsContact O-CD 3.31Å; H58-R64 WeakPolarHBondContact O-CD 3.07Å; A61-R64 HydrophobicContact CB-CG 4.2Å; A61-R64 WeakPolarHBondContact O-CB 3.04Å; A61-R64 PolarHBondContact O-N 2.83Å; Y62-R64 PolarHBondContact O-N 2.75Å; Y62-R64 VanDerWaalsContact O-N 3.11Å |
| 65 | N | 81.6 | Confident | 82.3 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.353 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -99.4 | 121.9 | 173.6 | 174.7 | 21.2 | 0 | 0 | 0 | 109.8 | Y62 W67 N68 I69 | Y62-N65 PolarHBondContact O-N 2.63Å; N65-W67 PolarHBondContact O-N 3.36Å; N65-W67 VanDerWaalsContact O-N 3.13Å; N65-W67 PolarHBondContact OD1-N 2.85Å; N65-N68 HydrophobicContact CB-CB 4.09Å; N65-N68 PolarHBondContact ND2-OD1 2.77Å; N65-N68 WeakPolarHBondContact O-CA 3.23Å; N65-N68 WeakPolarHBondContact O-CB 3.18Å; N65-N68 PolarHBondContact O-N 3.42Å; N65-I69 PolarHBondContact O-N 2.66Å |
| 66 | I | 81.5 | Confident | 82.3 | Confident | 131 Ų | 131 | 66 Ų | 66 | 67% | 0.672 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.5 | -39.7 | -177.8 | -60.9 | 168.6 | 0 | 0 | 0 | 111.7 | N68 I69 M70 | I66-N68 VanDerWaalsContact C-N 3.33Å; I66-N68 PolarHBondContact O-N 3.15Å; I66-I69 WeakPolarHBondContact O-CB 3.31Å; I66-I69 PolarHBondContact O-N 2.69Å; I66-M70 PolarHBondContact O-N 2.85Å; I66-M70 VanDerWaalsContact O-N 3.1Å |
| 67 | W | 78.8 | Confident | 82.1 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.3 | -30.2 | 178.7 | -59.8 | 110.7 | 0 | 0 | 0 | 113.7 | N65 M70 D71 L101 V104 T105 L114 | N65-W67 PolarHBondContact O-N 3.36Å; N65-W67 VanDerWaalsContact O-N 3.13Å; N65-W67 PolarHBondContact OD1-N 2.85Å; W67-M70 HydrophobicContact CE3-CE 3.76Å; W67-M70 HydrophobicContact CE3-SD 4.14Å; W67-M70 HydrophobicContact CZ3-CE 3.69Å; W67-M70 HydrophobicContact CZ3-SD 4.27Å; W67-D71 WeakPolarHBondContact O-CB 3.01Å; W67-D71 PolarHBondContact O-N 3.3Å; W67-D71 VanDerWaalsContact O-N 3.07Å; W67-L101 HydrophobicContact CZ3-CG 4.43Å; W67-V104 HydrophobicContact CH2-CB 3.94Å; W67-V104 HydrophobicContact CH2-CG1 3.68Å; W67-V104 HydrophobicContact CZ2-CG1 4.13Å; W67-V104 HydrophobicContact CZ3-CB 4.32Å; W67-T105 HydrophobicContact CB-CG2 3.92Å; W67-T105 HydrophobicContact CD2-CG2 3.55Å; W67-T105 HydrophobicContact CE3-CG2 3.41Å; W67-T105 VanDerWaalsContact CE3-CG2 3.41Å; W67-T105 HydrophobicContact CG-CG2 3.78Å; W67-T105 HydrophobicContact CZ3-CG2 4.07Å; W67-L114 HydrophobicContact CH2-CD2 3.75Å; W67-L114 HydrophobicContact CZ2-CD2 4.14Å |
| 68 | N | 83.1 | Confident | 82.1 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.9 | -28.7 | 173.5 | -70.4 | -6.2 | 0 | 0 | 0 | 111.8 | Y62 N65 I66 D71 F72 | Y62-N68 HydrophobicContact CD2-CB 3.62Å; Y62-N68 WeakPolarHBondContact CD2-ND2 2.82Å; Y62-N68 HydrophobicContact CE1-CB 4.47Å; Y62-N68 HydrophobicContact CE2-CB 3.51Å; Y62-N68 HydrophobicContact CG-CB 4.15Å; Y62-N68 WeakPolarHBondContact O-CB 3.45Å; Y62-N68 PolarHBondContact O-ND2 2.91Å; Y62-N68 PolarHBondContact OH-O 3.19Å; N65-N68 HydrophobicContact CB-CB 4.09Å; N65-N68 PolarHBondContact ND2-OD1 2.77Å; N65-N68 WeakPolarHBondContact O-CA 3.23Å; N65-N68 WeakPolarHBondContact O-CB 3.18Å; N65-N68 PolarHBondContact O-N 3.42Å; I66-N68 VanDerWaalsContact C-N 3.33Å; I66-N68 PolarHBondContact O-N 3.15Å; N68-D71 PolarHBondContact O-N 3.26Å; N68-F72 VanDerWaalsContact O-CB 3.32Å; N68-F72 WeakPolarHBondContact O-CB 2.25Å; N68-F72 PolarHBondContact O-N 2.67Å |
| 69 | I | 85.1 | Confident | 82.2 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 35% | 0.349 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 171.3 | -57.8 | 172.5 | 0 | 0 | 0 | 109.4 | L63 N65 I66 F72 I73 | L63-I69 WeakPolarHBondContact O-CD1 3.17Å; L63-I69 WeakPolarHBondContact O-CG1 3.17Å; N65-I69 PolarHBondContact O-N 2.66Å; I66-I69 WeakPolarHBondContact O-CB 3.31Å; I66-I69 PolarHBondContact O-N 2.69Å; I69-F72 WeakPolarHBondContact O-CB 2.73Å; I69-F72 PolarHBondContact O-N 2.95Å; I69-I73 HydrophobicContact CG2-CD1 3.94Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.38Å; I69-I73 PolarHBondContact O-N 3.37Å |
| 70 | M | 77.3 | Confident | 82.3 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 174 | -177.2 | -169.5 | -61.8 | 0 | 0 | 112.1 | I66 W67 F72 I73 V74 L101 | I66-M70 PolarHBondContact O-N 2.85Å; I66-M70 VanDerWaalsContact O-N 3.1Å; W67-M70 HydrophobicContact CE3-CE 3.76Å; W67-M70 HydrophobicContact CE3-SD 4.14Å; W67-M70 HydrophobicContact CZ3-CE 3.69Å; W67-M70 HydrophobicContact CZ3-SD 4.27Å; M70-F72 PolarHBondContact O-N 3.36Å; M70-I73 PolarHBondContact O-N 2.89Å; M70-V74 WeakPolarHBondContact O-CG2 2.25Å; M70-V74 PolarHBondContact O-N 3.3Å; M70-L101 HydrophobicContact CE-CD2 3.43Å; M70-L101 VanDerWaalsContact CE-CD2 3.43Å; M70-L101 HydrophobicContact CE-CG 3.85Å; M70-L101 HydrophobicContact SD-CB 4.1Å; M70-L101 HydrophobicContact SD-CD2 3.86Å; M70-L101 HydrophobicContact SD-CG 3.9Å |
| 71 | D | 78.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.7 | -166.7 | 14.4 | 0 | 0 | 0 | 111.8 | K49 W67 N68 V74 V75 K102 | K49-D71 IonicContact NZ-OD2 3.15Å; K49-D71 PolarHBondContact NZ-OD2 3.18Å; W67-D71 WeakPolarHBondContact O-CB 3.01Å; W67-D71 PolarHBondContact O-N 3.3Å; W67-D71 VanDerWaalsContact O-N 3.07Å; N68-D71 PolarHBondContact O-N 3.26Å; D71-V74 PolarHBondContact O-N 3.4Å; D71-V75 WeakPolarHBondContact O-CG2 2.26Å; D71-V75 PolarHBondContact O-N 3.06Å; D71-V75 VanDerWaalsContact O-N 3.08Å; D71-K102 WeakPolarHBondContact OD1-CE 3.35Å; D71-K102 IonicContact OD1-NZ 2.65Å; D71-K102 PolarHBondContact OD1-NZ 3.05Å |
| 72 | F | 84.9 | Confident | 82 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 28% | 0.281 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.1 | -170.8 | -113 | 0 | 0 | 0 | 112.8 | I50 F55 Y62 L63 N68 I69 M70 V74 V75 V76 | I50-F72 HydrophobicContact CD1-CD2 4.37Å; I50-F72 HydrophobicContact CD1-CE2 4.4Å; F55-F72 HydrophobicContact CE2-CE2 4.05Å; F55-F72 HydrophobicContact CE2-CZ 4.12Å; F55-F72 HydrophobicContact CZ-CZ 4.19Å; Y62-F72 HydrophobicContact CE1-CB 3.86Å; Y62-F72 AromaticContact CE1-CD2 3.99Å; Y62-F72 HydrophobicContact CE1-CD2 3.99Å; Y62-F72 HydrophobicContact CE1-CG 4.24Å; Y62-F72 PolarHBondContact OH-N 3.05Å; L63-F72 HydrophobicContact CD2-CB 4.1Å; L63-F72 HydrophobicContact CD2-CD1 3.96Å; L63-F72 HydrophobicContact CD2-CG 3.96Å; N68-F72 VanDerWaalsContact O-CB 3.32Å; N68-F72 WeakPolarHBondContact O-CB 2.25Å; N68-F72 PolarHBondContact O-N 2.67Å; I69-F72 WeakPolarHBondContact O-CB 2.73Å; I69-F72 PolarHBondContact O-N 2.95Å; M70-F72 PolarHBondContact O-N 3.36Å; F72-V74 PolarHBondContact O-N 3.13Å; F72-V75 PolarHBondContact O-N 2.73Å; F72-V76 HydrophobicContact CD1-CG2 4.15Å; F72-V76 HydrophobicContact CD2-CG2 4.24Å; F72-V76 HydrophobicContact CE1-CG2 3.84Å; F72-V76 HydrophobicContact CE2-CG2 3.94Å; F72-V76 HydrophobicContact CG-CG2 4.34Å; F72-V76 HydrophobicContact CZ-CG2 3.73Å; F72-V76 WeakPolarHBondContact O-CB 2.23Å; F72-V76 VanDerWaalsContact O-CG2 3.28Å; F72-V76 WeakPolarHBondContact O-CG2 3.39Å; F72-V76 PolarHBondContact O-N 3.43Å |
| 73 | I | 83.4 | Confident | 81.7 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 41% | 0.41 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 178 | -71.2 | 165.4 | 0 | 0 | 0 | 110.3 | I69 M70 V75 V76 T77 | I69-I73 HydrophobicContact CG2-CD1 3.94Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.38Å; I69-I73 PolarHBondContact O-N 3.37Å; M70-I73 PolarHBondContact O-N 2.89Å; I73-V75 VanDerWaalsContact C-N 3.33Å; I73-V75 PolarHBondContact O-N 3.37Å; I73-V76 PolarHBondContact O-N 3.44Å; I73-T77 HydrophobicContact CG2-CG2 4.14Å; I73-T77 WeakPolarHBondContact O-CG2 2.59Å; I73-T77 PolarHBondContact O-N 3.29Å; I73-T77 PolarHBondContact O-OG1 3.21Å |
| 74 | V | 78.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 179.8 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | M70 D71 F72 T77 G78 L98 R99 | M70-V74 WeakPolarHBondContact O-CG2 2.25Å; M70-V74 PolarHBondContact O-N 3.3Å; D71-V74 PolarHBondContact O-N 3.4Å; F72-V74 PolarHBondContact O-N 3.13Å; V74-T77 PolarHBondContact O-OG1 2.18Å; V74-G78 PolarHBondContact O-N 3Å; V74-L98 HydrophobicContact CG2-CB 4.34Å; V74-R99 HydrophobicContact CG1-CG 3.68Å |
| 75 | V | 85.1 | Confident | 80.4 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | F42 C43 A46 D71 F72 I73 L79 | F42-V75 HydrophobicContact CB-CG2 3.78Å; C43-V75 HydrophobicContact CB-CG1 4.24Å; A46-V75 HydrophobicContact CB-CG2 4.11Å; D71-V75 WeakPolarHBondContact O-CG2 2.26Å; D71-V75 PolarHBondContact O-N 3.06Å; D71-V75 VanDerWaalsContact O-N 3.08Å; F72-V75 PolarHBondContact O-N 2.73Å; I73-V75 VanDerWaalsContact C-N 3.33Å; I73-V75 PolarHBondContact O-N 3.37Å; V75-L79 VanDerWaalsContact O-CB 3.29Å; V75-L79 WeakPolarHBondContact O-CB 3.44Å; V75-L79 PolarHBondContact O-N 2.19Å |
| 76 | V | 85.1 | Confident | 79.8 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | -179.8 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | F72 I73 L79 L80 | F72-V76 HydrophobicContact CD1-CG2 4.15Å; F72-V76 HydrophobicContact CD2-CG2 4.24Å; F72-V76 HydrophobicContact CE1-CG2 3.84Å; F72-V76 HydrophobicContact CE2-CG2 3.94Å; F72-V76 HydrophobicContact CG-CG2 4.34Å; F72-V76 HydrophobicContact CZ-CG2 3.73Å; F72-V76 WeakPolarHBondContact O-CB 2.23Å; F72-V76 VanDerWaalsContact O-CG2 3.28Å; F72-V76 WeakPolarHBondContact O-CG2 3.39Å; F72-V76 PolarHBondContact O-N 3.43Å; I73-V76 PolarHBondContact O-N 3.44Å; V76-L79 PolarHBondContact O-N 2.17Å; V76-L80 VanDerWaalsContact O-CB 3.29Å; V76-L80 WeakPolarHBondContact O-CB 2.92Å; V76-L80 PolarHBondContact O-N 3.41Å |
| 77 | T | 79.5 | Confident | 78.8 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | I73 V74 L80 A81 L95 | I73-T77 HydrophobicContact CG2-CG2 4.14Å; I73-T77 WeakPolarHBondContact O-CG2 2.59Å; I73-T77 PolarHBondContact O-N 3.29Å; I73-T77 PolarHBondContact O-OG1 3.21Å; V74-T77 PolarHBondContact O-OG1 2.18Å; T77-L80 PolarHBondContact O-N 2.75Å; T77-A81 WeakPolarHBondContact O-CB 3.11Å; T77-A81 PolarHBondContact O-N 2.83Å; T77-L95 HydrophobicContact CG2-CD1 3.81Å |
| 78 | G | 79.5 | Confident | 77.9 | Confident | 6 Ų | 6 | 64 Ų | 64 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 V74 Y82 | L39-G78 WeakPolarHBondContact CD2-O 3.31Å; V74-G78 PolarHBondContact O-N 3Å; G78-Y82 PolarHBondContact O-N 2.18Å; G78-Y82 VanDerWaalsContact O-N 3.16Å |
| 79 | L | 82.8 | Confident | 76.9 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 175.1 | -173 | 66.1 | 0 | 0 | 0 | 112 | V75 V76 Y82 I83 | V75-L79 VanDerWaalsContact O-CB 3.29Å; V75-L79 WeakPolarHBondContact O-CB 3.44Å; V75-L79 PolarHBondContact O-N 2.19Å; V76-L79 PolarHBondContact O-N 2.17Å; L79-Y82 PolarHBondContact O-N 3.33Å; L79-I83 HydrophobicContact CD1-CD1 4.1Å; L79-I83 HydrophobicContact CD2-CD1 4.49Å; L79-I83 HydrophobicContact CG-CD1 3.86Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.14Å |
| 80 | L | 80.4 | Confident | 76 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.3 | -166 | 78.2 | 0 | 0 | 0 | 111.1 | V76 T77 Y82 I83 L84 L87 | V76-L80 VanDerWaalsContact O-CB 3.29Å; V76-L80 WeakPolarHBondContact O-CB 2.92Å; V76-L80 PolarHBondContact O-N 3.41Å; T77-L80 PolarHBondContact O-N 2.75Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 2.5Å; L80-I83 PolarHBondContact O-N 2.77Å; L80-L84 HydrophobicContact CD1-CD1 3.65Å; L80-L84 HydrophobicContact CG-CD1 4.2Å; L80-L84 WeakPolarHBondContact O-CB 3.12Å; L80-L84 PolarHBondContact O-N 2.86Å; L80-L87 HydrophobicContact CD2-CD1 4.46Å |
| 81 | A | 76.7 | Confident | 75.4 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T77 V92 | T77-A81 WeakPolarHBondContact O-CB 3.11Å; T77-A81 PolarHBondContact O-N 2.83Å; A81-V92 HydrophobicContact CB-CG1 3.87Å |
| 82 | Y | 78.6 | Confident | 74.9 | Confident | 158 Ų | 158 | 69.8 Ų | 69.8 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.4 | -33.6 | 176.6 | -175.8 | -91.1 | 0 | 0 | 0 | 113 | G78 L79 L80 | G78-Y82 PolarHBondContact O-N 2.18Å; G78-Y82 VanDerWaalsContact O-N 3.16Å; L79-Y82 PolarHBondContact O-N 3.33Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 2.5Å |
| 83 | I | 83.1 | Confident | 74.2 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 56% | 0.559 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -87.7 | -32.2 | -178.9 | -64.7 | 170.3 | 0 | 0 | 0 | 112.3 | L79 L80 P85 | L79-I83 HydrophobicContact CD1-CD1 4.1Å; L79-I83 HydrophobicContact CD2-CD1 4.49Å; L79-I83 HydrophobicContact CG-CD1 3.86Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.14Å; L80-I83 PolarHBondContact O-N 2.77Å; I83-P85 WeakPolarHBondContact O-CD 3.36Å |
| 84 | L | 78.7 | Confident | 73.7 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | trans | -124.4 | 73.9 | -173.1 | -76.3 | 151 | 0 | 0 | 0 | 111.2 | L80 N86 L87 | L80-L84 HydrophobicContact CD1-CD1 3.65Å; L80-L84 HydrophobicContact CG-CD1 4.2Å; L80-L84 WeakPolarHBondContact O-CB 3.12Å; L80-L84 PolarHBondContact O-N 2.86Å; L84-N86 PolarHBondContact O-N 2.59Å; L84-L87 HydrophobicContact CB-CD1 3.85Å; L84-L87 HydrophobicContact CB-CG 4.15Å; L84-L87 HydrophobicContact CD1-CD1 3.95Å; L84-L87 HydrophobicContact CG-CD1 4.32Å; L84-L87 PolarHBondContact O-N 3.27Å | ||
| 85 | P | 67.2 | Low | 73.4 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.3 | 179.1 | 26.8 | -35.7 | 0 | 0 | 0 | 114.2 | I83 Q89 | I83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-Q89 VanDerWaalsContact O-CG 3.28Å; P85-Q89 WeakPolarHBondContact O-CG 3.5Å; P85-Q89 PolarHBondContact O-NE2 3.48Å |
| 86 | N | 68.4 | Low | 73 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 80% | 0.797 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.8 | -175.7 | -62.3 | 5.5 | 0 | 0 | 0 | 113.9 | L84 | L84-N86 PolarHBondContact O-N 2.59Š|
| 87 | L | 59.9 | Low | 72.6 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -91.2 | 110.9 | 177.3 | -70.4 | 176.9 | 0 | 0 | 0 | 110.7 | L80 L84 Q89 | L80-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 HydrophobicContact CB-CD1 3.85Å; L84-L87 HydrophobicContact CB-CG 4.15Å; L84-L87 HydrophobicContact CD1-CD1 3.95Å; L84-L87 HydrophobicContact CG-CD1 4.32Å; L84-L87 PolarHBondContact O-N 3.27Å; L87-Q89 WeakPolarHBondContact O-CA 3.07Å; L87-Q89 PolarHBondContact O-N 2.98Å |
| 88 | N | 59.9 | Low | 72.4 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | trans | 13.9 | 72.4 | 173 | -68.6 | 24.7 | 0 | 0 | 0 | 114.4 | A91 V92 | N88-A91 HydrophobicContact CB-CB 4.44Å; N88-A91 PolarHBondContact O-N 3.31Å; N88-A91 VanDerWaalsContact O-N 3.1Å; N88-V92 PolarHBondContact O-N 2.84Å | ||
| 89 | Q | 63.3 | Low | 72.2 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -51.8 | -46.4 | -163.7 | -69.7 | -164.9 | 20.3 | 0 | 0 | 114.5 | P85 L87 A91 V92 R93 | P85-Q89 VanDerWaalsContact O-CG 3.28Å; P85-Q89 WeakPolarHBondContact O-CG 3.5Å; P85-Q89 PolarHBondContact O-NE2 3.48Å; L87-Q89 WeakPolarHBondContact O-CA 3.07Å; L87-Q89 PolarHBondContact O-N 2.98Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.05Å; Q89-V92 PolarHBondContact O-N 2.86Å; Q89-R93 WeakPolarHBondContact O-CB 3.45Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.99Å |
| 90 | P | 64.9 | Low | 71.9 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | -179.1 | -25.2 | 35.3 | 0 | 0 | 0 | 112.8 | V92 R93 A94 | P90-V92 VanDerWaalsContact C-N 3.34Å; P90-V92 PolarHBondContact O-N 3.27Å; P90-R93 PolarHBondContact O-N 3.21Å; P90-A94 VanDerWaalsContact O-CB 3.29Å; P90-A94 WeakPolarHBondContact O-CB 3.19Å; P90-A94 PolarHBondContact O-N 3.17Å |
| 91 | A | 66 | Low | 71.7 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 49% | 0.488 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -33.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | N88 Q89 | N88-A91 HydrophobicContact CB-CB 4.44Å; N88-A91 PolarHBondContact O-N 3.31Å; N88-A91 VanDerWaalsContact O-N 3.1Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.05Å |
| 92 | V | 68 | Low | 71.6 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -81.7 | -33.8 | 176.9 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | A81 N88 Q89 P90 L95 | A81-V92 HydrophobicContact CB-CG1 3.87Å; N88-V92 PolarHBondContact O-N 2.84Å; Q89-V92 PolarHBondContact O-N 2.86Å; P90-V92 VanDerWaalsContact C-N 3.34Å; P90-V92 PolarHBondContact O-N 3.27Å; V92-L95 PolarHBondContact O-N 3.5Å |
| 93 | R | 69.3 | Low | 71.5 | Confident | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 171.5 | -69.5 | 170.6 | 179.3 | -94.4 | -2.8 | 110.9 | E32 Q89 P90 L95 R96 | E32-R93 IonicContact OE1-CZ 2.74Å; E32-R93 IonicContact OE1-NH1 3.38Å; E32-R93 PolarHBondContact OE1-NH1 3.44Å; E32-R93 IonicContact OE1-NH2 3.77Å; E32-R93 PolarHBondContact OE1-NH2 2.95Å; Q89-R93 WeakPolarHBondContact O-CB 3.45Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.99Å; P90-R93 PolarHBondContact O-N 3.21Å; R93-L95 PolarHBondContact O-N 3.29Å; R93-L95 VanDerWaalsContact O-N 3.09Å; R93-R96 WeakPolarHBondContact O-CB 3.22Å; R93-R96 WeakPolarHBondContact O-CD 3.45Å; R93-R96 WeakPolarHBondContact O-CG 3.28Å; R93-R96 PolarHBondContact O-N 2.86Å |
| 94 | A | 73.4 | Confident | 71.1 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.6 | -31.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P90 R96 V97 L549 Q552 | P90-A94 VanDerWaalsContact O-CB 3.29Å; P90-A94 WeakPolarHBondContact O-CB 3.19Å; P90-A94 PolarHBondContact O-N 3.17Å; A94-R96 PolarHBondContact O-N 3.18Å; A94-R96 VanDerWaalsContact O-N 3.12Å; A94-V97 VanDerWaalsContact O-CB 3.24Å; A94-V97 WeakPolarHBondContact O-CB 3.47Å; A94-V97 WeakPolarHBondContact O-CG2 3.36Å; A94-V97 PolarHBondContact O-N 3.42Å; A94-L549 HydrophobicContact CB-CD1 3.86Å; A94-Q552 HydrophobicContact CB-CB 4.38Å |
| 95 | L | 71.8 | Confident | 70.9 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -63.9 | -17.1 | 176.1 | -65.7 | 173.1 | 0 | 0 | 0 | 113.7 | T77 V92 R93 V97 L98 | T77-L95 HydrophobicContact CG2-CD1 3.81Å; V92-L95 PolarHBondContact O-N 3.5Å; R93-L95 PolarHBondContact O-N 3.29Å; R93-L95 VanDerWaalsContact O-N 3.09Å; L95-V97 PolarHBondContact O-N 3.28Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 3.47Å |
| 96 | R | 75.6 | Confident | 71.1 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66.2 | -26 | 172 | -58 | 162.2 | 178 | -174.4 | -15.6 | 111.7 | E35 R93 A94 L98 R99 | E35-R96 WeakPolarHBondContact OE1-CD 3.44Å; E35-R96 IonicContact OE1-CZ 3.62Å; E35-R96 IonicContact OE1-NE 3.44Å; E35-R96 IonicContact OE1-NH1 3.15Å; E35-R96 IonicContact OE2-CZ 2.77Å; E35-R96 IonicContact OE2-NE 3.21Å; E35-R96 IonicContact OE2-NH1 3.46Å; E35-R96 PolarHBondContact OE2-NH1 3.05Å; E35-R96 IonicContact OE2-NH2 2.65Å; E35-R96 PolarHBondContact OE2-NH2 3.37Å; E35-R96 VanDerWaalsContact OE2-NH2 3.11Å; R93-R96 WeakPolarHBondContact O-CB 3.22Å; R93-R96 WeakPolarHBondContact O-CD 3.45Å; R93-R96 WeakPolarHBondContact O-CG 3.28Å; R93-R96 PolarHBondContact O-N 2.86Å; A94-R96 PolarHBondContact O-N 3.18Å; A94-R96 VanDerWaalsContact O-N 3.12Å; R96-L98 PolarHBondContact O-N 2.99Å; R96-L98 VanDerWaalsContact O-N 3.11Å; R96-R99 VanDerWaalsContact O-CB 3.25Å; R96-R99 WeakPolarHBondContact O-CB 3.5Å; R96-R99 WeakPolarHBondContact O-CD 3.39Å; R96-R99 WeakPolarHBondContact O-CG 3.42Å; R96-R99 PolarHBondContact O-N 3.33Å |
| 97 | V | 77.4 | Confident | 71.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -67.9 | -6.8 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | A94 L95 R99 P100 I545 L548 L549 Q552 | A94-V97 VanDerWaalsContact O-CB 3.24Å; A94-V97 WeakPolarHBondContact O-CB 3.47Å; A94-V97 WeakPolarHBondContact O-CG2 3.36Å; A94-V97 PolarHBondContact O-N 3.42Å; L95-V97 PolarHBondContact O-N 3.28Å; V97-R99 VanDerWaalsContact C-N 3.32Å; V97-P100 WeakPolarHBondContact O-CD 3.29Å; V97-I545 HydrophobicContact CG1-CG2 4.36Å; V97-I545 WeakPolarHBondContact CG1-O 3.28Å; V97-L548 HydrophobicContact CG1-CB 3.59Å; V97-L548 HydrophobicContact CG2-CB 4.17Å; V97-L549 HydrophobicContact CG1-CB 4.11Å; V97-Q552 HydrophobicContact CG2-CG 3.99Å |
| 98 | L | 76.3 | Confident | 71.8 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -78.3 | -11.7 | 168.3 | -59.2 | 177.2 | 0 | 0 | 0 | 113.5 | V74 L95 R96 P100 L101 | V74-L98 HydrophobicContact CG2-CB 4.34Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 3.47Å; R96-L98 PolarHBondContact O-N 2.99Å; R96-L98 VanDerWaalsContact O-N 3.11Å; L98-P100 VanDerWaalsContact C-CD 3.43Å; L98-L101 VanDerWaalsContact O-CB 3.3Å; L98-L101 WeakPolarHBondContact O-CB 3.5Å; L98-L101 PolarHBondContact O-N 3.39Å |
| 99 | R | 75.1 | Confident | 72 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -57.3 | -41 | 178.2 | -70.8 | 169.6 | -174.2 | 161.8 | 1.5 | 114.9 | N9 E35 F42 V74 R96 V97 L101 K102 | N9-R99 PolarHBondContact ND2-NH1 3.13Å; N9-R99 VanDerWaalsContact ND2-NH1 3.19Å; N9-R99 WeakPolarHBondContact OD1-CD 3.43Å; N9-R99 PolarHBondContact OD1-NH1 3.39Å; E35-R99 IonicContact OE1-CZ 3.29Å; E35-R99 IonicContact OE1-NH1 2.72Å; E35-R99 PolarHBondContact OE1-NH1 2.98Å; E35-R99 IonicContact OE1-NH2 3.57Å; E35-R99 PolarHBondContact OE1-NH2 3.41Å; E35-R99 VanDerWaalsContact OE1-NH2 3.11Å; F42-R99 HydrophobicContact CE2-CG 4.5Å; V74-R99 HydrophobicContact CG1-CG 3.68Å; R96-R99 VanDerWaalsContact O-CB 3.25Å; R96-R99 WeakPolarHBondContact O-CB 3.5Å; R96-R99 WeakPolarHBondContact O-CD 3.39Å; R96-R99 WeakPolarHBondContact O-CG 3.42Å; R96-R99 PolarHBondContact O-N 3.33Å; V97-R99 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 3.09Å; R99-K102 WeakPolarHBondContact O-CB 3.09Å; R99-K102 PolarHBondContact O-N 3.11Å |
| 100 | P | 75.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -61.8 | -25.8 | 177.2 | -16.8 | 29.8 | 0 | 0 | 0 | 113.3 | V97 L98 K102 L103 L541 L544 I545 L548 | V97-P100 WeakPolarHBondContact O-CD 3.29Å; L98-P100 VanDerWaalsContact C-CD 3.43Å; P100-K102 PolarHBondContact O-N 3.17Å; P100-K102 VanDerWaalsContact O-N 3.13Å; P100-L103 WeakPolarHBondContact O-CB 3.39Å; P100-L103 WeakPolarHBondContact O-CG 3.15Å; P100-L103 PolarHBondContact O-N 3.12Å; P100-L541 HydrophobicContact CB-CD1 4.01Å; P100-L544 HydrophobicContact CB-CD2 3.81Å; P100-L544 HydrophobicContact CG-CD2 3.8Å; P100-I545 HydrophobicContact CB-CG1 4.09Å; P100-I545 HydrophobicContact CG-CG1 4.28Å; P100-L548 HydrophobicContact CG-CD1 4.46Å |
| 101 | L | 76 | Confident | 72.7 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -63 | -21.5 | 178.6 | -169.7 | 56.7 | 0 | 0 | 0 | 112.3 | W67 M70 L98 R99 L103 V104 I545 | W67-L101 HydrophobicContact CZ3-CG 4.43Å; M70-L101 HydrophobicContact CE-CD2 3.43Å; M70-L101 VanDerWaalsContact CE-CD2 3.43Å; M70-L101 HydrophobicContact CE-CG 3.85Å; M70-L101 HydrophobicContact SD-CB 4.1Å; M70-L101 HydrophobicContact SD-CD2 3.86Å; M70-L101 HydrophobicContact SD-CG 3.9Å; L98-L101 VanDerWaalsContact O-CB 3.3Å; L98-L101 WeakPolarHBondContact O-CB 3.5Å; L98-L101 PolarHBondContact O-N 3.39Å; R99-L101 PolarHBondContact O-N 3.09Å; L101-L103 PolarHBondContact O-N 2.71Å; L101-V104 HydrophobicContact CD1-CG2 3.98Å; L101-V104 WeakPolarHBondContact O-CB 3.32Å; L101-V104 PolarHBondContact O-N 3.35Å; L101-I545 HydrophobicContact CB-CD1 4.28Å; L101-I545 HydrophobicContact CD1-CD1 4.41Å |
| 102 | K | 74.9 | Confident | 72.8 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -59.1 | -24.3 | 168.6 | -69.9 | -173.8 | 170.3 | -171.3 | 0 | 113 | I6 F42 E45 D71 R99 P100 V104 T105 | I6-K102 HydrophobicContact CD1-CB 3.46Å; I6-K102 VanDerWaalsContact CD1-CB 3.46Å; I6-K102 HydrophobicContact CD1-CD 3.9Å; I6-K102 HydrophobicContact CD1-CG 4.34Å; I6-K102 HydrophobicContact CG1-CB 4.11Å; I6-K102 HydrophobicContact CG1-CD 4.04Å; I6-K102 HydrophobicContact CG2-CB 4.42Å; F42-K102 VanDerWaalsContact CD1-NZ 3.27Å; E45-K102 IonicContact OE2-NZ 3.16Å; D71-K102 WeakPolarHBondContact OD1-CE 3.35Å; D71-K102 IonicContact OD1-NZ 2.65Å; D71-K102 PolarHBondContact OD1-NZ 3.05Å; R99-K102 WeakPolarHBondContact O-CB 3.09Å; R99-K102 PolarHBondContact O-N 3.11Å; P100-K102 PolarHBondContact O-N 3.17Å; P100-K102 VanDerWaalsContact O-N 3.13Å; K102-V104 PolarHBondContact O-N 2.76Å; K102-T105 WeakPolarHBondContact O-CB 3.34Å; K102-T105 PolarHBondContact O-N 2.79Å; K102-T105 PolarHBondContact O-OG1 2.65Å |
| 103 | L | 76.8 | Confident | 72.7 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -33.6 | 176.6 | -63.8 | 175.6 | 0 | 0 | 0 | 111.9 | L3 I6 L7 P100 L101 T105 G106 F107 L541 | L3-L103 HydrophobicContact CD1-CD2 3.65Å; L3-L103 HydrophobicContact CG-CD2 4.4Å; I6-L103 HydrophobicContact CB-CD2 4.23Å; I6-L103 HydrophobicContact CG2-CD2 3.68Å; I6-L103 HydrophobicContact CG2-CG 3.9Å; L7-L103 HydrophobicContact CD2-CD1 4.09Å; L7-L103 HydrophobicContact CD2-CD2 3.9Å; L7-L103 HydrophobicContact CG-CD2 3.99Å; P100-L103 WeakPolarHBondContact O-CB 3.39Å; P100-L103 WeakPolarHBondContact O-CG 3.15Å; P100-L103 PolarHBondContact O-N 3.12Å; L101-L103 PolarHBondContact O-N 2.71Å; L103-T105 PolarHBondContact O-N 2.72Å; L103-G106 PolarHBondContact O-N 3.13Å; L103-F107 WeakPolarHBondContact O-CD2 3.36Å; L103-L541 HydrophobicContact CD1-CD1 4.02Å |
| 104 | V | 75.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -29.4 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | W67 L101 K102 G106 L110 Q111 L114 L541 | W67-V104 HydrophobicContact CH2-CB 3.94Å; W67-V104 HydrophobicContact CH2-CG1 3.68Å; W67-V104 HydrophobicContact CZ2-CG1 4.13Å; W67-V104 HydrophobicContact CZ3-CB 4.32Å; L101-V104 HydrophobicContact CD1-CG2 3.98Å; L101-V104 WeakPolarHBondContact O-CB 3.32Å; L101-V104 PolarHBondContact O-N 3.35Å; K102-V104 PolarHBondContact O-N 2.76Å; V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.84Å; V104-L110 HydrophobicContact CG1-CB 4.02Å; V104-Q111 HydrophobicContact CG1-CG 4.44Å; V104-Q111 VanDerWaalsContact O-CG 3.27Å; V104-Q111 WeakPolarHBondContact O-CG 3.04Å; V104-L114 HydrophobicContact CG1-CD2 3.97Å; V104-L541 HydrophobicContact CG2-CD2 3.57Å |
| 105 | T | 74.2 | Confident | 72.9 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 36% | 0.356 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -30 | 176.4 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | W67 K102 L103 Q111 | W67-T105 HydrophobicContact CB-CG2 3.92Å; W67-T105 HydrophobicContact CD2-CG2 3.55Å; W67-T105 HydrophobicContact CE3-CG2 3.41Å; W67-T105 VanDerWaalsContact CE3-CG2 3.41Å; W67-T105 HydrophobicContact CG-CG2 3.78Å; W67-T105 HydrophobicContact CZ3-CG2 4.07Å; K102-T105 WeakPolarHBondContact O-CB 3.34Å; K102-T105 PolarHBondContact O-N 2.79Å; K102-T105 PolarHBondContact O-OG1 2.65Å; L103-T105 PolarHBondContact O-N 2.72Å; T105-Q111 PolarHBondContact O-NE2 3.17Å; T105-Q111 VanDerWaalsContact O-NE2 3.11Å |
| 106 | G | 71.3 | Confident | 72.9 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 49% | 0.485 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -79.9 | -19.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L103 V104 | L103-G106 PolarHBondContact O-N 3.13Å; V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.84Å |
| 107 | F | 72.6 | Confident | 72.9 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | trans | -116.6 | 107.8 | -177.8 | -63.7 | -74.3 | 0 | 0 | 0 | 111.4 | L103 S109 L110 Q111 F537 | L103-F107 WeakPolarHBondContact O-CD2 3.36Å; F107-S109 PolarHBondContact O-N 3.04Å; F107-L110 HydrophobicContact CB-CB 4.18Å; F107-L110 HydrophobicContact CB-CD1 3.78Å; F107-L110 HydrophobicContact CB-CG 3.77Å; F107-L110 HydrophobicContact CD2-CD1 3.79Å; F107-L110 HydrophobicContact CG-CD1 4.11Å; F107-L110 PolarHBondContact O-N 2.84Å; F107-L110 VanDerWaalsContact O-N 3.12Å; F107-Q111 PolarHBondContact O-N 3.27Å; F107-Q111 VanDerWaalsContact O-N 3.17Å; F107-F537 HydrophobicContact CD2-CE1 4.45Å; F107-F537 HydrophobicContact CE2-CE1 4.32Å; F107-F537 HydrophobicContact CE2-CZ 4.25Å | ||
| 108 | E | 69.7 | Low | 73 | Confident | 160 Ų | 160 | 49 Ų | 49 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.5 | -32.3 | -179.9 | -63.1 | -170.6 | 157 | 0 | 0 | 113.2 | Q111 I112 | E108-Q111 PolarHBondContact O-N 3.48Å; E108-I112 WeakPolarHBondContact O-CG1 3.24Å; E108-I112 PolarHBondContact O-N 3.23Å; E108-I112 VanDerWaalsContact O-N 3.09Å |
| 109 | S | 64.6 | Low | 72.9 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | F107 Q111 I112 V113 | F107-S109 PolarHBondContact O-N 3.04Å; S109-Q111 VanDerWaalsContact C-N 3.28Å; S109-Q111 PolarHBondContact O-N 2.85Å; S109-I112 WeakPolarHBondContact O-CB 3.38Å; S109-I112 PolarHBondContact O-N 3.32Å; S109-V113 WeakPolarHBondContact O-CG2 3.19Å; S109-V113 PolarHBondContact O-N 2.89Å |
| 110 | L | 68.6 | Low | 72.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 178 | -57.7 | -179.2 | 0 | 0 | 0 | 111.3 | V104 F107 I112 V113 L114 F537 L538 | V104-L110 HydrophobicContact CG1-CB 4.02Å; F107-L110 HydrophobicContact CB-CB 4.18Å; F107-L110 HydrophobicContact CB-CD1 3.78Å; F107-L110 HydrophobicContact CB-CG 3.77Å; F107-L110 HydrophobicContact CD2-CD1 3.79Å; F107-L110 HydrophobicContact CG-CD1 4.11Å; F107-L110 PolarHBondContact O-N 2.84Å; F107-L110 VanDerWaalsContact O-N 3.12Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.03Å; L110-V113 PolarHBondContact O-N 3.29Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 2.78Å; L110-F537 HydrophobicContact CD1-CD1 3.59Å; L110-F537 HydrophobicContact CD1-CE1 3.6Å; L110-F537 HydrophobicContact CD2-CD1 4.12Å; L110-F537 HydrophobicContact CG-CD1 4.45Å; L110-L538 HydrophobicContact CD2-CB 4.43Å; L110-L538 HydrophobicContact CD2-CD1 4.43Å |
| 111 | Q | 73.4 | Confident | 73.1 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 172.4 | -63.9 | -165.7 | 29.1 | 0 | 0 | 113.2 | V104 T105 F107 E108 S109 K115 | V104-Q111 HydrophobicContact CG1-CG 4.44Å; V104-Q111 VanDerWaalsContact O-CG 3.27Å; V104-Q111 WeakPolarHBondContact O-CG 3.04Å; T105-Q111 PolarHBondContact O-NE2 3.17Å; T105-Q111 VanDerWaalsContact O-NE2 3.11Å; F107-Q111 PolarHBondContact O-N 3.27Å; F107-Q111 VanDerWaalsContact O-N 3.17Å; E108-Q111 PolarHBondContact O-N 3.48Å; S109-Q111 VanDerWaalsContact C-N 3.28Å; S109-Q111 PolarHBondContact O-N 2.85Å; Q111-K115 WeakPolarHBondContact O-CB 3.15Å; Q111-K115 WeakPolarHBondContact O-CD 3.08Å; Q111-K115 WeakPolarHBondContact O-CE 3.47Å; Q111-K115 WeakPolarHBondContact O-CG 3.09Å; Q111-K115 PolarHBondContact O-N 2.83Å |
| 112 | I | 68.2 | Low | 73.2 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71 | -49.1 | 176.8 | -67.9 | 163.4 | 0 | 0 | 0 | 109.5 | E108 S109 L110 L114 K115 S116 | E108-I112 WeakPolarHBondContact O-CG1 3.24Å; E108-I112 PolarHBondContact O-N 3.23Å; E108-I112 VanDerWaalsContact O-N 3.09Å; S109-I112 WeakPolarHBondContact O-CB 3.38Å; S109-I112 PolarHBondContact O-N 3.32Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.03Å; I112-L114 PolarHBondContact O-N 3.46Å; I112-K115 PolarHBondContact O-N 3.08Å; I112-K115 VanDerWaalsContact O-N 3.13Å; I112-S116 PolarHBondContact O-N 3.35Å; I112-S116 PolarHBondContact O-OG 2.75Å |
| 113 | V | 66.9 | Low | 73.1 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | S109 L110 K115 S116 I117 L535 L538 | S109-V113 WeakPolarHBondContact O-CG2 3.19Å; S109-V113 PolarHBondContact O-N 2.89Å; L110-V113 PolarHBondContact O-N 3.29Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.48Å; V113-S116 WeakPolarHBondContact CA-OG 3.26Å; V113-S116 PolarHBondContact O-N 2.88Å; V113-S116 PolarHBondContact O-OG 3.14Å; V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 HydrophobicContact CG1-CG1 4.49Å; V113-I117 WeakPolarHBondContact O-CG1 3.4Å; V113-I117 PolarHBondContact O-N 2.76Å; V113-L535 HydrophobicContact CG1-CD2 3.74Å; V113-L535 HydrophobicContact CG2-CD2 4.11Å; V113-L538 HydrophobicContact CG1-CD2 3.84Å |
| 114 | L | 73 | Confident | 73.2 | Confident | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 177 | -177 | 61.3 | 0 | 0 | 0 | 111.9 | W67 V104 L110 I112 I117 I118 | W67-L114 HydrophobicContact CH2-CD2 3.75Å; W67-L114 HydrophobicContact CZ2-CD2 4.14Å; V104-L114 HydrophobicContact CG1-CD2 3.97Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 2.78Å; I112-L114 PolarHBondContact O-N 3.46Å; L114-I117 PolarHBondContact O-N 2.68Å; L114-I118 HydrophobicContact CD1-CD1 3.97Å; L114-I118 HydrophobicContact CD1-CG1 4.19Å; L114-I118 HydrophobicContact CD2-CD1 4.48Å; L114-I118 HydrophobicContact CG-CD1 3.82Å; L114-I118 HydrophobicContact CG-CG1 4.44Å; L114-I118 WeakPolarHBondContact O-CB 3.45Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.27Å |
| 115 | K | 73.8 | Confident | 73.3 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -32.6 | 175 | -74.3 | 163.7 | -160.4 | 159.8 | 0 | 112.5 | Q111 I112 V113 R119 | Q111-K115 WeakPolarHBondContact O-CB 3.15Å; Q111-K115 WeakPolarHBondContact O-CD 3.08Å; Q111-K115 WeakPolarHBondContact O-CE 3.47Å; Q111-K115 WeakPolarHBondContact O-CG 3.09Å; Q111-K115 PolarHBondContact O-N 2.83Å; I112-K115 PolarHBondContact O-N 3.08Å; I112-K115 VanDerWaalsContact O-N 3.13Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.48Å; K115-R119 WeakPolarHBondContact O-CD 3.4Å; K115-R119 VanDerWaalsContact O-CG 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.31Å; K115-R119 PolarHBondContact O-N 2.88Å |
| 116 | S | 71.8 | Confident | 73.4 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 170.4 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | I112 V113 I118 R119 A120 | I112-S116 PolarHBondContact O-N 3.35Å; I112-S116 PolarHBondContact O-OG 2.75Å; V113-S116 WeakPolarHBondContact CA-OG 3.26Å; V113-S116 PolarHBondContact O-N 2.88Å; V113-S116 PolarHBondContact O-OG 3.14Å; S116-I118 PolarHBondContact O-N 3.4Å; S116-R119 WeakPolarHBondContact O-CB 3.49Å; S116-R119 PolarHBondContact O-N 3.3Å; S116-R119 VanDerWaalsContact O-N 3.12Å; S116-A120 PolarHBondContact O-N 2.78Å |
| 117 | I | 75 | Confident | 73.8 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.7 | -68.4 | 169.9 | 0 | 0 | 0 | 111.4 | V113 L114 R119 A120 M121 L538 Y622 N626 | V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 HydrophobicContact CG1-CG1 4.49Å; V113-I117 WeakPolarHBondContact O-CG1 3.4Å; V113-I117 PolarHBondContact O-N 2.76Å; L114-I117 PolarHBondContact O-N 2.68Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3Å; I117-A120 PolarHBondContact O-N 3.39Å; I117-M121 PolarHBondContact O-N 2.96Å; I117-L538 HydrophobicContact CD1-CD2 3.6Å; I117-Y622 HydrophobicContact CG2-CD1 4.43Å; I117-Y622 HydrophobicContact CG2-CE1 3.59Å; I117-Y622 PolarHBondContact O-OH 3.45Å; I117-N626 HydrophobicContact CD1-CB 4.31Å; I117-N626 HydrophobicContact CG1-CB 4.04Å |
| 118 | I | 80 | Confident | 74.2 | Confident | 99 Ų | 99 | 63 Ų | 63 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -30.7 | 176.8 | -69.4 | 169.7 | 0 | 0 | 0 | 111.9 | L114 S116 | L114-I118 HydrophobicContact CD1-CD1 3.97Å; L114-I118 HydrophobicContact CD1-CG1 4.19Å; L114-I118 HydrophobicContact CD2-CD1 4.48Å; L114-I118 HydrophobicContact CG-CD1 3.82Å; L114-I118 HydrophobicContact CG-CG1 4.44Å; L114-I118 WeakPolarHBondContact O-CB 3.45Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.27Å; S116-I118 PolarHBondContact O-N 3.4Å |
| 119 | R | 74.8 | Confident | 74.7 | Confident | 156 Ų | 156 | 59.5 Ų | 59.5 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70 | -46.2 | 174.2 | -78.3 | 170.9 | 174.8 | -172.4 | -4.3 | 112.1 | K115 S116 I117 M121 A122 E281 | K115-R119 WeakPolarHBondContact O-CD 3.4Å; K115-R119 VanDerWaalsContact O-CG 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.31Å; K115-R119 PolarHBondContact O-N 2.88Å; S116-R119 WeakPolarHBondContact O-CB 3.49Å; S116-R119 PolarHBondContact O-N 3.3Å; S116-R119 VanDerWaalsContact O-N 3.12Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3Å; R119-M121 PolarHBondContact O-N 2.82Å; R119-A122 WeakPolarHBondContact O-CB 3.25Å; R119-A122 PolarHBondContact O-N 3.5Å; R119-E281 IonicContact CZ-OE1 3.76Å; R119-E281 IonicContact NH1-OE1 3.7Å; R119-E281 PolarHBondContact NH1-OE1 3.46Å |
| 120 | A | 74.3 | Confident | 75.4 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -27.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S116 I117 A122 P123 L274 | S116-A120 PolarHBondContact O-N 2.78Å; I117-A120 PolarHBondContact O-N 3.39Å; A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 3.38Å; A120-P123 WeakPolarHBondContact O-CD 3.47Å; A120-L274 HydrophobicContact CB-CD2 3.71Å |
| 121 | M | 80.3 | Confident | 76.1 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 39% | 0.394 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -24.5 | 177.1 | -158.6 | -176.8 | 78.4 | 0 | 0 | 113.7 | I117 R119 L124 L125 Y622 | I117-M121 PolarHBondContact O-N 2.96Å; R119-M121 PolarHBondContact O-N 2.82Å; M121-L124 PolarHBondContact O-N 3.37Å; M121-L125 PolarHBondContact O-N 2.94Å; M121-Y622 WeakPolarHBondContact CA-OH 3.41Å; M121-Y622 HydrophobicContact CB-CE1 4.47Å; M121-Y622 WeakPolarHBondContact CB-OH 3.17Å; M121-Y622 HydrophobicContact CG-CE1 4.36Å; M121-Y622 PolarHBondContact N-OH 2.93Å; M121-Y622 VanDerWaalsContact N-OH 3.13Å |
| 122 | A | 78.9 | Confident | 76.6 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -52.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R119 A120 L124 L125 | R119-A122 WeakPolarHBondContact O-CB 3.25Å; R119-A122 PolarHBondContact O-N 3.5Å; A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 3.38Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L125 WeakPolarHBondContact O-CB 3.24Å; A122-L125 PolarHBondContact O-N 3.42Å |
| 123 | P | 72.5 | Confident | 77.3 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -32.5 | 172 | 24.9 | -32.5 | 0 | 0 | 0 | 112.4 | A120 L125 Q126 V273 E277 | A120-P123 WeakPolarHBondContact O-CD 3.47Å; P123-L125 PolarHBondContact O-N 2.98Å; P123-Q126 WeakPolarHBondContact O-CB 3.33Å; P123-Q126 PolarHBondContact O-N 3.38Å; P123-Q126 VanDerWaalsContact O-N 3.07Å; P123-V273 HydrophobicContact CB-CG1 3.91Å; P123-V273 HydrophobicContact CG-CG1 3.86Å; P123-E277 HydrophobicContact CG-CG 3.87Å |
| 124 | L | 77.5 | Confident | 78.1 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -26.5 | 175 | -75.9 | -178.5 | 0 | 0 | 0 | 114.1 | M121 A122 Q126 I127 S128 V270 V273 L274 Y622 | M121-L124 PolarHBondContact O-N 3.37Å; A122-L124 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.96Å; L124-I127 HydrophobicContact CD2-CD1 3.98Å; L124-I127 CarbonylContact O-C 3.24Å; L124-I127 PolarHBondContact O-N 3.17Å; L124-I127 VanDerWaalsContact O-N 3.08Å; L124-S128 WeakPolarHBondContact O-CB 3.49Å; L124-S128 PolarHBondContact O-N 3.2Å; L124-V270 HydrophobicContact CD1-CG1 4.44Å; L124-V270 HydrophobicContact CD2-CB 4.11Å; L124-V270 HydrophobicContact CD2-CG1 3.82Å; L124-V270 HydrophobicContact CD2-CG2 4.35Å; L124-V273 HydrophobicContact CD2-CB 4.17Å; L124-V273 HydrophobicContact CD2-CG1 3.79Å; L124-V273 HydrophobicContact CG-CG1 4.08Å; L124-L274 HydrophobicContact CD1-CD1 4.16Å; L124-L274 HydrophobicContact CD1-CD2 3.61Å; L124-L274 HydrophobicContact CD1-CG 3.81Å; L124-L274 HydrophobicContact CD2-CG 4.34Å; L124-L274 HydrophobicContact CG-CD2 4.31Å; L124-L274 HydrophobicContact CG-CG 4.4Å; L124-Y622 HydrophobicContact CD1-CD2 4.02Å; L124-Y622 HydrophobicContact CD1-CE2 3.29Å |
| 125 | L | 79.1 | Confident | 78.9 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -32.5 | 174.7 | -169.4 | 150.2 | 0 | 0 | 0 | 111.7 | M121 A122 P123 L129 | M121-L125 PolarHBondContact O-N 2.94Å; A122-L125 WeakPolarHBondContact O-CB 3.24Å; A122-L125 PolarHBondContact O-N 3.42Å; P123-L125 PolarHBondContact O-N 2.98Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.16Å |
| 126 | Q | 75.6 | Confident | 79.5 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 174.5 | -56.4 | -173.8 | -8.2 | 0 | 0 | 111.8 | P123 L124 L130 I1248 | P123-Q126 WeakPolarHBondContact O-CB 3.33Å; P123-Q126 PolarHBondContact O-N 3.38Å; P123-Q126 VanDerWaalsContact O-N 3.07Å; L124-Q126 PolarHBondContact O-N 2.96Å; Q126-L130 PolarHBondContact O-N 3.38Å; Q126-I1248 HydrophobicContact CB-CD1 4.18Å |
| 127 | I | 80.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.3 | -46.9 | 174.6 | -69.8 | 162.7 | 0 | 0 | 0 | 110.8 | L124 L129 L130 V131 L269 V270 V273 | L124-I127 HydrophobicContact CD2-CD1 3.98Å; L124-I127 CarbonylContact O-C 3.24Å; L124-I127 PolarHBondContact O-N 3.17Å; L124-I127 VanDerWaalsContact O-N 3.08Å; I127-L129 PolarHBondContact O-N 3.07Å; I127-L130 CarbonylContact O-C 3.6Å; I127-L130 WeakPolarHBondContact O-CA 3.35Å; I127-L130 WeakPolarHBondContact O-CB 3.31Å; I127-L130 PolarHBondContact O-N 2.99Å; I127-V131 HydrophobicContact CG2-CG2 4.14Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 3.1Å; I127-L269 HydrophobicContact CD1-CB 4.35Å; I127-L269 HydrophobicContact CD1-CG 3.94Å; I127-L269 VanDerWaalsContact CD1-O 3.22Å; I127-L269 WeakPolarHBondContact CD1-O 3.45Å; I127-L269 HydrophobicContact CG1-CD2 4.01Å; I127-L269 HydrophobicContact CG1-CG 3.89Å; I127-L269 HydrophobicContact CG2-CB 4.16Å; I127-L269 HydrophobicContact CG2-CD2 4.12Å; I127-L269 HydrophobicContact CG2-CG 4.29Å; I127-V270 HydrophobicContact CG2-CG2 3.8Å; I127-V273 HydrophobicContact CD1-CB 3.73Å; I127-V273 HydrophobicContact CD1-CG1 4.22Å; I127-V273 HydrophobicContact CD1-CG2 3.44Å; I127-V273 VanDerWaalsContact CD1-CG2 3.44Å |
| 128 | S | 80.5 | Confident | 81 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.6 | -36.2 | 177 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | L124 V131 L132 | L124-S128 WeakPolarHBondContact O-CB 3.49Å; L124-S128 PolarHBondContact O-N 3.2Å; S128-V131 PolarHBondContact O-N 3.01Å; S128-L132 VanDerWaalsContact O-CB 3.28Å; S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 PolarHBondContact O-N 2.97Å |
| 129 | L | 80.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 45% | 0.45 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 172.1 | -173.5 | 152.1 | 0 | 0 | 0 | 112.8 | L125 I127 F133 I1245 | L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.16Å; I127-L129 PolarHBondContact O-N 3.07Å; L129-F133 VanDerWaalsContact O-CB 3.25Å; L129-F133 WeakPolarHBondContact O-CB 3.41Å; L129-F133 PolarHBondContact O-N 3.05Å; L129-I1245 HydrophobicContact CD2-CD1 3.6Å |
| 130 | L | 79.1 | Confident | 82.2 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 173 | 178.1 | 62.1 | 0 | 0 | 0 | 112.2 | Q126 I127 F133 A134 M266 L269 L1239 I1245 I1248 | Q126-L130 PolarHBondContact O-N 3.38Å; I127-L130 CarbonylContact O-C 3.6Å; I127-L130 WeakPolarHBondContact O-CA 3.35Å; I127-L130 WeakPolarHBondContact O-CB 3.31Å; I127-L130 PolarHBondContact O-N 2.99Å; L130-F133 PolarHBondContact O-N 3.08Å; L130-A134 PolarHBondContact O-N 3.18Å; L130-M266 HydrophobicContact CG-CE 4.44Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; L130-L1239 HydrophobicContact CD1-CD2 4.13Å; L130-I1245 HydrophobicContact CD1-CG2 4.01Å; L130-I1248 HydrophobicContact CD2-CG2 4.19Å |
| 131 | V | 82.4 | Confident | 82.9 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | I127 S128 F133 A134 I135 M266 | I127-V131 HydrophobicContact CG2-CG2 4.14Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 3.1Å; S128-V131 PolarHBondContact O-N 3.01Å; V131-F133 VanDerWaalsContact C-N 3.29Å; V131-F133 PolarHBondContact O-N 3.04Å; V131-A134 WeakPolarHBondContact O-CB 3.21Å; V131-A134 PolarHBondContact O-N 3.24Å; V131-A134 VanDerWaalsContact O-N 3.12Å; V131-I135 HydrophobicContact CG1-CD1 3.94Å; V131-I135 HydrophobicContact CG1-CG1 4.49Å; V131-I135 WeakPolarHBondContact O-CG1 3.27Å; V131-I135 PolarHBondContact O-N 3.44Å; V131-M266 HydrophobicContact CG2-CB 3.85Å; V131-M266 HydrophobicContact CG2-CG 3.94Å; V131-M266 HydrophobicContact CG2-SD 3.82Å |
| 132 | L | 84.3 | Confident | 83.3 | Confident | 83 Ų | 83 | 36.9 Ų | 36.9 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.2 | 178.8 | 62.1 | 0 | 0 | 0 | 111.8 | S128 I135 I136 M223 | S128-L132 VanDerWaalsContact O-CB 3.28Å; S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 PolarHBondContact O-N 2.97Å; L132-I135 PolarHBondContact O-N 3.49Å; L132-I136 HydrophobicContact CD1-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 4.06Å; L132-I136 WeakPolarHBondContact O-CB 3.43Å; L132-I136 WeakPolarHBondContact O-CD1 3.43Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.23Å; L132-I136 PolarHBondContact O-N 2.9Å; L132-M223 HydrophobicContact CD1-CE 3.86Å |
| 133 | F | 82.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 175.8 | -176.5 | -92.9 | 0 | 0 | 0 | 112.6 | L129 L130 V131 I137 L1235 L1238 L1239 | L129-F133 VanDerWaalsContact O-CB 3.25Å; L129-F133 WeakPolarHBondContact O-CB 3.41Å; L129-F133 PolarHBondContact O-N 3.05Å; L130-F133 PolarHBondContact O-N 3.08Å; V131-F133 VanDerWaalsContact C-N 3.29Å; V131-F133 PolarHBondContact O-N 3.04Å; F133-I137 HydrophobicContact CD1-CD1 3.77Å; F133-I137 HydrophobicContact CE1-CD1 3.39Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CZ-CD1 4.1Å; F133-I137 WeakPolarHBondContact O-CG1 3.26Å; F133-I137 PolarHBondContact O-N 3.06Å; F133-L1235 HydrophobicContact CD2-CD1 4.39Å; F133-L1235 HydrophobicContact CE2-CD1 3.47Å; F133-L1235 VanDerWaalsContact CE2-CD1 3.47Å; F133-L1235 HydrophobicContact CE2-CG 3.83Å; F133-L1235 HydrophobicContact CZ-CD1 3.89Å; F133-L1235 HydrophobicContact CZ-CG 3.79Å; F133-L1235 WeakPolarHBondContact CZ-O 3.32Å; F133-L1238 HydrophobicContact CE2-CB 4.17Å; F133-L1238 HydrophobicContact CE2-CD1 4.43Å; F133-L1238 HydrophobicContact CZ-CB 4.38Å; F133-L1239 HydrophobicContact CD1-CD2 3.75Å; F133-L1239 HydrophobicContact CD1-CG 4.3Å; F133-L1239 HydrophobicContact CE1-CD1 3.86Å; F133-L1239 HydrophobicContact CE1-CD2 3.47Å; F133-L1239 VanDerWaalsContact CE1-CD2 3.47Å; F133-L1239 HydrophobicContact CE1-CG 3.51Å; F133-L1239 HydrophobicContact CZ-CD2 4.01Å; F133-L1239 HydrophobicContact CZ-CG 3.87Å |
| 134 | A | 83.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L130 V131 I136 I137 F138 M266 | L130-A134 PolarHBondContact O-N 3.18Å; V131-A134 WeakPolarHBondContact O-CB 3.21Å; V131-A134 PolarHBondContact O-N 3.24Å; V131-A134 VanDerWaalsContact O-N 3.12Å; A134-I136 VanDerWaalsContact C-N 3.29Å; A134-I136 PolarHBondContact O-N 3.49Å; A134-I137 PolarHBondContact O-N 3.2Å; A134-I137 VanDerWaalsContact O-N 3.12Å; A134-F138 WeakPolarHBondContact O-CD2 3.34Å; A134-F138 PolarHBondContact O-N 3.32Å; A134-M266 HydrophobicContact CB-CE 3.56Å |
| 135 | I | 89.1 | Confident | 84.7 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.4 | -47.5 | 172.6 | -70.9 | 166.4 | 0 | 0 | 0 | 110 | V131 L132 I137 F138 A139 M223 V226 F227 I230 | V131-I135 HydrophobicContact CG1-CD1 3.94Å; V131-I135 HydrophobicContact CG1-CG1 4.49Å; V131-I135 WeakPolarHBondContact O-CG1 3.27Å; V131-I135 PolarHBondContact O-N 3.44Å; L132-I135 PolarHBondContact O-N 3.49Å; I135-I137 PolarHBondContact O-N 3.5Å; I135-F138 PolarHBondContact O-N 3.11Å; I135-A139 WeakPolarHBondContact O-CB 3.22Å; I135-A139 PolarHBondContact O-N 2.98Å; I135-M223 HydrophobicContact CG2-CB 4.22Å; I135-M223 HydrophobicContact CG2-CE 4.23Å; I135-M223 HydrophobicContact CG2-CG 4.06Å; I135-V226 HydrophobicContact CB-CG1 4.37Å; I135-V226 HydrophobicContact CG1-CG1 4.37Å; I135-V226 HydrophobicContact CG2-CG1 4.1Å; I135-F227 HydrophobicContact CD1-CD2 4.44Å; I135-I230 HydrophobicContact CD1-CD1 4.42Å; I135-I230 HydrophobicContact CG1-CD1 3.63Å |
| 136 | I | 88.1 | Confident | 85 | Confident | 29 Ų | 29 | 31 Ų | 31 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.2 | -73.9 | 165.6 | 0 | 0 | 0 | 111.9 | L132 A134 I140 M223 M1134 L1235 | L132-I136 HydrophobicContact CD1-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 4.06Å; L132-I136 WeakPolarHBondContact O-CB 3.43Å; L132-I136 WeakPolarHBondContact O-CD1 3.43Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.23Å; L132-I136 PolarHBondContact O-N 2.9Å; A134-I136 VanDerWaalsContact C-N 3.29Å; A134-I136 PolarHBondContact O-N 3.49Å; I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 WeakPolarHBondContact O-CB 3.23Å; I136-I140 VanDerWaalsContact O-CG1 3.25Å; I136-I140 WeakPolarHBondContact O-CG1 3.18Å; I136-I140 PolarHBondContact O-N 3.08Å; I136-M223 HydrophobicContact CG1-CE 4.18Å; I136-M223 HydrophobicContact CG1-SD 4.09Å; I136-M1134 HydrophobicContact CB-CE 4.34Å; I136-M1134 HydrophobicContact CD1-CE 4.04Å; I136-M1134 HydrophobicContact CG1-CE 4.07Å; I136-M1134 HydrophobicContact CG2-CE 3.33Å; I136-L1235 HydrophobicContact CG2-CD2 3.9Å |
| 137 | I | 87.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 28.1 Ų | 28.1 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 175.7 | -75.1 | 168.3 | 0 | 0 | 0 | 110.8 | F133 A134 I135 A139 I140 I141 L1235 I1236 | F133-I137 HydrophobicContact CD1-CD1 3.77Å; F133-I137 HydrophobicContact CE1-CD1 3.39Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CZ-CD1 4.1Å; F133-I137 WeakPolarHBondContact O-CG1 3.26Å; F133-I137 PolarHBondContact O-N 3.06Å; A134-I137 PolarHBondContact O-N 3.2Å; A134-I137 VanDerWaalsContact O-N 3.12Å; I135-I137 PolarHBondContact O-N 3.5Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.19Å; I137-I140 PolarHBondContact O-N 3.06Å; I137-I141 HydrophobicContact CG2-CD1 3.74Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.39Å; I137-I141 PolarHBondContact O-N 3.43Å; I137-L1235 HydrophobicContact CD1-CD2 4.48Å; I137-L1235 HydrophobicContact CG1-CD2 3.59Å; I137-L1235 HydrophobicContact CG1-CG 4.1Å; I137-I1236 HydrophobicContact CD1-CG1 4.14Å |
| 138 | F | 89.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 28.9 Ų | 28.9 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -34.9 | -177.7 | -77.4 | -73.4 | 0 | 0 | 0 | 112.4 | A134 I135 I141 G142 V226 Y254 L258 | A134-F138 WeakPolarHBondContact O-CD2 3.34Å; A134-F138 PolarHBondContact O-N 3.32Å; I135-F138 PolarHBondContact O-N 3.11Å; F138-I141 PolarHBondContact O-N 2.9Å; F138-G142 PolarHBondContact O-N 3.13Å; F138-V226 HydrophobicContact CB-CG1 3.89Å; F138-V226 HydrophobicContact CB-CG2 4.23Å; F138-Y254 HydrophobicContact CD1-CE2 4.09Å; F138-Y254 PolarHBondContact O-OH 3.44Å; F138-L258 HydrophobicContact CB-CD1 4.05Å; F138-L258 HydrophobicContact CD1-CB 4.36Å; F138-L258 HydrophobicContact CD1-CD1 4.07Å; F138-L258 HydrophobicContact CD2-CD1 3.76Å; F138-L258 HydrophobicContact CE1-CB 4.24Å; F138-L258 HydrophobicContact CE1-CD1 4.44Å; F138-L258 HydrophobicContact CE2-CD1 4.16Å; F138-L258 HydrophobicContact CG-CD1 3.71Å; F138-L258 HydrophobicContact CZ-CD1 4.48Å |
| 139 | A | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I135 I137 I141 G142 L143 I219 A222 M223 V226 | I135-A139 WeakPolarHBondContact O-CB 3.22Å; I135-A139 PolarHBondContact O-N 2.98Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.19Å; A139-I141 VanDerWaalsContact C-N 3.32Å; A139-I141 PolarHBondContact O-N 3.43Å; A139-G142 PolarHBondContact O-N 2.98Å; A139-L143 WeakPolarHBondContact O-CB 3.21Å; A139-L143 PolarHBondContact O-N 3.27Å; A139-I219 HydrophobicContact CB-CD1 3.93Å; A139-A222 HydrophobicContact CB-CB 3.99Å; A139-A222 WeakPolarHBondContact CB-O 3.37Å; A139-M223 HydrophobicContact CB-CB 4.42Å; A139-M223 HydrophobicContact CB-CG 3.65Å; A139-V226 HydrophobicContact CB-CG2 4.34Å |
| 140 | I | 89.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 173.6 | -70.1 | 169.3 | 0 | 0 | 0 | 110.9 | I136 I137 E144 I219 T1130 L1133 M1134 A1232 L1235 | I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 WeakPolarHBondContact O-CB 3.23Å; I136-I140 VanDerWaalsContact O-CG1 3.25Å; I136-I140 WeakPolarHBondContact O-CG1 3.18Å; I136-I140 PolarHBondContact O-N 3.08Å; I137-I140 PolarHBondContact O-N 3.06Å; I140-E144 WeakPolarHBondContact O-CG 3.34Å; I140-E144 PolarHBondContact O-N 2.69Å; I140-I219 HydrophobicContact CG1-CD1 3.9Å; I140-T1130 HydrophobicContact CD1-CG2 4.04Å; I140-L1133 HydrophobicContact CG2-CB 4.24Å; I140-L1133 HydrophobicContact CG2-CD1 4.34Å; I140-M1134 HydrophobicContact CD1-CE 4.36Å; I140-M1134 HydrophobicContact CD1-CG 4.07Å; I140-M1134 HydrophobicContact CG1-CG 4.42Å; I140-A1232 HydrophobicContact CG2-CB 4.02Å; I140-L1235 HydrophobicContact CD1-CD2 4.26Å |
| 141 | I | 88.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 22.6 Ų | 22.6 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -44.8 | 176 | -67.4 | 167.2 | 0 | 0 | 0 | 110.9 | I137 F138 A139 E144 F145 Y254 L1229 A1232 | I137-I141 HydrophobicContact CG2-CD1 3.74Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.39Å; I137-I141 PolarHBondContact O-N 3.43Å; F138-I141 PolarHBondContact O-N 2.9Å; A139-I141 VanDerWaalsContact C-N 3.32Å; A139-I141 PolarHBondContact O-N 3.43Å; I141-E144 PolarHBondContact O-N 3.3Å; I141-E144 VanDerWaalsContact O-N 3.14Å; I141-F145 HydrophobicContact CG2-CD2 3.75Å; I141-F145 HydrophobicContact CG2-CE2 3.43Å; I141-F145 VanDerWaalsContact CG2-CE2 3.43Å; I141-F145 HydrophobicContact CG2-CZ 3.97Å; I141-F145 WeakPolarHBondContact O-CG 3.47Å; I141-F145 PolarHBondContact O-N 3.1Å; I141-Y254 HydrophobicContact CB-CE2 4.17Å; I141-Y254 HydrophobicContact CG2-CD2 3.93Å; I141-Y254 HydrophobicContact CG2-CE2 3.77Å; I141-L1229 HydrophobicContact CD1-CD1 3.67Å; I141-L1229 HydrophobicContact CG1-CD1 3.71Å; I141-L1229 HydrophobicContact CG2-CD1 4.44Å; I141-A1232 HydrophobicContact CG1-CB 4.32Å |
| 142 | G | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | F138 A139 E144 F145 Y146 | F138-G142 PolarHBondContact O-N 3.13Å; A139-G142 PolarHBondContact O-N 2.98Å; G142-E144 PolarHBondContact O-N 3.07Å; G142-F145 PolarHBondContact O-N 2.9Å; G142-Y146 PolarHBondContact O-N 3.04Å |
| 143 | L | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.7 | -25.5 | 173.7 | -179.8 | 63.2 | 0 | 0 | 0 | 113.1 | A139 S147 F216 I219 A222 K1136 | A139-L143 WeakPolarHBondContact O-CB 3.21Å; A139-L143 PolarHBondContact O-N 3.27Å; L143-S147 WeakPolarHBondContact O-CB 3.2Å; L143-F216 WeakPolarHBondContact CD1-O 3.36Å; L143-I219 HydrophobicContact CD2-CB 4.29Å; L143-I219 HydrophobicContact CD2-CD1 4.47Å; L143-A222 HydrophobicContact CB-CB 4.44Å; L143-K1136 HydrophobicContact CD2-CB 4.29Å; L143-K1136 HydrophobicContact CG-CB 4.48Å; L143-K1136 HydrophobicContact CG-CD 4.29Å; L143-K1136 PolarHBondContact O-NZ 3.04Å |
| 144 | E | 84.5 | Confident | 86.4 | Confident | 21 Ų | 21 | 18.6 Ų | 18.6 | 10% | 0.098 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -89.2 | -23.9 | 175.5 | -74.5 | -72.9 | -154.7 | 0 | 0 | 114.9 | I140 I141 G142 K1136 | I140-E144 WeakPolarHBondContact O-CG 3.34Å; I140-E144 PolarHBondContact O-N 2.69Å; I141-E144 PolarHBondContact O-N 3.3Å; I141-E144 VanDerWaalsContact O-N 3.14Å; G142-E144 PolarHBondContact O-N 3.07Å; E144-K1136 IonicContact OE2-NZ 3.93Å; E144-K1136 PolarHBondContact OE2-NZ 2.97Å |
| 145 | F | 84.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 18.4 Ų | 18.4 | 30% | 0.298 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -96 | -41.1 | 178.3 | -65.7 | -16.3 | 0 | 0 | 0 | 114.1 | I141 G142 | I141-F145 HydrophobicContact CG2-CD2 3.75Å; I141-F145 HydrophobicContact CG2-CE2 3.43Å; I141-F145 VanDerWaalsContact CG2-CE2 3.43Å; I141-F145 HydrophobicContact CG2-CZ 3.97Å; I141-F145 WeakPolarHBondContact O-CG 3.47Å; I141-F145 PolarHBondContact O-N 3.1Å; G142-F145 PolarHBondContact O-N 2.9Å |
| 146 | Y | 86.9 | Confident | 86 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -5.4 | -161.6 | -53.8 | -49.5 | 0 | 0 | 0 | 115.2 | G142 G148 G149 F216 T242 F246 N251 Y254 | G142-Y146 PolarHBondContact O-N 3.04Å; Y146-G148 PolarHBondContact O-N 3.11Å; Y146-G149 PolarHBondContact O-N 3.43Å; Y146-F216 HydrophobicContact CD2-CD2 4.01Å; Y146-F216 AromaticContact CD2-CE2 3.98Å; Y146-F216 HydrophobicContact CD2-CE2 3.98Å; Y146-F216 HydrophobicContact CD2-CG 4.49Å; Y146-F216 HydrophobicContact CD2-CZ 4.43Å; Y146-F216 HydrophobicContact CG-CD2 4.27Å; Y146-T242 HydrophobicContact CD1-CG2 3.59Å; Y146-T242 HydrophobicContact CD2-CG2 4.37Å; Y146-T242 HydrophobicContact CE1-CG2 3.25Å; Y146-T242 HydrophobicContact CE2-CG2 4.11Å; Y146-T242 HydrophobicContact CG-CG2 4.13Å; Y146-F246 AromaticContact CD1-CD2 3.79Å; Y146-F246 HydrophobicContact CD1-CD2 3.79Å; Y146-F246 AromaticContact CD1-CE2 3.67Å; Y146-F246 HydrophobicContact CD1-CE2 3.67Å; Y146-F246 HydrophobicContact CD1-CZ 4.39Å; Y146-F246 HydrophobicContact CE1-CD2 4.19Å; Y146-F246 HydrophobicContact CE1-CE2 4.5Å; Y146-F246 HydrophobicContact CG-CE2 4.49Å; Y146-N251 PolarHBondContact OH-OD1 3.45Å; Y146-Y254 HydrophobicContact CE2-CD1 4.1Å; Y146-Y254 HydrophobicContact CE2-CE1 4.37Å; Y146-Y254 HydrophobicContact CE2-CG 4.2Å |
| 147 | S | 85.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 22.8 Ų | 22.8 | 21% | 0.21 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 127.1 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | L143 G149 F216 | L143-S147 WeakPolarHBondContact O-CB 3.2Å; S147-G149 PolarHBondContact O-N 2.89Å; S147-F216 WeakPolarHBondContact CA-O 3.39Å; S147-F216 WeakPolarHBondContact CB-O 3.36Å |
| 148 | G | 78.5 | Confident | 85.4 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -7.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y146 F150 D217 H1138 | Y146-G148 PolarHBondContact O-N 3.11Å; G148-F150 VanDerWaalsContact C-N 3.34Å; G148-F150 PolarHBondContact O-N 2.88Å; G148-D217 WeakPolarHBondContact CA-OD1 3.03Å; G148-D217 PolarHBondContact N-OD1 3.4Å; G148-H1138 WeakPolarHBondContact CA-ND1 3.48Å |
| 149 | G | 79.7 | Confident | 84.8 | Confident | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y146 S147 | Y146-G149 PolarHBondContact O-N 3.43Å; S147-G149 PolarHBondContact O-N 2.89Å |
| 150 | F | 88.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6 | -174 | -59.2 | -33 | 0 | 0 | 0 | 114.9 | G148 M152 P175 P209 T214 F216 | G148-F150 VanDerWaalsContact C-N 3.34Å; G148-F150 PolarHBondContact O-N 2.88Å; F150-M152 VanDerWaalsContact C-N 3.28Å; F150-M152 PolarHBondContact O-N 2.71Å; F150-P175 HydrophobicContact CD1-CG 4Å; F150-P209 HydrophobicContact CB-CG 4.42Å; F150-P209 HydrophobicContact CD2-CG 4.4Å; F150-P209 HydrophobicContact CG-CG 4.41Å; F150-T214 WeakPolarHBondContact CD2-O 3.37Å; F150-F216 AromaticContact CE2-CD2 3.69Å; F150-F216 HydrophobicContact CE2-CD2 3.69Å; F150-F216 HydrophobicContact CE2-CE2 4.08Å; F150-F216 HydrophobicContact CZ-CD2 4Å; F150-F216 HydrophobicContact CZ-CE2 4.15Å |
| 151 | H | 86.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 11% | 0.111 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.4 | -7.6 | 179.1 | -63.3 | -52.7 | 0 | 0 | 0 | 114.2 | G204 W206 E207 D217 H1138 | H151-G204 CarbonylContact O-C 3.59Å; H151-G204 VanDerWaalsContact O-C 3.22Å; H151-G204 VanDerWaalsContact O-CA 3.25Å; H151-G204 WeakPolarHBondContact O-CA 3.05Å; H151-W206 WeakPolarHBondContact CA-O 3.41Å; H151-W206 WeakPolarHBondContact CB-O 3.31Å; H151-W206 PolarHBondContact ND1-O 2.98Å; H151-W206 PolarHBondContact O-N 3.04Å; H151-W206 VanDerWaalsContact O-N 3.17Å; H151-E207 PolarHBondContact CE1-O 3.15Å; H151-E207 VanDerWaalsContact CE1-O 3.29Å; H151-E207 PolarHBondContact ND1-O 3.26Å; H151-D217 IonicContact CE1-OD2 3.11Å; H151-D217 IonicContact NE2-OD1 2.67Å; H151-D217 IonicContact NE2-OD2 3.71Å; H151-D217 PolarHBondContact NE2-OD2 3.39Å; H151-H1138 AromaticContact CD2-CD2 3.35Å; H151-H1138 PolarHBondContact CD2-CD2 2.94Å; H151-H1138 AromaticContact CD2-NE2 3.43Å; H151-H1138 PolarHBondContact CD2-NE2 2.93Å; H151-H1138 AromaticContact NE2-CD2 3.42Å; H151-H1138 PolarHBondContact NE2-CD2 3.22Å; H151-H1138 AromaticContact NE2-NE2 4Å |
| 152 | M | 84.6 | Confident | 82 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 30% | 0.296 | 24% | 0.24 | S | C | . | . | trans | -92.4 | 116.6 | -179.1 | -60.8 | -167 | 67.7 | 0 | 0 | 110.7 | F150 P175 C176 L178 K203 | F150-M152 VanDerWaalsContact C-N 3.28Å; F150-M152 PolarHBondContact O-N 2.71Å; M152-P175 CarbonylContact O-C 3.59Å; M152-P175 VanDerWaalsContact O-CA 3.23Å; M152-P175 WeakPolarHBondContact O-CA 3.43Å; M152-C176 VanDerWaalsContact C-SG 3.53Å; M152-C176 PolarHBondContact O-N 3.25Å; M152-L178 HydrophobicContact CE-CB 4.04Å; M152-L178 HydrophobicContact CE-CD1 4.33Å; M152-K203 WeakPolarHBondContact CA-O 3.3Å | ||
| 153 | T | 86.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 176 | 173.5 | -163.3 | 0 | 0 | 0 | 0 | 112 | F155 L163 L173 A174 C176 C202 K203 W206 | T153-F155 HydrophobicContact CG2-CD2 4.35Å; T153-F155 HydrophobicContact CG2-CE2 3.81Å; T153-F155 HydrophobicContact CG2-CZ 4.5Å; T153-F155 WeakPolarHBondContact O-CD2 3.23Å; T153-L163 HydrophobicContact CG2-CD1 3.57Å; T153-L173 HydrophobicContact CG2-CD2 3.82Å; T153-A174 WeakPolarHBondContact CB-O 3.33Å; T153-A174 PolarHBondContact OG1-O 2.92Å; T153-C176 WeakPolarHBondContact CA-SG 3.43Å; T153-C176 PolarHBondContact N-SG 3.42Å; T153-C176 VanDerWaalsContact N-SG 3.42Å; T153-C176 PolarHBondContact O-SG 2.91Å; T153-C176 VanDerWaalsContact O-SG 3.4Å; T153-C202 CarbonylContact O-C 3.53Å; T153-C202 WeakPolarHBondContact O-CA 3.23Å; T153-K203 PolarHBondContact N-O 2.68Å; T153-K203 PolarHBondContact O-N 3.42Å; T153-W206 HydrophobicContact CG2-CB 3.54Å; T153-W206 HydrophobicContact CG2-CD2 3.97Å; T153-W206 HydrophobicContact CG2-CE3 4.07Å; T153-W206 HydrophobicContact CG2-CG 3.8Å |
| 154 | C | 86.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.7 | -172 | -60 | 0 | 0 | 0 | 0 | 111.6 | P164 L167 C196 Y200 | C154-P164 WeakPolarHBondContact O-CG 3.3Å; C154-L167 HydrophobicContact CB-CD2 3.85Å; C154-C196 VanDerWaalsContact CA-SG 3.51Å; C154-C196 HydrophobicContact CB-CB 3.83Å; C154-C196 WeakPolarHBondContact CB-SG 3.42Å; C154-C196 WeakPolarHBondContact SG-CA 3.14Å; C154-C196 WeakPolarHBondContact SG-CB 3.23Å; C154-C196 CovalentContact SG-SG 2.04Å; C154-C196 PolarHBondContact SG-SG 2.97Å; C154-Y200 HydrophobicContact CB-CD1 4.3Å |
| 155 | F | 82.2 | Confident | 79.6 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 150.4 | 172.9 | -73.9 | -103.6 | 0 | 0 | 0 | 110.6 | T153 L157 L163 Y200 V201 K203 | T153-F155 HydrophobicContact CG2-CD2 4.35Å; T153-F155 HydrophobicContact CG2-CE2 3.81Å; T153-F155 HydrophobicContact CG2-CZ 4.5Å; T153-F155 WeakPolarHBondContact O-CD2 3.23Å; F155-L157 PolarHBondContact O-N 2.9Å; F155-L163 HydrophobicContact CD1-CD1 4.46Å; F155-L163 HydrophobicContact CE1-CB 4.14Å; F155-L163 HydrophobicContact CE1-CD1 3.75Å; F155-L163 HydrophobicContact CE2-CD1 3.91Å; F155-L163 HydrophobicContact CZ-CD1 3.41Å; F155-L163 VanDerWaalsContact CZ-CD1 3.41Å; F155-Y200 CarbonylContact O-C 3.35Å; F155-Y200 VanDerWaalsContact O-CA 3.24Å; F155-Y200 WeakPolarHBondContact O-CA 3.44Å; F155-V201 HydrophobicContact CB-CG1 4.43Å; F155-V201 PolarHBondContact N-O 3.28Å; F155-V201 PolarHBondContact O-N 2.86Å; F155-K203 HydrophobicContact CB-CD 4.22Å; F155-K203 HydrophobicContact CD2-CB 3.69Å; F155-K203 HydrophobicContact CD2-CD 4.24Å; F155-K203 HydrophobicContact CD2-CG 4.3Å; F155-K203 HydrophobicContact CE2-CB 4.04Å; F155-K203 HydrophobicContact CG-CB 4.43Å; F155-K203 HydrophobicContact CG-CD 4.18Å |
| 156 | D | 82.2 | Confident | 78.8 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.5 | 171 | -171.1 | -30.4 | 0 | 0 | 0 | 109.5 | Y158 N159 P160 Y200 | D156-Y158 VanDerWaalsContact C-N 3.25Å; D156-Y158 PolarHBondContact O-N 3.38Å; D156-Y158 WeakPolarHBondContact OD1-CB 3.48Å; D156-Y158 WeakPolarHBondContact OD1-CD2 3.35Å; D156-Y158 PolarHBondContact OD1-N 3.49Å; D156-N159 HydrophobicContact CB-CB 4.26Å; D156-N159 CarbonylContact O-C 3.45Å; D156-N159 PolarHBondContact O-N 3.14Å; D156-P160 WeakPolarHBondContact O-CA 3.34Å; D156-Y200 HydrophobicContact CB-CE1 4.47Å |
| 157 | L | 81.3 | Confident | 78.2 | Confident | 106 Ų | 106 | 54 Ų | 54 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.1 | -23.1 | 179.5 | -170.5 | 143.9 | 0 | 0 | 0 | 112.5 | F155 N199 | F155-L157 PolarHBondContact O-N 2.9Å; L157-N199 WeakPolarHBondContact CB-O 3.46Å; L157-N199 PolarHBondContact N-O 2.6Å |
| 158 | Y | 80.3 | Confident | 77.3 | Confident | 166 Ų | 166 | 56.1 Ų | 56.1 | 65% | 0.651 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -85 | -34.3 | 174.7 | -60.5 | -75.9 | 0 | 0 | 0 | 113 | D156 P160 N199 | D156-Y158 VanDerWaalsContact C-N 3.25Å; D156-Y158 PolarHBondContact O-N 3.38Å; D156-Y158 WeakPolarHBondContact OD1-CB 3.48Å; D156-Y158 WeakPolarHBondContact OD1-CD2 3.35Å; D156-Y158 PolarHBondContact OD1-N 3.49Å; Y158-P160 WeakPolarHBondContact O-CD 3.24Å; Y158-N199 HydrophobicContact CE2-CB 4.16Å |
| 159 | N | 77.4 | Confident | 76.8 | Confident | 90 Ų | 90 | 60 Ų | 60 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -116.9 | 67.7 | 179.1 | -72.8 | -48.1 | 0 | 0 | 0 | 111 | D156 D161 Y162 | D156-N159 HydrophobicContact CB-CB 4.26Å; D156-N159 CarbonylContact O-C 3.45Å; D156-N159 PolarHBondContact O-N 3.14Å; N159-D161 PolarHBondContact O-N 3.3Å; N159-Y162 HydrophobicContact CB-CD2 4.44Å; N159-Y162 PolarHBondContact O-N 3.07Å; N159-Y162 VanDerWaalsContact O-N 3.12Å |
| 160 | P | 68.2 | Low | 76.2 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.5 | -166.6 | 24.7 | -36.4 | 0 | 0 | 0 | 116.3 | D156 Y158 K203 | D156-P160 WeakPolarHBondContact O-CA 3.34Å; Y158-P160 WeakPolarHBondContact O-CD 3.24Å; P160-K203 PolarHBondContact O-NZ 3.08Å |
| 161 | D | 70.7 | Confident | 75.1 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 78% | 0.775 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -11.7 | -176.5 | -54.4 | -40.4 | 0 | 0 | 0 | 112.8 | N159 | N159-D161 PolarHBondContact O-N 3.3Š|
| 162 | Y | 71.4 | Confident | 74.4 | Confident | 178 Ų | 178 | 65.7 Ų | 65.7 | 70% | 0.698 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -103 | 129.4 | 178.2 | -71.6 | -85.6 | 0 | 0 | 0 | 110.6 | N159 | N159-Y162 HydrophobicContact CB-CD2 4.44Å; N159-Y162 PolarHBondContact O-N 3.07Å; N159-Y162 VanDerWaalsContact O-N 3.12Å |
| 163 | L | 73.2 | Confident | 74.1 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 123.6 | 174.1 | -171.4 | 72.7 | 0 | 0 | 0 | 109.3 | T153 F155 L173 W206 | T153-L163 HydrophobicContact CG2-CD1 3.57Å; F155-L163 HydrophobicContact CD1-CD1 4.46Å; F155-L163 HydrophobicContact CE1-CB 4.14Å; F155-L163 HydrophobicContact CE1-CD1 3.75Å; F155-L163 HydrophobicContact CE2-CD1 3.91Å; F155-L163 HydrophobicContact CZ-CD1 3.41Å; F155-L163 VanDerWaalsContact CZ-CD1 3.41Å; L163-L173 HydrophobicContact CD1-CD1 4.38Å; L163-L173 HydrophobicContact CD1-CD2 3.8Å; L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CG-CD1 3.86Å; L163-L173 HydrophobicContact CG-CD2 4.04Å; L163-W206 HydrophobicContact CD1-CB 4.46Å |
| 164 | P | 72.4 | Confident | 73.9 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 134.5 | 174.3 | 30 | -33.6 | 0 | 0 | 0 | 109.9 | C154 S166 L173 Y200 | C154-P164 WeakPolarHBondContact O-CG 3.3Å; P164-S166 PolarHBondContact O-N 3.32Å; P164-L173 WeakPolarHBondContact O-CD1 3.49Å; P164-L173 VanDerWaalsContact O-CD2 3.29Å; P164-L173 WeakPolarHBondContact O-CD2 3.16Å; P164-L173 WeakPolarHBondContact O-CG 3.27Å; P164-Y200 HydrophobicContact CB-CE1 4.13Å; P164-Y200 HydrophobicContact CG-CD1 4.35Å; P164-Y200 HydrophobicContact CG-CE1 3.94Å |
| 165 | I | 65.3 | Low | 74 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -64.8 | -43.1 | -177.5 | -58.3 | 165.2 | 0 | 0 | 0 | 110.9 | D979 | I165-D979 HydrophobicContact CB-CB 4.17Å; I165-D979 HydrophobicContact CD1-CB 3.93Å; I165-D979 WeakPolarHBondContact CD1-O 3.37Å; I165-D979 HydrophobicContact CG2-CB 3.79Å |
| 166 | S | 67.9 | Low | 74.2 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -134.2 | 154.1 | -178.1 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | P164 P171 D979 | P164-S166 PolarHBondContact O-N 3.32Å; S166-P171 WeakPolarHBondContact CB-O 3.41Å; S166-D979 WeakPolarHBondContact CB-OD2 3.27Å; S166-D979 PolarHBondContact OG-OD2 3.23Å |
| 167 | L | 73.6 | Confident | 74.2 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 153.5 | 178.6 | -76.2 | 83.2 | 0 | 0 | 0 | 110.3 | C154 N169 R170 L173 F194 | C154-L167 HydrophobicContact CB-CD2 3.85Å; L167-N169 PolarHBondContact O-N 3.12Å; L167-R170 HydrophobicContact CB-CB 4.4Å; L167-R170 PolarHBondContact N-O 2.9Å; L167-R170 PolarHBondContact O-N 3.19Å; L167-L173 HydrophobicContact CD1-CD2 4.23Å; L167-F194 HydrophobicContact CD2-CE1 3.6Å; L167-F194 HydrophobicContact CD2-CZ 3.72Å |
| 168 | P | 66.6 | Low | 73.8 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.3 | 178.6 | -27.8 | 34.4 | 0 | 0 | 0 | 115.6 | P197 Y200 | P168-P197 HydrophobicContact CG-CG 4.33Å; P168-Y200 HydrophobicContact CG-CE2 3.63Å |
| 169 | N | 67.9 | Low | 73 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 14.6 | -178.3 | -58.4 | 5.7 | 0 | 0 | 0 | 112.9 | L167 P1288 | L167-N169 PolarHBondContact O-N 3.12Å; N169-P1288 WeakPolarHBondContact O-CB 3.21Å; N169-P1288 VanDerWaalsContact O-CG 3.28Å; N169-P1288 WeakPolarHBondContact O-CG 3.16Å |
| 170 | R | 68 | Low | 71.8 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 19% | 0.185 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -155.5 | 140.9 | 174.4 | -81.8 | -157.9 | -178.4 | -177.4 | 9.2 | 112.7 | L167 T172 A174 D244 | L167-R170 HydrophobicContact CB-CB 4.4Å; L167-R170 PolarHBondContact N-O 2.9Å; L167-R170 PolarHBondContact O-N 3.19Å; R170-T172 PolarHBondContact O-N 3.36Å; R170-A174 VanDerWaalsContact NH1-CB 3.28Å; R170-D244 IonicContact CZ-OD1 3.25Å; R170-D244 IonicContact CZ-OD2 2.6Å; R170-D244 VanDerWaalsContact CZ-OD2 3.26Å; R170-D244 IonicContact NH1-OD1 2.71Å; R170-D244 IonicContact NH1-OD2 2.67Å; R170-D244 PolarHBondContact NH1-OD2 3.08Å; R170-D244 IonicContact NH2-OD1 3.86Å; R170-D244 PolarHBondContact NH2-OD1 2.98Å; R170-D244 IonicContact NH2-OD2 2.88Å; R170-D244 PolarHBondContact NH2-OD2 3.36Å |
| 171 | P | 64.3 | Low | 70.6 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -64 | -26.1 | 175.5 | 28.4 | -35.2 | 0 | 0 | 0 | 113.2 | S166 T2137 | S166-P171 WeakPolarHBondContact CB-O 3.41Å; P171-T2137 HydrophobicContact CB-CG2 4.46Å; P171-T2137 HydrophobicContact CG-CG2 4.43Å |
| 172 | T | 71.5 | Confident | 69 | Low | 65 Ų | 65 | 60 Ų | 60 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -126.5 | 154.7 | -176.2 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | R170 T2137 | R170-T172 PolarHBondContact O-N 3.36Å; T172-T2137 HydrophobicContact CG2-CG2 3.57Å |
| 173 | L | 79.7 | Confident | 67.6 | Low | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | trans | -53.8 | 132 | 163.8 | -78.4 | 153.4 | 0 | 0 | 0 | 111.4 | T153 L163 P164 L167 W206 | T153-L173 HydrophobicContact CG2-CD2 3.82Å; L163-L173 HydrophobicContact CD1-CD1 4.38Å; L163-L173 HydrophobicContact CD1-CD2 3.8Å; L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CG-CD1 3.86Å; L163-L173 HydrophobicContact CG-CD2 4.04Å; P164-L173 WeakPolarHBondContact O-CD1 3.49Å; P164-L173 VanDerWaalsContact O-CD2 3.29Å; P164-L173 WeakPolarHBondContact O-CD2 3.16Å; P164-L173 WeakPolarHBondContact O-CG 3.27Å; L167-L173 HydrophobicContact CD1-CD2 4.23Å; L173-W206 HydrophobicContact CB-CH2 4.07Å; L173-W206 HydrophobicContact CB-CZ2 3.59Å; L173-W206 WeakPolarHBondContact O-CH2 3.16Å | ||
| 174 | A | 82.3 | Confident | 65.7 | Low | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | trans | -127.3 | 152.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | T153 R170 F194 | T153-A174 WeakPolarHBondContact CB-O 3.33Å; T153-A174 PolarHBondContact OG1-O 2.92Å; R170-A174 VanDerWaalsContact NH1-CB 3.28Å; A174-F194 HydrophobicContact CB-CD1 4.37Å | ||
| 175 | P | 86.9 | Confident | 64 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | trans | -57 | 146.4 | 167.6 | -25.1 | 36.6 | 0 | 0 | 0 | 111.7 | F150 M152 F194 W206 S241 D244 A245 | F150-P175 HydrophobicContact CD1-CG 4Å; M152-P175 CarbonylContact O-C 3.59Å; M152-P175 VanDerWaalsContact O-CA 3.23Å; M152-P175 WeakPolarHBondContact O-CA 3.43Å; P175-F194 WeakPolarHBondContact O-CB 3.21Å; P175-F194 WeakPolarHBondContact O-CD1 3.27Å; P175-W206 HydrophobicContact CG-CZ3 4.13Å; P175-S241 WeakPolarHBondContact CG-O 3.25Å; P175-D244 HydrophobicContact CB-CB 4.34Å; P175-A245 HydrophobicContact CB-CB 3.82Å | ||
| 176 | C | 86.4 | Confident | 62.6 | Low | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 43% | 0.428 | C | S | . | . | trans | -129.1 | 152.7 | 177.2 | 63 | 0 | 0 | 0 | 0 | 112.7 | M152 T153 F194 C202 | M152-C176 VanDerWaalsContact C-SG 3.53Å; M152-C176 PolarHBondContact O-N 3.25Å; T153-C176 WeakPolarHBondContact CA-SG 3.43Å; T153-C176 PolarHBondContact N-SG 3.42Å; T153-C176 VanDerWaalsContact N-SG 3.42Å; T153-C176 PolarHBondContact O-SG 2.91Å; T153-C176 VanDerWaalsContact O-SG 3.4Å; C176-F194 HydrophobicContact CB-CD1 4.27Å; C176-C202 HydrophobicContact CB-CB 4.06Å; C176-C202 WeakPolarHBondContact CB-SG 3.04Å; C176-C202 PolarHBondContact O-SG 3.31Å; C176-C202 VanDerWaalsContact O-SG 3.32Å; C176-C202 WeakPolarHBondContact SG-CA 3.08Å; C176-C202 WeakPolarHBondContact SG-CB 3.42Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 3.04Å | ||
| 177 | S | 81.9 | Confident | 61.5 | Low | 25 Ų | 25 | 67.2 Ų | 67.2 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | trans | -97.8 | 140.9 | 173.7 | -144.1 | 0 | 0 | 0 | 0 | 111.6 | S179 F194 A245 | S177-S179 PolarHBondContact O-N 2.66Å; S177-F194 PolarHBondContact N-O 2.85Å; S177-A245 PolarHBondContact OG-O 2.94Å | ||
| 178 | L | 74.6 | Confident | 60.6 | Low | 104 Ų | 104 | 71.4 Ų | 71.4 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | trans | -79.4 | 105.4 | -176.5 | -168.5 | 72.6 | 0 | 0 | 0 | 111.3 | M152 N180 C202 | M152-L178 HydrophobicContact CE-CB 4.04Å; M152-L178 HydrophobicContact CE-CD1 4.33Å; L178-N180 PolarHBondContact O-N 3.39Å; L178-C202 HydrophobicContact CD1-CB 4.24Å | ||
| 179 | S | 62.6 | Low | 60.3 | Low | 76 Ų | 76 | 71.6 Ų | 71.6 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | trans | -63.2 | 120.4 | 168 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | S177 G181 | S177-S179 PolarHBondContact O-N 2.66Å; S179-G181 PolarHBondContact O-N 3.42Å | ||
| 180 | N | 51.8 | Low | 60.2 | Low | 133 Ų | 133 | 69.7 Ų | 69.7 | 71% | 0.711 | 46% | 0.463 | S | S | * | . | trans | -55.8 | 126.6 | 178.5 | -98.5 | -29.5 | 0 | 0 | 0 | 111.2 | L178 S182 | L178-N180 PolarHBondContact O-N 3.39Å; N180-S182 VanDerWaalsContact C-N 3.3Å; N180-S182 PolarHBondContact O-N 3.04Å | ||
| 181 | G | 42.7 | Very low | 60.2 | Low | 88 Ų | 88 | 72.8 Ų | 72.8 | 91% | 0.907 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -74.1 | 64.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S179 | S179-G181 PolarHBondContact O-N 3.42Š|
| 182 | S | 38.7 | Very low | 60.7 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | trans | -152.4 | 134.7 | 159.7 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | N180 T184 | N180-S182 VanDerWaalsContact C-N 3.3Å; N180-S182 PolarHBondContact O-N 3.04Å; S182-T184 PolarHBondContact O-N 3.06Å | ||
| 183 | A | 41.3 | Very low | 61.1 | Low | 111 Ų | 111 | 69.7 Ų | 69.7 | 92% | 0.917 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -75 | 14.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 184 | T | 34.1 | Very low | 61.4 | Low | 123 Ų | 123 | 69.8 Ų | 69.8 | 76% | 0.755 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -147 | 59.6 | -166.8 | 56.2 | 0 | 0 | 0 | 0 | 114 | S182 | S182-T184 PolarHBondContact O-N 3.06Š|
| 185 | S | 36.3 | Very low | 61.4 | Low | 98 Ų | 98 | 73.2 Ų | 73.2 | 69% | 0.685 | 49% | 0.487 | S | S | * | . | trans | -168.5 | 145.6 | 147.1 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | G187 | S185-G187 PolarHBondContact O-N 2.82Š| ||
| 186 | T | 36.2 | Very low | 61.2 | Low | 156 Ų | 156 | 74.1 Ų | 74.1 | 96% | 0.957 | 49% | 0.494 | S | S | * | . | trans | -80.5 | 59 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | S188 | T186-S188 PolarHBondContact O-N 2.82Š| ||
| 187 | G | 44.5 | Very low | 61 | Low | 48 Ų | 48 | 74.7 Ų | 74.7 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | trans | -90.4 | 70.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S185 L189 | S185-G187 PolarHBondContact O-N 2.82Å; G187-L189 PolarHBondContact O-N 2.88Å | ||
| 188 | S | 54.2 | Low | 60.8 | Low | 98 Ų | 98 | 79 Ų | 79 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | trans | 34.5 | 77.8 | 162.2 | 63.3 | 0 | 0 | 0 | 0 | 117.7 | T186 | T186-S188 PolarHBondContact O-N 2.82Š| ||
| 189 | L | 60.8 | Low | 61.2 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 41% | 0.414 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 149.2 | 156.5 | -133 | 74 | 0 | 0 | 0 | 109.7 | G187 V195 | G187-L189 PolarHBondContact O-N 2.88Å; L189-V195 HydrophobicContact CD2-CG2 3.43Å; L189-V195 VanDerWaalsContact CD2-CG2 3.43Å |
| 190 | P | 65.8 | Low | 62.1 | Low | 57 Ų | 57 | 76.9 Ų | 76.9 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 142.6 | 171.8 | -16.6 | 30.7 | 0 | 0 | 0 | 110.8 | A193 F246 | P190-A193 HydrophobicContact CB-CB 3.97Å; P190-A193 HydrophobicContact CG-CB 4.34Å; P190-F246 WeakPolarHBondContact CB-O 3.2Å |
| 191 | H | 68.6 | Low | 63.6 | Low | 114 Ų | 114 | 73 Ų | 73 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 142.5 | 174.7 | -164.6 | -84.6 | 0 | 0 | 0 | 110 | A193 G247 D248 R249 | H191-A193 PolarHBondContact O-N 3.38Å; H191-A193 VanDerWaalsContact O-N 3.17Å; H191-G247 CarbonylContact O-C 3.47Å; H191-G247 WeakPolarHBondContact O-CA 3.23Å; H191-D248 IonicContact CE1-OD2 3.4Å; H191-D248 IonicContact CG-OD2 3.78Å; H191-D248 IonicContact ND1-OD1 2.65Å; H191-D248 IonicContact ND1-OD2 2.71Å; H191-D248 PolarHBondContact ND1-OD2 3.39Å; H191-D248 PolarHBondContact O-N 2.88Å; H191-R249 HydrophobicContact CB-CG 4.48Å |
| 192 | G | 73.5 | Confident | 65.6 | Low | 32 Ų | 32 | 69.5 Ų | 69.5 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -4.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D248 | G192-D248 VanDerWaalsContact CA-OD2 3.3Å; G192-D248 WeakPolarHBondContact CA-OD2 3.39Å; G192-D248 PolarHBondContact N-OD2 3.41Å |
| 193 | A | 80.7 | Confident | 67.6 | Low | 13 Ų | 13 | 67.7 Ų | 67.7 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | trans | -74.3 | 143.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | P190 H191 N243 | P190-A193 HydrophobicContact CB-CB 3.97Å; P190-A193 HydrophobicContact CG-CB 4.34Å; H191-A193 PolarHBondContact O-N 3.38Å; H191-A193 VanDerWaalsContact O-N 3.17Å; A193-N243 WeakPolarHBondContact CA-O 3.47Å | ||
| 194 | F | 84.4 | Confident | 69.2 | Low | 32 Ų | 32 | 63.9 Ų | 63.9 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | trans | -80.3 | 128.9 | -174.5 | -173.9 | -108 | 0 | 0 | 0 | 111.5 | L167 A174 P175 C176 S177 D244 | L167-F194 HydrophobicContact CD2-CE1 3.6Å; L167-F194 HydrophobicContact CD2-CZ 3.72Å; A174-F194 HydrophobicContact CB-CD1 4.37Å; P175-F194 WeakPolarHBondContact O-CB 3.21Å; P175-F194 WeakPolarHBondContact O-CD1 3.27Å; C176-F194 HydrophobicContact CB-CD1 4.27Å; S177-F194 PolarHBondContact N-O 2.85Å; F194-D244 HydrophobicContact CB-CB 3.77Å; F194-D244 PolarHBondContact N-O 3.27Å | ||
| 195 | V | 82.4 | Confident | 71.1 | Confident | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | trans | -111.3 | 129.8 | 179.9 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | L189 | L189-V195 HydrophobicContact CD2-CG2 3.43Å; L189-V195 VanDerWaalsContact CD2-CG2 3.43Å | ||
| 196 | C | 83.5 | Confident | 73.3 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 14% | 0.142 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 138 | 178.5 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | C154 | C154-C196 VanDerWaalsContact CA-SG 3.51Å; C154-C196 HydrophobicContact CB-CB 3.83Å; C154-C196 WeakPolarHBondContact CB-SG 3.42Å; C154-C196 WeakPolarHBondContact SG-CA 3.14Å; C154-C196 WeakPolarHBondContact SG-CB 3.23Å; C154-C196 CovalentContact SG-SG 2.04Å; C154-C196 PolarHBondContact SG-SG 2.97Å |
| 197 | P | 81.8 | Confident | 75.4 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 161.6 | 174.8 | 24.2 | -30.6 | 0 | 0 | 0 | 111.4 | P168 Y200 | P168-P197 HydrophobicContact CG-CG 4.33Å; P197-Y200 HydrophobicContact CG-CD2 3.78Å; P197-Y200 HydrophobicContact CG-CE2 4.33Å; P197-Y200 HydrophobicContact CG-CG 4.2Å; P197-Y200 WeakPolarHBondContact O-CB 3.36Å; P197-Y200 PolarHBondContact O-N 2.84Å |
| 198 | P | 78.7 | Confident | 77.4 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 75% | 0.753 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 145.8 | 175.8 | 23.5 | -34.3 | 0 | 0 | 0 | 111.4 | Y200 | P198-Y200 VanDerWaalsContact C-N 3.26Å; P198-Y200 PolarHBondContact O-N 2.43Å |
| 199 | N | 82.6 | Confident | 78.9 | Confident | 97 Ų | 97 | 50.3 Ų | 50.3 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 4.4 | -169.2 | -49.6 | -22.1 | 0 | 0 | 0 | 115.9 | L157 Y158 | L157-N199 WeakPolarHBondContact CB-O 3.46Å; L157-N199 PolarHBondContact N-O 2.6Å; Y158-N199 HydrophobicContact CE2-CB 4.16Å |
| 200 | Y | 82.1 | Confident | 80.2 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.2 | 171.9 | -67.5 | -105.3 | 0 | 0 | 0 | 112 | C154 F155 D156 P164 P168 P197 P198 | C154-Y200 HydrophobicContact CB-CD1 4.3Å; F155-Y200 CarbonylContact O-C 3.35Å; F155-Y200 VanDerWaalsContact O-CA 3.24Å; F155-Y200 WeakPolarHBondContact O-CA 3.44Å; D156-Y200 HydrophobicContact CB-CE1 4.47Å; P164-Y200 HydrophobicContact CB-CE1 4.13Å; P164-Y200 HydrophobicContact CG-CD1 4.35Å; P164-Y200 HydrophobicContact CG-CE1 3.94Å; P168-Y200 HydrophobicContact CG-CE2 3.63Å; P197-Y200 HydrophobicContact CG-CD2 3.78Å; P197-Y200 HydrophobicContact CG-CE2 4.33Å; P197-Y200 HydrophobicContact CG-CG 4.2Å; P197-Y200 WeakPolarHBondContact O-CB 3.36Å; P197-Y200 PolarHBondContact O-N 2.84Å; P198-Y200 VanDerWaalsContact C-N 3.26Å; P198-Y200 PolarHBondContact O-N 2.43Å |
| 201 | V | 82.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.1 | -178.2 | 60 | 0 | 0 | 0 | 0 | 111.5 | F155 K203 | F155-V201 HydrophobicContact CB-CG1 4.43Å; F155-V201 PolarHBondContact N-O 3.28Å; F155-V201 PolarHBondContact O-N 2.86Å; V201-K203 HydrophobicContact CG1-CD 4.45Å; V201-K203 HydrophobicContact CG1-CG 4.33Å; V201-K203 PolarHBondContact O-N 2.82Å |
| 202 | C | 84 | Confident | 81.8 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.095 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.6 | -179.8 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | T153 C176 L178 | T153-C202 CarbonylContact O-C 3.53Å; T153-C202 WeakPolarHBondContact O-CA 3.23Å; C176-C202 HydrophobicContact CB-CB 4.06Å; C176-C202 WeakPolarHBondContact CB-SG 3.04Å; C176-C202 PolarHBondContact O-SG 3.31Å; C176-C202 VanDerWaalsContact O-SG 3.32Å; C176-C202 WeakPolarHBondContact SG-CA 3.08Å; C176-C202 WeakPolarHBondContact SG-CB 3.42Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 3.04Å; L178-C202 HydrophobicContact CD1-CB 4.24Å |
| 203 | K | 80.5 | Confident | 82.5 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.1 | -179.9 | -61.4 | -179.2 | 179.6 | -179.4 | 0 | 112.7 | M152 T153 F155 P160 V201 Y205 | M152-K203 WeakPolarHBondContact CA-O 3.3Å; T153-K203 PolarHBondContact N-O 2.68Å; T153-K203 PolarHBondContact O-N 3.42Å; F155-K203 HydrophobicContact CB-CD 4.22Å; F155-K203 HydrophobicContact CD2-CB 3.69Å; F155-K203 HydrophobicContact CD2-CD 4.24Å; F155-K203 HydrophobicContact CD2-CG 4.3Å; F155-K203 HydrophobicContact CE2-CB 4.04Å; F155-K203 HydrophobicContact CG-CB 4.43Å; F155-K203 HydrophobicContact CG-CD 4.18Å; P160-K203 PolarHBondContact O-NZ 3.08Å; V201-K203 HydrophobicContact CG1-CD 4.45Å; V201-K203 HydrophobicContact CG1-CG 4.33Å; V201-K203 PolarHBondContact O-N 2.82Å; K203-Y205 HydrophobicContact CB-CD2 4.01Å; K203-Y205 HydrophobicContact CB-CE2 4.43Å; K203-Y205 HydrophobicContact CD-CD2 4.09Å; K203-Y205 HydrophobicContact CD-CE2 4.14Å; K203-Y205 PolarHBondContact O-N 2.81Å |
| 204 | G | 74.9 | Confident | 82.9 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -89.2 | 32.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | H151 Q1140 | H151-G204 CarbonylContact O-C 3.59Å; H151-G204 VanDerWaalsContact O-C 3.22Å; H151-G204 VanDerWaalsContact O-CA 3.25Å; H151-G204 WeakPolarHBondContact O-CA 3.05Å; G204-Q1140 PolarHBondContact O-NE2 2.74Å |
| 205 | Y | 74.7 | Confident | 83.1 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | trans | -100.1 | 3.9 | -175.3 | -65.8 | -69.9 | 0 | 0 | 0 | 114.8 | K203 K1143 Y1145 | K203-Y205 HydrophobicContact CB-CD2 4.01Å; K203-Y205 HydrophobicContact CB-CE2 4.43Å; K203-Y205 HydrophobicContact CD-CD2 4.09Å; K203-Y205 HydrophobicContact CD-CE2 4.14Å; K203-Y205 PolarHBondContact O-N 2.81Å; Y205-K1143 PolarHBondContact OH-O 3.47Å; Y205-K1143 VanDerWaalsContact OH-O 3.12Å; Y205-Y1145 HydrophobicContact CE2-CE2 4.44Å; Y205-Y1145 WeakPolarHBondContact OH-CE2 2.96Å; Y205-Y1145 VanDerWaalsContact OH-CZ 3.31Å; Y205-Y1145 PolarHBondContact OH-OH 2.97Å; Y205-Y1145 VanDerWaalsContact OH-OH 3.07Å | ||
| 206 | W | 81.7 | Confident | 83.5 | Confident | 23 Ų | 23 | 39 Ų | 39 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | trans | -89.6 | 141.9 | -176.9 | -177.2 | 41.3 | 0 | 0 | 0 | 112.2 | H151 T153 L163 L173 P175 G208 P209 | H151-W206 WeakPolarHBondContact CA-O 3.41Å; H151-W206 WeakPolarHBondContact CB-O 3.31Å; H151-W206 PolarHBondContact ND1-O 2.98Å; H151-W206 PolarHBondContact O-N 3.04Å; H151-W206 VanDerWaalsContact O-N 3.17Å; T153-W206 HydrophobicContact CG2-CB 3.54Å; T153-W206 HydrophobicContact CG2-CD2 3.97Å; T153-W206 HydrophobicContact CG2-CE3 4.07Å; T153-W206 HydrophobicContact CG2-CG 3.8Å; L163-W206 HydrophobicContact CD1-CB 4.46Å; L173-W206 HydrophobicContact CB-CH2 4.07Å; L173-W206 HydrophobicContact CB-CZ2 3.59Å; L173-W206 WeakPolarHBondContact O-CH2 3.16Å; P175-W206 HydrophobicContact CG-CZ3 4.13Å; W206-G208 VanDerWaalsContact CE2-C 3.48Å; W206-G208 VanDerWaalsContact CZ2-C 3.42Å; W206-G208 WeakPolarHBondContact CZ2-O 3.46Å; W206-G208 PolarHBondContact O-N 2.73Å; W206-P209 HydrophobicContact CH2-CB 4.02Å; W206-P209 HydrophobicContact CH2-CG 4.46Å; W206-P209 HydrophobicContact CZ2-CB 4.45Å | ||
| 207 | E | 81.2 | Confident | 83.8 | Confident | 118 Ų | 118 | 38.6 Ų | 38.6 | 55% | 0.551 | 20% | 0.204 | S | C | * | . | trans | -63.8 | -29.6 | 175.1 | -59.5 | -173.4 | 146.3 | 0 | 0 | 112.2 | H151 G212 | H151-E207 PolarHBondContact CE1-O 3.15Å; H151-E207 VanDerWaalsContact CE1-O 3.29Å; H151-E207 PolarHBondContact ND1-O 3.26Å; E207-G212 WeakPolarHBondContact O-CA 3.44Å | ||
| 208 | G | 85.9 | Confident | 84.1 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | 116 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | W206 G212 | W206-G208 VanDerWaalsContact CE2-C 3.48Å; W206-G208 VanDerWaalsContact CZ2-C 3.42Å; W206-G208 WeakPolarHBondContact CZ2-O 3.46Å; W206-G208 PolarHBondContact O-N 2.73Å; G208-G212 PolarHBondContact O-N 3.31Å; G208-G212 VanDerWaalsContact O-N 3.12Å | ||
| 209 | P | 86.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 8% | 0.078 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 151.2 | -179.4 | 24.9 | -32 | 0 | 0 | 0 | 111.6 | F150 W206 Y211 G212 T214 | F150-P209 HydrophobicContact CB-CG 4.42Å; F150-P209 HydrophobicContact CD2-CG 4.4Å; F150-P209 HydrophobicContact CG-CG 4.41Å; W206-P209 HydrophobicContact CH2-CB 4.02Å; W206-P209 HydrophobicContact CH2-CG 4.46Å; W206-P209 HydrophobicContact CZ2-CB 4.45Å; P209-Y211 PolarHBondContact O-N 2.72Å; P209-G212 PolarHBondContact O-N 3.34Å; P209-T214 PolarHBondContact O-OG1 3.18Å |
| 210 | N | 87 | Confident | 84.9 | Confident | 46 Ų | 46 | 33.9 Ų | 33.9 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 54.6 | -177.1 | -56.2 | -52.3 | 0 | 0 | 0 | 112.5 | G212 I213 T214 Y593 | N210-G212 PolarHBondContact O-N 3.43Å; N210-I213 VanDerWaalsContact O-CB 3.24Å; N210-I213 WeakPolarHBondContact O-CB 3.44Å; N210-I213 WeakPolarHBondContact O-CD1 3.42Å; N210-I213 VanDerWaalsContact O-CG1 3.24Å; N210-I213 WeakPolarHBondContact O-CG1 3.24Å; N210-I213 PolarHBondContact O-N 2.77Å; N210-T214 HydrophobicContact CB-CG2 4.23Å; N210-T214 WeakPolarHBondContact ND2-CG2 3.37Å; N210-T214 PolarHBondContact ND2-OG1 2.92Å; N210-Y593 HydrophobicContact CB-CD1 4.41Å; N210-Y593 HydrophobicContact CB-CD2 3.91Å; N210-Y593 HydrophobicContact CB-CE1 4.27Å; N210-Y593 HydrophobicContact CB-CE2 3.74Å; N210-Y593 HydrophobicContact CB-CG 4.25Å; N210-Y593 VanDerWaalsContact CG-CE2 3.41Å |
| 211 | Y | 85.5 | Confident | 85.3 | Confident | 98 Ų | 98 | 33.8 Ų | 33.8 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 37 | 179.9 | -41.6 | -79.9 | 0 | 0 | 0 | 113.2 | P209 I213 R597 V602 | P209-Y211 PolarHBondContact O-N 2.72Å; Y211-I213 PolarHBondContact O-N 3.12Å; Y211-R597 PolarHBondContact OH-NH1 3.33Å; Y211-V602 WeakPolarHBondContact O-CG2 3.47Å |
| 212 | G | 83.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 6.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E207 G208 P209 N210 | E207-G212 WeakPolarHBondContact O-CA 3.44Å; G208-G212 PolarHBondContact O-N 3.31Å; G208-G212 VanDerWaalsContact O-N 3.12Å; P209-G212 PolarHBondContact O-N 3.34Å; N210-G212 PolarHBondContact O-N 3.43Å |
| 213 | I | 88.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -40.1 | -176.9 | -58.7 | 166.2 | 0 | 0 | 0 | 111.2 | N210 Y211 S215 L224 Y593 I596 V602 | N210-I213 VanDerWaalsContact O-CB 3.24Å; N210-I213 WeakPolarHBondContact O-CB 3.44Å; N210-I213 WeakPolarHBondContact O-CD1 3.42Å; N210-I213 VanDerWaalsContact O-CG1 3.24Å; N210-I213 WeakPolarHBondContact O-CG1 3.24Å; N210-I213 PolarHBondContact O-N 2.77Å; Y211-I213 PolarHBondContact O-N 3.12Å; I213-S215 PolarHBondContact O-N 3.47Å; I213-S215 VanDerWaalsContact O-N 3.12Å; I213-L224 HydrophobicContact CG2-CD2 4.3Å; I213-Y593 HydrophobicContact CB-CD1 4.28Å; I213-Y593 HydrophobicContact CD1-CD1 4.05Å; I213-Y593 HydrophobicContact CD1-CG 4.35Å; I213-Y593 HydrophobicContact CG2-CD1 3.98Å; I213-Y593 HydrophobicContact CG2-CE1 4.2Å; I213-I596 HydrophobicContact CD1-CB 3.79Å; I213-I596 HydrophobicContact CD1-CD1 4.02Å; I213-I596 HydrophobicContact CD1-CG2 3.73Å; I213-I596 HydrophobicContact CG1-CD1 4.4Å; I213-I596 HydrophobicContact CG1-CG2 4.03Å; I213-I596 HydrophobicContact CG2-CD1 3.8Å; I213-V602 HydrophobicContact CG1-CG2 3.68Å |
| 214 | T | 89.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -85.1 | 82.6 | 178.5 | 45.1 | 0 | 0 | 0 | 0 | 111 | F150 P209 N210 T225 I238 Y593 | F150-T214 WeakPolarHBondContact CD2-O 3.37Å; P209-T214 PolarHBondContact O-OG1 3.18Å; N210-T214 HydrophobicContact CB-CG2 4.23Å; N210-T214 WeakPolarHBondContact ND2-CG2 3.37Å; N210-T214 PolarHBondContact ND2-OG1 2.92Å; T214-T225 HydrophobicContact CG2-CG2 4.28Å; T214-I238 HydrophobicContact CG2-CD1 4.43Å; T214-Y593 HydrophobicContact CG2-CE1 3.96Å; T214-Y593 WeakPolarHBondContact CG2-OH 3.3Å |
| 215 | S | 88.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | trans | -141.2 | 159.8 | -178.6 | 113.1 | 0 | 0 | 0 | 0 | 115 | I213 D217 Y221 A222 | I213-S215 PolarHBondContact O-N 3.47Å; I213-S215 VanDerWaalsContact O-N 3.12Å; S215-D217 WeakPolarHBondContact CB-OD2 3.34Å; S215-D217 WeakPolarHBondContact OG-CB 3.47Å; S215-D217 VanDerWaalsContact OG-CG 3.22Å; S215-D217 PolarHBondContact OG-N 2.66Å; S215-D217 VanDerWaalsContact OG-N 3.14Å; S215-D217 PolarHBondContact OG-OD2 2.68Å; S215-Y221 CarbonylContact O-C 3.59Å; S215-Y221 VanDerWaalsContact O-CB 3.31Å; S215-Y221 WeakPolarHBondContact O-CB 3.37Å; S215-A222 PolarHBondContact O-N 2.83Å | ||
| 216 | F | 90.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | trans | -106.5 | 25.6 | 174.3 | -67.9 | -75.9 | 0 | 0 | 0 | 112 | L143 Y146 S147 F150 A222 V226 I238 Y254 | L143-F216 WeakPolarHBondContact CD1-O 3.36Å; Y146-F216 HydrophobicContact CD2-CD2 4.01Å; Y146-F216 AromaticContact CD2-CE2 3.98Å; Y146-F216 HydrophobicContact CD2-CE2 3.98Å; Y146-F216 HydrophobicContact CD2-CG 4.49Å; Y146-F216 HydrophobicContact CD2-CZ 4.43Å; Y146-F216 HydrophobicContact CG-CD2 4.27Å; S147-F216 WeakPolarHBondContact CA-O 3.39Å; S147-F216 WeakPolarHBondContact CB-O 3.36Å; F150-F216 AromaticContact CE2-CD2 3.69Å; F150-F216 HydrophobicContact CE2-CD2 3.69Å; F150-F216 HydrophobicContact CE2-CE2 4.08Å; F150-F216 HydrophobicContact CZ-CD2 4Å; F150-F216 HydrophobicContact CZ-CE2 4.15Å; F216-A222 HydrophobicContact CD1-CB 3.87Å; F216-V226 HydrophobicContact CE1-CG2 4.18Å; F216-I238 HydrophobicContact CE2-CG2 4.3Å; F216-Y254 HydrophobicContact CZ-CE1 4.4Å | ||
| 217 | D | 88.2 | Confident | 88.9 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -82.7 | -21.5 | -169.4 | -64.3 | -45 | 0 | 0 | 0 | 114.6 | G148 H151 S215 Y1137 H1138 | G148-D217 WeakPolarHBondContact CA-OD1 3.03Å; G148-D217 PolarHBondContact N-OD1 3.4Å; H151-D217 IonicContact CE1-OD2 3.11Å; H151-D217 IonicContact NE2-OD1 2.67Å; H151-D217 IonicContact NE2-OD2 3.71Å; H151-D217 PolarHBondContact NE2-OD2 3.39Å; S215-D217 WeakPolarHBondContact CB-OD2 3.34Å; S215-D217 WeakPolarHBondContact OG-CB 3.47Å; S215-D217 VanDerWaalsContact OG-CG 3.22Å; S215-D217 PolarHBondContact OG-N 2.66Å; S215-D217 VanDerWaalsContact OG-N 3.14Å; S215-D217 PolarHBondContact OG-OD2 2.68Å; D217-Y1137 CarbonylContact O-C 3.22Å; D217-Y1137 WeakPolarHBondContact O-CA 3.26Å; D217-H1138 HydrophobicContact CB-CB 3.88Å; D217-H1138 PolarHBondContact O-N 3.12Å |
| 218 | N | 88.7 | Confident | 89.4 | Confident | 52 Ų | 52 | 21.8 Ų | 21.8 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -145.2 | 165 | 170 | 66.5 | 62.6 | 0 | 0 | 0 | 109.4 | G220 Y221 A222 | N218-G220 PolarHBondContact O-N 3.05Å; N218-G220 VanDerWaalsContact O-N 3.16Å; N218-G220 VanDerWaalsContact OD1-CA 3.3Å; N218-G220 WeakPolarHBondContact OD1-CA 3.1Å; N218-G220 PolarHBondContact OD1-N 3.42Å; N218-Y221 WeakPolarHBondContact ND2-CD2 3.33Å; N218-Y221 VanDerWaalsContact ND2-CE2 3.3Å; N218-Y221 WeakPolarHBondContact ND2-CE2 2.91Å; N218-Y221 PolarHBondContact O-N 2.87Å; N218-Y221 PolarHBondContact OD1-N 2.75Å; N218-A222 VanDerWaalsContact O-CB 3.24Å; N218-A222 WeakPolarHBondContact O-CB 3.5Å; N218-A222 PolarHBondContact O-N 2.82Å |
| 219 | I | 90 | Very high | 89.7 | Confident | 36 Ų | 36 | 21.8 Ų | 21.8 | 19% | 0.185 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -27.3 | -178.4 | -170.4 | 61.5 | 0 | 0 | 0 | 113.7 | A139 I140 L143 M223 M1134 | A139-I219 HydrophobicContact CB-CD1 3.93Å; I140-I219 HydrophobicContact CG1-CD1 3.9Å; L143-I219 HydrophobicContact CD2-CB 4.29Å; L143-I219 HydrophobicContact CD2-CD1 4.47Å; I219-M223 HydrophobicContact CD1-CG 4.19Å; I219-M223 HydrophobicContact CD1-SD 4.41Å; I219-M223 HydrophobicContact CG1-CG 4.3Å; I219-M223 HydrophobicContact CG1-SD 4.07Å; I219-M223 VanDerWaalsContact O-CB 3.28Å; I219-M223 WeakPolarHBondContact O-CB 3.47Å; I219-M223 WeakPolarHBondContact O-CG 3.46Å; I219-M223 PolarHBondContact O-N 3.32Å; I219-M1134 HydrophobicContact CB-CB 4.34Å; I219-M1134 HydrophobicContact CD1-CG 4.26Å; I219-M1134 HydrophobicContact CG1-CB 4.13Å; I219-M1134 HydrophobicContact CG1-CG 4Å; I219-M1134 HydrophobicContact CG2-CB 4.31Å; I219-M1134 WeakPolarHBondContact CG2-O 3.25Å |
| 220 | G | 88.6 | Confident | 89.9 | Confident | 41 Ų | 41 | 22.2 Ų | 22.2 | 42% | 0.423 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -68.3 | -55.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N218 A222 M223 L224 | N218-G220 PolarHBondContact O-N 3.05Å; N218-G220 VanDerWaalsContact O-N 3.16Å; N218-G220 VanDerWaalsContact OD1-CA 3.3Å; N218-G220 WeakPolarHBondContact OD1-CA 3.1Å; N218-G220 PolarHBondContact OD1-N 3.42Å; G220-A222 VanDerWaalsContact C-N 3.35Å; G220-M223 PolarHBondContact O-N 2.77Å; G220-L224 PolarHBondContact O-N 3.39Å |
| 221 | Y | 90.2 | Very high | 90 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 14% | 0.137 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.9 | -33.7 | 176.8 | -58.5 | -44.7 | 0 | 0 | 0 | 112 | S215 N218 M223 L224 T225 V602 A607 | S215-Y221 CarbonylContact O-C 3.59Å; S215-Y221 VanDerWaalsContact O-CB 3.31Å; S215-Y221 WeakPolarHBondContact O-CB 3.37Å; N218-Y221 WeakPolarHBondContact ND2-CD2 3.33Å; N218-Y221 VanDerWaalsContact ND2-CE2 3.3Å; N218-Y221 WeakPolarHBondContact ND2-CE2 2.91Å; N218-Y221 PolarHBondContact O-N 2.87Å; N218-Y221 PolarHBondContact OD1-N 2.75Å; Y221-M223 VanDerWaalsContact C-N 3.32Å; Y221-M223 PolarHBondContact O-N 2.77Å; Y221-L224 PolarHBondContact O-N 2.91Å; Y221-T225 WeakPolarHBondContact O-CB 3.44Å; Y221-T225 WeakPolarHBondContact O-CG2 3.31Å; Y221-T225 PolarHBondContact O-N 3.08Å; Y221-T225 PolarHBondContact O-OG1 2.78Å; Y221-V602 HydrophobicContact CE2-CG1 3.78Å; Y221-V602 WeakPolarHBondContact OH-CG1 3.42Å; Y221-V602 PolarHBondContact OH-O 2.88Å; Y221-A607 HydrophobicContact CE1-CB 3.78Å; Y221-A607 WeakPolarHBondContact OH-CB 3.02Å |
| 222 | A | 92 | Very high | 90 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63 | -35.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A139 L143 S215 F216 N218 G220 T225 V226 | A139-A222 HydrophobicContact CB-CB 3.99Å; A139-A222 WeakPolarHBondContact CB-O 3.37Å; L143-A222 HydrophobicContact CB-CB 4.44Å; S215-A222 PolarHBondContact O-N 2.83Å; F216-A222 HydrophobicContact CD1-CB 3.87Å; N218-A222 VanDerWaalsContact O-CB 3.24Å; N218-A222 WeakPolarHBondContact O-CB 3.5Å; N218-A222 PolarHBondContact O-N 2.82Å; G220-A222 VanDerWaalsContact C-N 3.35Å; A222-T225 WeakPolarHBondContact CA-OG1 3.46Å; A222-T225 PolarHBondContact O-OG1 3.04Å; A222-V226 VanDerWaalsContact O-CB 3.27Å; A222-V226 WeakPolarHBondContact O-CB 3.4Å; A222-V226 WeakPolarHBondContact O-CG2 3.27Å; A222-V226 PolarHBondContact O-N 3.42Å |
| 223 | M | 91.6 | Very high | 90.2 | Very high | 54 Ų | 54 | 17.5 Ų | 17.5 | 27% | 0.266 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -74.1 | -34.7 | 172.9 | -77.5 | 179.5 | 60.6 | 0 | 0 | 112.4 | L132 I135 I136 A139 I219 G220 Y221 F227 | L132-M223 HydrophobicContact CD1-CE 3.86Å; I135-M223 HydrophobicContact CG2-CB 4.22Å; I135-M223 HydrophobicContact CG2-CE 4.23Å; I135-M223 HydrophobicContact CG2-CG 4.06Å; I136-M223 HydrophobicContact CG1-CE 4.18Å; I136-M223 HydrophobicContact CG1-SD 4.09Å; A139-M223 HydrophobicContact CB-CB 4.42Å; A139-M223 HydrophobicContact CB-CG 3.65Å; I219-M223 HydrophobicContact CD1-CG 4.19Å; I219-M223 HydrophobicContact CD1-SD 4.41Å; I219-M223 HydrophobicContact CG1-CG 4.3Å; I219-M223 HydrophobicContact CG1-SD 4.07Å; I219-M223 VanDerWaalsContact O-CB 3.28Å; I219-M223 WeakPolarHBondContact O-CB 3.47Å; I219-M223 WeakPolarHBondContact O-CG 3.46Å; I219-M223 PolarHBondContact O-N 3.32Å; G220-M223 PolarHBondContact O-N 2.77Å; Y221-M223 VanDerWaalsContact C-N 3.32Å; Y221-M223 PolarHBondContact O-N 2.77Å; M223-F227 VanDerWaalsContact O-CB 3.26Å; M223-F227 WeakPolarHBondContact O-CB 3.16Å; M223-F227 PolarHBondContact O-N 2.94Å |
| 224 | L | 91.8 | Very high | 90 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.8 | -45.3 | 178.6 | -172.4 | 62.7 | 0 | 0 | 0 | 112 | I213 G220 Y221 F227 Q228 M592 V614 | I213-L224 HydrophobicContact CG2-CD2 4.3Å; G220-L224 PolarHBondContact O-N 3.39Å; Y221-L224 PolarHBondContact O-N 2.91Å; L224-F227 WeakPolarHBondContact O-CB 3.44Å; L224-F227 PolarHBondContact O-N 2.96Å; L224-Q228 PolarHBondContact O-N 3.43Å; L224-M592 HydrophobicContact CD1-CE 4.27Å; L224-M592 HydrophobicContact CD1-SD 3.93Å; L224-M592 HydrophobicContact CD2-CE 4.09Å; L224-M592 HydrophobicContact CD2-SD 4.21Å; L224-M592 HydrophobicContact CG-CE 4.22Å; L224-M592 HydrophobicContact CG-SD 4.42Å; L224-V614 HydrophobicContact CD1-CG2 4.05Å |
| 225 | T | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.3 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | T214 Y221 A222 Q228 C229 | T214-T225 HydrophobicContact CG2-CG2 4.28Å; Y221-T225 WeakPolarHBondContact O-CB 3.44Å; Y221-T225 WeakPolarHBondContact O-CG2 3.31Å; Y221-T225 PolarHBondContact O-N 3.08Å; Y221-T225 PolarHBondContact O-OG1 2.78Å; A222-T225 WeakPolarHBondContact CA-OG1 3.46Å; A222-T225 PolarHBondContact O-OG1 3.04Å; T225-Q228 PolarHBondContact O-N 2.86Å; T225-C229 PolarHBondContact O-N 3.04Å; T225-C229 PolarHBondContact O-SG 3.49Å |
| 226 | V | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 173 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | I135 F138 A139 F216 A222 C229 I230 Y254 L258 | I135-V226 HydrophobicContact CB-CG1 4.37Å; I135-V226 HydrophobicContact CG1-CG1 4.37Å; I135-V226 HydrophobicContact CG2-CG1 4.1Å; F138-V226 HydrophobicContact CB-CG1 3.89Å; F138-V226 HydrophobicContact CB-CG2 4.23Å; A139-V226 HydrophobicContact CB-CG2 4.34Å; F216-V226 HydrophobicContact CE1-CG2 4.18Å; A222-V226 VanDerWaalsContact O-CB 3.27Å; A222-V226 WeakPolarHBondContact O-CB 3.4Å; A222-V226 WeakPolarHBondContact O-CG2 3.27Å; A222-V226 PolarHBondContact O-N 3.42Å; V226-C229 PolarHBondContact O-N 3.21Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 WeakPolarHBondContact O-CB 3.39Å; V226-I230 VanDerWaalsContact O-CG1 3.3Å; V226-I230 WeakPolarHBondContact O-CG1 3.42Å; V226-I230 PolarHBondContact O-N 2.95Å; V226-Y254 WeakPolarHBondContact CG2-OH 3.45Å; V226-L258 HydrophobicContact CG1-CD1 4.12Å |
| 227 | F | 91.7 | Very high | 90 | Very high | 30 Ų | 30 | 19.2 Ų | 19.2 | 13% | 0.132 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 172.7 | 174.8 | -99 | 0 | 0 | 0 | 111.5 | I135 M223 L224 I230 T231 W588 V614 M617 V618 | I135-F227 HydrophobicContact CD1-CD2 4.44Å; M223-F227 VanDerWaalsContact O-CB 3.26Å; M223-F227 WeakPolarHBondContact O-CB 3.16Å; M223-F227 PolarHBondContact O-N 2.94Å; L224-F227 WeakPolarHBondContact O-CB 3.44Å; L224-F227 PolarHBondContact O-N 2.96Å; F227-I230 PolarHBondContact O-N 2.86Å; F227-I230 VanDerWaalsContact O-N 3.11Å; F227-T231 HydrophobicContact CE1-CG2 4.01Å; F227-T231 HydrophobicContact CE2-CG2 4.44Å; F227-T231 HydrophobicContact CZ-CG2 3.96Å; F227-T231 PolarHBondContact O-N 2.9Å; F227-W588 AromaticContact CD1-CH2 3.79Å; F227-W588 HydrophobicContact CD1-CH2 3.79Å; F227-W588 HydrophobicContact CD1-CZ2 4.34Å; F227-W588 AromaticContact CE1-CH2 3.6Å; F227-W588 HydrophobicContact CE1-CH2 3.6Å; F227-W588 HydrophobicContact CE1-CZ2 4.06Å; F227-W588 HydrophobicContact CE1-CZ3 4.27Å; F227-V614 HydrophobicContact CD1-CG2 4.11Å; F227-V614 HydrophobicContact CE1-CB 4.36Å; F227-V614 HydrophobicContact CE1-CG1 4.07Å; F227-V614 HydrophobicContact CE1-CG2 3.9Å; F227-V614 HydrophobicContact CE2-CG1 4.44Å; F227-V614 HydrophobicContact CZ-CG1 4.01Å; F227-M617 HydrophobicContact CZ-CG 4.32Å; F227-V618 HydrophobicContact CE2-CG2 3.88Å; F227-V618 HydrophobicContact CZ-CG2 3.83Å |
| 228 | Q | 92.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 174.4 | 178.8 | -179.2 | -13.9 | 0 | 0 | 111.7 | L224 T225 I230 T231 E233 I238 W588 N589 Y593 | L224-Q228 PolarHBondContact O-N 3.43Å; T225-Q228 PolarHBondContact O-N 2.86Å; Q228-I230 PolarHBondContact O-N 3.49Å; Q228-T231 PolarHBondContact O-N 2.81Å; Q228-T231 PolarHBondContact O-OG1 3.38Å; Q228-E233 VanDerWaalsContact CG-O 3.25Å; Q228-E233 WeakPolarHBondContact CG-O 3.17Å; Q228-E233 PolarHBondContact NE2-O 3.31Å; Q228-I238 HydrophobicContact CG-CD1 4.44Å; Q228-W588 HydrophobicContact CB-CH2 4.45Å; Q228-W588 HydrophobicContact CB-CZ2 4.28Å; Q228-W588 HydrophobicContact CG-CZ2 4.31Å; Q228-N589 HydrophobicContact CG-CB 4.4Å; Q228-N589 PolarHBondContact NE2-ND2 2.79Å; Q228-Y593 PolarHBondContact NE2-OH 3.19Å; Q228-Y593 PolarHBondContact OE1-OH 3.48Å |
| 229 | C | 92.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.4 | -36.6 | 175.2 | -64 | 0 | 0 | 0 | 0 | 112.4 | T225 V226 M232 W235 L258 I259 | T225-C229 PolarHBondContact O-N 3.04Å; T225-C229 PolarHBondContact O-SG 3.49Å; V226-C229 PolarHBondContact O-N 3.21Å; C229-M232 WeakPolarHBondContact O-CA 3.41Å; C229-M232 PolarHBondContact O-N 2.89Å; C229-M232 VanDerWaalsContact O-N 3.1Å; C229-W235 HydrophobicContact CB-CB 4.2Å; C229-L258 HydrophobicContact CB-CD2 3.67Å; C229-L258 HydrophobicContact CB-CG 4.29Å; C229-I259 WeakPolarHBondContact O-CD1 3.21Å |
| 230 | I | 90.6 | Very high | 90.4 | Very high | 22 Ų | 22 | 15.6 Ų | 15.6 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -73 | -26.5 | 179.4 | -75.9 | 168.1 | 0 | 0 | 0 | 113.1 | I135 V226 F227 Q228 M232 L258 G262 S263 | I135-I230 HydrophobicContact CD1-CD1 4.42Å; I135-I230 HydrophobicContact CG1-CD1 3.63Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 WeakPolarHBondContact O-CB 3.39Å; V226-I230 VanDerWaalsContact O-CG1 3.3Å; V226-I230 WeakPolarHBondContact O-CG1 3.42Å; V226-I230 PolarHBondContact O-N 2.95Å; F227-I230 PolarHBondContact O-N 2.86Å; F227-I230 VanDerWaalsContact O-N 3.11Å; Q228-I230 PolarHBondContact O-N 3.49Å; I230-M232 PolarHBondContact O-N 2.79Å; I230-L258 HydrophobicContact CD1-CD1 3.96Å; I230-L258 HydrophobicContact CG1-CD1 3.87Å; I230-G262 WeakPolarHBondContact CG2-O 3.47Å; I230-S263 WeakPolarHBondContact O-CB 3.36Å; I230-S263 PolarHBondContact O-OG 2.77Å |
| 231 | T | 88.6 | Confident | 90.4 | Very high | 30 Ų | 30 | 14.7 Ų | 14.7 | 18% | 0.184 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.4 | 168.4 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | F227 Q228 E233 W588 M617 | F227-T231 HydrophobicContact CE1-CG2 4.01Å; F227-T231 HydrophobicContact CE2-CG2 4.44Å; F227-T231 HydrophobicContact CZ-CG2 3.96Å; F227-T231 PolarHBondContact O-N 2.9Å; Q228-T231 PolarHBondContact O-N 2.81Å; Q228-T231 PolarHBondContact O-OG1 3.38Å; T231-E233 PolarHBondContact O-N 3.42Å; T231-W588 HydrophobicContact CG2-CZ2 3.83Å; T231-W588 WeakPolarHBondContact OG1-CZ2 3.05Å; T231-W588 PolarHBondContact OG1-NE1 3.46Å; T231-M617 HydrophobicContact CG2-CE 3.72Å; T231-M617 HydrophobicContact CG2-CG 4.13Å |
| 232 | M | 87.1 | Confident | 90.4 | Very high | 11 Ų | 11 | 13 Ų | 13 | 5% | 0.054 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 2.5 | -169.2 | -55 | -174.8 | -67.7 | 0 | 0 | 115.1 | C229 I230 I259 S263 F264 T1313 S2127 Q2132 | C229-M232 WeakPolarHBondContact O-CA 3.41Å; C229-M232 PolarHBondContact O-N 2.89Å; C229-M232 VanDerWaalsContact O-N 3.1Å; I230-M232 PolarHBondContact O-N 2.79Å; M232-I259 HydrophobicContact CG-CG2 4.41Å; M232-I259 HydrophobicContact SD-CG2 4.35Å; M232-S263 VanDerWaalsContact CG-OG 3.24Å; M232-S263 WeakPolarHBondContact CG-OG 3.45Å; M232-F264 HydrophobicContact CE-CE1 4.42Å; M232-F264 HydrophobicContact SD-CD1 4.31Å; M232-F264 HydrophobicContact SD-CE1 3.81Å; M232-F264 HydrophobicContact SD-CZ 4.17Å; M232-T1313 HydrophobicContact SD-CG2 3.99Å; M232-S2127 WeakPolarHBondContact CE-OG 3.46Å; M232-Q2132 VanDerWaalsContact O-CD 3.27Å; M232-Q2132 PolarHBondContact O-NE2 3.47Å; M232-Q2132 PolarHBondContact O-OE1 2.8Å; M232-Q2132 VanDerWaalsContact O-OE1 3.1Å |
| 233 | E | 86.1 | Confident | 90.2 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.037 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 121.1 | -178.2 | -163.2 | 69.2 | 179 | 0 | 0 | 113.2 | Q228 T231 W235 D587 N589 Q2132 | Q228-E233 VanDerWaalsContact CG-O 3.25Å; Q228-E233 WeakPolarHBondContact CG-O 3.17Å; Q228-E233 PolarHBondContact NE2-O 3.31Å; T231-E233 PolarHBondContact O-N 3.42Å; E233-W235 PolarHBondContact O-N 2.72Å; E233-D587 PolarHBondContact OE1-N 2.71Å; E233-N589 WeakPolarHBondContact CG-OD1 3.45Å; E233-Q2132 WeakPolarHBondContact OE2-CG 3.09Å; E233-Q2132 PolarHBondContact OE2-OE1 3.43Å |
| 234 | G | 84.8 | Confident | 90 | Very high | 6 Ų | 6 | 11 Ų | 11 | 6% | 0.062 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 27.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 235 | W | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -74.8 | -27.3 | -177.3 | 72.9 | -81.2 | 0 | 0 | 0 | 112.4 | C229 E233 E237 I238 M239 F255 I259 L1306 F1309 T1313 E1315 | C229-W235 HydrophobicContact CB-CB 4.2Å; E233-W235 PolarHBondContact O-N 2.72Å; W235-E237 VanDerWaalsContact C-N 3.3Å; W235-E237 PolarHBondContact O-N 3.06Å; W235-I238 PolarHBondContact O-N 3.33Å; W235-M239 HydrophobicContact CH2-CE 4.33Å; W235-M239 HydrophobicContact CZ3-CE 3.95Å; W235-M239 HydrophobicContact CZ3-SD 3.85Å; W235-M239 PolarHBondContact O-N 3.46Å; W235-M239 VanDerWaalsContact O-N 3.12Å; W235-F255 HydrophobicContact CE3-CB 4.15Å; W235-F255 HydrophobicContact CZ3-CB 4.07Å; W235-I259 HydrophobicContact CB-CD1 4.12Å; W235-I259 HydrophobicContact CD2-CD1 3.79Å; W235-I259 HydrophobicContact CD2-CG1 3.83Å; W235-I259 HydrophobicContact CE3-CD1 4.26Å; W235-I259 HydrophobicContact CE3-CG1 4Å; W235-I259 HydrophobicContact CG-CD1 3.71Å; W235-I259 HydrophobicContact CG-CG1 4.29Å; W235-I259 HydrophobicContact CZ2-CG1 4.49Å; W235-I259 HydrophobicContact CZ3-CG1 4.41Å; W235-L1306 HydrophobicContact CH2-CD1 4.47Å; W235-F1309 AromaticContact CH2-CD1 3.64Å; W235-F1309 HydrophobicContact CH2-CD1 3.64Å; W235-F1309 AromaticContact CH2-CE1 3.68Å; W235-F1309 HydrophobicContact CH2-CE1 3.68Å; W235-F1309 AromaticContact CZ2-CD1 3.68Å; W235-F1309 HydrophobicContact CZ2-CD1 3.68Å; W235-F1309 AromaticContact CZ2-CE1 3.68Å; W235-F1309 HydrophobicContact CZ2-CE1 3.68Å; W235-T1313 PolarHBondContact NE1-OG1 2.74Å; W235-E1315 PolarHBondContact N-OE1 3.17Å; W235-E1315 PolarHBondContact NE1-OE2 3.28Å |
| 236 | T | 90.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.9 | -31.2 | 176.8 | 58.1 | 0 | 0 | 0 | 0 | 112 | I238 M239 Y240 R1310 E1315 | T236-I238 PolarHBondContact O-N 3.28Å; T236-M239 HydrophobicContact CG2-CE 4.12Å; T236-M239 CarbonylContact O-C 3.58Å; T236-M239 WeakPolarHBondContact O-CB 3.47Å; T236-M239 PolarHBondContact O-N 2.85Å; T236-M239 VanDerWaalsContact O-N 3.17Å; T236-Y240 WeakPolarHBondContact O-CB 3.16Å; T236-Y240 WeakPolarHBondContact O-CD2 3.15Å; T236-Y240 PolarHBondContact O-N 2.75Å; T236-R1310 HydrophobicContact CG2-CB 4.24Å; T236-R1310 HydrophobicContact CG2-CG 3.9Å; T236-R1310 PolarHBondContact OG1-NE 2.88Å; T236-R1310 VanDerWaalsContact OG1-NE 3.15Å; T236-E1315 WeakPolarHBondContact CB-OE1 3.45Å; T236-E1315 WeakPolarHBondContact CG2-OE2 3.29Å; T236-E1315 PolarHBondContact N-OE1 2.97Å; T236-E1315 VanDerWaalsContact N-OE1 3.08Å; T236-E1315 PolarHBondContact OG1-OE1 3.41Å; T236-E1315 PolarHBondContact OG1-OE2 3.36Å |
| 237 | E | 87.8 | Confident | 88.7 | Confident | 40 Ų | 40 | 15 Ų | 15 | 19% | 0.187 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.9 | -49.7 | -167.3 | 147.3 | 0 | 0 | 112.2 | W235 M239 Y240 S241 N2135 | W235-E237 VanDerWaalsContact C-N 3.3Å; W235-E237 PolarHBondContact O-N 3.06Å; E237-M239 VanDerWaalsContact C-N 3.35Å; E237-Y240 PolarHBondContact O-N 3.13Å; E237-S241 WeakPolarHBondContact O-CB 3.3Å; E237-S241 PolarHBondContact O-N 2.83Å; E237-S241 PolarHBondContact O-OG 3.23Å; E237-N2135 WeakPolarHBondContact OE1-CB 3.13Å; E237-N2135 PolarHBondContact OE1-ND2 2.99Å; E237-N2135 PolarHBondContact OE2-ND2 3.12Å |
| 238 | I | 91.7 | Very high | 88.3 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 173.9 | -57.5 | 174.1 | 0 | 0 | 0 | 109.6 | T214 F216 Q228 W235 T236 T242 F255 | T214-I238 HydrophobicContact CG2-CD1 4.43Å; F216-I238 HydrophobicContact CE2-CG2 4.3Å; Q228-I238 HydrophobicContact CG-CD1 4.44Å; W235-I238 PolarHBondContact O-N 3.33Å; T236-I238 PolarHBondContact O-N 3.28Å; I238-T242 WeakPolarHBondContact O-CB 3.06Å; I238-T242 PolarHBondContact O-N 2.88Å; I238-T242 PolarHBondContact O-OG1 3.43Å; I238-F255 HydrophobicContact CB-CE1 4.33Å; I238-F255 HydrophobicContact CG2-CE1 3.86Å; I238-F255 HydrophobicContact CG2-CZ 3.93Å |
| 239 | M | 91.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 174.1 | -179.5 | -179.2 | 65.6 | 0 | 0 | 112.4 | W235 T236 E237 T242 N243 F255 L1306 | W235-M239 HydrophobicContact CH2-CE 4.33Å; W235-M239 HydrophobicContact CZ3-CE 3.95Å; W235-M239 HydrophobicContact CZ3-SD 3.85Å; W235-M239 PolarHBondContact O-N 3.46Å; W235-M239 VanDerWaalsContact O-N 3.12Å; T236-M239 HydrophobicContact CG2-CE 4.12Å; T236-M239 CarbonylContact O-C 3.58Å; T236-M239 WeakPolarHBondContact O-CB 3.47Å; T236-M239 PolarHBondContact O-N 2.85Å; T236-M239 VanDerWaalsContact O-N 3.17Å; E237-M239 VanDerWaalsContact C-N 3.35Å; M239-T242 CarbonylContact O-C 3.54Å; M239-T242 WeakPolarHBondContact O-CA 3.03Å; M239-T242 WeakPolarHBondContact O-CB 3.3Å; M239-T242 PolarHBondContact O-N 3.05Å; M239-T242 VanDerWaalsContact O-N 3.08Å; M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.23Å; M239-F255 HydrophobicContact CB-CD1 4.27Å; M239-F255 HydrophobicContact CB-CD2 3.74Å; M239-F255 HydrophobicContact CB-CE1 4.48Å; M239-F255 HydrophobicContact CB-CE2 4Å; M239-F255 HydrophobicContact CB-CG 3.91Å; M239-F255 HydrophobicContact CB-CZ 4.37Å; M239-F255 HydrophobicContact CG-CB 4.42Å; M239-F255 HydrophobicContact CG-CD2 3.67Å; M239-F255 HydrophobicContact CG-CE2 4.19Å; M239-F255 HydrophobicContact CG-CG 4.11Å; M239-F255 HydrophobicContact SD-CB 4.17Å; M239-F255 HydrophobicContact SD-CD2 4.43Å; M239-F255 HydrophobicContact SD-CG 4.49Å; M239-L1306 HydrophobicContact CE-CD1 4.16Å; M239-L1306 HydrophobicContact CE-CD2 3.83Å; M239-L1306 HydrophobicContact CE-CG 4.2Å; M239-L1306 HydrophobicContact SD-CD1 4.46Å; M239-L1306 HydrophobicContact SD-CD2 4.4Å |
| 240 | Y | 90.1 | Very high | 87.2 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 8% | 0.078 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.4 | -59.5 | -32.1 | 0 | 0 | 0 | 111.1 | T236 E237 T242 N243 D244 H1295 N1296 | T236-Y240 WeakPolarHBondContact O-CB 3.16Å; T236-Y240 WeakPolarHBondContact O-CD2 3.15Å; T236-Y240 PolarHBondContact O-N 2.75Å; E237-Y240 PolarHBondContact O-N 3.13Å; Y240-T242 PolarHBondContact O-N 3.46Å; Y240-N243 WeakPolarHBondContact O-CA 3.44Å; Y240-N243 WeakPolarHBondContact O-CB 3.39Å; Y240-N243 PolarHBondContact O-N 3.23Å; Y240-D244 PolarHBondContact O-N 3.31Å; Y240-H1295 HydrophobicContact CD1-CB 3.37Å; Y240-H1295 AromaticContact CD1-CG 3.83Å; Y240-H1295 HydrophobicContact CE1-CB 3.49Å; Y240-H1295 VanDerWaalsContact CE1-CB 3.49Å; Y240-H1295 HydrophobicContact CG-CB 4.08Å; Y240-N1296 WeakPolarHBondContact OH-CB 3.41Å |
| 241 | S | 88.7 | Confident | 87 | Confident | 22 Ų | 22 | 29 Ų | 29 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -34.6 | 172 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | P175 E237 A245 | P175-S241 WeakPolarHBondContact CG-O 3.25Å; E237-S241 WeakPolarHBondContact O-CB 3.3Å; E237-S241 PolarHBondContact O-N 2.83Å; E237-S241 PolarHBondContact O-OG 3.23Å; S241-A245 PolarHBondContact O-N 3.33Å |
| 242 | T | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.2 | -35.3 | 175.6 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | Y146 I238 M239 Y240 A245 F246 N251 F255 | Y146-T242 HydrophobicContact CD1-CG2 3.59Å; Y146-T242 HydrophobicContact CD2-CG2 4.37Å; Y146-T242 HydrophobicContact CE1-CG2 3.25Å; Y146-T242 HydrophobicContact CE2-CG2 4.11Å; Y146-T242 HydrophobicContact CG-CG2 4.13Å; I238-T242 WeakPolarHBondContact O-CB 3.06Å; I238-T242 PolarHBondContact O-N 2.88Å; I238-T242 PolarHBondContact O-OG1 3.43Å; M239-T242 CarbonylContact O-C 3.54Å; M239-T242 WeakPolarHBondContact O-CA 3.03Å; M239-T242 WeakPolarHBondContact O-CB 3.3Å; M239-T242 PolarHBondContact O-N 3.05Å; M239-T242 VanDerWaalsContact O-N 3.08Å; Y240-T242 PolarHBondContact O-N 3.46Å; T242-A245 PolarHBondContact O-N 3.29Å; T242-F246 HydrophobicContact CG2-CD2 4.12Å; T242-F246 PolarHBondContact O-N 3.37Å; T242-N251 HydrophobicContact CG2-CB 4.46Å; T242-N251 WeakPolarHBondContact CG2-OD1 3.3Å; T242-N251 PolarHBondContact O-ND2 2.93Å; T242-N251 VanDerWaalsContact O-ND2 3.1Å; T242-F255 HydrophobicContact CG2-CE2 4.36Å |
| 243 | N | 89 | Confident | 86.9 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 171.9 | -67.1 | -6.8 | 0 | 0 | 0 | 110.9 | A193 M239 Y240 A245 G247 N251 H1295 | A193-N243 WeakPolarHBondContact CA-O 3.47Å; M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.23Å; Y240-N243 WeakPolarHBondContact O-CA 3.44Å; Y240-N243 WeakPolarHBondContact O-CB 3.39Å; Y240-N243 PolarHBondContact O-N 3.23Å; N243-A245 VanDerWaalsContact C-N 3.34Å; N243-A245 PolarHBondContact O-N 2.98Å; N243-G247 WeakPolarHBondContact O-CA 3.21Å; N243-G247 PolarHBondContact O-N 2.92Å; N243-N251 WeakPolarHBondContact CA-ND2 3.46Å; N243-N251 PolarHBondContact N-ND2 2.83Å; N243-N251 WeakPolarHBondContact OD1-CB 3.49Å; N243-N251 PolarHBondContact OD1-ND2 2.96Å; N243-H1295 VanDerWaalsContact CB-CE1 3.44Å; N243-H1295 WeakPolarHBondContact CB-CE1 3.36Å; N243-H1295 PolarHBondContact ND2-ND1 3.03Å |
| 244 | D | 87.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 178.9 | -65.1 | -34 | 0 | 0 | 0 | 112.1 | R170 P175 F194 Y240 H1295 | R170-D244 IonicContact CZ-OD1 3.25Å; R170-D244 IonicContact CZ-OD2 2.6Å; R170-D244 VanDerWaalsContact CZ-OD2 3.26Å; R170-D244 IonicContact NH1-OD1 2.71Å; R170-D244 IonicContact NH1-OD2 2.67Å; R170-D244 PolarHBondContact NH1-OD2 3.08Å; R170-D244 IonicContact NH2-OD1 3.86Å; R170-D244 PolarHBondContact NH2-OD1 2.98Å; R170-D244 IonicContact NH2-OD2 2.88Å; R170-D244 PolarHBondContact NH2-OD2 3.36Å; P175-D244 HydrophobicContact CB-CB 4.34Å; F194-D244 HydrophobicContact CB-CB 3.77Å; F194-D244 PolarHBondContact N-O 3.27Å; Y240-D244 PolarHBondContact O-N 3.31Å; D244-H1295 IonicContact OD1-CD2 3.05Å; D244-H1295 IonicContact OD1-CE1 2.78Å; D244-H1295 IonicContact OD1-NE2 3.51Å; D244-H1295 PolarHBondContact OD1-NE2 3.26Å |
| 245 | A | 85.2 | Confident | 87.5 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.9 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P175 S177 S241 T242 N243 | P175-A245 HydrophobicContact CB-CB 3.82Å; S177-A245 PolarHBondContact OG-O 2.94Å; S241-A245 PolarHBondContact O-N 3.33Å; T242-A245 PolarHBondContact O-N 3.29Å; N243-A245 VanDerWaalsContact C-N 3.34Å; N243-A245 PolarHBondContact O-N 2.98Å |
| 246 | F | 82.5 | Confident | 87.3 | Confident | 89 Ų | 89 | 38.9 Ų | 38.9 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -118.4 | -11.5 | -165 | -65.1 | -76.8 | 0 | 0 | 0 | 115.6 | Y146 P190 T242 | Y146-F246 AromaticContact CD1-CD2 3.79Å; Y146-F246 HydrophobicContact CD1-CD2 3.79Å; Y146-F246 AromaticContact CD1-CE2 3.67Å; Y146-F246 HydrophobicContact CD1-CE2 3.67Å; Y146-F246 HydrophobicContact CD1-CZ 4.39Å; Y146-F246 HydrophobicContact CE1-CD2 4.19Å; Y146-F246 HydrophobicContact CE1-CE2 4.5Å; Y146-F246 HydrophobicContact CG-CE2 4.49Å; P190-F246 WeakPolarHBondContact CB-O 3.2Å; T242-F246 HydrophobicContact CG2-CD2 4.12Å; T242-F246 PolarHBondContact O-N 3.37Å |
| 247 | G | 83 | Confident | 87.1 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | trans | 97.4 | 158.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H191 N243 N251 | H191-G247 CarbonylContact O-C 3.47Å; H191-G247 WeakPolarHBondContact O-CA 3.23Å; N243-G247 WeakPolarHBondContact O-CA 3.21Å; N243-G247 PolarHBondContact O-N 2.92Å; G247-N251 PolarHBondContact O-ND2 3.28Å | ||
| 248 | D | 82.5 | Confident | 87.3 | Confident | 50 Ų | 50 | 39.2 Ų | 39.2 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -66.1 | -37.5 | -172.8 | 49.8 | 33.5 | 0 | 0 | 0 | 114.5 | H191 G192 F250 | H191-D248 IonicContact CE1-OD2 3.4Å; H191-D248 IonicContact CG-OD2 3.78Å; H191-D248 IonicContact ND1-OD1 2.65Å; H191-D248 IonicContact ND1-OD2 2.71Å; H191-D248 PolarHBondContact ND1-OD2 3.39Å; H191-D248 PolarHBondContact O-N 2.88Å; G192-D248 VanDerWaalsContact CA-OD2 3.3Å; G192-D248 WeakPolarHBondContact CA-OD2 3.39Å; G192-D248 PolarHBondContact N-OD2 3.41Å; D248-F250 VanDerWaalsContact C-N 3.25Å; D248-F250 PolarHBondContact O-N 2.64Å |
| 249 | R | 79 | Confident | 87.1 | Confident | 154 Ų | 154 | 39 Ų | 39 | 58% | 0.581 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -57.5 | -19.9 | -157 | -59.5 | -168.4 | 172.3 | 167.9 | -3 | 118.1 | H191 Y252 | H191-R249 HydrophobicContact CB-CG 4.48Å; R249-Y252 WeakPolarHBondContact O-CE1 3.23Å |
| 250 | F | 83.2 | Confident | 86.7 | Confident | 139 Ų | 139 | 41.3 Ų | 41.3 | 61% | 0.61 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -133.5 | -17 | -171.5 | -62.8 | -60.7 | 0 | 0 | 0 | 115 | D248 Y252 L253 | D248-F250 VanDerWaalsContact C-N 3.25Å; D248-F250 PolarHBondContact O-N 2.64Å; F250-Y252 VanDerWaalsContact C-N 3.34Å; F250-Y252 PolarHBondContact O-N 2.97Å; F250-L253 HydrophobicContact CD1-CD1 4.12Å; F250-L253 VanDerWaalsContact O-CB 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.35Å; F250-L253 PolarHBondContact O-N 3.32Å |
| 251 | N | 87.1 | Confident | 86.2 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33 | -171.2 | -66.9 | -30.2 | 0 | 0 | 0 | 113.2 | Y146 T242 N243 G247 L253 Y254 F255 | Y146-N251 PolarHBondContact OH-OD1 3.45Å; T242-N251 HydrophobicContact CG2-CB 4.46Å; T242-N251 WeakPolarHBondContact CG2-OD1 3.3Å; T242-N251 PolarHBondContact O-ND2 2.93Å; T242-N251 VanDerWaalsContact O-ND2 3.1Å; N243-N251 WeakPolarHBondContact CA-ND2 3.46Å; N243-N251 PolarHBondContact N-ND2 2.83Å; N243-N251 WeakPolarHBondContact OD1-CB 3.49Å; N243-N251 PolarHBondContact OD1-ND2 2.96Å; G247-N251 PolarHBondContact O-ND2 3.28Å; N251-L253 PolarHBondContact O-N 3.3Å; N251-L253 VanDerWaalsContact O-N 3.11Å; N251-Y254 WeakPolarHBondContact O-CA 3.34Å; N251-Y254 WeakPolarHBondContact O-CB 3.45Å; N251-Y254 PolarHBondContact O-N 2.88Å; N251-F255 HydrophobicContact CB-CD2 4.31Å; N251-F255 HydrophobicContact CB-CE2 4.38Å; N251-F255 WeakPolarHBondContact O-CD2 3.37Å; N251-F255 PolarHBondContact O-N 3.32Å; N251-F255 VanDerWaalsContact O-N 3.07Å |
| 252 | Y | 86.8 | Confident | 85.6 | Confident | 116 Ų | 116 | 42.2 Ų | 42.2 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.3 | -23.9 | 174.6 | 73.5 | -91.3 | 0 | 0 | 0 | 112.8 | R249 F250 Y254 V256 P257 | R249-Y252 WeakPolarHBondContact O-CE1 3.23Å; F250-Y252 VanDerWaalsContact C-N 3.34Å; F250-Y252 PolarHBondContact O-N 2.97Å; Y252-Y254 VanDerWaalsContact C-N 3.26Å; Y252-Y254 PolarHBondContact O-N 3.18Å; Y252-V256 VanDerWaalsContact O-CB 3.32Å; Y252-V256 WeakPolarHBondContact O-CB 3.35Å; Y252-V256 PolarHBondContact O-N 3.4Å; Y252-P257 WeakPolarHBondContact O-CD 3.47Å |
| 253 | L | 86.6 | Confident | 85 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 53% | 0.529 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74 | -13.8 | 174 | -58.1 | 173.1 | 0 | 0 | 0 | 113.5 | F250 N251 P257 | F250-L253 HydrophobicContact CD1-CD1 4.12Å; F250-L253 VanDerWaalsContact O-CB 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.35Å; F250-L253 PolarHBondContact O-N 3.32Å; N251-L253 PolarHBondContact O-N 3.3Å; N251-L253 VanDerWaalsContact O-N 3.11Å; L253-P257 WeakPolarHBondContact O-CD 3.47Å; L253-P257 WeakPolarHBondContact O-CG 3.46Å |
| 254 | Y | 89.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -92.8 | -55.3 | 167.7 | 179.5 | -96.6 | 0 | 0 | 0 | 110.4 | F138 I141 Y146 F216 V226 N251 Y252 L258 | F138-Y254 HydrophobicContact CD1-CE2 4.09Å; F138-Y254 PolarHBondContact O-OH 3.44Å; I141-Y254 HydrophobicContact CB-CE2 4.17Å; I141-Y254 HydrophobicContact CG2-CD2 3.93Å; I141-Y254 HydrophobicContact CG2-CE2 3.77Å; Y146-Y254 HydrophobicContact CE2-CD1 4.1Å; Y146-Y254 HydrophobicContact CE2-CE1 4.37Å; Y146-Y254 HydrophobicContact CE2-CG 4.2Å; F216-Y254 HydrophobicContact CZ-CE1 4.4Å; V226-Y254 WeakPolarHBondContact CG2-OH 3.45Å; N251-Y254 WeakPolarHBondContact O-CA 3.34Å; N251-Y254 WeakPolarHBondContact O-CB 3.45Å; N251-Y254 PolarHBondContact O-N 2.88Å; Y252-Y254 VanDerWaalsContact C-N 3.26Å; Y252-Y254 PolarHBondContact O-N 3.18Å; Y254-L258 HydrophobicContact CE1-CD2 3.94Å; Y254-L258 VanDerWaalsContact O-CB 3.27Å; Y254-L258 WeakPolarHBondContact O-CB 3.37Å; Y254-L258 PolarHBondContact O-N 2.91Å; Y254-L258 VanDerWaalsContact O-N 3.09Å |
| 255 | F | 92 | Very high | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.2 | -45.9 | -171.6 | -69.2 | -79.4 | 0 | 0 | 0 | 113.9 | W235 I238 M239 T242 N251 L258 I259 | W235-F255 HydrophobicContact CE3-CB 4.15Å; W235-F255 HydrophobicContact CZ3-CB 4.07Å; I238-F255 HydrophobicContact CB-CE1 4.33Å; I238-F255 HydrophobicContact CG2-CE1 3.86Å; I238-F255 HydrophobicContact CG2-CZ 3.93Å; M239-F255 HydrophobicContact CB-CD1 4.27Å; M239-F255 HydrophobicContact CB-CD2 3.74Å; M239-F255 HydrophobicContact CB-CE1 4.48Å; M239-F255 HydrophobicContact CB-CE2 4Å; M239-F255 HydrophobicContact CB-CG 3.91Å; M239-F255 HydrophobicContact CB-CZ 4.37Å; M239-F255 HydrophobicContact CG-CB 4.42Å; M239-F255 HydrophobicContact CG-CD2 3.67Å; M239-F255 HydrophobicContact CG-CE2 4.19Å; M239-F255 HydrophobicContact CG-CG 4.11Å; M239-F255 HydrophobicContact SD-CB 4.17Å; M239-F255 HydrophobicContact SD-CD2 4.43Å; M239-F255 HydrophobicContact SD-CG 4.49Å; T242-F255 HydrophobicContact CG2-CE2 4.36Å; N251-F255 HydrophobicContact CB-CD2 4.31Å; N251-F255 HydrophobicContact CB-CE2 4.38Å; N251-F255 WeakPolarHBondContact O-CD2 3.37Å; N251-F255 PolarHBondContact O-N 3.32Å; N251-F255 VanDerWaalsContact O-N 3.07Å; F255-L258 WeakPolarHBondContact O-CA 3.47Å; F255-L258 WeakPolarHBondContact O-CB 3.07Å; F255-L258 PolarHBondContact O-N 3.17Å; F255-L258 VanDerWaalsContact O-N 3.08Å; F255-I259 WeakPolarHBondContact O-CG1 3.35Å; F255-I259 PolarHBondContact O-N 3.39Å |
| 256 | V | 89.2 | Confident | 82.8 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | -177.5 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | Y252 L258 I259 I260 L1306 F1309 | Y252-V256 VanDerWaalsContact O-CB 3.32Å; Y252-V256 WeakPolarHBondContact O-CB 3.35Å; Y252-V256 PolarHBondContact O-N 3.4Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.84Å; V256-I259 PolarHBondContact O-N 3.11Å; V256-I260 HydrophobicContact CG1-CD1 3.73Å; V256-I260 HydrophobicContact CG1-CG1 4.46Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.04Å; V256-L1306 HydrophobicContact CG2-CD1 4.3Å; V256-F1309 HydrophobicContact CG1-CE1 4.37Å; V256-F1309 HydrophobicContact CG1-CE2 4.49Å; V256-F1309 HydrophobicContact CG1-CZ 4.13Å; V256-F1309 HydrophobicContact CG2-CE1 4.39Å |
| 257 | P | 86.2 | Confident | 82.2 | Confident | 48 Ų | 48 | 41 Ų | 41 | 31% | 0.312 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.6 | -28.6 | 170.6 | -26 | 38.7 | 0 | 0 | 0 | 114.3 | Y252 L253 L261 | Y252-P257 WeakPolarHBondContact O-CD 3.47Å; L253-P257 WeakPolarHBondContact O-CD 3.47Å; L253-P257 WeakPolarHBondContact O-CG 3.46Å; P257-L261 WeakPolarHBondContact O-CB 3.45Å; P257-L261 WeakPolarHBondContact O-CG 3.42Å; P257-L261 PolarHBondContact O-N 3.49Å |
| 258 | L | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 173.3 | 173.7 | 59.8 | 0 | 0 | 0 | 111.5 | F138 V226 C229 I230 Y254 F255 V256 G262 S263 | F138-L258 HydrophobicContact CB-CD1 4.05Å; F138-L258 HydrophobicContact CD1-CB 4.36Å; F138-L258 HydrophobicContact CD1-CD1 4.07Å; F138-L258 HydrophobicContact CD2-CD1 3.76Å; F138-L258 HydrophobicContact CE1-CB 4.24Å; F138-L258 HydrophobicContact CE1-CD1 4.44Å; F138-L258 HydrophobicContact CE2-CD1 4.16Å; F138-L258 HydrophobicContact CG-CD1 3.71Å; F138-L258 HydrophobicContact CZ-CD1 4.48Å; V226-L258 HydrophobicContact CG1-CD1 4.12Å; C229-L258 HydrophobicContact CB-CD2 3.67Å; C229-L258 HydrophobicContact CB-CG 4.29Å; I230-L258 HydrophobicContact CD1-CD1 3.96Å; I230-L258 HydrophobicContact CG1-CD1 3.87Å; Y254-L258 HydrophobicContact CE1-CD2 3.94Å; Y254-L258 VanDerWaalsContact O-CB 3.27Å; Y254-L258 WeakPolarHBondContact O-CB 3.37Å; Y254-L258 PolarHBondContact O-N 2.91Å; Y254-L258 VanDerWaalsContact O-N 3.09Å; F255-L258 WeakPolarHBondContact O-CA 3.47Å; F255-L258 WeakPolarHBondContact O-CB 3.07Å; F255-L258 PolarHBondContact O-N 3.17Å; F255-L258 VanDerWaalsContact O-N 3.08Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.84Å; L258-G262 WeakPolarHBondContact O-CA 3.3Å; L258-G262 PolarHBondContact O-N 3.11Å; L258-S263 PolarHBondContact O-N 3.26Å |
| 259 | I | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -64.9 | -48.8 | 174.1 | -58 | -53.6 | 0 | 0 | 0 | 110.6 | C229 M232 W235 F255 V256 S263 F264 F1309 T1313 | C229-I259 WeakPolarHBondContact O-CD1 3.21Å; M232-I259 HydrophobicContact CG-CG2 4.41Å; M232-I259 HydrophobicContact SD-CG2 4.35Å; W235-I259 HydrophobicContact CB-CD1 4.12Å; W235-I259 HydrophobicContact CD2-CD1 3.79Å; W235-I259 HydrophobicContact CD2-CG1 3.83Å; W235-I259 HydrophobicContact CE3-CD1 4.26Å; W235-I259 HydrophobicContact CE3-CG1 4Å; W235-I259 HydrophobicContact CG-CD1 3.71Å; W235-I259 HydrophobicContact CG-CG1 4.29Å; W235-I259 HydrophobicContact CZ2-CG1 4.49Å; W235-I259 HydrophobicContact CZ3-CG1 4.41Å; F255-I259 WeakPolarHBondContact O-CG1 3.35Å; F255-I259 PolarHBondContact O-N 3.39Å; V256-I259 PolarHBondContact O-N 3.11Å; I259-S263 CarbonylContact O-C 3.59Å; I259-S263 WeakPolarHBondContact O-CA 3.35Å; I259-S263 WeakPolarHBondContact O-CB 3.3Å; I259-S263 PolarHBondContact O-N 3.38Å; I259-F264 HydrophobicContact CG2-CD2 4.25Å; I259-F264 HydrophobicContact CG2-CE2 4.11Å; I259-F264 PolarHBondContact O-N 2.78Å; I259-F1309 HydrophobicContact CB-CE1 4.25Å; I259-F1309 HydrophobicContact CB-CZ 4.05Å; I259-F1309 HydrophobicContact CG1-CE1 4.39Å; I259-F1309 HydrophobicContact CG2-CE1 4.2Å; I259-F1309 HydrophobicContact CG2-CZ 3.84Å; I259-T1313 HydrophobicContact CG2-CG2 3.98Å |
| 260 | I | 82.5 | Confident | 80.7 | Confident | 51 Ų | 51 | 33.7 Ų | 33.7 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -67.2 | -40.8 | -176 | -64.7 | 170.8 | 0 | 0 | 0 | 112.8 | V256 F264 F265 F1309 | V256-I260 HydrophobicContact CG1-CD1 3.73Å; V256-I260 HydrophobicContact CG1-CG1 4.46Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.04Å; I260-F264 HydrophobicContact CG1-CD2 4.32Å; I260-F265 WeakPolarHBondContact O-CB 3.49Å; I260-F265 PolarHBondContact O-N 3Å; I260-F1309 HydrophobicContact CD1-CE2 4.49Å; I260-F1309 HydrophobicContact CG1-CE2 4.36Å; I260-F1309 HydrophobicContact CG1-CZ 4.27Å |
| 261 | L | 78.7 | Confident | 80.2 | Confident | 60 Ų | 60 | 27.1 Ų | 27.1 | 31% | 0.314 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -93.8 | -26.3 | -178.2 | -61.3 | 176.2 | 0 | 0 | 0 | 113.9 | P257 F265 R2120 | P257-L261 WeakPolarHBondContact O-CB 3.45Å; P257-L261 WeakPolarHBondContact O-CG 3.42Å; P257-L261 PolarHBondContact O-N 3.49Å; L261-F265 WeakPolarHBondContact O-CD1 3.43Å; L261-R2120 HydrophobicContact CD2-CB 4.03Å; L261-R2120 HydrophobicContact CD2-CG 4.48Å |
| 262 | G | 76.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -96.7 | -45.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I230 L258 M266 | I230-G262 WeakPolarHBondContact CG2-O 3.47Å; L258-G262 WeakPolarHBondContact O-CA 3.3Å; L258-G262 PolarHBondContact O-N 3.11Å; G262-M266 VanDerWaalsContact O-CB 3.25Å; G262-M266 WeakPolarHBondContact O-CB 3.4Å; G262-M266 VanDerWaalsContact O-CG 3.31Å; G262-M266 WeakPolarHBondContact O-CG 3.37Å |
| 263 | S | 79.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -88.4 | -70.1 | 173 | -163.8 | 0 | 0 | 0 | 0 | 111.1 | I230 M232 L258 I259 F265 M266 L267 | I230-S263 WeakPolarHBondContact O-CB 3.36Å; I230-S263 PolarHBondContact O-OG 2.77Å; M232-S263 VanDerWaalsContact CG-OG 3.24Å; M232-S263 WeakPolarHBondContact CG-OG 3.45Å; L258-S263 PolarHBondContact O-N 3.26Å; I259-S263 CarbonylContact O-C 3.59Å; I259-S263 WeakPolarHBondContact O-CA 3.35Å; I259-S263 WeakPolarHBondContact O-CB 3.3Å; I259-S263 PolarHBondContact O-N 3.38Å; S263-F265 PolarHBondContact O-N 2.96Å; S263-M266 PolarHBondContact O-N 2.79Å; S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.11Å |
| 264 | F | 73.8 | Confident | 77.9 | Confident | 15 Ų | 15 | 17.3 Ų | 17.3 | 7% | 0.066 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -55.5 | -61.4 | -171.2 | -73.6 | -42.4 | 0 | 0 | 0 | 110.4 | M232 I259 I260 M266 N268 F1309 T1313 M1357 S2124 | M232-F264 HydrophobicContact CE-CE1 4.42Å; M232-F264 HydrophobicContact SD-CD1 4.31Å; M232-F264 HydrophobicContact SD-CE1 3.81Å; M232-F264 HydrophobicContact SD-CZ 4.17Å; I259-F264 HydrophobicContact CG2-CD2 4.25Å; I259-F264 HydrophobicContact CG2-CE2 4.11Å; I259-F264 PolarHBondContact O-N 2.78Å; I260-F264 HydrophobicContact CG1-CD2 4.32Å; F264-M266 PolarHBondContact O-N 2.87Å; F264-N268 PolarHBondContact O-N 3.31Å; F264-N268 PolarHBondContact O-OD1 2.93Å; F264-F1309 HydrophobicContact CE2-CE2 4.23Å; F264-F1309 HydrophobicContact CE2-CZ 4.39Å; F264-T1313 HydrophobicContact CZ-CG2 4.15Å; F264-M1357 HydrophobicContact CD1-CE 4.05Å; F264-M1357 HydrophobicContact CD2-CE 4.38Å; F264-M1357 HydrophobicContact CE1-CE 3.7Å; F264-M1357 HydrophobicContact CE2-CE 4.06Å; F264-M1357 HydrophobicContact CG-CE 4.4Å; F264-M1357 HydrophobicContact CZ-CE 3.72Å; F264-S2124 WeakPolarHBondContact CA-OG 3.33Å; F264-S2124 WeakPolarHBondContact CB-OG 3.45Å; F264-S2124 WeakPolarHBondContact CD1-OG 3.08Å; F264-S2124 VanDerWaalsContact O-CB 3.25Å; F264-S2124 WeakPolarHBondContact O-CB 3.39Å; F264-S2124 PolarHBondContact O-OG 3.22Å |
| 265 | F | 71.2 | Confident | 76.9 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.035 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.6 | -54.3 | 178.8 | 164.9 | -134.2 | 0 | 0 | 0 | 113.9 | I260 L261 S263 L267 N268 L269 F1252 T2121 | I260-F265 WeakPolarHBondContact O-CB 3.49Å; I260-F265 PolarHBondContact O-N 3Å; L261-F265 WeakPolarHBondContact O-CD1 3.43Å; S263-F265 PolarHBondContact O-N 2.96Å; F265-L267 PolarHBondContact O-N 2.89Å; F265-N268 HydrophobicContact CD2-CB 4.3Å; F265-N268 WeakPolarHBondContact O-CA 3.32Å; F265-N268 WeakPolarHBondContact O-CB 3.21Å; F265-N268 PolarHBondContact O-N 3.05Å; F265-N268 PolarHBondContact O-OD1 3.16Å; F265-L269 HydrophobicContact CE2-CB 4.16Å; F265-L269 HydrophobicContact CE2-CD1 4.09Å; F265-L269 HydrophobicContact CE2-CD2 4.06Å; F265-L269 HydrophobicContact CE2-CG 4.35Å; F265-L269 HydrophobicContact CZ-CD1 4.45Å; F265-L269 HydrophobicContact CZ-CD2 3.78Å; F265-F1252 HydrophobicContact CB-CZ 4.25Å; F265-F1252 AromaticContact CD1-CE1 3.73Å; F265-F1252 HydrophobicContact CD1-CE1 3.73Å; F265-F1252 AromaticContact CD1-CZ 3.73Å; F265-F1252 HydrophobicContact CD1-CZ 3.73Å; F265-F1252 HydrophobicContact CD2-CD1 4.36Å; F265-F1252 AromaticContact CD2-CD2 3.87Å; F265-F1252 HydrophobicContact CD2-CD2 3.87Å; F265-F1252 AromaticContact CD2-CE1 3.64Å; F265-F1252 HydrophobicContact CD2-CE1 3.64Å; F265-F1252 AromaticContact CD2-CE2 3.09Å; F265-F1252 HydrophobicContact CD2-CE2 3.09Å; F265-F1252 HydrophobicContact CD2-CG 4.43Å; F265-F1252 AromaticContact CD2-CZ 2.93Å; F265-F1252 HydrophobicContact CD2-CZ 2.93Å; F265-F1252 AromaticContact CE1-CD1 3.94Å; F265-F1252 HydrophobicContact CE1-CD1 3.94Å; F265-F1252 AromaticContact CE1-CE1 3.41Å; F265-F1252 HydrophobicContact CE1-CE1 3.41Å; F265-F1252 VanDerWaalsContact CE1-CE1 3.41Å; F265-F1252 AromaticContact CE1-CZ 3.8Å; F265-F1252 HydrophobicContact CE1-CZ 3.8Å; F265-F1252 AromaticContact CE2-CD1 3.65Å; F265-F1252 HydrophobicContact CE2-CD1 3.65Å; F265-F1252 AromaticContact CE2-CD2 3.33Å; F265-F1252 HydrophobicContact CE2-CD2 3.33Å; F265-F1252 AromaticContact CE2-CE1 3.37Å; F265-F1252 HydrophobicContact CE2-CE1 3.37Å; F265-F1252 AromaticContact CE2-CE2 3.05Å; F265-F1252 HydrophobicContact CE2-CE2 3.05Å; F265-F1252 AromaticContact CE2-CG 3.61Å; F265-F1252 HydrophobicContact CE2-CG 3.61Å; F265-F1252 AromaticContact CE2-CZ 3.07Å; F265-F1252 HydrophobicContact CE2-CZ 3.07Å; F265-F1252 AromaticContact CG-CE1 3.85Å; F265-F1252 HydrophobicContact CG-CE1 3.85Å; F265-F1252 AromaticContact CG-CE2 3.98Å; F265-F1252 HydrophobicContact CG-CE2 3.98Å; F265-F1252 AromaticContact CG-CZ 3.33Å; F265-F1252 HydrophobicContact CG-CZ 3.33Å; F265-F1252 AromaticContact CZ-CD1 3.38Å; F265-F1252 HydrophobicContact CZ-CD1 3.38Å; F265-F1252 AromaticContact CZ-CD2 3.96Å; F265-F1252 HydrophobicContact CZ-CD2 3.96Å; F265-F1252 AromaticContact CZ-CE1 3.23Å; F265-F1252 HydrophobicContact CZ-CE1 3.23Å; F265-F1252 AromaticContact CZ-CE2 3.86Å; F265-F1252 HydrophobicContact CZ-CE2 3.86Å; F265-F1252 AromaticContact CZ-CG 3.73Å; F265-F1252 HydrophobicContact CZ-CG 3.73Å; F265-F1252 AromaticContact CZ-CZ 3.5Å; F265-F1252 HydrophobicContact CZ-CZ 3.5Å; F265-F1252 VanDerWaalsContact CZ-CZ 3.5Å; F265-T2121 HydrophobicContact CB-CG2 4.47Å; F265-T2121 HydrophobicContact CD2-CG2 4.2Å |
| 266 | M | 69.9 | Low | 75.8 | Confident | 17 Ų | 17 | 17.4 Ų | 17.4 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -35.7 | -167.8 | -68.3 | -60.8 | 174 | 0 | 0 | 112.9 | L130 V131 A134 G262 S263 F264 N268 L269 V270 | L130-M266 HydrophobicContact CG-CE 4.44Å; V131-M266 HydrophobicContact CG2-CB 3.85Å; V131-M266 HydrophobicContact CG2-CG 3.94Å; V131-M266 HydrophobicContact CG2-SD 3.82Å; A134-M266 HydrophobicContact CB-CE 3.56Å; G262-M266 VanDerWaalsContact O-CB 3.25Å; G262-M266 WeakPolarHBondContact O-CB 3.4Å; G262-M266 VanDerWaalsContact O-CG 3.31Å; G262-M266 WeakPolarHBondContact O-CG 3.37Å; S263-M266 PolarHBondContact O-N 2.79Å; F264-M266 PolarHBondContact O-N 2.87Å; M266-N268 VanDerWaalsContact C-N 3.27Å; M266-N268 PolarHBondContact O-N 3.07Å; M266-L269 WeakPolarHBondContact O-CB 3.45Å; M266-L269 PolarHBondContact O-N 2.94Å; M266-L269 VanDerWaalsContact O-N 3.13Å; M266-V270 PolarHBondContact O-N 2.73Å |
| 267 | L | 69.6 | Low | 74.9 | Confident | 40 Ų | 40 | 18 Ų | 18 | 21% | 0.209 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.1 | -139.5 | 175 | 0 | 0 | 0 | 109.7 | S263 F265 L269 V270 L271 T2126 | S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.11Å; F265-L267 PolarHBondContact O-N 2.89Å; L267-L269 PolarHBondContact O-N 3.26Å; L267-L269 VanDerWaalsContact O-N 3.07Å; L267-V270 PolarHBondContact O-N 3Å; L267-L271 HydrophobicContact CD2-CD1 3.26Å; L267-L271 HydrophobicContact CD2-CG 3.9Å; L267-L271 VanDerWaalsContact O-CD1 3.22Å; L267-L271 WeakPolarHBondContact O-CD1 3.43Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.42Å; L267-L271 PolarHBondContact O-N 2.99Å; L267-T2126 WeakPolarHBondContact CD2-OG1 3.44Å |
| 268 | N | 69.6 | Low | 74 | Confident | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -43.7 | -46.8 | 172.2 | -59.4 | 17.7 | 0 | 0 | 0 | 113.4 | F264 F265 M266 L271 G272 T2121 S2123 S2124 | F264-N268 PolarHBondContact O-N 3.31Å; F264-N268 PolarHBondContact O-OD1 2.93Å; F265-N268 HydrophobicContact CD2-CB 4.3Å; F265-N268 WeakPolarHBondContact O-CA 3.32Å; F265-N268 WeakPolarHBondContact O-CB 3.21Å; F265-N268 PolarHBondContact O-N 3.05Å; F265-N268 PolarHBondContact O-OD1 3.16Å; M266-N268 VanDerWaalsContact C-N 3.27Å; M266-N268 PolarHBondContact O-N 3.07Å; N268-L271 WeakPolarHBondContact O-CB 3.07Å; N268-L271 PolarHBondContact O-N 3.32Å; N268-G272 PolarHBondContact O-N 3.48Å; N268-T2121 WeakPolarHBondContact ND2-CG2 3.37Å; N268-S2123 VanDerWaalsContact CA-O 3.26Å; N268-S2123 WeakPolarHBondContact CA-O 3.4Å; N268-S2123 WeakPolarHBondContact CB-OG 3.42Å; N268-S2123 PolarHBondContact ND2-N 3.36Å; N268-S2123 PolarHBondContact ND2-OG 3.5Å; N268-S2123 VanDerWaalsContact OD1-CA 3.28Å; N268-S2123 WeakPolarHBondContact OD1-CA 3.47Å; N268-S2123 PolarHBondContact OD1-N 2.87Å; N268-S2124 PolarHBondContact OD1-N 3.16Å; N268-S2124 VanDerWaalsContact OD1-N 3.13Å; N268-S2124 PolarHBondContact OD1-OG 3.4Å |
| 269 | L | 71.3 | Confident | 72.8 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 7% | 0.073 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -77.3 | -40.5 | -161.9 | -155.8 | 62.1 | 0 | 0 | 0 | 109.4 | I127 L130 F265 M266 L267 L271 V273 I1248 | I127-L269 HydrophobicContact CD1-CB 4.35Å; I127-L269 HydrophobicContact CD1-CG 3.94Å; I127-L269 VanDerWaalsContact CD1-O 3.22Å; I127-L269 WeakPolarHBondContact CD1-O 3.45Å; I127-L269 HydrophobicContact CG1-CD2 4.01Å; I127-L269 HydrophobicContact CG1-CG 3.89Å; I127-L269 HydrophobicContact CG2-CB 4.16Å; I127-L269 HydrophobicContact CG2-CD2 4.12Å; I127-L269 HydrophobicContact CG2-CG 4.29Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; F265-L269 HydrophobicContact CE2-CB 4.16Å; F265-L269 HydrophobicContact CE2-CD1 4.09Å; F265-L269 HydrophobicContact CE2-CD2 4.06Å; F265-L269 HydrophobicContact CE2-CG 4.35Å; F265-L269 HydrophobicContact CZ-CD1 4.45Å; F265-L269 HydrophobicContact CZ-CD2 3.78Å; M266-L269 WeakPolarHBondContact O-CB 3.45Å; M266-L269 PolarHBondContact O-N 2.94Å; M266-L269 VanDerWaalsContact O-N 3.13Å; L267-L269 PolarHBondContact O-N 3.26Å; L267-L269 VanDerWaalsContact O-N 3.07Å; L269-L271 VanDerWaalsContact C-N 3.27Å; L269-L271 PolarHBondContact O-N 2.81Å; L269-V273 PolarHBondContact O-N 2.95Å; L269-I1248 HydrophobicContact CD1-CG2 4.06Å; L269-I1248 HydrophobicContact CD2-CG2 3.6Å; L269-I1248 HydrophobicContact CG-CG2 4.06Å |
| 270 | V | 73 | Confident | 71.8 | Confident | 36 Ų | 36 | 19.8 Ų | 19.8 | 22% | 0.218 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.6 | -46 | 168.8 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | L124 I127 M266 L267 L274 L625 | L124-V270 HydrophobicContact CD1-CG1 4.44Å; L124-V270 HydrophobicContact CD2-CB 4.11Å; L124-V270 HydrophobicContact CD2-CG1 3.82Å; L124-V270 HydrophobicContact CD2-CG2 4.35Å; I127-V270 HydrophobicContact CG2-CG2 3.8Å; M266-V270 PolarHBondContact O-N 2.73Å; L267-V270 PolarHBondContact O-N 3Å; V270-L274 HydrophobicContact CG1-CD1 4.04Å; V270-L274 WeakPolarHBondContact O-CB 3.09Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.26Å; V270-L625 HydrophobicContact CG1-CD2 3.96Å |
| 271 | L | 71.3 | Confident | 71 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.8 | -44.4 | -174.5 | -72.8 | 159.4 | 0 | 0 | 0 | 114.3 | L267 N268 L269 V273 L274 S275 L625 L629 I1365 S2123 F2125 | L267-L271 HydrophobicContact CD2-CD1 3.26Å; L267-L271 HydrophobicContact CD2-CG 3.9Å; L267-L271 VanDerWaalsContact O-CD1 3.22Å; L267-L271 WeakPolarHBondContact O-CD1 3.43Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.42Å; L267-L271 PolarHBondContact O-N 2.99Å; N268-L271 WeakPolarHBondContact O-CB 3.07Å; N268-L271 PolarHBondContact O-N 3.32Å; L269-L271 VanDerWaalsContact C-N 3.27Å; L269-L271 PolarHBondContact O-N 2.81Å; L271-V273 VanDerWaalsContact C-N 3.28Å; L271-V273 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 3Å; L271-S275 VanDerWaalsContact O-CB 3.23Å; L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 3.34Å; L271-L625 HydrophobicContact CD2-CD1 3.29Å; L271-L625 HydrophobicContact CD2-CD2 3.67Å; L271-L625 HydrophobicContact CD2-CG 4.02Å; L271-L625 HydrophobicContact CG-CD2 4.25Å; L271-L629 HydrophobicContact CD2-CD1 4.28Å; L271-I1365 HydrophobicContact CB-CD1 4.3Å; L271-S2123 WeakPolarHBondContact CD1-O 3.46Å; L271-F2125 HydrophobicContact CB-CB 4.35Å; L271-F2125 VanDerWaalsContact CD1-CA 3.4Å; L271-F2125 HydrophobicContact CD1-CB 3.22Å; L271-F2125 HydrophobicContact CD2-CB 3.91Å; L271-F2125 HydrophobicContact CG-CB 4.04Å |
| 272 | G | 71.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | N268 G276 L1372 | N268-G272 PolarHBondContact O-N 3.48Å; G272-G276 PolarHBondContact O-N 3.18Å; G272-L1372 WeakPolarHBondContact O-CD1 3.27Å |
| 273 | V | 69.8 | Low | 69.8 | Low | 15 Ų | 15 | 21.1 Ų | 21.1 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 177.6 | 159 | 0 | 0 | 0 | 0 | 112 | P123 L124 I127 L269 L271 G276 E277 L1372 | P123-V273 HydrophobicContact CB-CG1 3.91Å; P123-V273 HydrophobicContact CG-CG1 3.86Å; L124-V273 HydrophobicContact CD2-CB 4.17Å; L124-V273 HydrophobicContact CD2-CG1 3.79Å; L124-V273 HydrophobicContact CG-CG1 4.08Å; I127-V273 HydrophobicContact CD1-CB 3.73Å; I127-V273 HydrophobicContact CD1-CG1 4.22Å; I127-V273 HydrophobicContact CD1-CG2 3.44Å; I127-V273 VanDerWaalsContact CD1-CG2 3.44Å; L269-V273 PolarHBondContact O-N 2.95Å; L271-V273 VanDerWaalsContact C-N 3.28Å; L271-V273 PolarHBondContact O-N 3.29Å; V273-G276 PolarHBondContact O-N 3.13Å; V273-E277 PolarHBondContact O-N 2.89Å; V273-L1372 HydrophobicContact CG2-CD1 4.34Å; V273-L1372 HydrophobicContact CG2-CD2 3.78Å |
| 274 | L | 71.3 | Confident | 69.2 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.7 | -78.3 | 179.7 | 0 | 0 | 0 | 112 | A120 L124 V270 L271 G276 E277 F278 Y622 L625 N626 L629 | A120-L274 HydrophobicContact CB-CD2 3.71Å; L124-L274 HydrophobicContact CD1-CD1 4.16Å; L124-L274 HydrophobicContact CD1-CD2 3.61Å; L124-L274 HydrophobicContact CD1-CG 3.81Å; L124-L274 HydrophobicContact CD2-CG 4.34Å; L124-L274 HydrophobicContact CG-CD2 4.31Å; L124-L274 HydrophobicContact CG-CG 4.4Å; V270-L274 HydrophobicContact CG1-CD1 4.04Å; V270-L274 WeakPolarHBondContact O-CB 3.09Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.26Å; L271-L274 PolarHBondContact O-N 3Å; L274-G276 VanDerWaalsContact C-N 3.32Å; L274-G276 PolarHBondContact O-N 3.1Å; L274-E277 PolarHBondContact O-N 2.88Å; L274-F278 HydrophobicContact CB-CD2 4.35Å; L274-F278 HydrophobicContact CD2-CE2 4.2Å; L274-F278 WeakPolarHBondContact O-CB 3.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.2Å; L274-F278 PolarHBondContact O-N 3.13Å; L274-Y622 HydrophobicContact CD1-CE2 4.32Å; L274-Y622 HydrophobicContact CD2-CE2 4.21Å; L274-L625 HydrophobicContact CD1-CD2 3.62Å; L274-L625 HydrophobicContact CD1-CG 3.81Å; L274-N626 WeakPolarHBondContact CD2-OD1 3.34Å; L274-L629 HydrophobicContact CB-CD1 3.35Å; L274-L629 HydrophobicContact CD1-CD1 3.98Å; L274-L629 HydrophobicContact CG-CD1 4.3Å |
| 275 | S | 69 | Low | 68.6 | Low | 17 Ų | 17 | 28.1 Ų | 28.1 | 12% | 0.119 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | L271 A279 | L271-S275 VanDerWaalsContact O-CB 3.23Å; L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 3.34Å; S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 3.41Å |
| 276 | G | 68.8 | Low | 68.1 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G272 V273 L274 K280 | G272-G276 PolarHBondContact O-N 3.18Å; V273-G276 PolarHBondContact O-N 3.13Å; L274-G276 VanDerWaalsContact C-N 3.32Å; L274-G276 PolarHBondContact O-N 3.1Å; G276-K280 WeakPolarHBondContact O-CB 3.45Å; G276-K280 WeakPolarHBondContact O-CD 3.3Å; G276-K280 VanDerWaalsContact O-CG 3.29Å; G276-K280 WeakPolarHBondContact O-CG 3.4Å; G276-K280 PolarHBondContact O-N 2.91Å |
| 277 | E | 70 | Confident | 67.5 | Low | 44 Ų | 44 | 36.7 Ų | 36.7 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.8 | -32.7 | 179 | -74.4 | -56.7 | 133.8 | 0 | 0 | 113.6 | P123 V273 L274 K280 E281 | P123-E277 HydrophobicContact CG-CG 3.87Å; V273-E277 PolarHBondContact O-N 2.89Å; L274-E277 PolarHBondContact O-N 2.88Å; E277-K280 PolarHBondContact O-N 2.8Å; E277-K280 WeakPolarHBondContact OE1-CD 3.45Å; E277-K280 WeakPolarHBondContact OE1-CE 3.25Å; E277-K280 IonicContact OE1-NZ 2.61Å; E277-K280 PolarHBondContact OE1-NZ 2.88Å; E277-E281 WeakPolarHBondContact O-CB 3.13Å; E277-E281 PolarHBondContact O-N 2.95Å |
| 278 | F | 68.5 | Low | 66.9 | Low | 27 Ų | 27 | 43.6 Ų | 43.6 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 169.4 | -83.4 | -62.1 | 0 | 0 | 0 | 111.4 | L274 E281 R282 N626 L629 | L274-F278 HydrophobicContact CB-CD2 4.35Å; L274-F278 HydrophobicContact CD2-CE2 4.2Å; L274-F278 WeakPolarHBondContact O-CB 3.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.2Å; L274-F278 PolarHBondContact O-N 3.13Å; F278-E281 PolarHBondContact O-N 3Å; F278-R282 WeakPolarHBondContact O-CB 3.46Å; F278-R282 PolarHBondContact O-N 3.35Å; F278-N626 HydrophobicContact CE2-CB 4.19Å; F278-N626 WeakPolarHBondContact CE2-OD1 3.38Å; F278-N626 HydrophobicContact CZ-CB 3.89Å; F278-N626 WeakPolarHBondContact CZ-OD1 3.2Å; F278-L629 HydrophobicContact CD2-CB 3.99Å; F278-L629 HydrophobicContact CD2-CD1 4.41Å; F278-L629 HydrophobicContact CE2-CB 4.2Å |
| 279 | A | 65.9 | Low | 66.3 | Low | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | S275 E283 F1369 T1373 | S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 3.41Å; A279-E283 VanDerWaalsContact O-CB 3.25Å; A279-E283 WeakPolarHBondContact O-CB 3.28Å; A279-E283 PolarHBondContact O-N 3.48Å; A279-F1369 HydrophobicContact CB-CE2 4.05Å; A279-F1369 HydrophobicContact CB-CZ 3.85Å; A279-T1373 HydrophobicContact CB-CG2 4.42Å |
| 280 | K | 67.9 | Low | 65.6 | Low | 33 Ų | 33 | 53.8 Ų | 53.8 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 174.8 | -79.3 | 161.8 | 163.7 | 165.2 | 0 | 113.1 | G276 E277 E283 R284 L1372 T1373 | G276-K280 WeakPolarHBondContact O-CB 3.45Å; G276-K280 WeakPolarHBondContact O-CD 3.3Å; G276-K280 VanDerWaalsContact O-CG 3.29Å; G276-K280 WeakPolarHBondContact O-CG 3.4Å; G276-K280 PolarHBondContact O-N 2.91Å; E277-K280 PolarHBondContact O-N 2.8Å; E277-K280 WeakPolarHBondContact OE1-CD 3.45Å; E277-K280 WeakPolarHBondContact OE1-CE 3.25Å; E277-K280 IonicContact OE1-NZ 2.61Å; E277-K280 PolarHBondContact OE1-NZ 2.88Å; K280-E283 PolarHBondContact O-N 2.79Å; K280-R284 WeakPolarHBondContact O-CB 3.34Å; K280-R284 WeakPolarHBondContact O-CD 3.47Å; K280-R284 WeakPolarHBondContact O-CG 3.17Å; K280-R284 PolarHBondContact O-N 3.35Å; K280-L1372 VanDerWaalsContact CE-O 3.29Å; K280-L1372 WeakPolarHBondContact CE-O 3.45Å; K280-L1372 PolarHBondContact NZ-O 3.05Å; K280-T1373 WeakPolarHBondContact CE-O 3.25Å |
| 281 | E | 65.1 | Low | 64.8 | Low | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.3 | -35.2 | -178.3 | -165.4 | 73.5 | 163.5 | 0 | 0 | 112 | R119 E277 F278 R284 V285 | R119-E281 IonicContact CZ-OE1 3.76Å; R119-E281 IonicContact NH1-OE1 3.7Å; R119-E281 PolarHBondContact NH1-OE1 3.46Å; E277-E281 WeakPolarHBondContact O-CB 3.13Å; E277-E281 PolarHBondContact O-N 2.95Å; F278-E281 PolarHBondContact O-N 3Å; E281-R284 PolarHBondContact O-N 3.19Å; E281-R284 WeakPolarHBondContact OE2-CD 3.48Å; E281-R284 IonicContact OE2-CZ 2.76Å; E281-R284 IonicContact OE2-NE 3.3Å; E281-R284 IonicContact OE2-NH1 3.85Å; E281-R284 PolarHBondContact OE2-NH1 3.43Å; E281-V285 WeakPolarHBondContact O-CG2 3.1Å; E281-V285 PolarHBondContact O-N 2.84Å |
| 282 | R | 64.1 | Low | 64.3 | Low | 47 Ų | 47 | 60.8 Ų | 60.8 | 18% | 0.177 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -52.8 | 168.7 | 172.8 | 177.7 | 178.8 | 130.4 | 18.3 | 111.1 | F278 R284 V285 E286 V633 D634 A637 | F278-R282 WeakPolarHBondContact O-CB 3.46Å; F278-R282 PolarHBondContact O-N 3.35Å; R282-R284 PolarHBondContact O-N 3.28Å; R282-V285 CarbonylContact O-C 3.55Å; R282-V285 WeakPolarHBondContact O-CA 3.49Å; R282-V285 WeakPolarHBondContact O-CB 3.2Å; R282-V285 PolarHBondContact O-N 3.19Å; R282-E286 HydrophobicContact CG-CG 4.05Å; R282-E286 IonicContact CZ-OE1 3.69Å; R282-E286 IonicContact NE-OE1 3.87Å; R282-E286 PolarHBondContact NE-OE1 2.93Å; R282-E286 IonicContact NE-OE2 2.85Å; R282-E286 PolarHBondContact NE-OE2 3.43Å; R282-E286 IonicContact NH2-OE1 3.24Å; R282-E286 PolarHBondContact NH2-OE1 3.18Å; R282-E286 PolarHBondContact O-N 3.33Å; R282-V633 VanDerWaalsContact CD-CG1 3.44Å; R282-V633 VanDerWaalsContact NH1-C 3.33Å; R282-V633 PolarHBondContact NH1-O 2.8Å; R282-D634 IonicContact NH1-OD1 3.88Å; R282-A637 VanDerWaalsContact NH1-CB 3.3Å |
| 283 | E | 65.3 | Low | 64.2 | Low | 49 Ų | 49 | 67.2 Ų | 67.2 | 23% | 0.229 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | -176.2 | -161.8 | -137.1 | -160.7 | 0 | 0 | 110.6 | A279 K280 V285 E286 K287 | A279-E283 VanDerWaalsContact O-CB 3.25Å; A279-E283 WeakPolarHBondContact O-CB 3.28Å; A279-E283 PolarHBondContact O-N 3.48Å; K280-E283 PolarHBondContact O-N 2.79Å; E283-V285 VanDerWaalsContact C-N 3.3Å; E283-V285 PolarHBondContact O-N 2.73Å; E283-E286 PolarHBondContact O-N 3.29Å; E283-K287 HydrophobicContact CG-CD 4.24Å; E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 WeakPolarHBondContact O-CG 3.11Å; E283-K287 PolarHBondContact O-N 3.27Å; E283-K287 WeakPolarHBondContact OE1-CE 3.14Å; E283-K287 IonicContact OE1-NZ 2.74Å; E283-K287 PolarHBondContact OE1-NZ 2.79Å; E283-K287 VanDerWaalsContact OE2-CE 3.31Å; E283-K287 WeakPolarHBondContact OE2-CE 3.4Å; E283-K287 IonicContact OE2-NZ 2.82Å; E283-K287 PolarHBondContact OE2-NZ 3.05Å |
| 284 | R | 66.1 | Low | 63.7 | Low | 88 Ų | 88 | 69.6 Ų | 69.6 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -31.3 | 169.2 | -67.7 | 163.8 | -163.5 | 149.8 | 3.7 | 113.2 | K280 E281 R282 R288 | K280-R284 WeakPolarHBondContact O-CB 3.34Å; K280-R284 WeakPolarHBondContact O-CD 3.47Å; K280-R284 WeakPolarHBondContact O-CG 3.17Å; K280-R284 PolarHBondContact O-N 3.35Å; E281-R284 PolarHBondContact O-N 3.19Å; E281-R284 WeakPolarHBondContact OE2-CD 3.48Å; E281-R284 IonicContact OE2-CZ 2.76Å; E281-R284 IonicContact OE2-NE 3.3Å; E281-R284 IonicContact OE2-NH1 3.85Å; E281-R284 PolarHBondContact OE2-NH1 3.43Å; R282-R284 PolarHBondContact O-N 3.28Å; R284-R288 WeakPolarHBondContact O-CD 3.19Å; R284-R288 WeakPolarHBondContact O-CG 3.19Å; R284-R288 PolarHBondContact O-NE 2.98Å |
| 285 | V | 61.4 | Low | 63.3 | Low | 80 Ų | 80 | 75 Ų | 75 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -81.2 | -40.8 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 112.2 | E281 R282 E283 R288 | E281-V285 WeakPolarHBondContact O-CG2 3.1Å; E281-V285 PolarHBondContact O-N 2.84Å; R282-V285 CarbonylContact O-C 3.55Å; R282-V285 WeakPolarHBondContact O-CA 3.49Å; R282-V285 WeakPolarHBondContact O-CB 3.2Å; R282-V285 PolarHBondContact O-N 3.19Å; E283-V285 VanDerWaalsContact C-N 3.3Å; E283-V285 PolarHBondContact O-N 2.73Å; V285-R288 WeakPolarHBondContact O-CB 3.39Å; V285-R288 PolarHBondContact O-N 3.25Å; V285-R288 VanDerWaalsContact O-N 3.11Å |
| 286 | E | 61.3 | Low | 63.3 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | 179 | -71.4 | 179.6 | 134.1 | 0 | 0 | 111.7 | R282 E283 R288 R289 | R282-E286 HydrophobicContact CG-CG 4.05Å; R282-E286 IonicContact CZ-OE1 3.69Å; R282-E286 IonicContact NE-OE1 3.87Å; R282-E286 PolarHBondContact NE-OE1 2.93Å; R282-E286 IonicContact NE-OE2 2.85Å; R282-E286 PolarHBondContact NE-OE2 3.43Å; R282-E286 IonicContact NH2-OE1 3.24Å; R282-E286 PolarHBondContact NH2-OE1 3.18Å; R282-E286 PolarHBondContact O-N 3.33Å; E283-E286 PolarHBondContact O-N 3.29Å; E286-R288 PolarHBondContact O-N 2.88Å; E286-R289 PolarHBondContact O-N 3.34Å |
| 287 | K | 57.2 | Low | 63.4 | Low | 148 Ų | 148 | 86.6 Ų | 86.6 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -18.3 | 171 | -75.2 | 173 | 172.8 | 170.3 | 0 | 112.8 | E283 | E283-K287 HydrophobicContact CG-CD 4.24Å; E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 WeakPolarHBondContact O-CG 3.11Å; E283-K287 PolarHBondContact O-N 3.27Å; E283-K287 WeakPolarHBondContact OE1-CE 3.14Å; E283-K287 IonicContact OE1-NZ 2.74Å; E283-K287 PolarHBondContact OE1-NZ 2.79Å; E283-K287 VanDerWaalsContact OE2-CE 3.31Å; E283-K287 WeakPolarHBondContact OE2-CE 3.4Å; E283-K287 IonicContact OE2-NZ 2.82Å; E283-K287 PolarHBondContact OE2-NZ 3.05Å |
| 288 | R | 57.5 | Low | 63.1 | Low | 185 Ų | 185 | 87.5 Ų | 87.5 | 70% | 0.698 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -18.8 | -175.5 | -79.8 | 175 | -174.3 | -171.6 | 0.4 | 117 | R284 V285 E286 | R284-R288 WeakPolarHBondContact O-CD 3.19Å; R284-R288 WeakPolarHBondContact O-CG 3.19Å; R284-R288 PolarHBondContact O-NE 2.98Å; V285-R288 WeakPolarHBondContact O-CB 3.39Å; V285-R288 PolarHBondContact O-N 3.25Å; V285-R288 VanDerWaalsContact O-N 3.11Å; E286-R288 PolarHBondContact O-N 2.88Å |
| 289 | R | 55.9 | Low | 63.3 | Low | 180 Ų | 180 | 90.7 Ų | 90.7 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 163.4 | -16.2 | 162.5 | -92.7 | 145.3 | -156 | 178.7 | 5.3 | 115.7 | E286 | E286-R289 PolarHBondContact O-N 3.34Š|
| 290 | A | 58.2 | Low | 63.7 | Low | 53 Ų | 53 | 93.8 Ų | 93.8 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -52.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L292 K293 L294 | A290-L292 PolarHBondContact O-N 2.89Å; A290-K293 WeakPolarHBondContact O-CA 3.13Å; A290-K293 VanDerWaalsContact O-CB 3.29Å; A290-K293 WeakPolarHBondContact O-CB 3.26Å; A290-K293 PolarHBondContact O-N 3.05Å; A290-L294 PolarHBondContact O-N 3.38Å |
| 291 | F | 54.5 | Low | 63.8 | Low | 76 Ų | 76 | 98.5 Ų | 98.5 | 33% | 0.333 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -51.5 | -50.3 | -179.5 | 177.1 | -103.7 | 0 | 0 | 0 | 113.2 | K293 L294 R295 E641 | F291-K293 PolarHBondContact O-N 2.92Å; F291-K293 VanDerWaalsContact O-N 3.1Å; F291-L294 PolarHBondContact O-N 2.91Å; F291-R295 PolarHBondContact O-N 2.76Å; F291-E641 VanDerWaalsContact CD2-OE1 3.3Å; F291-E641 WeakPolarHBondContact CD2-OE1 3.22Å; F291-E641 HydrophobicContact CE2-CG 4.12Å; F291-E641 WeakPolarHBondContact CE2-OE1 3.48Å |
| 292 | L | 61.3 | Low | 64.2 | Low | 106 Ų | 106 | 101.1 Ų | 101.1 | 56% | 0.555 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.7 | -16 | 177.1 | -75.6 | 172.3 | 0 | 0 | 0 | 114 | A290 R296 | A290-L292 PolarHBondContact O-N 2.89Å; L292-R296 WeakPolarHBondContact O-CD 3.16Å; L292-R296 WeakPolarHBondContact O-CG 3.16Å; L292-R296 PolarHBondContact O-NE 3.44Å |
| 293 | K | 69.2 | Low | 64.7 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 60% | 0.6 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -88.3 | -46.3 | 172.9 | -166.9 | -169.5 | 174.2 | -166.5 | 0 | 110.8 | A290 F291 R296 Q297 | A290-K293 WeakPolarHBondContact O-CA 3.13Å; A290-K293 VanDerWaalsContact O-CB 3.29Å; A290-K293 WeakPolarHBondContact O-CB 3.26Å; A290-K293 PolarHBondContact O-N 3.05Å; F291-K293 PolarHBondContact O-N 2.92Å; F291-K293 VanDerWaalsContact O-N 3.1Å; K293-R296 PolarHBondContact O-N 3.05Å; K293-Q297 WeakPolarHBondContact O-CG 3.4Å; K293-Q297 PolarHBondContact O-N 3.38Å |
| 294 | L | 58.6 | Low | 65.2 | Low | 66 Ų | 66 | 106.7 Ų | 106.7 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -52.9 | -178.8 | -167.3 | 72.3 | 0 | 0 | 0 | 111.7 | A290 F291 R296 Q297 Q298 | A290-L294 PolarHBondContact O-N 3.38Å; F291-L294 PolarHBondContact O-N 2.91Å; L294-R296 PolarHBondContact O-N 3.23Å; L294-Q297 PolarHBondContact O-N 3.42Å; L294-Q298 PolarHBondContact O-N 3.11Å |
| 295 | R | 63.6 | Low | 65.5 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -31.8 | 178.1 | -167.9 | 168.3 | -179.9 | 164.2 | -0.5 | 112.3 | F291 Q299 E648 | F291-R295 PolarHBondContact O-N 2.76Å; R295-Q299 WeakPolarHBondContact O-CB 3.32Å; R295-Q299 PolarHBondContact O-N 3.33Å; R295-Q299 VanDerWaalsContact O-N 3.14Å; R295-E648 IonicContact CZ-OE1 3.13Å; R295-E648 IonicContact CZ-OE2 2.67Å; R295-E648 IonicContact NH2-OE1 3.97Å; R295-E648 PolarHBondContact NH2-OE1 3.11Å; R295-E648 IonicContact NH2-OE2 3.77Å; R295-E648 PolarHBondContact NH2-OE2 3.25Å |
| 296 | R | 68.1 | Low | 66.1 | Low | 168 Ų | 168 | 103.1 Ų | 103.1 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.7 | -38.9 | 172.9 | -75.3 | 179.5 | -168.3 | 175.9 | 3.2 | 113.3 | L292 K293 L294 T300 | L292-R296 WeakPolarHBondContact O-CD 3.16Å; L292-R296 WeakPolarHBondContact O-CG 3.16Å; L292-R296 PolarHBondContact O-NE 3.44Å; K293-R296 PolarHBondContact O-N 3.05Å; L294-R296 PolarHBondContact O-N 3.23Å; R296-T300 WeakPolarHBondContact O-CB 3.31Å; R296-T300 PolarHBondContact O-N 2.74Å; R296-T300 PolarHBondContact O-OG1 3.46Å |
| 297 | Q | 72 | Confident | 66.9 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -51.2 | 178.2 | -73 | -177 | -112.6 | 0 | 0 | 110.9 | K293 L294 Q299 T300 E301 | K293-Q297 WeakPolarHBondContact O-CG 3.4Å; K293-Q297 PolarHBondContact O-N 3.38Å; L294-Q297 PolarHBondContact O-N 3.42Å; Q297-Q299 VanDerWaalsContact C-N 3.32Å; Q297-Q299 PolarHBondContact O-N 3.26Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 3.3Å; Q297-T300 VanDerWaalsContact O-N 3.08Å; Q297-E301 PolarHBondContact O-N 2.71Å |
| 298 | Q | 64.4 | Low | 67.6 | Low | 64 Ų | 64 | 101.5 Ų | 101.5 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 176.3 | -65.6 | -179.1 | 2.8 | 0 | 0 | 112.6 | L294 E301 K302 | L294-Q298 PolarHBondContact O-N 3.11Å; Q298-E301 PolarHBondContact O-N 3.02Å; Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.46Å |
| 299 | Q | 72.4 | Confident | 68.3 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 175.3 | -179.3 | 61.4 | 20.8 | 0 | 0 | 112 | R295 Q297 E301 K302 E303 | R295-Q299 WeakPolarHBondContact O-CB 3.32Å; R295-Q299 PolarHBondContact O-N 3.33Å; R295-Q299 VanDerWaalsContact O-N 3.14Å; Q297-Q299 VanDerWaalsContact C-N 3.32Å; Q297-Q299 PolarHBondContact O-N 3.26Å; Q299-E301 VanDerWaalsContact C-N 3.33Å; Q299-E301 PolarHBondContact O-N 2.85Å; Q299-K302 PolarHBondContact O-N 3.49Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.4Å; Q299-E303 PolarHBondContact NE2-OE1 3.05Å; Q299-E303 WeakPolarHBondContact O-CB 3.43Å; Q299-E303 WeakPolarHBondContact O-CG 3.23Å; Q299-E303 PolarHBondContact O-N 2.94Å |
| 300 | T | 73.2 | Confident | 69.1 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.7 | -37.2 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.5 | R296 Q297 F304 | R296-T300 WeakPolarHBondContact O-CB 3.31Å; R296-T300 PolarHBondContact O-N 2.74Å; R296-T300 PolarHBondContact O-OG1 3.46Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 3.3Å; Q297-T300 VanDerWaalsContact O-N 3.08Å; T300-F304 VanDerWaalsContact O-CB 3.3Å; T300-F304 WeakPolarHBondContact O-CB 3.27Å; T300-F304 PolarHBondContact O-N 3Å |
| 301 | E | 71.3 | Confident | 69.9 | Low | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.5 | -42.6 | 175.9 | -71.3 | 171.1 | -174.3 | 0 | 0 | 112.1 | Q297 Q298 Q299 E303 F304 S305 | Q297-E301 PolarHBondContact O-N 2.71Å; Q298-E301 PolarHBondContact O-N 3.02Å; Q299-E301 VanDerWaalsContact C-N 3.33Å; Q299-E301 PolarHBondContact O-N 2.85Å; E301-E303 VanDerWaalsContact C-N 3.35Å; E301-E303 PolarHBondContact O-N 3.21Å; E301-F304 PolarHBondContact O-N 3.46Å; E301-S305 PolarHBondContact O-N 3.31Å |
| 302 | K | 71.8 | Confident | 70.3 | Confident | 98 Ų | 98 | 91.3 Ų | 91.3 | 43% | 0.426 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 172.1 | -72.8 | 176.4 | -179.2 | -179.8 | 0 | 111.3 | Q298 Q299 G306 Q649 | Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.46Å; Q299-K302 PolarHBondContact O-N 3.49Å; K302-G306 PolarHBondContact O-N 3.08Å; K302-Q649 VanDerWaalsContact NZ-NE2 3.2Å |
| 303 | E | 75.9 | Confident | 70.7 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.5 | -75.8 | 178.1 | -150.6 | 0 | 0 | 112.5 | Q299 E301 G306 Y307 | Q299-E303 WeakPolarHBondContact CG-OE1 3.4Å; Q299-E303 PolarHBondContact NE2-OE1 3.05Å; Q299-E303 WeakPolarHBondContact O-CB 3.43Å; Q299-E303 WeakPolarHBondContact O-CG 3.23Å; Q299-E303 PolarHBondContact O-N 2.94Å; E301-E303 VanDerWaalsContact C-N 3.35Å; E301-E303 PolarHBondContact O-N 3.21Å; E303-G306 PolarHBondContact O-N 2.96Å; E303-Y307 HydrophobicContact CB-CE2 4.1Å; E303-Y307 WeakPolarHBondContact O-CD2 3.47Å; E303-Y307 PolarHBondContact O-N 3.38Å |
| 304 | F | 75.7 | Confident | 70.8 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 177.7 | -177.6 | -96.6 | 0 | 0 | 0 | 112.3 | T300 E301 G306 Y307 M308 | T300-F304 VanDerWaalsContact O-CB 3.3Å; T300-F304 WeakPolarHBondContact O-CB 3.27Å; T300-F304 PolarHBondContact O-N 3Å; E301-F304 PolarHBondContact O-N 3.46Å; F304-G306 VanDerWaalsContact C-N 3.29Å; F304-G306 PolarHBondContact O-N 3.34Å; F304-Y307 PolarHBondContact O-N 3.06Å; F304-M308 HydrophobicContact CE1-CE 4.35Å; F304-M308 HydrophobicContact CZ-CE 4.05Å; F304-M308 PolarHBondContact O-N 3Å |
| 305 | S | 72.1 | Confident | 71.2 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 49% | 0.49 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | E301 Y307 M308 D309 | E301-S305 PolarHBondContact O-N 3.31Å; S305-Y307 PolarHBondContact O-N 3.37Å; S305-M308 PolarHBondContact O-N 3Å; S305-D309 PolarHBondContact O-N 2.99Å |
| 306 | G | 74.8 | Confident | 71.2 | Confident | 23 Ų | 23 | 82 Ų | 82 | 24% | 0.237 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K302 E303 F304 M308 W310 | K302-G306 PolarHBondContact O-N 3.08Å; E303-G306 PolarHBondContact O-N 2.96Å; F304-G306 VanDerWaalsContact C-N 3.29Å; F304-G306 PolarHBondContact O-N 3.34Å; G306-M308 VanDerWaalsContact C-N 3.35Å; G306-M308 PolarHBondContact O-N 3.14Å; G306-W310 VanDerWaalsContact O-CB 3.24Å; G306-W310 WeakPolarHBondContact O-CB 3.35Å; G306-W310 PolarHBondContact O-N 3.37Å |
| 307 | Y | 77.9 | Confident | 71.1 | Confident | 109 Ų | 109 | 75.5 Ų | 75.5 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 175 | -67 | -52.6 | 0 | 0 | 0 | 113 | E303 F304 S305 W310 I311 P2043 | E303-Y307 HydrophobicContact CB-CE2 4.1Å; E303-Y307 WeakPolarHBondContact O-CD2 3.47Å; E303-Y307 PolarHBondContact O-N 3.38Å; F304-Y307 PolarHBondContact O-N 3.06Å; S305-Y307 PolarHBondContact O-N 3.37Å; Y307-W310 WeakPolarHBondContact O-CB 3.12Å; Y307-W310 PolarHBondContact O-N 3.4Å; Y307-I311 WeakPolarHBondContact O-CG1 3.29Å; Y307-I311 PolarHBondContact O-N 2.73Å; Y307-I311 VanDerWaalsContact O-N 3.11Å; Y307-P2043 HydrophobicContact CD1-CB 3.8Å; Y307-P2043 HydrophobicContact CE1-CB 4.37Å |
| 308 | M | 71.9 | Confident | 70.9 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -55.5 | -174.6 | -172.4 | 55.1 | 81.7 | 0 | 0 | 112.6 | F304 S305 G306 W310 I311 Q312 E466 | F304-M308 HydrophobicContact CE1-CE 4.35Å; F304-M308 HydrophobicContact CZ-CE 4.05Å; F304-M308 PolarHBondContact O-N 3Å; S305-M308 PolarHBondContact O-N 3Å; G306-M308 VanDerWaalsContact C-N 3.35Å; G306-M308 PolarHBondContact O-N 3.14Å; M308-W310 VanDerWaalsContact C-N 3.3Å; M308-W310 PolarHBondContact O-N 2.76Å; M308-I311 WeakPolarHBondContact O-CA 3.24Å; M308-I311 WeakPolarHBondContact O-CB 3.14Å; M308-I311 PolarHBondContact O-N 3.21Å; M308-Q312 PolarHBondContact O-N 3.47Å; M308-E466 WeakPolarHBondContact CE-OE1 3.46Å |
| 309 | D | 71 | Confident | 70.6 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.5 | -17.7 | 172.4 | 23.8 | -68 | 0 | 0 | 0 | 113.9 | S305 I311 Q312 K313 Y2041 | S305-D309 PolarHBondContact O-N 2.99Å; D309-I311 PolarHBondContact O-N 3.2Å; D309-Q312 HydrophobicContact CB-CB 3.91Å; D309-Q312 PolarHBondContact O-N 3.3Å; D309-K313 PolarHBondContact O-N 3.15Å; D309-Y2041 HydrophobicContact CB-CD1 4.27Å; D309-Y2041 HydrophobicContact CB-CE1 3.61Å; D309-Y2041 VanDerWaalsContact O-CD1 3.25Å; D309-Y2041 WeakPolarHBondContact O-CD1 3.3Å; D309-Y2041 VanDerWaalsContact OD2-CE1 3.26Å; D309-Y2041 WeakPolarHBondContact OD2-CE1 3.42Å; D309-Y2041 PolarHBondContact OD2-OH 2.92Å; D309-Y2041 VanDerWaalsContact OD2-OH 3.07Å |
| 310 | W | 73.2 | Confident | 70.1 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -26.5 | 164.8 | -86.1 | 37.4 | 0 | 0 | 0 | 111.2 | G306 Y307 M308 Y2041 I2042 P2043 | G306-W310 VanDerWaalsContact O-CB 3.24Å; G306-W310 WeakPolarHBondContact O-CB 3.35Å; G306-W310 PolarHBondContact O-N 3.37Å; Y307-W310 WeakPolarHBondContact O-CB 3.12Å; Y307-W310 PolarHBondContact O-N 3.4Å; M308-W310 VanDerWaalsContact C-N 3.3Å; M308-W310 PolarHBondContact O-N 2.76Å; W310-Y2041 HydrophobicContact CB-CD1 4.38Å; W310-Y2041 AromaticContact CD1-CD1 3.19Å; W310-Y2041 AromaticContact CD1-CD2 3.63Å; W310-Y2041 AromaticContact CD1-CE1 3.32Å; W310-Y2041 AromaticContact CD1-CE2 3.75Å; W310-Y2041 AromaticContact CD1-CG 3.3Å; W310-Y2041 AromaticContact CD1-CZ 3.56Å; W310-Y2041 HydrophobicContact CG-CD1 4.05Å; W310-Y2041 HydrophobicContact CG-CE1 4.37Å; W310-Y2041 HydrophobicContact CG-CG 4.22Å; W310-Y2041 AromaticContact NE1-CD1 3.82Å; W310-Y2041 AromaticContact NE1-CD2 3.32Å; W310-Y2041 VanDerWaalsContact NE1-CD2 3.32Å; W310-Y2041 AromaticContact NE1-CE2 3.52Å; W310-Y2041 AromaticContact NE1-CG 3.42Å; W310-Y2041 AromaticContact NE1-CZ 3.83Å; W310-I2042 VanDerWaalsContact CE3-C 3.41Å; W310-I2042 WeakPolarHBondContact CZ3-O 3.42Å; W310-P2043 HydrophobicContact CB-CB 4Å; W310-P2043 HydrophobicContact CB-CG 4.29Å; W310-P2043 HydrophobicContact CD2-CB 4.44Å; W310-P2043 HydrophobicContact CE3-CB 3.71Å |
| 311 | I | 75.1 | Confident | 69.3 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 46% | 0.462 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -80.7 | -47.5 | 165.8 | -60.9 | 161.5 | 0 | 0 | 0 | 111.2 | Y307 M308 D309 K313 A314 E315 | Y307-I311 WeakPolarHBondContact O-CG1 3.29Å; Y307-I311 PolarHBondContact O-N 2.73Å; Y307-I311 VanDerWaalsContact O-N 3.11Å; M308-I311 WeakPolarHBondContact O-CA 3.24Å; M308-I311 WeakPolarHBondContact O-CB 3.14Å; M308-I311 PolarHBondContact O-N 3.21Å; D309-I311 PolarHBondContact O-N 3.2Å; I311-K313 PolarHBondContact O-N 3.02Å; I311-A314 WeakPolarHBondContact O-CA 3.45Å; I311-A314 WeakPolarHBondContact O-CB 3.45Å; I311-A314 PolarHBondContact O-N 3.11Å; I311-E315 PolarHBondContact O-N 3Å; I311-E315 VanDerWaalsContact O-N 3.13Å |
| 312 | Q | 63.1 | Low | 68.6 | Low | 35 Ų | 35 | 75.1 Ų | 75.1 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | -177.9 | -169.4 | -177.6 | 112.4 | 0 | 0 | 113.4 | M308 D309 A314 E315 E316 | M308-Q312 PolarHBondContact O-N 3.47Å; D309-Q312 HydrophobicContact CB-CB 3.91Å; D309-Q312 PolarHBondContact O-N 3.3Å; Q312-A314 VanDerWaalsContact C-N 3.32Å; Q312-E315 PolarHBondContact O-N 3.4Å; Q312-E316 PolarHBondContact O-N 3.27Å |
| 313 | K | 69.8 | Low | 68 | Low | 41 Ų | 41 | 76.1 Ų | 76.1 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73 | -22.7 | 176.5 | -102.9 | -179.7 | -179.1 | 179.3 | 0 | 113.3 | D309 I311 V317 K2038 H2040 Y2041 | D309-K313 PolarHBondContact O-N 3.15Å; I311-K313 PolarHBondContact O-N 3.02Å; K313-V317 PolarHBondContact O-N 2.76Å; K313-K2038 WeakPolarHBondContact CE-O 3.43Å; K313-K2038 PolarHBondContact NZ-O 2.78Å; K313-H2040 PolarHBondContact O-CE1 3.29Å; K313-H2040 VanDerWaalsContact O-CE1 3.3Å; K313-Y2041 HydrophobicContact CB-CD1 4.15Å; K313-Y2041 HydrophobicContact CB-CG 4.47Å; K313-Y2041 HydrophobicContact CD-CD1 3.72Å; K313-Y2041 HydrophobicContact CD-CD2 4.41Å; K313-Y2041 HydrophobicContact CD-CG 3.59Å; K313-Y2041 HydrophobicContact CG-CD1 4.39Å |
| 314 | A | 70.8 | Confident | 67.1 | Low | 16 Ų | 16 | 75.7 Ų | 75.7 | 13% | 0.132 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I311 Q312 E316 V317 I318 I2042 | I311-A314 WeakPolarHBondContact O-CA 3.45Å; I311-A314 WeakPolarHBondContact O-CB 3.45Å; I311-A314 PolarHBondContact O-N 3.11Å; Q312-A314 VanDerWaalsContact C-N 3.32Å; A314-E316 PolarHBondContact O-N 2.69Å; A314-V317 PolarHBondContact O-N 3.17Å; A314-I318 HydrophobicContact CB-CD1 4.46Å; A314-I318 WeakPolarHBondContact O-CB 3.42Å; A314-I318 WeakPolarHBondContact O-CD1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.18Å; A314-I318 PolarHBondContact O-N 2.83Å; A314-I2042 HydrophobicContact CB-CD1 3.69Å; A314-I2042 HydrophobicContact CB-CG1 3.63Å |
| 315 | E | 67.5 | Low | 66.3 | Low | 111 Ų | 111 | 74.2 Ų | 74.2 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.4 | -63 | -164.6 | 135.3 | 0 | 0 | 112.2 | I311 Q312 V317 I318 L319 | I311-E315 PolarHBondContact O-N 3Å; I311-E315 VanDerWaalsContact O-N 3.13Å; Q312-E315 PolarHBondContact O-N 3.4Å; E315-V317 PolarHBondContact O-N 3Å; E315-I318 PolarHBondContact O-N 3.16Å; E315-L319 VanDerWaalsContact O-CB 3.28Å; E315-L319 WeakPolarHBondContact O-CB 3.3Å; E315-L319 WeakPolarHBondContact O-CD1 3.33Å; E315-L319 WeakPolarHBondContact O-CG 3.43Å; E315-L319 PolarHBondContact O-N 2.98Å |
| 316 | E | 63.6 | Low | 65.8 | Low | 61 Ų | 61 | 74.5 Ų | 74.5 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -26.9 | -178.1 | -73.1 | -174.2 | 166.4 | 0 | 0 | 113.3 | Q312 A314 R399 K403 | Q312-E316 PolarHBondContact O-N 3.27Å; A314-E316 PolarHBondContact O-N 2.69Å; E316-R399 WeakPolarHBondContact OE1-CD 3.26Å; E316-R399 IonicContact OE1-CZ 2.65Å; E316-R399 IonicContact OE1-NH1 3.55Å; E316-R399 PolarHBondContact OE1-NH1 2.99Å; E316-K403 IonicContact OE1-NZ 2.84Å; E316-K403 PolarHBondContact OE1-NZ 3.35Å; E316-K403 IonicContact OE2-NZ 3.98Å |
| 317 | V | 66.3 | Low | 65.1 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -96.3 | -32.5 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 113.3 | K313 A314 E315 L319 A320 E321 H2040 | K313-V317 PolarHBondContact O-N 2.76Å; A314-V317 PolarHBondContact O-N 3.17Å; E315-V317 PolarHBondContact O-N 3Å; V317-L319 PolarHBondContact O-N 3.35Å; V317-A320 CarbonylContact O-C 3.13Å; V317-A320 WeakPolarHBondContact O-CA 3.5Å; V317-A320 WeakPolarHBondContact O-CB 3.33Å; V317-A320 PolarHBondContact O-N 3.42Å; V317-E321 PolarHBondContact O-N 3.45Å; V317-H2040 WeakPolarHBondContact CB-NE2 3.43Å; V317-H2040 WeakPolarHBondContact CG1-NE2 3.39Å; V317-H2040 WeakPolarHBondContact CG2-NE2 3.29Å |
| 318 | I | 66.6 | Low | 64.3 | Low | 95 Ų | 95 | 78.9 Ų | 78.9 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 170.5 | -70.1 | 164.2 | 0 | 0 | 0 | 109.9 | A314 E315 A320 E321 D322 | A314-I318 HydrophobicContact CB-CD1 4.46Å; A314-I318 WeakPolarHBondContact O-CB 3.42Å; A314-I318 WeakPolarHBondContact O-CD1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.18Å; A314-I318 PolarHBondContact O-N 2.83Å; E315-I318 PolarHBondContact O-N 3.16Å; I318-A320 PolarHBondContact O-N 2.92Å; I318-E321 PolarHBondContact O-N 2.97Å; I318-D322 PolarHBondContact O-N 3.19Å |
| 319 | L | 58.2 | Low | 63.6 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 56% | 0.555 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.1 | -13.4 | 173.2 | -71.9 | 168.7 | 0 | 0 | 0 | 114.2 | E315 V317 | E315-L319 VanDerWaalsContact O-CB 3.28Å; E315-L319 WeakPolarHBondContact O-CB 3.3Å; E315-L319 WeakPolarHBondContact O-CD1 3.33Å; E315-L319 WeakPolarHBondContact O-CG 3.43Å; E315-L319 PolarHBondContact O-N 2.98Å; V317-L319 PolarHBondContact O-N 3.35Å |
| 320 | A | 62.1 | Low | 63.4 | Low | 50 Ų | 50 | 84.3 Ų | 84.3 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -99.2 | -33.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V317 I318 T323 | V317-A320 CarbonylContact O-C 3.13Å; V317-A320 WeakPolarHBondContact O-CA 3.5Å; V317-A320 WeakPolarHBondContact O-CB 3.33Å; V317-A320 PolarHBondContact O-N 3.42Å; I318-A320 PolarHBondContact O-N 2.92Å; A320-T323 WeakPolarHBondContact O-CB 3.36Å; A320-T323 WeakPolarHBondContact O-CG2 3.45Å; A320-T323 PolarHBondContact O-N 3.26Å; A320-T323 PolarHBondContact O-OG1 3.48Å |
| 321 | E | 57.6 | Low | 63.1 | Low | 111 Ų | 111 | 88.2 Ų | 88.2 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -75.4 | -26.7 | -176.8 | -166.4 | 174.6 | -169.7 | 0 | 0 | 113.1 | V317 I318 T323 T324 | V317-E321 PolarHBondContact O-N 3.45Å; I318-E321 PolarHBondContact O-N 2.97Å; E321-T323 PolarHBondContact O-N 3.34Å; E321-T324 PolarHBondContact O-N 3.44Å; E321-T324 PolarHBondContact O-OG1 2.92Å |
| 322 | D | 56.5 | Low | 62.7 | Low | 100 Ų | 100 | 88 Ų | 88 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 11.9 | 170.3 | -92.1 | -7.8 | 0 | 0 | 0 | 114.5 | I318 R329 | I318-D322 PolarHBondContact O-N 3.19Å; D322-R329 IonicContact OD1-CZ 3.2Å; D322-R329 IonicContact OD1-NH1 2.75Å; D322-R329 PolarHBondContact OD1-NH1 3.08Å; D322-R329 IonicContact OD1-NH2 2.68Å; D322-R329 PolarHBondContact OD1-NH2 3.42Å |
| 323 | T | 57.9 | Low | 63.1 | Low | 120 Ų | 120 | 90 Ų | 90 | 74% | 0.736 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.6 | 170 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | A320 E321 | A320-T323 WeakPolarHBondContact O-CB 3.36Å; A320-T323 WeakPolarHBondContact O-CG2 3.45Å; A320-T323 PolarHBondContact O-N 3.26Å; A320-T323 PolarHBondContact O-OG1 3.48Å; E321-T323 PolarHBondContact O-N 3.34Å |
| 324 | T | 58 | Low | 63.2 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -97 | 153.4 | -173.4 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | E321 | E321-T324 PolarHBondContact O-N 3.44Å; E321-T324 PolarHBondContact O-OG1 2.92Å |
| 325 | T | 59.4 | Low | 63.2 | Low | 97 Ų | 97 | 91.9 Ų | 91.9 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | trans | -70.9 | 140.2 | -174 | 11.5 | 0 | 0 | 0 | 0 | 114.1 | D327 E328 R329 | T325-D327 PolarHBondContact O-N 3.42Å; T325-E328 WeakPolarHBondContact O-CB 3.33Å; T325-E328 PolarHBondContact O-N 3.32Å; T325-R329 PolarHBondContact O-N 3.22Å | ||
| 326 | A | 59.9 | Low | 63.5 | Low | 76 Ų | 76 | 95.7 Ų | 95.7 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | -168 | 0 | 0 | 0 | 0 | 0 | 114.7 | E328 R329 M330 | A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 3.41Å; A326-R329 WeakPolarHBondContact O-CB 3.34Å; A326-R329 PolarHBondContact O-N 3.36Å; A326-M330 PolarHBondContact O-N 3.04Å |
| 327 | D | 61.6 | Low | 63.9 | Low | 120 Ų | 120 | 102 Ų | 102 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -34.3 | -179.2 | -62.2 | -59.5 | 0 | 0 | 0 | 112.7 | T325 M330 R331 | T325-D327 PolarHBondContact O-N 3.42Å; D327-M330 PolarHBondContact O-N 3.21Å; D327-R331 WeakPolarHBondContact O-CG 3.38Å; D327-R331 PolarHBondContact O-N 3.2Å |
| 328 | E | 59.7 | Low | 64.2 | Low | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 180 | -161.2 | 139.2 | -124.3 | 0 | 0 | 111 | T325 A326 M330 R331 I332 | T325-E328 WeakPolarHBondContact O-CB 3.33Å; T325-E328 PolarHBondContact O-N 3.32Å; A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 3.41Å; E328-M330 PolarHBondContact O-N 3Å; E328-R331 PolarHBondContact O-N 3.37Å; E328-I332 HydrophobicContact CG-CD1 4.33Å; E328-I332 WeakPolarHBondContact O-CG1 3.45Å; E328-I332 PolarHBondContact O-N 3.09Å |
| 329 | R | 58 | Low | 64.5 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.3 | -42.2 | 170.4 | -139.4 | 173.9 | -166.7 | 165.3 | 7.3 | 111 | D322 T325 A326 I332 I333 | D322-R329 IonicContact OD1-CZ 3.2Å; D322-R329 IonicContact OD1-NH1 2.75Å; D322-R329 PolarHBondContact OD1-NH1 3.08Å; D322-R329 IonicContact OD1-NH2 2.68Å; D322-R329 PolarHBondContact OD1-NH2 3.42Å; T325-R329 PolarHBondContact O-N 3.22Å; A326-R329 WeakPolarHBondContact O-CB 3.34Å; A326-R329 PolarHBondContact O-N 3.36Å; R329-I332 PolarHBondContact O-N 3.01Å; R329-I333 WeakPolarHBondContact O-CD1 3.26Å; R329-I333 VanDerWaalsContact O-CG1 3.24Å; R329-I333 WeakPolarHBondContact O-CG1 3.35Å; R329-I333 PolarHBondContact O-N 3.25Å |
| 330 | M | 67 | Low | 65.3 | Low | 132 Ų | 132 | 104.2 Ų | 104.2 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72 | -35.8 | 179.9 | -159 | 60.1 | 167.6 | 0 | 0 | 113.2 | A326 D327 E328 S334 | A326-M330 PolarHBondContact O-N 3.04Å; D327-M330 PolarHBondContact O-N 3.21Å; E328-M330 PolarHBondContact O-N 3Å; M330-S334 WeakPolarHBondContact O-CB 3.4Å; M330-S334 PolarHBondContact O-N 3.06Å; M330-S334 PolarHBondContact O-OG 3.28Å |
| 331 | R | 66.2 | Low | 65.6 | Low | 176 Ų | 176 | 109.8 Ų | 109.8 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -45.7 | 171.3 | -69.4 | 173.3 | -173.6 | -174.3 | 2 | 111.4 | D327 E328 S334 A335 | D327-R331 WeakPolarHBondContact O-CG 3.38Å; D327-R331 PolarHBondContact O-N 3.2Å; E328-R331 PolarHBondContact O-N 3.37Å; R331-S334 PolarHBondContact O-N 3.29Å; R331-S334 PolarHBondContact O-OG 3.1Å; R331-S334 VanDerWaalsContact O-OG 3.04Å; R331-A335 WeakPolarHBondContact O-CB 3.45Å; R331-A335 PolarHBondContact O-N 2.93Å |
| 332 | I | 66.8 | Low | 65.8 | Low | 84 Ų | 84 | 110.1 Ų | 110.1 | 43% | 0.431 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64 | -43.7 | 179.3 | -66.3 | 163.5 | 0 | 0 | 0 | 111.5 | E328 R329 A335 R336 | E328-I332 HydrophobicContact CG-CD1 4.33Å; E328-I332 WeakPolarHBondContact O-CG1 3.45Å; E328-I332 PolarHBondContact O-N 3.09Å; R329-I332 PolarHBondContact O-N 3.01Å; I332-A335 PolarHBondContact O-N 3.25Å; I332-R336 WeakPolarHBondContact O-CG 3.4Å; I332-R336 PolarHBondContact O-N 3.15Å |
| 333 | I | 71.6 | Confident | 66.1 | Low | 79 Ų | 79 | 115 Ų | 115 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -44.4 | 178.6 | -70 | 165.1 | 0 | 0 | 0 | 111.5 | R329 R336 R337 | R329-I333 WeakPolarHBondContact O-CD1 3.26Å; R329-I333 VanDerWaalsContact O-CG1 3.24Å; R329-I333 WeakPolarHBondContact O-CG1 3.35Å; R329-I333 PolarHBondContact O-N 3.25Å; I333-R336 PolarHBondContact O-N 2.75Å; I333-R337 PolarHBondContact O-N 3.31Å; I333-R337 VanDerWaalsContact O-N 3.08Å |
| 334 | S | 71.3 | Confident | 66.3 | Low | 43 Ų | 43 | 115.9 Ų | 115.9 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.7 | -35.9 | 179 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | M330 R331 R337 R338 | M330-S334 WeakPolarHBondContact O-CB 3.4Å; M330-S334 PolarHBondContact O-N 3.06Å; M330-S334 PolarHBondContact O-OG 3.28Å; R331-S334 PolarHBondContact O-N 3.29Å; R331-S334 PolarHBondContact O-OG 3.1Å; R331-S334 VanDerWaalsContact O-OG 3.04Å; S334-R337 PolarHBondContact O-N 3.45Å; S334-R338 WeakPolarHBondContact O-CG 3.44Å; S334-R338 PolarHBondContact O-N 2.76Å; S334-R338 VanDerWaalsContact O-N 3.08Å |
| 335 | A | 72.1 | Confident | 66.2 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.8 | -48.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R331 I332 R337 R338 A339 | R331-A335 WeakPolarHBondContact O-CB 3.45Å; R331-A335 PolarHBondContact O-N 2.93Å; I332-A335 PolarHBondContact O-N 3.25Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.12Å; A335-R338 PolarHBondContact O-N 2.83Å; A335-A339 PolarHBondContact O-N 3.46Å |
| 336 | R | 72.1 | Confident | 66.1 | Low | 191 Ų | 191 | 122.5 Ų | 122.5 | 72% | 0.721 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.3 | -41 | 176.1 | -74.1 | -178.1 | 178.5 | -179.3 | 2.3 | 112.1 | I332 I333 A339 A340 | I332-R336 WeakPolarHBondContact O-CG 3.4Å; I332-R336 PolarHBondContact O-N 3.15Å; I333-R336 PolarHBondContact O-N 2.75Å; R336-A339 PolarHBondContact O-N 3.23Å; R336-A340 PolarHBondContact O-N 3.4Å |
| 337 | R | 73.9 | Confident | 65.7 | Low | 192 Ų | 192 | 124.7 Ų | 124.7 | 73% | 0.725 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64 | -39 | 175.7 | -76.1 | -177.9 | 172.8 | -175.1 | -1.8 | 113.3 | I333 S334 A335 K341 | I333-R337 PolarHBondContact O-N 3.31Å; I333-R337 VanDerWaalsContact O-N 3.08Å; S334-R337 PolarHBondContact O-N 3.45Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.12Å; R337-K341 PolarHBondContact O-N 3.03Å; R337-K341 VanDerWaalsContact O-N 3.15Å |
| 338 | R | 71.3 | Confident | 64.8 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 67% | 0.672 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.1 | -44.8 | 175.4 | -69.7 | 174.7 | -172.2 | 165 | 3 | 111.6 | S334 A335 A340 K341 Q342 | S334-R338 WeakPolarHBondContact O-CG 3.44Å; S334-R338 PolarHBondContact O-N 2.76Å; S334-R338 VanDerWaalsContact O-N 3.08Å; A335-R338 PolarHBondContact O-N 2.83Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 2.75Å; R338-K341 PolarHBondContact O-N 3.12Å; R338-Q342 PolarHBondContact O-N 3.45Å |
| 339 | A | 73.2 | Confident | 63.8 | Low | 47 Ų | 47 | 126.5 Ų | 126.5 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.7 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A335 R336 R343 | A335-A339 PolarHBondContact O-N 3.46Å; R336-A339 PolarHBondContact O-N 3.23Å; A339-R343 PolarHBondContact O-N 3.25Å |
| 340 | A | 74.7 | Confident | 62.9 | Low | 54 Ų | 54 | 129.4 Ų | 129.4 | 45% | 0.446 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.5 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R336 R338 Q342 R343 L344 | R336-A340 PolarHBondContact O-N 3.4Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 2.75Å; A340-Q342 VanDerWaalsContact C-N 3.32Å; A340-Q342 PolarHBondContact O-N 2.9Å; A340-R343 PolarHBondContact O-N 3.15Å; A340-L344 PolarHBondContact O-N 3.3Å |
| 341 | K | 68.5 | Low | 61.4 | Low | 168 Ų | 168 | 128.3 Ų | 128.3 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.2 | -32.9 | 178 | -85.4 | -167 | 172.5 | -173 | 0 | 113.5 | R337 R338 | R337-K341 PolarHBondContact O-N 3.03Å; R337-K341 VanDerWaalsContact O-N 3.15Å; R338-K341 PolarHBondContact O-N 3.12Å |
| 342 | Q | 62.8 | Low | 59.8 | Low | 118 Ų | 118 | 125.3 Ų | 125.3 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.6 | -43.5 | 174.6 | -75.3 | -177.6 | -19.1 | 0 | 0 | 112 | R338 A340 L344 K345 | R338-Q342 PolarHBondContact O-N 3.45Å; A340-Q342 VanDerWaalsContact C-N 3.32Å; A340-Q342 PolarHBondContact O-N 2.9Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 2.94Å; Q342-K345 PolarHBondContact O-N 3.42Å; Q342-K345 VanDerWaalsContact O-N 3.1Å |
| 343 | R | 62.2 | Low | 58 | Low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.1 | -29 | -179.6 | -76.7 | 179.4 | 171.6 | 171.2 | -2.6 | 114 | A339 A340 | A339-R343 PolarHBondContact O-N 3.25Å; A340-R343 PolarHBondContact O-N 3.15Å |
| 344 | L | 62.1 | Low | 56 | Low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.4 | -19 | 175.4 | -93.1 | 84.7 | 0 | 0 | 0 | 114.5 | A340 Q342 | A340-L344 PolarHBondContact O-N 3.3Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 2.94Å |
| 345 | K | 56 | Low | 54.2 | Low | 186 Ų | 186 | 135.3 Ų | 135.3 | 81% | 0.809 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -89.9 | -10.1 | -173.6 | -82.1 | -161.6 | 170.3 | -164.5 | 0 | 115.2 | Q342 | Q342-K345 PolarHBondContact O-N 3.42Å; Q342-K345 VanDerWaalsContact O-N 3.1Å |
| 346 | Q | 56.7 | Low | 52.2 | Low | 124 Ų | 124 | 136.5 Ų | 136.5 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -93.8 | -4.1 | -179.2 | -69.2 | -174.4 | -75.5 | 0 | 0 | 114.2 | K692 | Q346-K692 PolarHBondContact NE2-O 2.72Š|
| 347 | T | 51.5 | Low | 50.1 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -116.2 | 42.5 | -174.8 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 348 | G | 43.2 | Very low | 47.9 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | trans | -168.5 | 59.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 349 | K | 39.2 | Very low | 45.8 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | trans | -146.8 | 90 | 165.6 | -87 | -163.9 | 172.2 | -168.1 | 0 | 109.3 | ||||
| 350 | D | 38.5 | Very low | 43.9 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -173.1 | 153.8 | 150.6 | -89.7 | -30.8 | 0 | 0 | 0 | 106.9 | ||
| 351 | A | 35.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | 58.1 | 88.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 352 | S | 32.3 | Very low | 39.6 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -85.6 | 136.4 | 160 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 353 | F | 29.8 | Very low | 38.2 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.803 | 73% | 0.733 | S | S | * | * | -162.6 | 166.2 | 117.6 | -144.9 | -111.5 | 0 | 0 | 0 | 112.5 | |||||
| 354 | N | 29.9 | Very low | 36.5 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 178.3 | -170.8 | -42 | -5.3 | 0 | 0 | 0 | 114 | ||||
| 355 | D | 32.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | cis | -156.5 | 169.1 | 17.3 | -137.1 | -37.5 | 0 | 0 | 0 | 115.5 | ||||
| 356 | S | 29.6 | Very low | 33.4 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | trans | 49.3 | 115.6 | 143.6 | 71.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 357 | N | 28.5 | Very low | 32.1 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | 86.2 | 149.7 | 125.5 | -60.9 | 1 | 0 | 0 | 0 | 118.9 | |||||
| 358 | F | 27.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | cis | -143.5 | -176.1 | -6.9 | -146.5 | -123.5 | 0 | 0 | 0 | 112 | ||||
| 359 | E | 27.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | trans | -57.9 | 164.4 | 172.8 | -52.6 | 175.7 | 148.4 | 0 | 0 | 110.8 | ||||
| 360 | D | 33.2 | Very low | 29.7 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -135.5 | 163.5 | 45.5 | -64.1 | -51.1 | 0 | 0 | 0 | 112.3 | ||||
| 361 | S | 27.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | 47.2 | 148.7 | 65.9 | -92.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 362 | E | 27 | Very low | 29.2 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | cis | -176.1 | 121.7 | -17.4 | -114.9 | 174.2 | 128.4 | 0 | 0 | 103.9 | F364 | E362-F364 HydrophobicContact CG-CD2 4.26Å; E362-F364 HydrophobicContact CG-CE2 4.42Å | ||
| 363 | L | 32.3 | Very low | 29.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -164.7 | 92.8 | 163.7 | -135.2 | 72.2 | 0 | 0 | 0 | 106.7 | ||||
| 364 | F | 26 | Very low | 30.1 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | 59.8 | 121.6 | 53.1 | -91.4 | -71.4 | 0 | 0 | 0 | 114.8 | E362 | E362-F364 HydrophobicContact CG-CD2 4.26Å; E362-F364 HydrophobicContact CG-CE2 4.42Å | |||
| 365 | A | 27.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 65.4 | 170.4 | 159 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 366 | E | 26.7 | Very low | 31.8 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | cis | -149.5 | 161.9 | -2 | -152.9 | 176.3 | 160 | 0 | 0 | 111.9 | ||||
| 367 | S | 28.4 | Very low | 32.9 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 65.1 | 152.8 | 149.2 | 68.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 368 | K | 27.3 | Very low | 33.8 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | cis | 163.8 | 156.7 | -33.3 | -101.9 | 167.5 | -178.4 | 169.2 | 0 | 105.1 | ||||
| 369 | S | 27.2 | Very low | 34.9 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 68.6 | 145.4 | -168.3 | 85.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 370 | H | 30.3 | Very low | 35.9 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | cis | -92.2 | 164.3 | 5.4 | -124.7 | -112.5 | 0 | 0 | 0 | 115 | ||||
| 371 | S | 28.5 | Very low | 36.5 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -104.6 | 167.7 | -165.8 | -167.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 372 | S | 33.9 | Very low | 37.5 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 73.5 | 52.9 | 146.7 | -164.6 | 0 | 0 | 0 | 0 | 120.6 | ||
| 373 | Y | 39.8 | Very low | 38.6 | Very low | 213 Ų | 213 | 157 Ų | 157 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -140.3 | -17.3 | 158 | -98.9 | -80.6 | 0 | 0 | 0 | 116.6 | ||
| 374 | G | 41.7 | Very low | 39.5 | Very low | 55 Ų | 55 | 152.5 Ų | 152.5 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -72.7 | -46.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L376 L377 | G374-L376 VanDerWaalsContact C-N 3.27Å; G374-L376 PolarHBondContact O-N 3.01Å; G374-L377 PolarHBondContact O-N 3.48Å; G374-L377 VanDerWaalsContact O-N 3.13Å |
| 375 | D | 44.8 | Very low | 41 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -70.1 | -20.5 | -166.7 | -72.4 | -63.9 | 0 | 0 | 0 | 114.9 | L377 R378 | D375-L377 VanDerWaalsContact C-N 3.27Å; D375-L377 PolarHBondContact O-N 3.46Å; D375-R378 PolarHBondContact O-N 3.08Å |
| 376 | L | 53.4 | Low | 42.4 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -66.9 | -27.5 | 174.8 | -121.2 | 157.9 | 0 | 0 | 0 | 112.4 | G374 | G374-L376 VanDerWaalsContact C-N 3.27Å; G374-L376 PolarHBondContact O-N 3.01Å |
| 377 | L | 52.1 | Low | 43.9 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -79.3 | -28.6 | 176.1 | -70.2 | 168.6 | 0 | 0 | 0 | 112.7 | G374 D375 | G374-L377 PolarHBondContact O-N 3.48Å; G374-L377 VanDerWaalsContact O-N 3.13Å; D375-L377 VanDerWaalsContact C-N 3.27Å; D375-L377 PolarHBondContact O-N 3.46Å |
| 378 | R | 48 | Very low | 45.3 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -69.3 | -38.8 | -174.6 | -170 | 171.9 | 174.1 | -176.8 | -1.9 | 112.6 | D375 R380 | D375-R378 PolarHBondContact O-N 3.08Å; R378-R380 PolarHBondContact O-N 2.95Å |
| 379 | R | 49.7 | Very low | 47.1 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.9 | -178.4 | -82.7 | -178.1 | 166.8 | 171.6 | -3.2 | 115.8 | ||
| 380 | R | 48.6 | Very low | 48.9 | Very low | 225 Ų | 225 | 151.1 Ų | 151.1 | 85% | 0.849 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -9.3 | -174.5 | -150.9 | 171.5 | -174.4 | 173.6 | 1.6 | 114.5 | R378 | R378-R380 PolarHBondContact O-N 2.95Š|
| 381 | K | 45 | Very low | 50.9 | Low | 175 Ų | 175 | 145.1 Ų | 145.1 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -91.4 | -15 | -163.7 | -147.1 | 169.7 | -172.6 | 175.3 | 0 | 115.8 | R383 | K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 3.22Å |
| 382 | E | 49.3 | Very low | 52.9 | Low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -15.8 | -170.5 | -66 | 173.3 | 158.6 | 0 | 0 | 114 | ||
| 383 | R | 49.3 | Very low | 54.8 | Low | 242 Ų | 242 | 149 Ų | 149 | 91% | 0.913 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 1.2 | -169.3 | -140.7 | 176.4 | -66.9 | -172.7 | -0.5 | 116 | K381 | K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 3.22Å |
| 384 | C | 52.7 | Low | 56.6 | Low | 81 Ų | 81 | 142.8 Ų | 142.8 | 55% | 0.547 | 66% | 0.657 | S | S | . | * | trans | -129.3 | 14.3 | -166.5 | -152.2 | 0 | 0 | 0 | 0 | 116.4 | G386 | C384-G386 VanDerWaalsContact C-N 3.29Å; C384-G386 PolarHBondContact O-N 3.12Å | ||
| 385 | Q | 56.5 | Low | 58.5 | Low | 122 Ų | 122 | 144.5 Ų | 144.5 | 57% | 0.57 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.8 | -24.6 | -177 | -70.1 | -160 | 16 | 0 | 0 | 115 | R389 | Q385-R389 WeakPolarHBondContact O-CG 3.08Å |
| 386 | G | 56.8 | Low | 59.9 | Low | 58 Ų | 58 | 146.1 Ų | 146.1 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.5 | -47.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | C384 R389 | C384-G386 VanDerWaalsContact C-N 3.29Å; C384-G386 PolarHBondContact O-N 3.12Å; G386-R389 PolarHBondContact O-N 2.94Å |
| 387 | C | 59.2 | Low | 61.2 | Low | 94 Ų | 94 | 141.3 Ų | 141.3 | 64% | 0.635 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.3 | -41.5 | -173.1 | -163.8 | 0 | 0 | 0 | 0 | 112.4 | R389 R390 E391 | C387-R389 PolarHBondContact O-N 3.03Å; C387-R390 WeakPolarHBondContact O-CA 3.35Å; C387-R390 WeakPolarHBondContact O-CB 3.48Å; C387-R390 PolarHBondContact O-N 3.44Å; C387-E391 PolarHBondContact O-N 2.82Å |
| 388 | W | 58.4 | Low | 62.7 | Low | 161 Ų | 161 | 136.4 Ų | 136.4 | 61% | 0.61 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.1 | -30.7 | 175.8 | -99.8 | 74.2 | 0 | 0 | 0 | 113.7 | R390 K392 | W388-R390 VanDerWaalsContact C-N 3.27Å; W388-R390 PolarHBondContact O-N 2.73Å; W388-K392 PolarHBondContact O-N 2.88Å |
| 389 | R | 63.3 | Low | 64.3 | Low | 156 Ų | 156 | 129 Ų | 129 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77 | -8 | 175 | -61.9 | -179.9 | -162 | -168.7 | 6.8 | 113.4 | Q385 G386 C387 R393 | Q385-R389 WeakPolarHBondContact O-CG 3.08Å; G386-R389 PolarHBondContact O-N 2.94Å; C387-R389 PolarHBondContact O-N 3.03Å; R389-R393 PolarHBondContact O-NE 2.83Å; R389-R393 PolarHBondContact O-NH2 3.01Å |
| 390 | R | 65.9 | Low | 65.9 | Low | 181 Ų | 181 | 126.6 Ų | 126.6 | 68% | 0.683 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -95.5 | -45 | 175.5 | -161.8 | 169.8 | -175.2 | 158 | -0.2 | 111.1 | C387 W388 K392 R393 I394 | C387-R390 WeakPolarHBondContact O-CA 3.35Å; C387-R390 WeakPolarHBondContact O-CB 3.48Å; C387-R390 PolarHBondContact O-N 3.44Å; W388-R390 VanDerWaalsContact C-N 3.27Å; W388-R390 PolarHBondContact O-N 2.73Å; R390-K392 PolarHBondContact O-N 3Å; R390-R393 PolarHBondContact O-N 3.3Å; R390-I394 PolarHBondContact O-N 3.39Å |
| 391 | E | 72.7 | Confident | 67.6 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 32% | 0.322 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 176.3 | -165 | -142.4 | 128.9 | 0 | 0 | 112.2 | C387 R393 I394 R395 | C387-E391 PolarHBondContact O-N 2.82Å; E391-R393 PolarHBondContact O-N 3.06Å; E391-I394 PolarHBondContact O-N 2.88Å; E391-I394 VanDerWaalsContact O-N 3.08Å; E391-R395 PolarHBondContact O-N 3.04Å; E391-R395 IonicContact OE1-CZ 3.72Å; E391-R395 IonicContact OE1-NE 2.89Å; E391-R395 PolarHBondContact OE1-NE 3.33Å; E391-R395 IonicContact OE1-NH2 3.15Å; E391-R395 PolarHBondContact OE1-NH2 3.3Å |
| 392 | K | 69.9 | Low | 69.4 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.4 | -34.3 | 176.6 | -77.2 | -167.6 | 172.4 | -168.5 | 0 | 113.1 | W388 R390 Y396 | W388-K392 PolarHBondContact O-N 2.88Å; R390-K392 PolarHBondContact O-N 3Å; K392-Y396 WeakPolarHBondContact O-CB 3.33Å; K392-Y396 PolarHBondContact O-N 3.01Å; K392-Y396 VanDerWaalsContact O-N 3.1Å |
| 393 | R | 74.5 | Confident | 70.9 | Confident | 175 Ų | 175 | 109.4 Ų | 109.4 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 176.6 | -82.8 | -173.8 | -80.5 | 177.2 | -5.3 | 112.3 | R389 R390 E391 Y396 A397 | R389-R393 PolarHBondContact O-NE 2.83Å; R389-R393 PolarHBondContact O-NH2 3.01Å; R390-R393 PolarHBondContact O-N 3.3Å; E391-R393 PolarHBondContact O-N 3.06Å; R393-Y396 PolarHBondContact O-N 3.25Å; R393-A397 WeakPolarHBondContact O-CB 3.36Å; R393-A397 PolarHBondContact O-N 3.06Å |
| 394 | I | 77 | Confident | 72.6 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 176.7 | -64.1 | 168.5 | 0 | 0 | 0 | 110.4 | R390 E391 Y396 A397 I398 Y457 | R390-I394 PolarHBondContact O-N 3.39Å; E391-I394 PolarHBondContact O-N 2.88Å; E391-I394 VanDerWaalsContact O-N 3.08Å; I394-Y396 VanDerWaalsContact C-N 3.32Å; I394-Y396 PolarHBondContact O-N 3.48Å; I394-A397 PolarHBondContact O-N 3.36Å; I394-A397 VanDerWaalsContact O-N 3.16Å; I394-I398 HydrophobicContact CG2-CD1 4Å; I394-I398 PolarHBondContact O-N 3.33Å; I394-Y457 HydrophobicContact CG2-CE1 4.34Å |
| 395 | R | 80.7 | Confident | 74 | Confident | 91 Ų | 91 | 99 Ų | 99 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 178.5 | -157.8 | -172.8 | -66.4 | -134.1 | 7 | 112.2 | E391 R399 Y457 | E391-R395 PolarHBondContact O-N 3.04Å; E391-R395 IonicContact OE1-CZ 3.72Å; E391-R395 IonicContact OE1-NE 2.89Å; E391-R395 PolarHBondContact OE1-NE 3.33Å; E391-R395 IonicContact OE1-NH2 3.15Å; E391-R395 PolarHBondContact OE1-NH2 3.3Å; R395-R399 WeakPolarHBondContact O-CB 3.34Å; R395-R399 PolarHBondContact O-N 3.46Å; R395-Y457 HydrophobicContact CB-CE1 4.28Å; R395-Y457 HydrophobicContact CG-CE1 4.21Å |
| 396 | Y | 76.2 | Confident | 75.4 | Confident | 157 Ų | 157 | 95.5 Ų | 95.5 | 62% | 0.616 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 173.2 | -178.7 | -96.9 | 0 | 0 | 0 | 112.7 | K392 R393 I394 R399 R400 | K392-Y396 WeakPolarHBondContact O-CB 3.33Å; K392-Y396 PolarHBondContact O-N 3.01Å; K392-Y396 VanDerWaalsContact O-N 3.1Å; R393-Y396 PolarHBondContact O-N 3.25Å; I394-Y396 VanDerWaalsContact C-N 3.32Å; I394-Y396 PolarHBondContact O-N 3.48Å; Y396-R399 PolarHBondContact O-N 3.15Å; Y396-R400 PolarHBondContact O-N 3.47Å |
| 397 | A | 80.6 | Confident | 76.8 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R393 I394 R400 M401 | R393-A397 WeakPolarHBondContact O-CB 3.36Å; R393-A397 PolarHBondContact O-N 3.06Å; I394-A397 PolarHBondContact O-N 3.36Å; I394-A397 VanDerWaalsContact O-N 3.16Å; A397-R400 WeakPolarHBondContact O-CB 3.08Å; A397-R400 PolarHBondContact O-N 3.49Å; A397-M401 PolarHBondContact O-N 3.37Å |
| 398 | I | 82.4 | Confident | 77.8 | Confident | 36 Ų | 36 | 93.2 Ų | 93.2 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.1 | -66.7 | 171.4 | 0 | 0 | 0 | 110.9 | I394 R400 M401 V402 L454 Y457 | I394-I398 HydrophobicContact CG2-CD1 4Å; I394-I398 PolarHBondContact O-N 3.33Å; I398-R400 VanDerWaalsContact C-N 3.32Å; I398-R400 PolarHBondContact O-N 3.17Å; I398-M401 WeakPolarHBondContact O-CB 3.49Å; I398-M401 PolarHBondContact O-N 2.99Å; I398-V402 HydrophobicContact CG2-CG2 4.34Å; I398-V402 WeakPolarHBondContact O-CG2 3.17Å; I398-V402 PolarHBondContact O-N 3.19Å; I398-L454 HydrophobicContact CG2-CD2 4.36Å; I398-Y457 HydrophobicContact CB-CD1 4.49Å; I398-Y457 HydrophobicContact CD1-CD1 3.66Å; I398-Y457 HydrophobicContact CD1-CE1 3.77Å; I398-Y457 HydrophobicContact CG2-CD1 4.4Å |
| 399 | R | 82.3 | Confident | 79 | Confident | 42 Ų | 42 | 91 Ų | 91 | 16% | 0.158 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 172.4 | -175.7 | 178.1 | -72.8 | -160.7 | -2.3 | 112.2 | E316 R395 Y396 M401 K403 G458 L459 | E316-R399 WeakPolarHBondContact OE1-CD 3.26Å; E316-R399 IonicContact OE1-CZ 2.65Å; E316-R399 IonicContact OE1-NH1 3.55Å; E316-R399 PolarHBondContact OE1-NH1 2.99Å; R395-R399 WeakPolarHBondContact O-CB 3.34Å; R395-R399 PolarHBondContact O-N 3.46Å; Y396-R399 PolarHBondContact O-N 3.15Å; R399-M401 VanDerWaalsContact C-N 3.33Å; R399-K403 HydrophobicContact CG-CD 4.23Å; R399-K403 WeakPolarHBondContact O-CB 3.15Å; R399-K403 PolarHBondContact O-N 3.26Å; R399-G458 PolarHBondContact NE-O 3.06Å; R399-L459 PolarHBondContact NH2-O 3.22Å; R399-L459 VanDerWaalsContact NH2-O 3.08Å |
| 400 | R | 82.8 | Confident | 80.1 | Confident | 174 Ų | 174 | 87.3 Ų | 87.3 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.6 | -36.7 | 175.5 | -175.3 | 176.3 | 176.5 | -177.9 | -2.1 | 112 | Y396 A397 I398 S404 | Y396-R400 PolarHBondContact O-N 3.47Å; A397-R400 WeakPolarHBondContact O-CB 3.08Å; A397-R400 PolarHBondContact O-N 3.49Å; I398-R400 VanDerWaalsContact C-N 3.32Å; I398-R400 PolarHBondContact O-N 3.17Å; R400-S404 VanDerWaalsContact O-CB 3.31Å; R400-S404 WeakPolarHBondContact O-CB 3.32Å; R400-S404 PolarHBondContact O-N 3.48Å; R400-S404 PolarHBondContact O-OG 3.05Å |
| 401 | M | 84.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 39% | 0.389 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -52.4 | 174.5 | -170.2 | -178.4 | 78 | 0 | 0 | 111.6 | A397 I398 R399 K403 S404 L454 | A397-M401 PolarHBondContact O-N 3.37Å; I398-M401 WeakPolarHBondContact O-CB 3.49Å; I398-M401 PolarHBondContact O-N 2.99Å; R399-M401 VanDerWaalsContact C-N 3.33Å; M401-K403 VanDerWaalsContact C-N 3.34Å; M401-K403 PolarHBondContact O-N 3.33Å; M401-S404 PolarHBondContact O-N 3Å; M401-S404 PolarHBondContact O-OG 2.93Å; M401-L454 HydrophobicContact CE-CD1 3.89Å; M401-L454 HydrophobicContact CE-CD2 3.97Å; M401-L454 HydrophobicContact CE-CG 4.42Å |
| 402 | V | 83 | Confident | 81.3 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -33.9 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | I398 S404 F407 L454 K455 | I398-V402 HydrophobicContact CG2-CG2 4.34Å; I398-V402 WeakPolarHBondContact O-CG2 3.17Å; I398-V402 PolarHBondContact O-N 3.19Å; V402-S404 VanDerWaalsContact C-N 3.27Å; V402-S404 PolarHBondContact O-N 3.23Å; V402-F407 HydrophobicContact CG1-CD1 4.39Å; V402-F407 HydrophobicContact CG1-CE1 4.09Å; V402-F407 HydrophobicContact CG2-CE1 4.39Å; V402-F407 HydrophobicContact CG2-CZ 4.29Å; V402-L454 HydrophobicContact CG2-CB 4.37Å; V402-K455 HydrophobicContact CG1-CG 4.09Å |
| 403 | K | 79.8 | Confident | 82.1 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.7 | 173.5 | -72.9 | -173.5 | 174 | -179.4 | 0 | 113.9 | E316 R399 M401 | E316-K403 IonicContact OE1-NZ 2.84Å; E316-K403 PolarHBondContact OE1-NZ 3.35Å; E316-K403 IonicContact OE2-NZ 3.98Å; R399-K403 HydrophobicContact CG-CD 4.23Å; R399-K403 WeakPolarHBondContact O-CB 3.15Å; R399-K403 PolarHBondContact O-N 3.26Å; M401-K403 VanDerWaalsContact C-N 3.34Å; M401-K403 PolarHBondContact O-N 3.33Å |
| 404 | S | 84.6 | Confident | 82.7 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -104.9 | 154.4 | -178.6 | 67 | 0 | 0 | 0 | 0 | 113.3 | R400 M401 V402 P406 | R400-S404 VanDerWaalsContact O-CB 3.31Å; R400-S404 WeakPolarHBondContact O-CB 3.32Å; R400-S404 PolarHBondContact O-N 3.48Å; R400-S404 PolarHBondContact O-OG 3.05Å; M401-S404 PolarHBondContact O-N 3Å; M401-S404 PolarHBondContact O-OG 2.93Å; V402-S404 VanDerWaalsContact C-N 3.27Å; V402-S404 PolarHBondContact O-N 3.23Å; S404-P406 VanDerWaalsContact O-CD 3.27Å; S404-P406 WeakPolarHBondContact O-CD 3.31Å; S404-P406 WeakPolarHBondContact OG-CD 3.39Å |
| 405 | Q | 83.5 | Confident | 83 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -22.6 | -176.6 | -58.1 | -67.1 | -7.2 | 0 | 0 | 117.1 | Y408 W409 F2032 | Q405-Y408 WeakPolarHBondContact O-CB 3.43Å; Q405-Y408 PolarHBondContact O-N 3.16Å; Q405-W409 VanDerWaalsContact O-CD1 3.27Å; Q405-W409 PolarHBondContact O-N 2.93Å; Q405-F2032 HydrophobicContact CB-CD2 4.31Å; Q405-F2032 HydrophobicContact CB-CE2 4.46Å; Q405-F2032 HydrophobicContact CG-CD2 3.67Å; Q405-F2032 HydrophobicContact CG-CE1 4.31Å; Q405-F2032 HydrophobicContact CG-CE2 3.36Å; Q405-F2032 HydrophobicContact CG-CG 4.3Å; Q405-F2032 HydrophobicContact CG-CZ 3.72Å |
| 406 | P | 86.1 | Confident | 83.1 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.2 | -38.9 | -173.3 | 18.2 | -10.6 | 0 | 0 | 0 | 109.4 | S404 Y408 W409 V410 H2031 | S404-P406 VanDerWaalsContact O-CD 3.27Å; S404-P406 WeakPolarHBondContact O-CD 3.31Å; S404-P406 WeakPolarHBondContact OG-CD 3.39Å; P406-Y408 PolarHBondContact O-N 2.7Å; P406-W409 PolarHBondContact O-N 3.01Å; P406-V410 VanDerWaalsContact O-CB 3.3Å; P406-V410 WeakPolarHBondContact O-CB 3.37Å; P406-V410 WeakPolarHBondContact O-CG2 3.02Å; P406-V410 PolarHBondContact O-N 3.35Å; P406-H2031 WeakPolarHBondContact CD-NE2 3.3Å; P406-H2031 WeakPolarHBondContact CG-NE2 3.46Å |
| 407 | F | 85.9 | Confident | 83.6 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.4 | -41.2 | 170.8 | -168.5 | -99.4 | 0 | 0 | 0 | 111 | V402 V411 E451 L454 K455 | V402-F407 HydrophobicContact CG1-CD1 4.39Å; V402-F407 HydrophobicContact CG1-CE1 4.09Å; V402-F407 HydrophobicContact CG2-CE1 4.39Å; V402-F407 HydrophobicContact CG2-CZ 4.29Å; F407-V411 HydrophobicContact CE1-CG2 4.36Å; F407-V411 WeakPolarHBondContact O-CB 3.43Å; F407-V411 WeakPolarHBondContact O-CG2 3.47Å; F407-V411 PolarHBondContact O-N 3.03Å; F407-E451 HydrophobicContact CE1-CG 4.23Å; F407-E451 HydrophobicContact CZ-CG 3.71Å; F407-L454 HydrophobicContact CE2-CD1 4.16Å; F407-K455 HydrophobicContact CE1-CG 4.41Å; F407-K455 HydrophobicContact CZ-CG 4.5Å |
| 408 | Y | 78.9 | Confident | 83.8 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -51.8 | 174.8 | 165.2 | -126.2 | 0 | 0 | 0 | 113.2 | Q405 P406 V410 V411 I412 Y514 M2030 | Q405-Y408 WeakPolarHBondContact O-CB 3.43Å; Q405-Y408 PolarHBondContact O-N 3.16Å; P406-Y408 PolarHBondContact O-N 2.7Å; Y408-V410 PolarHBondContact O-N 3.29Å; Y408-V411 PolarHBondContact O-N 3.23Å; Y408-I412 HydrophobicContact CD2-CD1 4.25Å; Y408-I412 HydrophobicContact CD2-CG1 4.45Å; Y408-I412 HydrophobicContact CE2-CD1 3.34Å; Y408-I412 HydrophobicContact CE2-CG1 3.95Å; Y408-I412 PolarHBondContact O-N 2.79Å; Y408-I412 WeakPolarHBondContact OH-CD1 3.33Å; Y408-Y514 AromaticContact CD2-CD1 3.85Å; Y408-Y514 HydrophobicContact CD2-CD1 3.85Å; Y408-Y514 AromaticContact CD2-CE1 3.56Å; Y408-Y514 HydrophobicContact CD2-CE1 3.56Å; Y408-Y514 HydrophobicContact CD2-CE2 4.38Å; Y408-Y514 HydrophobicContact CD2-CG 4.36Å; Y408-Y514 AromaticContact CD2-CZ 3.86Å; Y408-Y514 AromaticContact CE2-CD1 3.25Å; Y408-Y514 HydrophobicContact CE2-CD1 3.25Å; Y408-Y514 AromaticContact CE2-CD2 3.87Å; Y408-Y514 HydrophobicContact CE2-CD2 3.87Å; Y408-Y514 AromaticContact CE2-CE1 3.48Å; Y408-Y514 HydrophobicContact CE2-CE1 3.48Å; Y408-Y514 VanDerWaalsContact CE2-CE1 3.48Å; Y408-Y514 HydrophobicContact CE2-CE2 4.08Å; Y408-Y514 AromaticContact CE2-CG 3.45Å; Y408-Y514 HydrophobicContact CE2-CG 3.45Å; Y408-Y514 VanDerWaalsContact CE2-CG 3.45Å; Y408-Y514 AromaticContact CE2-CZ 3.89Å; Y408-M2030 HydrophobicContact CD1-CE 3.92Å; Y408-M2030 HydrophobicContact CE1-CE 3.59Å |
| 409 | W | 84.3 | Confident | 83.8 | Confident | 114 Ų | 114 | 62 Ų | 62 | 43% | 0.432 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 179 | -80.4 | 63.9 | 0 | 0 | 0 | 112.4 | Q405 P406 I412 I413 M2030 | Q405-W409 VanDerWaalsContact O-CD1 3.27Å; Q405-W409 PolarHBondContact O-N 2.93Å; P406-W409 PolarHBondContact O-N 3.01Å; W409-I412 PolarHBondContact O-N 3.17Å; W409-I413 WeakPolarHBondContact O-CD1 3.3Å; W409-I413 WeakPolarHBondContact O-CG1 3.14Å; W409-I413 PolarHBondContact O-N 3.23Å; W409-I413 VanDerWaalsContact O-N 3.17Å; W409-M2030 HydrophobicContact CB-CE 3.4Å; W409-M2030 VanDerWaalsContact CB-CE 3.4Å; W409-M2030 HydrophobicContact CB-SD 3.56Å; W409-M2030 VanDerWaalsContact CB-SD 3.56Å; W409-M2030 HydrophobicContact CD2-CB 3.63Å; W409-M2030 HydrophobicContact CD2-CE 2.27Å; W409-M2030 HydrophobicContact CD2-CG 3.32Å; W409-M2030 HydrophobicContact CD2-SD 2.4Å; W409-M2030 HydrophobicContact CE3-CB 3.6Å; W409-M2030 HydrophobicContact CE3-CE 3.25Å; W409-M2030 HydrophobicContact CE3-CG 3.88Å; W409-M2030 HydrophobicContact CE3-SD 3.45Å; W409-M2030 HydrophobicContact CG-CE 2.3Å; W409-M2030 HydrophobicContact CG-CG 4.08Å; W409-M2030 HydrophobicContact CG-SD 2.43Å; W409-M2030 HydrophobicContact CH2-CB 3.6Å; W409-M2030 HydrophobicContact CH2-CE 3.95Å; W409-M2030 HydrophobicContact CH2-CG 3.76Å; W409-M2030 HydrophobicContact CH2-SD 4.23Å; W409-M2030 HydrophobicContact CZ2-CB 3.65Å; W409-M2030 HydrophobicContact CZ2-CE 3.26Å; W409-M2030 HydrophobicContact CZ2-CG 3.21Å; W409-M2030 HydrophobicContact CZ2-SD 3.51Å; W409-M2030 VanDerWaalsContact CZ2-SD 3.51Å; W409-M2030 HydrophobicContact CZ3-CB 3.58Å; W409-M2030 HydrophobicContact CZ3-CE 3.94Å; W409-M2030 HydrophobicContact CZ3-CG 4.05Å; W409-M2030 HydrophobicContact CZ3-SD 4.2Å; W409-M2030 PolarHBondContact NE1-SD 3.25Å |
| 410 | V | 86.6 | Confident | 84 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.2 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | P406 Y408 I412 I413 L414 | P406-V410 VanDerWaalsContact O-CB 3.3Å; P406-V410 WeakPolarHBondContact O-CB 3.37Å; P406-V410 WeakPolarHBondContact O-CG2 3.02Å; P406-V410 PolarHBondContact O-N 3.35Å; Y408-V410 PolarHBondContact O-N 3.29Å; V410-I412 PolarHBondContact O-N 3.18Å; V410-I413 PolarHBondContact O-N 2.93Å; V410-L414 HydrophobicContact CG1-CD1 4.09Å; V410-L414 HydrophobicContact CG1-CG 4.44Å; V410-L414 WeakPolarHBondContact O-CG 3.5Å; V410-L414 PolarHBondContact O-N 2.97Å |
| 411 | V | 82.6 | Confident | 84 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 179.4 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | F407 Y408 I413 L414 V415 E451 | F407-V411 HydrophobicContact CE1-CG2 4.36Å; F407-V411 WeakPolarHBondContact O-CB 3.43Å; F407-V411 WeakPolarHBondContact O-CG2 3.47Å; F407-V411 PolarHBondContact O-N 3.03Å; Y408-V411 PolarHBondContact O-N 3.23Å; V411-I413 PolarHBondContact O-N 3.24Å; V411-L414 PolarHBondContact O-N 3.47Å; V411-V415 WeakPolarHBondContact O-CG2 3.44Å; V411-V415 PolarHBondContact O-N 2.67Å; V411-E451 WeakPolarHBondContact CG1-OE1 3.3Å; V411-E451 VanDerWaalsContact CG2-CD 3.42Å; V411-E451 HydrophobicContact CG2-CG 3.74Å; V411-E451 WeakPolarHBondContact CG2-OE1 3.46Å |
| 412 | I | 81.1 | Confident | 83.8 | Confident | 53 Ų | 53 | 52 Ų | 52 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.5 | -77.8 | -174.9 | 0 | 0 | 0 | 111.3 | Y408 W409 V410 L414 V415 F416 Y514 | Y408-I412 HydrophobicContact CD2-CD1 4.25Å; Y408-I412 HydrophobicContact CD2-CG1 4.45Å; Y408-I412 HydrophobicContact CE2-CD1 3.34Å; Y408-I412 HydrophobicContact CE2-CG1 3.95Å; Y408-I412 PolarHBondContact O-N 2.79Å; Y408-I412 WeakPolarHBondContact OH-CD1 3.33Å; W409-I412 PolarHBondContact O-N 3.17Å; V410-I412 PolarHBondContact O-N 3.18Å; I412-L414 VanDerWaalsContact C-N 3.33Å; I412-L414 PolarHBondContact O-N 2.78Å; I412-V415 PolarHBondContact O-N 2.86Å; I412-F416 PolarHBondContact O-N 3.45Å; I412-Y514 HydrophobicContact CD1-CD2 3.9Å; I412-Y514 HydrophobicContact CD1-CE2 4.44Å; I412-Y514 HydrophobicContact CD1-CG 4.3Å; I412-Y514 HydrophobicContact CG1-CD2 3.94Å; I412-Y514 HydrophobicContact CG1-CE2 4.04Å |
| 413 | I | 86.4 | Confident | 83.9 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | -179.6 | -68.5 | 164.9 | 0 | 0 | 0 | 111 | W409 V410 V411 F416 L417 | W409-I413 WeakPolarHBondContact O-CD1 3.3Å; W409-I413 WeakPolarHBondContact O-CG1 3.14Å; W409-I413 PolarHBondContact O-N 3.23Å; W409-I413 VanDerWaalsContact O-N 3.17Å; V410-I413 PolarHBondContact O-N 2.93Å; V411-I413 PolarHBondContact O-N 3.24Å; I413-F416 PolarHBondContact O-N 2.98Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.37Å; I413-L417 WeakPolarHBondContact O-CB 3.4Å; I413-L417 VanDerWaalsContact O-CG 3.28Å; I413-L417 WeakPolarHBondContact O-CG 3.18Å; I413-L417 PolarHBondContact O-N 3.44Å |
| 414 | L | 87.4 | Confident | 84.3 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 176.2 | -69.2 | 176 | 0 | 0 | 0 | 113 | V410 V411 I412 N418 F444 L447 F448 | V410-L414 HydrophobicContact CG1-CD1 4.09Å; V410-L414 HydrophobicContact CG1-CG 4.44Å; V410-L414 WeakPolarHBondContact O-CG 3.5Å; V410-L414 PolarHBondContact O-N 2.97Å; V411-L414 PolarHBondContact O-N 3.47Å; I412-L414 VanDerWaalsContact C-N 3.33Å; I412-L414 PolarHBondContact O-N 2.78Å; L414-N418 WeakPolarHBondContact O-CB 3.28Å; L414-N418 PolarHBondContact O-N 2.94Å; L414-N418 VanDerWaalsContact O-N 3.13Å; L414-F444 HydrophobicContact CD2-CE1 4.47Å; L414-L447 HydrophobicContact CD1-CB 4.3Å; L414-L447 HydrophobicContact CD1-CD1 4.47Å; L414-L447 HydrophobicContact CD2-CD1 3.77Å; L414-F448 HydrophobicContact CB-CE1 4.14Å; L414-F448 HydrophobicContact CB-CZ 4.3Å |
| 415 | V | 83.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -49 | 174 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | V411 I412 L417 N418 T419 F448 R507 K510 | V411-V415 WeakPolarHBondContact O-CG2 3.44Å; V411-V415 PolarHBondContact O-N 2.67Å; I412-V415 PolarHBondContact O-N 2.86Å; V415-L417 PolarHBondContact O-N 3.34Å; V415-N418 PolarHBondContact O-N 3.06Å; V415-T419 PolarHBondContact O-N 2.95Å; V415-T419 PolarHBondContact O-OG1 3.36Å; V415-F448 HydrophobicContact CG2-CE1 4.07Å; V415-F448 HydrophobicContact CG2-CZ 4.11Å; V415-R507 WeakPolarHBondContact CG1-O 3.38Å; V415-K510 HydrophobicContact CG2-CB 4.03Å; V415-K510 HydrophobicContact CG2-CD 3.54Å; V415-K510 HydrophobicContact CG2-CG 4.32Å |
| 416 | F | 83.2 | Confident | 84.6 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.8 | -47.6 | 179.3 | 175.3 | -98.4 | 0 | 0 | 0 | 112.1 | I412 I413 N418 T419 V420 | I412-F416 PolarHBondContact O-N 3.45Å; I413-F416 PolarHBondContact O-N 2.98Å; F416-N418 VanDerWaalsContact C-N 3.31Å; F416-N418 PolarHBondContact O-N 3.39Å; F416-T419 PolarHBondContact O-N 3.04Å; F416-V420 HydrophobicContact CD1-CG2 4.31Å; F416-V420 HydrophobicContact CE1-CG2 3.85Å; F416-V420 HydrophobicContact CE2-CG2 4.19Å; F416-V420 HydrophobicContact CZ-CG2 3.78Å; F416-V420 WeakPolarHBondContact O-CG2 3.29Å; F416-V420 PolarHBondContact O-N 2.74Å |
| 417 | L | 87.1 | Confident | 84.6 | Confident | 79 Ų | 79 | 50 Ų | 50 | 41% | 0.414 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.1 | -68.8 | 171.3 | 0 | 0 | 0 | 112.3 | I413 V415 V420 C421 F444 | I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.37Å; I413-L417 WeakPolarHBondContact O-CB 3.4Å; I413-L417 VanDerWaalsContact O-CG 3.28Å; I413-L417 WeakPolarHBondContact O-CG 3.18Å; I413-L417 PolarHBondContact O-N 3.44Å; V415-L417 PolarHBondContact O-N 3.34Å; L417-V420 PolarHBondContact O-N 3.15Å; L417-C421 PolarHBondContact O-N 2.84Å; L417-C421 VanDerWaalsContact O-N 3.12Å; L417-C421 PolarHBondContact O-SG 3.07Å; L417-C421 VanDerWaalsContact O-SG 3.41Å; L417-F444 HydrophobicContact CB-CE1 3.89Å; L417-F444 HydrophobicContact CB-CZ 3.71Å |
| 418 | N | 84.9 | Confident | 84.6 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 176.1 | -174.9 | -133 | 0 | 0 | 0 | 112.6 | L414 V415 F416 C421 G422 F444 F448 R507 | L414-N418 WeakPolarHBondContact O-CB 3.28Å; L414-N418 PolarHBondContact O-N 2.94Å; L414-N418 VanDerWaalsContact O-N 3.13Å; V415-N418 PolarHBondContact O-N 3.06Å; F416-N418 VanDerWaalsContact C-N 3.31Å; F416-N418 PolarHBondContact O-N 3.39Å; N418-C421 PolarHBondContact O-N 3.21Å; N418-G422 PolarHBondContact O-N 2.92Å; N418-F444 HydrophobicContact CB-CB 4.41Å; N418-F444 HydrophobicContact CB-CD1 3.89Å; N418-F444 HydrophobicContact CB-CD2 3.95Å; N418-F444 HydrophobicContact CB-CE1 4.1Å; N418-F444 HydrophobicContact CB-CE2 4.16Å; N418-F444 HydrophobicContact CB-CG 3.82Å; N418-F444 HydrophobicContact CB-CZ 4.25Å; N418-F444 WeakPolarHBondContact ND2-CD2 3.16Å; N418-F448 HydrophobicContact CB-CE2 4.46Å; N418-R507 WeakPolarHBondContact OD1-CD 3.46Å; N418-R507 PolarHBondContact OD1-NH1 3.47Å |
| 419 | T | 82.2 | Confident | 85.1 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 171.5 | -62.5 | 0 | 0 | 0 | 0 | 112 | V415 F416 C421 G422 A423 I508 F942 | V415-T419 PolarHBondContact O-N 2.95Å; V415-T419 PolarHBondContact O-OG1 3.36Å; F416-T419 PolarHBondContact O-N 3.04Å; T419-C421 PolarHBondContact O-N 3.32Å; T419-G422 PolarHBondContact O-N 2.96Å; T419-A423 PolarHBondContact O-N 3.01Å; T419-I508 HydrophobicContact CG2-CD1 3.88Å; T419-I508 HydrophobicContact CG2-CG1 4.39Å; T419-F942 HydrophobicContact CG2-CE1 3.67Å; T419-F942 HydrophobicContact CG2-CZ 4.01Å |
| 420 | V | 85 | Confident | 85.5 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | F416 L417 G422 A423 I424 | F416-V420 HydrophobicContact CD1-CG2 4.31Å; F416-V420 HydrophobicContact CE1-CG2 3.85Å; F416-V420 HydrophobicContact CE2-CG2 4.19Å; F416-V420 HydrophobicContact CZ-CG2 3.78Å; F416-V420 WeakPolarHBondContact O-CG2 3.29Å; F416-V420 PolarHBondContact O-N 2.74Å; L417-V420 PolarHBondContact O-N 3.15Å; V420-G422 PolarHBondContact O-N 3.28Å; V420-A423 PolarHBondContact O-N 2.61Å; V420-I424 HydrophobicContact CG1-CD1 3.78Å; V420-I424 WeakPolarHBondContact O-CD1 3.45Å; V420-I424 WeakPolarHBondContact O-CG1 3.27Å; V420-I424 PolarHBondContact O-N 2.62Å |
| 421 | C | 84.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | L417 N418 T419 A423 I424 L437 | L417-C421 PolarHBondContact O-N 2.84Å; L417-C421 VanDerWaalsContact O-N 3.12Å; L417-C421 PolarHBondContact O-SG 3.07Å; L417-C421 VanDerWaalsContact O-SG 3.41Å; N418-C421 PolarHBondContact O-N 3.21Å; T419-C421 PolarHBondContact O-N 3.32Å; C421-A423 PolarHBondContact O-N 3.25Å; C421-A423 VanDerWaalsContact O-N 3.16Å; C421-I424 PolarHBondContact O-N 2.87Å; C421-L437 HydrophobicContact CB-CD2 3.74Å; C421-L437 VanDerWaalsContact O-CD2 3.27Å; C421-L437 WeakPolarHBondContact O-CD2 3.42Å |
| 422 | G | 79.5 | Confident | 86.3 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -9.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N418 T419 V420 V946 | N418-G422 PolarHBondContact O-N 2.92Å; T419-G422 PolarHBondContact O-N 2.96Å; V420-G422 PolarHBondContact O-N 3.28Å; G422-V946 WeakPolarHBondContact O-CG1 3.31Å |
| 423 | A | 84.7 | Confident | 86.7 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 1.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T419 V420 C421 F942 V946 | T419-A423 PolarHBondContact O-N 3.01Å; V420-A423 PolarHBondContact O-N 2.61Å; C421-A423 PolarHBondContact O-N 3.25Å; C421-A423 VanDerWaalsContact O-N 3.16Å; A423-F942 HydrophobicContact CB-CE2 3.84Å; A423-F942 HydrophobicContact CB-CZ 3.63Å; A423-V946 HydrophobicContact CB-CG2 4.25Å |
| 424 | I | 88.9 | Confident | 86.7 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -95.2 | -12.1 | 176.2 | -70.8 | 164.1 | 0 | 0 | 0 | 111.3 | V420 C421 H426 L433 | V420-I424 HydrophobicContact CG1-CD1 3.78Å; V420-I424 WeakPolarHBondContact O-CD1 3.45Å; V420-I424 WeakPolarHBondContact O-CG1 3.27Å; V420-I424 PolarHBondContact O-N 2.62Å; C421-I424 PolarHBondContact O-N 2.87Å; I424-H426 PolarHBondContact O-ND1 3.03Å; I424-L433 HydrophobicContact CG2-CD1 3.73Å; I424-L433 HydrophobicContact CG2-CD2 3.74Å; I424-L433 HydrophobicContact CG2-CG 4.3Å |
| 425 | E | 83.8 | Confident | 86.8 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | trans | -62.8 | 135.3 | 175.2 | -69.7 | 179.6 | -117.4 | 0 | 0 | 111.8 | L437 Q950 | E425-L437 HydrophobicContact CG-CD1 3.55Å; E425-Q950 PolarHBondContact OE1-NE2 2.77Å; E425-Q950 VanDerWaalsContact OE1-NE2 3.12Å; E425-Q950 PolarHBondContact OE2-NE2 3.27Å | ||
| 426 | H | 89.3 | Confident | 87.2 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -154.1 | 159.3 | 179.9 | 55.2 | -76.6 | 0 | 0 | 0 | 110.2 | I424 Q429 D998 N999 | I424-H426 PolarHBondContact O-ND1 3.03Å; H426-Q429 WeakPolarHBondContact O-CB 3.28Å; H426-Q429 WeakPolarHBondContact O-CG 3.3Å; H426-Q429 PolarHBondContact O-N 2.87Å; H426-D998 CarbonylContact C-O 3.33Å; H426-D998 VanDerWaalsContact CA-O 3.22Å; H426-D998 WeakPolarHBondContact CA-O 3.37Å; H426-D998 WeakPolarHBondContact CB-O 3.3Å; H426-N999 HydrophobicContact CB-CB 4.11Å | ||
| 427 | H | 87.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 25% | 0.25 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 149.1 | 169.9 | -177.3 | -99.5 | 0 | 0 | 0 | 111.1 | Q429 G954 F957 D998 D1026 | H427-Q429 PolarHBondContact O-N 3.46Å; H427-G954 WeakPolarHBondContact CD2-CA 3.37Å; H427-F957 AromaticContact CE1-CE2 3.6Å; H427-F957 AromaticContact CE1-CZ 3.85Å; H427-F957 AromaticContact ND1-CE2 3.97Å; H427-D998 HydrophobicContact CB-CB 4Å; H427-D998 PolarHBondContact N-O 3.33Å; H427-D1026 IonicContact CD2-OD1 3.3Å; H427-D1026 IonicContact CE1-OD1 3.88Å; H427-D1026 PolarHBondContact CE1-OD1 3.42Å; H427-D1026 VanDerWaalsContact CE1-OD1 3.24Å; H427-D1026 IonicContact NE2-OD1 2.68Å; H427-D1026 PolarHBondContact NE2-OD1 3.37Å; H427-D1026 IonicContact NE2-OD2 2.95Å |
| 428 | G | 86.2 | Confident | 87.1 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 7.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 429 | Q | 88.3 | Confident | 87.3 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | trans | -57 | 139.4 | -173.4 | 62.5 | 173.7 | -27.9 | 0 | 0 | 114.1 | H426 H427 L433 | H426-Q429 WeakPolarHBondContact O-CB 3.28Å; H426-Q429 WeakPolarHBondContact O-CG 3.3Å; H426-Q429 PolarHBondContact O-N 2.87Å; H427-Q429 PolarHBondContact O-N 3.46Å; Q429-L433 HydrophobicContact CB-CD2 4.18Å | ||
| 430 | P | 93.2 | Very high | 87.5 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | trans | -69.2 | 142.9 | -175.3 | 28.2 | -36.1 | 0 | 0 | 0 | 112.1 | W432 L433 S434 | P430-W432 PolarHBondContact O-N 3.41Å; P430-L433 HydrophobicContact CG-CB 4.15Å; P430-L433 WeakPolarHBondContact O-CB 3.43Å; P430-L433 PolarHBondContact O-N 3.06Å; P430-S434 PolarHBondContact O-N 3.34Å | ||
| 431 | V | 90.8 | Very high | 87.3 | Confident | 116 Ų | 116 | 62 Ų | 62 | 70% | 0.703 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -52.8 | -32.7 | -172 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | L433 T435 | V431-L433 VanDerWaalsContact C-N 3.29Å; V431-L433 PolarHBondContact O-N 3.19Å; V431-T435 WeakPolarHBondContact O-CB 3.44Å; V431-T435 PolarHBondContact O-N 3.15Å; V431-T435 PolarHBondContact O-OG1 3.46Å |
| 432 | W | 94 | Very high | 87.3 | Confident | 177 Ų | 177 | 65.4 Ų | 65.4 | 67% | 0.67 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.1 | -33.9 | 176.8 | 75.7 | -99.5 | 0 | 0 | 0 | 112.5 | P430 F436 | P430-W432 PolarHBondContact O-N 3.41Å; W432-F436 VanDerWaalsContact O-CB 3.31Å; W432-F436 WeakPolarHBondContact O-CB 3.44Å; W432-F436 PolarHBondContact O-N 3.45Å |
| 433 | L | 91 | Very high | 87.8 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.3 | -47.1 | 179.5 | 175.3 | 58.6 | 0 | 0 | 0 | 110.4 | I424 Q429 P430 V431 T435 F436 L437 | I424-L433 HydrophobicContact CG2-CD1 3.73Å; I424-L433 HydrophobicContact CG2-CD2 3.74Å; I424-L433 HydrophobicContact CG2-CG 4.3Å; Q429-L433 HydrophobicContact CB-CD2 4.18Å; P430-L433 HydrophobicContact CG-CB 4.15Å; P430-L433 WeakPolarHBondContact O-CB 3.43Å; P430-L433 PolarHBondContact O-N 3.06Å; V431-L433 VanDerWaalsContact C-N 3.29Å; V431-L433 PolarHBondContact O-N 3.19Å; L433-T435 PolarHBondContact O-N 3.04Å; L433-F436 HydrophobicContact CD1-CD1 4.37Å; L433-F436 WeakPolarHBondContact O-CB 3.39Å; L433-F436 PolarHBondContact O-N 3.1Å; L433-F436 VanDerWaalsContact O-N 3.08Å; L433-L437 HydrophobicContact CD1-CD1 4.02Å; L433-L437 HydrophobicContact CD1-CD2 4.47Å; L433-L437 HydrophobicContact CD1-CG 3.97Å; L433-L437 HydrophobicContact CG-CD1 4.05Å; L433-L437 HydrophobicContact CG-CG 4.43Å; L433-L437 WeakPolarHBondContact O-CG 3Å; L433-L437 PolarHBondContact O-N 2.89Å |
| 434 | S | 85.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.9 | -42.8 | 172.9 | -42.2 | 0 | 0 | 0 | 0 | 111.5 | P430 Y438 | P430-S434 PolarHBondContact O-N 3.34Å; S434-Y438 WeakPolarHBondContact O-CB 3.26Å; S434-Y438 PolarHBondContact O-N 2.95Å |
| 435 | T | 89.3 | Confident | 87.8 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 176 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | V431 L433 Y439 | V431-T435 WeakPolarHBondContact O-CB 3.44Å; V431-T435 PolarHBondContact O-N 3.15Å; V431-T435 PolarHBondContact O-OG1 3.46Å; L433-T435 PolarHBondContact O-N 3.04Å; T435-Y439 HydrophobicContact CG2-CD2 3.93Å; T435-Y439 HydrophobicContact CG2-CE2 3.57Å; T435-Y439 WeakPolarHBondContact O-CD2 3.48Å; T435-Y439 PolarHBondContact O-N 2.69Å; T435-Y439 VanDerWaalsContact O-N 3.17Å |
| 436 | F | 91.4 | Very high | 88 | Confident | 109 Ų | 109 | 66 Ų | 66 | 48% | 0.478 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.8 | 169.9 | -98.2 | 0 | 0 | 0 | 112.2 | W432 L433 Y439 A440 | W432-F436 VanDerWaalsContact O-CB 3.31Å; W432-F436 WeakPolarHBondContact O-CB 3.44Å; W432-F436 PolarHBondContact O-N 3.45Å; L433-F436 HydrophobicContact CD1-CD1 4.37Å; L433-F436 WeakPolarHBondContact O-CB 3.39Å; L433-F436 PolarHBondContact O-N 3.1Å; L433-F436 VanDerWaalsContact O-N 3.08Å; F436-Y439 PolarHBondContact O-N 2.72Å; F436-A440 WeakPolarHBondContact O-CB 3.31Å; F436-A440 PolarHBondContact O-N 2.77Å |
| 437 | L | 86.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 179.1 | -68.9 | 173 | 0 | 0 | 0 | 110.9 | C421 E425 L433 Y439 A440 E441 | C421-L437 HydrophobicContact CB-CD2 3.74Å; C421-L437 VanDerWaalsContact O-CD2 3.27Å; C421-L437 WeakPolarHBondContact O-CD2 3.42Å; E425-L437 HydrophobicContact CG-CD1 3.55Å; L433-L437 HydrophobicContact CD1-CD1 4.02Å; L433-L437 HydrophobicContact CD1-CD2 4.47Å; L433-L437 HydrophobicContact CD1-CG 3.97Å; L433-L437 HydrophobicContact CG-CD1 4.05Å; L433-L437 HydrophobicContact CG-CG 4.43Å; L433-L437 WeakPolarHBondContact O-CG 3Å; L433-L437 PolarHBondContact O-N 2.89Å; L437-Y439 PolarHBondContact O-N 3.3Å; L437-A440 WeakPolarHBondContact O-CB 3.43Å; L437-A440 PolarHBondContact O-N 2.71Å; L437-E441 WeakPolarHBondContact O-CG 3.34Å; L437-E441 PolarHBondContact O-N 3.34Å |
| 438 | Y | 83.2 | Confident | 88.1 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 51% | 0.506 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52 | -50.1 | 173.9 | 178.7 | -99.3 | 0 | 0 | 0 | 112.3 | S434 A440 E441 F442 | S434-Y438 WeakPolarHBondContact O-CB 3.26Å; S434-Y438 PolarHBondContact O-N 2.95Å; Y438-A440 PolarHBondContact O-N 2.76Å; Y438-E441 WeakPolarHBondContact O-CB 3.49Å; Y438-E441 PolarHBondContact O-N 3.43Å; Y438-F442 HydrophobicContact CD1-CE2 4.38Å; Y438-F442 HydrophobicContact CD2-CE2 4.36Å; Y438-F442 AromaticContact CE1-CE2 3.89Å; Y438-F442 HydrophobicContact CE1-CE2 3.89Å; Y438-F442 AromaticContact CE2-CE2 3.88Å; Y438-F442 HydrophobicContact CE2-CE2 3.88Å; Y438-F442 AromaticContact CZ-CE2 3.62Å; Y438-F442 VanDerWaalsContact O-CD2 3.31Å; Y438-F442 WeakPolarHBondContact O-CD2 3.16Å |
| 439 | Y | 88.4 | Confident | 88.3 | Confident | 147 Ų | 147 | 62.5 Ų | 62.5 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.5 | -34.2 | 176.8 | -70.8 | -53.6 | 0 | 0 | 0 | 113.4 | T435 F436 L437 E441 F442 V443 | T435-Y439 HydrophobicContact CG2-CD2 3.93Å; T435-Y439 HydrophobicContact CG2-CE2 3.57Å; T435-Y439 WeakPolarHBondContact O-CD2 3.48Å; T435-Y439 PolarHBondContact O-N 2.69Å; T435-Y439 VanDerWaalsContact O-N 3.17Å; F436-Y439 PolarHBondContact O-N 2.72Å; L437-Y439 PolarHBondContact O-N 3.3Å; Y439-E441 VanDerWaalsContact C-N 3.3Å; Y439-E441 PolarHBondContact O-N 2.71Å; Y439-F442 PolarHBondContact O-N 3.13Å; Y439-V443 WeakPolarHBondContact O-CG2 3.28Å; Y439-V443 PolarHBondContact O-N 3.45Å |
| 440 | A | 86.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 65 Ų | 65 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F436 L437 Y438 F442 V443 F444 | F436-A440 WeakPolarHBondContact O-CB 3.31Å; F436-A440 PolarHBondContact O-N 2.77Å; L437-A440 WeakPolarHBondContact O-CB 3.43Å; L437-A440 PolarHBondContact O-N 2.71Å; Y438-A440 PolarHBondContact O-N 2.76Å; A440-F442 PolarHBondContact O-N 3.5Å; A440-V443 PolarHBondContact O-N 3.33Å; A440-F444 HydrophobicContact CB-CD2 4.25Å; A440-F444 HydrophobicContact CB-CE2 4.09Å; A440-F444 WeakPolarHBondContact O-CD2 3.33Å; A440-F444 PolarHBondContact O-N 2.84Å |
| 441 | E | 79.8 | Confident | 88.1 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.5 | -50.9 | 176 | -68.6 | 168.5 | -169.6 | 0 | 0 | 112.6 | L437 Y438 Y439 F444 L445 R504 | L437-E441 WeakPolarHBondContact O-CG 3.34Å; L437-E441 PolarHBondContact O-N 3.34Å; Y438-E441 WeakPolarHBondContact O-CB 3.49Å; Y438-E441 PolarHBondContact O-N 3.43Å; Y439-E441 VanDerWaalsContact C-N 3.3Å; Y439-E441 PolarHBondContact O-N 2.71Å; E441-F444 PolarHBondContact O-N 3.05Å; E441-L445 WeakPolarHBondContact O-CB 3.42Å; E441-L445 PolarHBondContact O-N 3.09Å; E441-R504 VanDerWaalsContact CD-CZ 3.49Å; E441-R504 IonicContact OE1-CZ 3.77Å; E441-R504 IonicContact OE1-NH1 3.11Å; E441-R504 PolarHBondContact OE1-NH1 2.63Å; E441-R504 IonicContact OE1-NH2 2.67Å; E441-R504 IonicContact OE2-CZ 2.82Å; E441-R504 VanDerWaalsContact OE2-CZ 3.27Å; E441-R504 IonicContact OE2-NH1 3.66Å; E441-R504 PolarHBondContact OE2-NH1 2.65Å; E441-R504 VanDerWaalsContact OE2-NH1 3.15Å; E441-R504 IonicContact OE2-NH2 3.42Å; E441-R504 PolarHBondContact OE2-NH2 2.96Å |
| 442 | F | 85.6 | Confident | 87.9 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178 | -71.3 | -83.1 | 0 | 0 | 0 | 111.9 | Y438 Y439 A440 L445 G446 I484 | Y438-F442 HydrophobicContact CD1-CE2 4.38Å; Y438-F442 HydrophobicContact CD2-CE2 4.36Å; Y438-F442 AromaticContact CE1-CE2 3.89Å; Y438-F442 HydrophobicContact CE1-CE2 3.89Å; Y438-F442 AromaticContact CE2-CE2 3.88Å; Y438-F442 HydrophobicContact CE2-CE2 3.88Å; Y438-F442 AromaticContact CZ-CE2 3.62Å; Y438-F442 VanDerWaalsContact O-CD2 3.31Å; Y438-F442 WeakPolarHBondContact O-CD2 3.16Å; Y439-F442 PolarHBondContact O-N 3.13Å; A440-F442 PolarHBondContact O-N 3.5Å; F442-L445 PolarHBondContact O-N 3.16Å; F442-G446 PolarHBondContact O-N 3.49Å; F442-I484 HydrophobicContact CD1-CD1 4.2Å; F442-I484 HydrophobicContact CE1-CD1 3.86Å; F442-I484 HydrophobicContact CE1-CG1 4.41Å; F442-I484 HydrophobicContact CE1-CG2 4.06Å; F442-I484 HydrophobicContact CZ-CD1 4.49Å |
| 443 | V | 88.8 | Confident | 87.7 | Confident | 90 Ų | 90 | 55 Ų | 55 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y439 A440 G446 L447 | Y439-V443 WeakPolarHBondContact O-CG2 3.28Å; Y439-V443 PolarHBondContact O-N 3.45Å; A440-V443 PolarHBondContact O-N 3.33Å; V443-G446 PolarHBondContact O-N 2.99Å; V443-L447 HydrophobicContact CG1-CD1 4.13Å; V443-L447 VanDerWaalsContact O-CG 3.31Å; V443-L447 WeakPolarHBondContact O-CG 3.44Å; V443-L447 PolarHBondContact O-N 3.37Å; V443-L447 VanDerWaalsContact O-N 3.1Å |
| 444 | F | 88.5 | Confident | 87.6 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.4 | -73.8 | -61.4 | 0 | 0 | 0 | 112.2 | L414 L417 N418 A440 E441 G446 L447 F448 | L414-F444 HydrophobicContact CD2-CE1 4.47Å; L417-F444 HydrophobicContact CB-CE1 3.89Å; L417-F444 HydrophobicContact CB-CZ 3.71Å; N418-F444 HydrophobicContact CB-CB 4.41Å; N418-F444 HydrophobicContact CB-CD1 3.89Å; N418-F444 HydrophobicContact CB-CD2 3.95Å; N418-F444 HydrophobicContact CB-CE1 4.1Å; N418-F444 HydrophobicContact CB-CE2 4.16Å; N418-F444 HydrophobicContact CB-CG 3.82Å; N418-F444 HydrophobicContact CB-CZ 4.25Å; N418-F444 WeakPolarHBondContact ND2-CD2 3.16Å; A440-F444 HydrophobicContact CB-CD2 4.25Å; A440-F444 HydrophobicContact CB-CE2 4.09Å; A440-F444 WeakPolarHBondContact O-CD2 3.33Å; A440-F444 PolarHBondContact O-N 2.84Å; E441-F444 PolarHBondContact O-N 3.05Å; F444-G446 PolarHBondContact O-N 2.82Å; F444-L447 PolarHBondContact O-N 2.84Å; F444-F448 HydrophobicContact CB-CD2 4.43Å; F444-F448 HydrophobicContact CB-CE2 4.07Å; F444-F448 WeakPolarHBondContact O-CD2 3.3Å; F444-F448 WeakPolarHBondContact O-CG 3.04Å; F444-F448 PolarHBondContact O-N 3.15Å |
| 445 | L | 85.6 | Confident | 87.7 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.3 | -179.1 | 59 | 0 | 0 | 0 | 111.8 | E441 F442 L447 F448 I449 I477 L481 I484 | E441-L445 WeakPolarHBondContact O-CB 3.42Å; E441-L445 PolarHBondContact O-N 3.09Å; F442-L445 PolarHBondContact O-N 3.16Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 2.76Å; L445-F448 PolarHBondContact O-N 2.72Å; L445-I449 HydrophobicContact CD1-CD1 4.11Å; L445-I449 HydrophobicContact CD1-CG1 4.26Å; L445-I449 HydrophobicContact CG-CD1 3.87Å; L445-I449 HydrophobicContact CG-CG1 4.47Å; L445-I449 VanDerWaalsContact O-CG1 3.32Å; L445-I449 WeakPolarHBondContact O-CG1 3.39Å; L445-I449 PolarHBondContact O-N 2.65Å; L445-I477 HydrophobicContact CD1-CG2 4.28Å; L445-L481 HydrophobicContact CD2-CD2 4.22Å; L445-L481 HydrophobicContact CD2-CG 4.4Å; L445-I484 HydrophobicContact CD2-CD1 3.36Å |
| 446 | G | 88.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F442 V443 F444 I449 I450 | F442-G446 PolarHBondContact O-N 3.49Å; V443-G446 PolarHBondContact O-N 2.99Å; F444-G446 PolarHBondContact O-N 2.82Å; G446-I449 PolarHBondContact O-N 3.31Å; G446-I450 WeakPolarHBondContact O-CG1 3.28Å; G446-I450 PolarHBondContact O-N 3.29Å |
| 447 | L | 90.4 | Very high | 87.5 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.2 | -68.5 | 170.2 | 0 | 0 | 0 | 112.6 | L414 V443 F444 L445 I450 E451 | L414-L447 HydrophobicContact CD1-CB 4.3Å; L414-L447 HydrophobicContact CD1-CD1 4.47Å; L414-L447 HydrophobicContact CD2-CD1 3.77Å; V443-L447 HydrophobicContact CG1-CD1 4.13Å; V443-L447 VanDerWaalsContact O-CG 3.31Å; V443-L447 WeakPolarHBondContact O-CG 3.44Å; V443-L447 PolarHBondContact O-N 3.37Å; V443-L447 VanDerWaalsContact O-N 3.1Å; F444-L447 PolarHBondContact O-N 2.84Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 2.76Å; L447-I450 PolarHBondContact O-N 3.41Å; L447-E451 PolarHBondContact O-N 3.13Å |
| 448 | F | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 176 | -66.3 | -49.3 | 0 | 0 | 0 | 113 | L414 V415 N418 F444 L445 I450 E451 M452 I477 | L414-F448 HydrophobicContact CB-CE1 4.14Å; L414-F448 HydrophobicContact CB-CZ 4.3Å; V415-F448 HydrophobicContact CG2-CE1 4.07Å; V415-F448 HydrophobicContact CG2-CZ 4.11Å; N418-F448 HydrophobicContact CB-CE2 4.46Å; F444-F448 HydrophobicContact CB-CD2 4.43Å; F444-F448 HydrophobicContact CB-CE2 4.07Å; F444-F448 WeakPolarHBondContact O-CD2 3.3Å; F444-F448 WeakPolarHBondContact O-CG 3.04Å; F444-F448 PolarHBondContact O-N 3.15Å; L445-F448 PolarHBondContact O-N 2.72Å; F448-I450 VanDerWaalsContact C-N 3.34Å; F448-E451 WeakPolarHBondContact CD1-OE2 2.95Å; F448-E451 WeakPolarHBondContact O-CB 3.39Å; F448-E451 PolarHBondContact O-N 3.09Å; F448-M452 PolarHBondContact O-N 3.45Å; F448-I477 HydrophobicContact CB-CD1 4.03Å; F448-I477 HydrophobicContact CB-CG1 4.14Å; F448-I477 WeakPolarHBondContact O-CD1 3.13Å |
| 449 | I | 89.6 | Confident | 86.9 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 171.1 | -69.8 | 164.8 | 0 | 0 | 0 | 110.5 | L445 G446 M452 L453 I477 L481 | L445-I449 HydrophobicContact CD1-CD1 4.11Å; L445-I449 HydrophobicContact CD1-CG1 4.26Å; L445-I449 HydrophobicContact CG-CD1 3.87Å; L445-I449 HydrophobicContact CG-CG1 4.47Å; L445-I449 VanDerWaalsContact O-CG1 3.32Å; L445-I449 WeakPolarHBondContact O-CG1 3.39Å; L445-I449 PolarHBondContact O-N 2.65Å; G446-I449 PolarHBondContact O-N 3.31Å; I449-M452 PolarHBondContact O-N 3.35Å; I449-L453 HydrophobicContact CG2-CD1 3.89Å; I449-L453 HydrophobicContact CG2-CG 4.41Å; I449-L453 WeakPolarHBondContact O-CB 3.49Å; I449-L453 VanDerWaalsContact O-CG 3.28Å; I449-L453 WeakPolarHBondContact O-CG 3.3Å; I449-L453 PolarHBondContact O-N 3.21Å; I449-I477 HydrophobicContact CG1-CG2 3.72Å; I449-L481 HydrophobicContact CD1-CD1 4.17Å; I449-L481 HydrophobicContact CD1-CD2 3.95Å; I449-L481 HydrophobicContact CD1-CG 4.27Å |
| 450 | I | 89.5 | Confident | 86.5 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.5 | -66.9 | 164 | 0 | 0 | 0 | 110.9 | G446 L447 F448 M452 L453 L454 | G446-I450 WeakPolarHBondContact O-CG1 3.28Å; G446-I450 PolarHBondContact O-N 3.29Å; L447-I450 PolarHBondContact O-N 3.41Å; F448-I450 VanDerWaalsContact C-N 3.34Å; I450-M452 VanDerWaalsContact C-N 3.35Å; I450-M452 PolarHBondContact O-N 3.48Å; I450-L453 PolarHBondContact O-N 3.5Å; I450-L454 HydrophobicContact CG2-CD1 3.85Å; I450-L454 HydrophobicContact CG2-CG 4.38Å; I450-L454 WeakPolarHBondContact O-CB 3.18Å; I450-L454 VanDerWaalsContact O-CG 3.28Å; I450-L454 WeakPolarHBondContact O-CG 3.49Å; I450-L454 PolarHBondContact O-N 3.11Å |
| 451 | E | 88.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 174.2 | -163.6 | -156.8 | 158.8 | 0 | 0 | 111.3 | F407 V411 L447 F448 K455 K510 | F407-E451 HydrophobicContact CE1-CG 4.23Å; F407-E451 HydrophobicContact CZ-CG 3.71Å; V411-E451 WeakPolarHBondContact CG1-OE1 3.3Å; V411-E451 VanDerWaalsContact CG2-CD 3.42Å; V411-E451 HydrophobicContact CG2-CG 3.74Å; V411-E451 WeakPolarHBondContact CG2-OE1 3.46Å; L447-E451 PolarHBondContact O-N 3.13Å; F448-E451 WeakPolarHBondContact CD1-OE2 2.95Å; F448-E451 WeakPolarHBondContact O-CB 3.39Å; F448-E451 PolarHBondContact O-N 3.09Å; E451-K455 WeakPolarHBondContact O-CG 3.23Å; E451-K455 PolarHBondContact O-N 2.95Å; E451-K455 VanDerWaalsContact O-N 3.15Å; E451-K455 WeakPolarHBondContact OE1-CE 3.44Å; E451-K455 IonicContact OE1-NZ 3.04Å; E451-K455 PolarHBondContact OE1-NZ 3.48Å; E451-K510 IonicContact OE1-NZ 2.64Å; E451-K510 IonicContact OE2-NZ 2.95Å; E451-K510 PolarHBondContact OE2-NZ 2.92Å |
| 452 | M | 87.5 | Confident | 86.5 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 178.6 | -177.3 | -169.7 | 70.6 | 0 | 0 | 112.1 | F448 I449 I450 L454 K455 V456 I477 | F448-M452 PolarHBondContact O-N 3.45Å; I449-M452 PolarHBondContact O-N 3.35Å; I450-M452 VanDerWaalsContact C-N 3.35Å; I450-M452 PolarHBondContact O-N 3.48Å; M452-L454 VanDerWaalsContact C-N 3.33Å; M452-L454 PolarHBondContact O-N 3.08Å; M452-K455 WeakPolarHBondContact O-CB 3.36Å; M452-K455 PolarHBondContact O-N 2.77Å; M452-V456 HydrophobicContact CG-CG2 4.45Å; M452-V456 WeakPolarHBondContact O-CG2 3.5Å; M452-V456 PolarHBondContact O-N 3.41Å; M452-I477 HydrophobicContact CB-CD1 3.88Å; M452-I477 HydrophobicContact CG-CD1 4.46Å; M452-I477 HydrophobicContact SD-CD1 4.28Å; M452-I477 HydrophobicContact SD-CG2 4.47Å |
| 453 | L | 89.2 | Confident | 86.1 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | -178.3 | -71.2 | 170.7 | 0 | 0 | 0 | 112.1 | I449 I450 V456 Y457 | I449-L453 HydrophobicContact CG2-CD1 3.89Å; I449-L453 HydrophobicContact CG2-CG 4.41Å; I449-L453 WeakPolarHBondContact O-CB 3.49Å; I449-L453 VanDerWaalsContact O-CG 3.28Å; I449-L453 WeakPolarHBondContact O-CG 3.3Å; I449-L453 PolarHBondContact O-N 3.21Å; I450-L453 PolarHBondContact O-N 3.5Å; L453-V456 PolarHBondContact O-N 2.96Å; L453-Y457 WeakPolarHBondContact O-CB 3.47Å; L453-Y457 PolarHBondContact O-N 2.91Å |
| 454 | L | 88.7 | Confident | 85.9 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.7 | -72.3 | 170.3 | 0 | 0 | 0 | 112.2 | I398 M401 V402 F407 I450 M452 G458 | I398-L454 HydrophobicContact CG2-CD2 4.36Å; M401-L454 HydrophobicContact CE-CD1 3.89Å; M401-L454 HydrophobicContact CE-CD2 3.97Å; M401-L454 HydrophobicContact CE-CG 4.42Å; V402-L454 HydrophobicContact CG2-CB 4.37Å; F407-L454 HydrophobicContact CE2-CD1 4.16Å; I450-L454 HydrophobicContact CG2-CD1 3.85Å; I450-L454 HydrophobicContact CG2-CG 4.38Å; I450-L454 WeakPolarHBondContact O-CB 3.18Å; I450-L454 VanDerWaalsContact O-CG 3.28Å; I450-L454 WeakPolarHBondContact O-CG 3.49Å; I450-L454 PolarHBondContact O-N 3.11Å; M452-L454 VanDerWaalsContact C-N 3.33Å; M452-L454 PolarHBondContact O-N 3.08Å; L454-G458 PolarHBondContact O-N 3.05Å |
| 455 | K | 87.8 | Confident | 85.8 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 174.4 | -71 | 170.8 | -175.3 | 173.6 | 0 | 111.3 | V402 F407 E451 M452 Y457 G458 L459 Y464 D473 | V402-K455 HydrophobicContact CG1-CG 4.09Å; F407-K455 HydrophobicContact CE1-CG 4.41Å; F407-K455 HydrophobicContact CZ-CG 4.5Å; E451-K455 WeakPolarHBondContact O-CG 3.23Å; E451-K455 PolarHBondContact O-N 2.95Å; E451-K455 VanDerWaalsContact O-N 3.15Å; E451-K455 WeakPolarHBondContact OE1-CE 3.44Å; E451-K455 IonicContact OE1-NZ 3.04Å; E451-K455 PolarHBondContact OE1-NZ 3.48Å; M452-K455 WeakPolarHBondContact O-CB 3.36Å; M452-K455 PolarHBondContact O-N 2.77Å; K455-Y457 PolarHBondContact O-N 2.78Å; K455-G458 PolarHBondContact O-N 3.44Å; K455-L459 HydrophobicContact CB-CD1 4.46Å; K455-L459 VanDerWaalsContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CB 3.38Å; K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.37Å; K455-Y464 HydrophobicContact CB-CD2 3.75Å; K455-Y464 HydrophobicContact CB-CE2 3.62Å; K455-Y464 HydrophobicContact CD-CE2 3.9Å; K455-Y464 HydrophobicContact CG-CE2 4.43Å; K455-D473 IonicContact NZ-OD2 2.83Å; K455-D473 PolarHBondContact NZ-OD2 3.34Å |
| 456 | V | 88.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | -178.4 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | M452 L453 N460 I461 Y464 | M452-V456 HydrophobicContact CG-CG2 4.45Å; M452-V456 WeakPolarHBondContact O-CG2 3.5Å; M452-V456 PolarHBondContact O-N 3.41Å; L453-V456 PolarHBondContact O-N 2.96Å; V456-N460 PolarHBondContact O-N 3.13Å; V456-I461 HydrophobicContact CG1-CD1 3.61Å; V456-I461 HydrophobicContact CG2-CD1 4.45Å; V456-Y464 HydrophobicContact CG2-CD1 3.93Å; V456-Y464 HydrophobicContact CG2-CD2 3.69Å; V456-Y464 HydrophobicContact CG2-CE1 4.17Å; V456-Y464 HydrophobicContact CG2-CE2 3.92Å; V456-Y464 HydrophobicContact CG2-CG 3.7Å |
| 457 | Y | 87.3 | Confident | 84.8 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | -179.9 | -171.9 | -87.9 | 0 | 0 | 0 | 112.8 | I394 R395 I398 L453 K455 | I394-Y457 HydrophobicContact CG2-CE1 4.34Å; R395-Y457 HydrophobicContact CB-CE1 4.28Å; R395-Y457 HydrophobicContact CG-CE1 4.21Å; I398-Y457 HydrophobicContact CB-CD1 4.49Å; I398-Y457 HydrophobicContact CD1-CD1 3.66Å; I398-Y457 HydrophobicContact CD1-CE1 3.77Å; I398-Y457 HydrophobicContact CG2-CD1 4.4Å; L453-Y457 WeakPolarHBondContact O-CB 3.47Å; L453-Y457 PolarHBondContact O-N 2.91Å; K455-Y457 PolarHBondContact O-N 2.78Å |
| 458 | G | 82.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -37.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R399 L454 K455 | R399-G458 PolarHBondContact NE-O 3.06Å; L454-G458 PolarHBondContact O-N 3.05Å; K455-G458 PolarHBondContact O-N 3.44Å |
| 459 | L | 76.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -86.8 | -25.3 | -175 | -64.4 | 174.6 | 0 | 0 | 0 | 113.5 | R399 K455 | R399-L459 PolarHBondContact NH2-O 3.22Å; R399-L459 VanDerWaalsContact NH2-O 3.08Å; K455-L459 HydrophobicContact CB-CD1 4.46Å; K455-L459 VanDerWaalsContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CB 3.38Å; K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.37Å |
| 460 | N | 78.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | 80.3 | 139.7 | -161.4 | -166.7 | 14.8 | 0 | 0 | 0 | 112.2 | V456 R462 I463 Y464 | V456-N460 PolarHBondContact O-N 3.13Å; N460-R462 VanDerWaalsContact C-N 3.28Å; N460-R462 PolarHBondContact O-N 2.87Å; N460-R462 VanDerWaalsContact O-N 3.15Å; N460-I463 PolarHBondContact O-N 3.12Å; N460-I463 VanDerWaalsContact O-N 3.11Å; N460-Y464 PolarHBondContact O-N 3.38Å | ||
| 461 | I | 83.9 | Confident | 82.6 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 41% | 0.41 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.9 | -35.6 | -167.7 | -165.6 | 69 | 0 | 0 | 0 | 113.6 | V456 Y464 F465 | V456-I461 HydrophobicContact CG1-CD1 3.61Å; V456-I461 HydrophobicContact CG2-CD1 4.45Å; I461-Y464 WeakPolarHBondContact O-CB 3.28Å; I461-Y464 PolarHBondContact O-N 3.39Å; I461-F465 HydrophobicContact CD1-CD2 4.11Å; I461-F465 HydrophobicContact CD1-CE2 3.68Å; I461-F465 HydrophobicContact CG1-CD2 4.07Å; I461-F465 HydrophobicContact CG1-CE2 4.02Å; I461-F465 WeakPolarHBondContact O-CD2 3.48Å; I461-F465 PolarHBondContact O-N 3.06Å |
| 462 | R | 82 | Confident | 82.2 | Confident | 207 Ų | 207 | 62 Ų | 62 | 78% | 0.781 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67 | -47.7 | 178.3 | -66.2 | -173.1 | 176.6 | -163.6 | -3 | 112.1 | N460 Y464 F465 E466 | N460-R462 VanDerWaalsContact C-N 3.28Å; N460-R462 PolarHBondContact O-N 2.87Å; N460-R462 VanDerWaalsContact O-N 3.15Å; R462-Y464 VanDerWaalsContact C-N 3.25Å; R462-Y464 PolarHBondContact O-N 2.98Å; R462-F465 PolarHBondContact O-N 3.44Å; R462-E466 PolarHBondContact O-N 3.25Å |
| 463 | I | 78.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.6 | -25.8 | 179.9 | -53.7 | -178.9 | 0 | 0 | 0 | 110.7 | N460 | N460-I463 PolarHBondContact O-N 3.12Å; N460-I463 VanDerWaalsContact O-N 3.11Å |
| 464 | Y | 84 | Confident | 81.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -56 | 169.2 | -176.2 | -91.6 | 0 | 0 | 0 | 111.3 | K455 V456 N460 I461 R462 E466 S467 N470 C474 | K455-Y464 HydrophobicContact CB-CD2 3.75Å; K455-Y464 HydrophobicContact CB-CE2 3.62Å; K455-Y464 HydrophobicContact CD-CE2 3.9Å; K455-Y464 HydrophobicContact CG-CE2 4.43Å; V456-Y464 HydrophobicContact CG2-CD1 3.93Å; V456-Y464 HydrophobicContact CG2-CD2 3.69Å; V456-Y464 HydrophobicContact CG2-CE1 4.17Å; V456-Y464 HydrophobicContact CG2-CE2 3.92Å; V456-Y464 HydrophobicContact CG2-CG 3.7Å; N460-Y464 PolarHBondContact O-N 3.38Å; I461-Y464 WeakPolarHBondContact O-CB 3.28Å; I461-Y464 PolarHBondContact O-N 3.39Å; R462-Y464 VanDerWaalsContact C-N 3.25Å; R462-Y464 PolarHBondContact O-N 2.98Å; Y464-E466 VanDerWaalsContact C-N 3.34Å; Y464-E466 PolarHBondContact O-N 2.98Å; Y464-S467 PolarHBondContact O-N 3.34Å; Y464-N470 HydrophobicContact CD1-CB 4.33Å; Y464-N470 HydrophobicContact CD2-CB 4.19Å; Y464-N470 HydrophobicContact CE1-CB 4Å; Y464-N470 HydrophobicContact CE2-CB 3.87Å; Y464-N470 HydrophobicContact CG-CB 4.4Å; Y464-N470 WeakPolarHBondContact O-CB 3.46Å; Y464-N470 PolarHBondContact O-ND2 3.16Å; Y464-N470 PolarHBondContact OH-O 3.2Å; Y464-C474 HydrophobicContact CE1-CB 4.31Å |
| 465 | F | 86.9 | Confident | 81.3 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.5 | -12.3 | -176.2 | -77.2 | -63.8 | 0 | 0 | 0 | 115.1 | I461 R462 S467 I471 | I461-F465 HydrophobicContact CD1-CD2 4.11Å; I461-F465 HydrophobicContact CD1-CE2 3.68Å; I461-F465 HydrophobicContact CG1-CD2 4.07Å; I461-F465 HydrophobicContact CG1-CE2 4.02Å; I461-F465 WeakPolarHBondContact O-CD2 3.48Å; I461-F465 PolarHBondContact O-N 3.06Å; R462-F465 PolarHBondContact O-N 3.44Å; F465-S467 PolarHBondContact O-N 2.87Å; F465-I471 HydrophobicContact CD1-CG1 4.2Å; F465-I471 VanDerWaalsContact O-CD1 3.27Å; F465-I471 WeakPolarHBondContact O-CD1 3.38Å |
| 466 | E | 79.4 | Confident | 80.9 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.5 | 172.9 | -171.4 | 169.9 | -172.2 | 0 | 0 | 113 | M308 R462 Y464 | M308-E466 WeakPolarHBondContact CE-OE1 3.46Å; R462-E466 PolarHBondContact O-N 3.25Å; Y464-E466 VanDerWaalsContact C-N 3.34Å; Y464-E466 PolarHBondContact O-N 2.98Å |
| 467 | S | 72.6 | Confident | 80.7 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -96.1 | 117.5 | -179.6 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | Y464 F465 F469 N470 I471 | Y464-S467 PolarHBondContact O-N 3.34Å; F465-S467 PolarHBondContact O-N 2.87Å; S467-F469 PolarHBondContact O-N 2.82Å; S467-F469 VanDerWaalsContact O-N 3.15Å; S467-N470 WeakPolarHBondContact O-CA 3.44Å; S467-N470 WeakPolarHBondContact O-CB 3.48Å; S467-N470 PolarHBondContact O-N 2.92Å; S467-I471 PolarHBondContact O-N 3.41Å |
| 468 | S | 73.3 | Confident | 80.6 | Confident | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -52.5 | -37.8 | 178.5 | -41 | 0 | 0 | 0 | 0 | 113.7 | N470 I471 F472 | S468-N470 VanDerWaalsContact C-N 3.33Å; S468-N470 PolarHBondContact O-N 3.21Å; S468-I471 PolarHBondContact O-N 3.39Å; S468-F472 PolarHBondContact O-N 2.92Å |
| 469 | F | 74.1 | Confident | 80.4 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.7 | -27.1 | 176.6 | -70.2 | -74.6 | 0 | 0 | 0 | 113.7 | S467 D473 R513 R519 | S467-F469 PolarHBondContact O-N 2.82Å; S467-F469 VanDerWaalsContact O-N 3.15Å; F469-D473 WeakPolarHBondContact O-CB 3.28Å; F469-D473 PolarHBondContact O-N 3.42Å; F469-D473 VanDerWaalsContact O-N 3.15Å; F469-R513 HydrophobicContact CB-CG 4.37Å; F469-R513 HydrophobicContact CD1-CB 3.87Å; F469-R513 HydrophobicContact CD1-CG 4.16Å; F469-R513 HydrophobicContact CD2-CG 4.12Å; F469-R513 HydrophobicContact CE1-CB 3.98Å; F469-R513 HydrophobicContact CE2-CG 4.46Å; F469-R513 HydrophobicContact CG-CB 4.2Å; F469-R513 HydrophobicContact CG-CG 3.96Å; F469-R513 HydrophobicContact CZ-CB 4.4Å; F469-R519 HydrophobicContact CZ-CG 4.25Å |
| 470 | N | 80.7 | Confident | 80.5 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -81.2 | -31.4 | 173.7 | -65.3 | -8.7 | 0 | 0 | 0 | 111.4 | Y464 S467 S468 C474 R513 | Y464-N470 HydrophobicContact CD1-CB 4.33Å; Y464-N470 HydrophobicContact CD2-CB 4.19Å; Y464-N470 HydrophobicContact CE1-CB 4Å; Y464-N470 HydrophobicContact CE2-CB 3.87Å; Y464-N470 HydrophobicContact CG-CB 4.4Å; Y464-N470 WeakPolarHBondContact O-CB 3.46Å; Y464-N470 PolarHBondContact O-ND2 3.16Å; Y464-N470 PolarHBondContact OH-O 3.2Å; S467-N470 WeakPolarHBondContact O-CA 3.44Å; S467-N470 WeakPolarHBondContact O-CB 3.48Å; S467-N470 PolarHBondContact O-N 2.92Å; S468-N470 VanDerWaalsContact C-N 3.33Å; S468-N470 PolarHBondContact O-N 3.21Å; N470-C474 WeakPolarHBondContact O-CB 3.26Å; N470-C474 PolarHBondContact O-N 2.81Å; N470-R513 PolarHBondContact OD1-NH1 3.15Å |
| 471 | I | 85.1 | Confident | 80.7 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 168.2 | -65.9 | 165.1 | 0 | 0 | 0 | 109.3 | F465 S467 S468 D473 C474 V475 | F465-I471 HydrophobicContact CD1-CG1 4.2Å; F465-I471 VanDerWaalsContact O-CD1 3.27Å; F465-I471 WeakPolarHBondContact O-CD1 3.38Å; S467-I471 PolarHBondContact O-N 3.41Å; S468-I471 PolarHBondContact O-N 3.39Å; I471-D473 PolarHBondContact O-N 3.19Å; I471-C474 WeakPolarHBondContact O-CA 3.46Å; I471-C474 VanDerWaalsContact O-CB 3.28Å; I471-C474 WeakPolarHBondContact O-CB 3.48Å; I471-C474 PolarHBondContact O-N 3.48Å; I471-C474 VanDerWaalsContact O-N 3.12Å; I471-V475 HydrophobicContact CG2-CG2 4.31Å; I471-V475 WeakPolarHBondContact O-CG2 3.47Å; I471-V475 PolarHBondContact O-N 3.28Å |
| 472 | F | 79.7 | Confident | 80.6 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 177.9 | 178.3 | -99.4 | 0 | 0 | 0 | 112.5 | S468 C474 V475 V476 L506 F509 | S468-F472 PolarHBondContact O-N 2.92Å; F472-C474 VanDerWaalsContact C-N 3.31Å; F472-C474 PolarHBondContact O-N 3.22Å; F472-V475 PolarHBondContact O-N 2.88Å; F472-V476 HydrophobicContact CD1-CG2 4.36Å; F472-V476 HydrophobicContact CD2-CG2 4.47Å; F472-V476 HydrophobicContact CE1-CG2 4.02Å; F472-V476 HydrophobicContact CE2-CG2 4.14Å; F472-V476 HydrophobicContact CZ-CG2 3.91Å; F472-V476 WeakPolarHBondContact O-CG2 3.49Å; F472-V476 PolarHBondContact O-N 2.84Å; F472-L506 WeakPolarHBondContact CE1-O 3.43Å; F472-L506 HydrophobicContact CZ-CB 3.99Å; F472-L506 WeakPolarHBondContact CZ-O 3.06Å; F472-F509 HydrophobicContact CE1-CB 3.96Å; F472-F509 HydrophobicContact CZ-CB 3.82Å; F472-F509 HydrophobicContact CZ-CD2 4.2Å; F472-F509 HydrophobicContact CZ-CG 4.46Å |
| 473 | D | 79 | Confident | 80.3 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 174.4 | -165.2 | 16.4 | 0 | 0 | 0 | 111.9 | K455 F469 I471 V476 I477 K510 | K455-D473 IonicContact NZ-OD2 2.83Å; K455-D473 PolarHBondContact NZ-OD2 3.34Å; F469-D473 WeakPolarHBondContact O-CB 3.28Å; F469-D473 PolarHBondContact O-N 3.42Å; F469-D473 VanDerWaalsContact O-N 3.15Å; I471-D473 PolarHBondContact O-N 3.19Å; D473-V476 PolarHBondContact O-N 3.12Å; D473-I477 WeakPolarHBondContact O-CB 3.15Å; D473-I477 WeakPolarHBondContact O-CD1 3.26Å; D473-I477 VanDerWaalsContact O-CG1 3.26Å; D473-I477 WeakPolarHBondContact O-CG1 3.18Å; D473-I477 PolarHBondContact O-N 2.84Å; D473-K510 VanDerWaalsContact CG-CE 3.43Å; D473-K510 WeakPolarHBondContact OD1-CE 3.22Å; D473-K510 IonicContact OD1-NZ 3.98Å; D473-K510 PolarHBondContact OD1-NZ 3.4Å; D473-K510 IonicContact OD2-NZ 3.84Å |
| 474 | C | 85.2 | Confident | 80.2 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.095 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.1 | -160.7 | 0 | 0 | 0 | 0 | 112.1 | Y464 N470 I471 F472 I477 I478 | Y464-C474 HydrophobicContact CE1-CB 4.31Å; N470-C474 WeakPolarHBondContact O-CB 3.26Å; N470-C474 PolarHBondContact O-N 2.81Å; I471-C474 WeakPolarHBondContact O-CA 3.46Å; I471-C474 VanDerWaalsContact O-CB 3.28Å; I471-C474 WeakPolarHBondContact O-CB 3.48Å; I471-C474 PolarHBondContact O-N 3.48Å; I471-C474 VanDerWaalsContact O-N 3.12Å; F472-C474 VanDerWaalsContact C-N 3.31Å; F472-C474 PolarHBondContact O-N 3.22Å; C474-I477 PolarHBondContact O-N 2.74Å; C474-I478 WeakPolarHBondContact O-CB 3.37Å; C474-I478 VanDerWaalsContact O-CG1 3.22Å; C474-I478 WeakPolarHBondContact O-CG1 3.41Å; C474-I478 PolarHBondContact O-N 2.97Å |
| 475 | V | 82.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 179.5 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | I471 F472 I478 G479 | I471-V475 HydrophobicContact CG2-CG2 4.31Å; I471-V475 WeakPolarHBondContact O-CG2 3.47Å; I471-V475 PolarHBondContact O-N 3.28Å; F472-V475 PolarHBondContact O-N 2.88Å; V475-I478 PolarHBondContact O-N 3.38Å; V475-G479 PolarHBondContact O-N 2.84Å |
| 476 | V | 78.5 | Confident | 79.7 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | F472 D473 S480 L506 R507 | F472-V476 HydrophobicContact CD1-CG2 4.36Å; F472-V476 HydrophobicContact CD2-CG2 4.47Å; F472-V476 HydrophobicContact CE1-CG2 4.02Å; F472-V476 HydrophobicContact CE2-CG2 4.14Å; F472-V476 HydrophobicContact CZ-CG2 3.91Å; F472-V476 WeakPolarHBondContact O-CG2 3.49Å; F472-V476 PolarHBondContact O-N 2.84Å; D473-V476 PolarHBondContact O-N 3.12Å; V476-S480 WeakPolarHBondContact O-CB 3.33Å; V476-S480 PolarHBondContact O-N 2.93Å; V476-S480 PolarHBondContact O-OG 3.37Å; V476-L506 HydrophobicContact CG2-CB 4.07Å; V476-R507 HydrophobicContact CG1-CG 3.62Å |
| 477 | I | 84.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 174.9 | -67.7 | 166.3 | 0 | 0 | 0 | 111 | L445 F448 I449 M452 D473 C474 S480 L481 | L445-I477 HydrophobicContact CD1-CG2 4.28Å; F448-I477 HydrophobicContact CB-CD1 4.03Å; F448-I477 HydrophobicContact CB-CG1 4.14Å; F448-I477 WeakPolarHBondContact O-CD1 3.13Å; I449-I477 HydrophobicContact CG1-CG2 3.72Å; M452-I477 HydrophobicContact CB-CD1 3.88Å; M452-I477 HydrophobicContact CG-CD1 4.46Å; M452-I477 HydrophobicContact SD-CD1 4.28Å; M452-I477 HydrophobicContact SD-CG2 4.47Å; D473-I477 WeakPolarHBondContact O-CB 3.15Å; D473-I477 WeakPolarHBondContact O-CD1 3.26Å; D473-I477 VanDerWaalsContact O-CG1 3.26Å; D473-I477 WeakPolarHBondContact O-CG1 3.18Å; D473-I477 PolarHBondContact O-N 2.84Å; C474-I477 PolarHBondContact O-N 2.74Å; I477-S480 PolarHBondContact O-N 3.27Å; I477-L481 HydrophobicContact CG2-CD1 4.02Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 WeakPolarHBondContact O-CG 3.48Å; I477-L481 PolarHBondContact O-N 3.36Å |
| 478 | I | 84.4 | Confident | 79.8 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.6 | -72.1 | 167.2 | 0 | 0 | 0 | 111.2 | C474 V475 L481 F482 | C474-I478 WeakPolarHBondContact O-CB 3.37Å; C474-I478 VanDerWaalsContact O-CG1 3.22Å; C474-I478 WeakPolarHBondContact O-CG1 3.41Å; C474-I478 PolarHBondContact O-N 2.97Å; V475-I478 PolarHBondContact O-N 3.38Å; I478-L481 PolarHBondContact O-N 3.47Å; I478-F482 WeakPolarHBondContact O-CB 3.45Å; I478-F482 PolarHBondContact O-N 3.01Å |
| 479 | G | 79 | Confident | 80.3 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V475 L481 F482 E483 | V475-G479 PolarHBondContact O-N 2.84Å; G479-L481 VanDerWaalsContact C-N 3.32Å; G479-L481 PolarHBondContact O-N 3.15Å; G479-F482 PolarHBondContact O-N 3.16Å; G479-E483 WeakPolarHBondContact O-CB 3.37Å; G479-E483 PolarHBondContact O-N 3.43Å |
| 480 | S | 78.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 112.6 | V476 I477 I484 R507 | V476-S480 WeakPolarHBondContact O-CB 3.33Å; V476-S480 PolarHBondContact O-N 2.93Å; V476-S480 PolarHBondContact O-OG 3.37Å; I477-S480 PolarHBondContact O-N 3.27Å; S480-I484 PolarHBondContact O-N 2.94Å; S480-R507 PolarHBondContact OG-NH2 3.36Å |
| 481 | L | 81.7 | Confident | 80 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 34% | 0.335 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.5 | -41.3 | 175.2 | -80.3 | 165.3 | 0 | 0 | 0 | 111.9 | L445 I449 I477 I478 G479 E483 I484 I485 | L445-L481 HydrophobicContact CD2-CD2 4.22Å; L445-L481 HydrophobicContact CD2-CG 4.4Å; I449-L481 HydrophobicContact CD1-CD1 4.17Å; I449-L481 HydrophobicContact CD1-CD2 3.95Å; I449-L481 HydrophobicContact CD1-CG 4.27Å; I477-L481 HydrophobicContact CG2-CD1 4.02Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 WeakPolarHBondContact O-CG 3.48Å; I477-L481 PolarHBondContact O-N 3.36Å; I478-L481 PolarHBondContact O-N 3.47Å; G479-L481 VanDerWaalsContact C-N 3.32Å; G479-L481 PolarHBondContact O-N 3.15Å; L481-E483 VanDerWaalsContact C-N 3.33Å; L481-I484 PolarHBondContact O-N 2.84Å; L481-I485 WeakPolarHBondContact O-CB 3.31Å; L481-I485 WeakPolarHBondContact O-CD1 3.35Å; L481-I485 VanDerWaalsContact O-CG1 3.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.35Å; L481-I485 PolarHBondContact O-N 2.88Å |
| 482 | F | 81.8 | Confident | 78.9 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.7 | 179.4 | -96.1 | 0 | 0 | 0 | 111.5 | I478 G479 I484 I485 W486 | I478-F482 WeakPolarHBondContact O-CB 3.45Å; I478-F482 PolarHBondContact O-N 3.01Å; G479-F482 PolarHBondContact O-N 3.16Å; F482-I484 PolarHBondContact O-N 2.6Å; F482-I485 PolarHBondContact O-N 3.39Å; F482-W486 HydrophobicContact CE1-CB 4.35Å; F482-W486 HydrophobicContact CE1-CE3 4.29Å; F482-W486 HydrophobicContact CE2-CE3 4.08Å; F482-W486 HydrophobicContact CZ-CD2 4.19Å; F482-W486 AromaticContact CZ-CE3 3.53Å; F482-W486 HydrophobicContact CZ-CE3 3.53Å; F482-W486 HydrophobicContact CZ-CZ3 4.16Å; F482-W486 VanDerWaalsContact O-CB 3.28Å; F482-W486 WeakPolarHBondContact O-CB 3.31Å; F482-W486 PolarHBondContact O-N 2.98Å |
| 483 | E | 76.3 | Confident | 78 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55 | -50.2 | 175.2 | -164.4 | -155.1 | 136.6 | 0 | 0 | 111.8 | G479 L481 W486 G487 I497 L500 R501 R504 | G479-E483 WeakPolarHBondContact O-CB 3.37Å; G479-E483 PolarHBondContact O-N 3.43Å; L481-E483 VanDerWaalsContact C-N 3.33Å; E483-W486 PolarHBondContact O-N 3.38Å; E483-G487 PolarHBondContact O-N 3.38Å; E483-I497 HydrophobicContact CG-CG2 4.38Å; E483-L500 HydrophobicContact CG-CB 4.11Å; E483-R501 WeakPolarHBondContact OE1-CG 3.43Å; E483-R504 IonicContact OE1-CZ 3Å; E483-R504 VanDerWaalsContact OE1-CZ 3.29Å; E483-R504 IonicContact OE1-NE 3.69Å; E483-R504 PolarHBondContact OE1-NE 3Å; E483-R504 IonicContact OE1-NH2 2.83Å; E483-R504 PolarHBondContact OE1-NH2 3.38Å; E483-R504 IonicContact OE2-CZ 3.36Å; E483-R504 IonicContact OE2-NE 3.56Å; E483-R504 PolarHBondContact OE2-NE 3.22Å; E483-R504 IonicContact OE2-NH2 2.75Å |
| 484 | I | 76.7 | Confident | 76.9 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 179.3 | -66.7 | 169.5 | 0 | 0 | 0 | 111.6 | F442 L445 S480 L481 F482 W486 F488 | F442-I484 HydrophobicContact CD1-CD1 4.2Å; F442-I484 HydrophobicContact CE1-CD1 3.86Å; F442-I484 HydrophobicContact CE1-CG1 4.41Å; F442-I484 HydrophobicContact CE1-CG2 4.06Å; F442-I484 HydrophobicContact CZ-CD1 4.49Å; L445-I484 HydrophobicContact CD2-CD1 3.36Å; S480-I484 PolarHBondContact O-N 2.94Å; L481-I484 PolarHBondContact O-N 2.84Å; F482-I484 PolarHBondContact O-N 2.6Å; I484-W486 VanDerWaalsContact C-N 3.34Å; I484-F488 PolarHBondContact O-N 2.95Å; I484-F488 VanDerWaalsContact O-N 3.13Å |
| 485 | I | 82.7 | Confident | 75.5 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.2 | -68.6 | 164.5 | 0 | 0 | 0 | 110.3 | L481 F482 F488 F489 | L481-I485 WeakPolarHBondContact O-CB 3.31Å; L481-I485 WeakPolarHBondContact O-CD1 3.35Å; L481-I485 VanDerWaalsContact O-CG1 3.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.35Å; L481-I485 PolarHBondContact O-N 2.88Å; F482-I485 PolarHBondContact O-N 3.39Å; I485-F488 PolarHBondContact O-N 2.92Å; I485-F489 HydrophobicContact CG2-CD2 3.99Å; I485-F489 HydrophobicContact CG2-CE2 3.83Å; I485-F489 WeakPolarHBondContact O-CD2 3.43Å; I485-F489 PolarHBondContact O-N 3.13Å |
| 486 | W | 78.1 | Confident | 74.2 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 179.5 | -167.9 | -83.5 | 0 | 0 | 0 | 112.2 | F482 E483 I484 F488 F489 H490 I497 | F482-W486 HydrophobicContact CE1-CB 4.35Å; F482-W486 HydrophobicContact CE1-CE3 4.29Å; F482-W486 HydrophobicContact CE2-CE3 4.08Å; F482-W486 HydrophobicContact CZ-CD2 4.19Å; F482-W486 AromaticContact CZ-CE3 3.53Å; F482-W486 HydrophobicContact CZ-CE3 3.53Å; F482-W486 HydrophobicContact CZ-CZ3 4.16Å; F482-W486 VanDerWaalsContact O-CB 3.28Å; F482-W486 WeakPolarHBondContact O-CB 3.31Å; F482-W486 PolarHBondContact O-N 2.98Å; E483-W486 PolarHBondContact O-N 3.38Å; I484-W486 VanDerWaalsContact C-N 3.34Å; W486-F488 PolarHBondContact O-N 3.25Å; W486-F489 PolarHBondContact O-N 3.43Å; W486-H490 AromaticContact CE2-CD2 3.53Å; W486-H490 AromaticContact CH2-CD2 3.93Å; W486-H490 AromaticContact CZ2-CD2 3.44Å; W486-H490 VanDerWaalsContact CZ2-CD2 3.44Å; W486-H490 WeakPolarHBondContact CZ2-CD2 3.39Å; W486-H490 AromaticContact NE1-CD2 3.86Å; W486-H490 PolarHBondContact O-N 3.43Å; W486-I497 HydrophobicContact CG-CG1 4.39Å |
| 487 | G | 73.5 | Confident | 73.3 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -24.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E483 | E483-G487 PolarHBondContact O-N 3.38Å |
| 488 | F | 80.5 | Confident | 72.2 | Confident | 172 Ų | 172 | 76 Ų | 76 | 75% | 0.754 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -76.8 | -28.3 | 171.9 | -171.1 | -92.7 | 0 | 0 | 0 | 113.5 | I484 I485 W486 | I484-F488 PolarHBondContact O-N 2.95Å; I484-F488 VanDerWaalsContact O-N 3.13Å; I485-F488 PolarHBondContact O-N 2.92Å; W486-F488 PolarHBondContact O-N 3.25Å |
| 489 | F | 83.5 | Confident | 71.2 | Confident | 142 Ų | 142 | 75 Ų | 75 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -91.3 | -30.8 | 178 | -77.1 | -63.5 | 0 | 0 | 0 | 113.9 | I485 W486 | I485-F489 HydrophobicContact CG2-CD2 3.99Å; I485-F489 HydrophobicContact CG2-CE2 3.83Å; I485-F489 WeakPolarHBondContact O-CD2 3.43Å; I485-F489 PolarHBondContact O-N 3.13Å; W486-F489 PolarHBondContact O-N 3.43Å |
| 490 | H | 79 | Confident | 70.6 | Confident | 96 Ų | 96 | 76 Ų | 76 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | trans | -137.2 | 76.8 | -173.4 | -68 | -64.5 | 0 | 0 | 0 | 111.4 | W486 D492 A493 | W486-H490 AromaticContact CE2-CD2 3.53Å; W486-H490 AromaticContact CH2-CD2 3.93Å; W486-H490 AromaticContact CZ2-CD2 3.44Å; W486-H490 VanDerWaalsContact CZ2-CD2 3.44Å; W486-H490 WeakPolarHBondContact CZ2-CD2 3.39Å; W486-H490 AromaticContact NE1-CD2 3.86Å; W486-H490 PolarHBondContact O-N 3.43Å; H490-D492 VanDerWaalsContact C-N 3.28Å; H490-D492 PolarHBondContact O-N 2.93Å; H490-A493 HydrophobicContact CB-CB 3.89Å; H490-A493 PolarHBondContact O-N 2.92Å | ||
| 491 | P | 69.3 | Low | 70 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -34.9 | 178.9 | 25.4 | -34.2 | 0 | 0 | 0 | 112.7 | A493 | P491-A493 VanDerWaalsContact C-N 3.32Å; P491-A493 PolarHBondContact O-N 3.29Å |
| 492 | D | 62.2 | Low | 69.2 | Low | 147 Ų | 147 | 78 Ų | 78 | 79% | 0.786 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.6 | -174.3 | -46.9 | -59.8 | 0 | 0 | 0 | 113.9 | H490 S494 | H490-D492 VanDerWaalsContact C-N 3.28Å; H490-D492 PolarHBondContact O-N 2.93Å; D492-S494 PolarHBondContact O-N 3.07Å; D492-S494 PolarHBondContact O-OG 3.12Å |
| 493 | A | 59.9 | Low | 68.5 | Low | 39 Ų | 39 | 76.7 Ų | 76.7 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | trans | -76.7 | 39.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H490 P491 F495 I497 | H490-A493 HydrophobicContact CB-CB 3.89Å; H490-A493 PolarHBondContact O-N 2.92Å; P491-A493 VanDerWaalsContact C-N 3.32Å; P491-A493 PolarHBondContact O-N 3.29Å; A493-F495 PolarHBondContact O-N 2.91Å; A493-I497 HydrophobicContact CB-CD1 3.83Å; A493-I497 VanDerWaalsContact O-CD1 3.28Å; A493-I497 WeakPolarHBondContact O-CD1 3.34Å | ||
| 494 | S | 57.3 | Low | 68.3 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | -163.9 | 53 | 0 | 0 | 0 | 0 | 115 | D492 S498 | D492-S494 PolarHBondContact O-N 3.07Å; D492-S494 PolarHBondContact O-OG 3.12Å; S494-S498 WeakPolarHBondContact O-CB 3.43Å; S494-S498 PolarHBondContact O-N 3.26Å |
| 495 | F | 54.4 | Low | 67.9 | Low | 90 Ų | 90 | 76 Ų | 76 | 40% | 0.395 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.1 | -57.9 | -168 | -166.7 | -107.4 | 0 | 0 | 0 | 113.7 | A493 I497 S498 R1034 M1037 | A493-F495 PolarHBondContact O-N 2.91Å; F495-I497 PolarHBondContact O-N 2.83Å; F495-S498 WeakPolarHBondContact O-CB 3.34Å; F495-S498 PolarHBondContact O-N 3.44Å; F495-R1034 VanDerWaalsContact CE1-NH1 3.35Å; F495-R1034 VanDerWaalsContact CE2-CZ 3.41Å; F495-M1037 HydrophobicContact CE1-CE 4.46Å; F495-M1037 HydrophobicContact CE2-CE 4.47Å; F495-M1037 HydrophobicContact CZ-CE 3.63Å |
| 496 | G | 56.6 | Low | 67.4 | Low | 52 Ų | 52 | 74.2 Ų | 74.2 | 54% | 0.536 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 497 | I | 60 | Low | 67.2 | Low | 42 Ų | 42 | 70.5 Ų | 70.5 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -78.2 | -21.4 | 179.7 | -73.1 | 91.1 | 0 | 0 | 0 | 111.8 | E483 W486 A493 F495 V499 L500 | E483-I497 HydrophobicContact CG-CG2 4.38Å; W486-I497 HydrophobicContact CG-CG1 4.39Å; A493-I497 HydrophobicContact CB-CD1 3.83Å; A493-I497 VanDerWaalsContact O-CD1 3.28Å; A493-I497 WeakPolarHBondContact O-CD1 3.34Å; F495-I497 PolarHBondContact O-N 2.83Å; I497-V499 PolarHBondContact O-N 3.38Å; I497-L500 HydrophobicContact CG1-CD1 4.25Å; I497-L500 HydrophobicContact CG2-CD1 4.3Å; I497-L500 VanDerWaalsContact O-CB 3.29Å; I497-L500 WeakPolarHBondContact O-CB 3.25Å; I497-L500 PolarHBondContact O-N 3.22Å |
| 498 | S | 60.6 | Low | 67.3 | Low | 26 Ų | 26 | 69.6 Ų | 69.6 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.8 | -35.5 | 175.5 | -165.2 | 0 | 0 | 0 | 0 | 112.7 | S494 F495 L500 R501 | S494-S498 WeakPolarHBondContact O-CB 3.43Å; S494-S498 PolarHBondContact O-N 3.26Å; F495-S498 WeakPolarHBondContact O-CB 3.34Å; F495-S498 PolarHBondContact O-N 3.44Å; S498-L500 PolarHBondContact O-N 3Å; S498-R501 WeakPolarHBondContact O-CB 3.31Å; S498-R501 PolarHBondContact O-N 3.03Å; S498-R501 VanDerWaalsContact O-N 3.11Å; S498-R501 PolarHBondContact OG-NH2 2.97Å |
| 499 | V | 63.9 | Low | 66.9 | Low | 79 Ų | 79 | 64 Ų | 64 | 48% | 0.479 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -26.2 | 177 | -172.5 | 0 | 0 | 0 | 0 | 112 | I497 R501 A502 L951 | I497-V499 PolarHBondContact O-N 3.38Å; V499-R501 VanDerWaalsContact C-N 3.26Å; V499-R501 PolarHBondContact O-N 3.22Å; V499-A502 WeakPolarHBondContact O-CB 3.44Å; V499-A502 PolarHBondContact O-N 3.29Å; V499-A502 VanDerWaalsContact O-N 3.16Å; V499-L951 HydrophobicContact CG2-CD2 4.26Å |
| 500 | L | 65.5 | Low | 66.3 | Low | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68 | -25.7 | 176.4 | -55.4 | -178 | 0 | 0 | 0 | 112.2 | E483 I497 S498 A502 L503 | E483-L500 HydrophobicContact CG-CB 4.11Å; I497-L500 HydrophobicContact CG1-CD1 4.25Å; I497-L500 HydrophobicContact CG2-CD1 4.3Å; I497-L500 VanDerWaalsContact O-CB 3.29Å; I497-L500 WeakPolarHBondContact O-CB 3.25Å; I497-L500 PolarHBondContact O-N 3.22Å; S498-L500 PolarHBondContact O-N 3Å; L500-A502 PolarHBondContact O-N 3.49Å; L500-L503 HydrophobicContact CB-CD1 4.38Å; L500-L503 HydrophobicContact CD2-CD1 3.56Å; L500-L503 HydrophobicContact CD2-CG 4.48Å; L500-L503 VanDerWaalsContact O-CB 3.28Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 PolarHBondContact O-N 3.44Å |
| 501 | R | 65.7 | Low | 66 | Low | 97 Ų | 97 | 55.7 Ų | 55.7 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 171.6 | -65.8 | -171 | -84 | 168.6 | -11 | 111.6 | E483 S498 V499 L503 R504 | E483-R501 WeakPolarHBondContact OE1-CG 3.43Å; S498-R501 WeakPolarHBondContact O-CB 3.31Å; S498-R501 PolarHBondContact O-N 3.03Å; S498-R501 VanDerWaalsContact O-N 3.11Å; S498-R501 PolarHBondContact OG-NH2 2.97Å; V499-R501 VanDerWaalsContact C-N 3.26Å; V499-R501 PolarHBondContact O-N 3.22Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 3.19Å; R501-R504 VanDerWaalsContact O-CB 3.24Å; R501-R504 WeakPolarHBondContact O-CB 3.43Å; R501-R504 WeakPolarHBondContact O-CD 3.32Å; R501-R504 WeakPolarHBondContact O-CG 3.04Å; R501-R504 PolarHBondContact O-N 2.82Å |
| 502 | A | 66.7 | Low | 66 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -25.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V499 L500 R504 L505 I947 | V499-A502 WeakPolarHBondContact O-CB 3.44Å; V499-A502 PolarHBondContact O-N 3.29Å; V499-A502 VanDerWaalsContact O-N 3.16Å; L500-A502 PolarHBondContact O-N 3.49Å; A502-R504 PolarHBondContact O-N 3.1Å; A502-R504 VanDerWaalsContact O-N 3.14Å; A502-L505 VanDerWaalsContact O-CB 3.25Å; A502-L505 WeakPolarHBondContact O-CB 3.28Å; A502-L505 WeakPolarHBondContact O-CG 3.49Å; A502-L505 PolarHBondContact O-N 2.65Å; A502-I947 HydrophobicContact CB-CG1 4.28Å |
| 503 | L | 66.8 | Low | 66.3 | Low | 81 Ų | 81 | 48.5 Ų | 48.5 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -63.7 | -19.5 | 175.3 | -59.6 | 177.5 | 0 | 0 | 0 | 112.9 | L500 R501 L505 L506 | L500-L503 HydrophobicContact CB-CD1 4.38Å; L500-L503 HydrophobicContact CD2-CD1 3.56Å; L500-L503 HydrophobicContact CD2-CG 4.48Å; L500-L503 VanDerWaalsContact O-CB 3.28Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 PolarHBondContact O-N 3.44Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 3.19Å; L503-L505 PolarHBondContact O-N 3.05Å; L503-L506 HydrophobicContact CB-CD1 4.21Å; L503-L506 HydrophobicContact CD2-CD1 3.87Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 VanDerWaalsContact O-CG 3.24Å; L503-L506 WeakPolarHBondContact O-CG 3.4Å; L503-L506 PolarHBondContact O-N 3.3Å; L503-L506 VanDerWaalsContact O-N 3.07Å |
| 504 | R | 70.5 | Confident | 66.5 | Low | 36 Ų | 36 | 49.7 Ų | 49.7 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -63.1 | -29.9 | 174 | -54.4 | 164.5 | -176.5 | -172.1 | -19.7 | 111.1 | E441 E483 R501 A502 L506 R507 | E441-R504 VanDerWaalsContact CD-CZ 3.49Å; E441-R504 IonicContact OE1-CZ 3.77Å; E441-R504 IonicContact OE1-NH1 3.11Å; E441-R504 PolarHBondContact OE1-NH1 2.63Å; E441-R504 IonicContact OE1-NH2 2.67Å; E441-R504 IonicContact OE2-CZ 2.82Å; E441-R504 VanDerWaalsContact OE2-CZ 3.27Å; E441-R504 IonicContact OE2-NH1 3.66Å; E441-R504 PolarHBondContact OE2-NH1 2.65Å; E441-R504 VanDerWaalsContact OE2-NH1 3.15Å; E441-R504 IonicContact OE2-NH2 3.42Å; E441-R504 PolarHBondContact OE2-NH2 2.96Å; E483-R504 IonicContact OE1-CZ 3Å; E483-R504 VanDerWaalsContact OE1-CZ 3.29Å; E483-R504 IonicContact OE1-NE 3.69Å; E483-R504 PolarHBondContact OE1-NE 3Å; E483-R504 IonicContact OE1-NH2 2.83Å; E483-R504 PolarHBondContact OE1-NH2 3.38Å; E483-R504 IonicContact OE2-CZ 3.36Å; E483-R504 IonicContact OE2-NE 3.56Å; E483-R504 PolarHBondContact OE2-NE 3.22Å; E483-R504 IonicContact OE2-NH2 2.75Å; R501-R504 VanDerWaalsContact O-CB 3.24Å; R501-R504 WeakPolarHBondContact O-CB 3.43Å; R501-R504 WeakPolarHBondContact O-CD 3.32Å; R501-R504 WeakPolarHBondContact O-CG 3.04Å; R501-R504 PolarHBondContact O-N 2.82Å; A502-R504 PolarHBondContact O-N 3.1Å; A502-R504 VanDerWaalsContact O-N 3.14Å; R504-L506 PolarHBondContact O-N 3.27Å; R504-R507 VanDerWaalsContact O-CB 3.31Å; R504-R507 WeakPolarHBondContact O-CB 3.32Å; R504-R507 VanDerWaalsContact O-CD 3.23Å; R504-R507 WeakPolarHBondContact O-CD 3.26Å; R504-R507 WeakPolarHBondContact O-CG 3.46Å; R504-R507 PolarHBondContact O-N 2.93Å |
| 505 | L | 70.1 | Confident | 67 | Low | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.1 | -24.1 | 174.5 | -57.4 | 171.7 | 0 | 0 | 0 | 112.4 | A502 L503 R507 I508 V946 I947 | A502-L505 VanDerWaalsContact O-CB 3.25Å; A502-L505 WeakPolarHBondContact O-CB 3.28Å; A502-L505 WeakPolarHBondContact O-CG 3.49Å; A502-L505 PolarHBondContact O-N 2.65Å; L503-L505 PolarHBondContact O-N 3.05Å; L505-R507 PolarHBondContact O-N 2.91Å; L505-I508 VanDerWaalsContact O-CB 3.29Å; L505-I508 WeakPolarHBondContact O-CB 2.9Å; L505-I508 WeakPolarHBondContact O-CG2 3.4Å; L505-I508 PolarHBondContact O-N 2.93Å; L505-V946 HydrophobicContact CD1-CB 3.92Å; L505-V946 HydrophobicContact CD1-CG1 3.71Å; L505-V946 HydrophobicContact CD2-CG1 3.88Å; L505-V946 HydrophobicContact CG-CG1 4.41Å; L505-I947 HydrophobicContact CD1-CG1 3.99Å |
| 506 | L | 71.3 | Confident | 67.6 | Low | 56 Ų | 56 | 48.9 Ų | 48.9 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58 | -18.3 | 175.3 | -60.1 | 179.8 | 0 | 0 | 0 | 112.9 | F472 V476 L503 R504 I508 F509 | F472-L506 WeakPolarHBondContact CE1-O 3.43Å; F472-L506 HydrophobicContact CZ-CB 3.99Å; F472-L506 WeakPolarHBondContact CZ-O 3.06Å; V476-L506 HydrophobicContact CG2-CB 4.07Å; L503-L506 HydrophobicContact CB-CD1 4.21Å; L503-L506 HydrophobicContact CD2-CD1 3.87Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 VanDerWaalsContact O-CG 3.24Å; L503-L506 WeakPolarHBondContact O-CG 3.4Å; L503-L506 PolarHBondContact O-N 3.3Å; L503-L506 VanDerWaalsContact O-N 3.07Å; R504-L506 PolarHBondContact O-N 3.27Å; L506-I508 PolarHBondContact O-N 3.47Å; L506-F509 HydrophobicContact CB-CD2 4.36Å; L506-F509 HydrophobicContact CD2-CD2 3.84Å; L506-F509 HydrophobicContact CD2-CE2 3.62Å; L506-F509 WeakPolarHBondContact O-CB 3.3Å; L506-F509 PolarHBondContact O-N 3.04Å |
| 507 | R | 74 | Confident | 68 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -57.5 | -28.3 | 169.8 | -63.7 | 167.1 | -173.8 | 178.1 | 3.6 | 112.2 | V415 N418 V476 S480 R504 L505 F509 K510 | V415-R507 WeakPolarHBondContact CG1-O 3.38Å; N418-R507 WeakPolarHBondContact OD1-CD 3.46Å; N418-R507 PolarHBondContact OD1-NH1 3.47Å; V476-R507 HydrophobicContact CG1-CG 3.62Å; S480-R507 PolarHBondContact OG-NH2 3.36Å; R504-R507 VanDerWaalsContact O-CB 3.31Å; R504-R507 WeakPolarHBondContact O-CB 3.32Å; R504-R507 VanDerWaalsContact O-CD 3.23Å; R504-R507 WeakPolarHBondContact O-CD 3.26Å; R504-R507 WeakPolarHBondContact O-CG 3.46Å; R504-R507 PolarHBondContact O-N 2.93Å; L505-R507 PolarHBondContact O-N 2.91Å; R507-F509 PolarHBondContact O-N 3.27Å; R507-K510 VanDerWaalsContact O-CB 3.26Å; R507-K510 WeakPolarHBondContact O-CB 3.42Å; R507-K510 PolarHBondContact O-N 2.86Å |
| 508 | I | 75.1 | Confident | 68.4 | Low | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.3 | 174 | -152.6 | 177.3 | 0 | 0 | 0 | 111.9 | T419 L505 L506 K510 V511 F942 I943 | T419-I508 HydrophobicContact CG2-CD1 3.88Å; T419-I508 HydrophobicContact CG2-CG1 4.39Å; L505-I508 VanDerWaalsContact O-CB 3.29Å; L505-I508 WeakPolarHBondContact O-CB 2.9Å; L505-I508 WeakPolarHBondContact O-CG2 3.4Å; L505-I508 PolarHBondContact O-N 2.93Å; L506-I508 PolarHBondContact O-N 3.47Å; I508-K510 PolarHBondContact O-N 2.84Å; I508-K510 VanDerWaalsContact O-N 3.07Å; I508-V511 VanDerWaalsContact O-CB 3.31Å; I508-V511 WeakPolarHBondContact O-CB 3.21Å; I508-V511 WeakPolarHBondContact O-CG2 3.31Å; I508-V511 PolarHBondContact O-N 3.3Å; I508-F942 HydrophobicContact CD1-CD1 4.5Å; I508-F942 HydrophobicContact CD1-CE1 4.34Å; I508-I943 HydrophobicContact CD1-CG1 4.41Å; I508-I943 HydrophobicContact CG2-CD1 3.73Å; I508-I943 HydrophobicContact CG2-CG1 4.15Å |
| 509 | F | 72.6 | Confident | 68.8 | Low | 53 Ų | 53 | 51.2 Ų | 51.2 | 23% | 0.232 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.2 | -10 | 176.2 | -68.6 | -63.1 | 0 | 0 | 0 | 113.2 | F472 L506 R507 V511 T512 I943 | F472-F509 HydrophobicContact CE1-CB 3.96Å; F472-F509 HydrophobicContact CZ-CB 3.82Å; F472-F509 HydrophobicContact CZ-CD2 4.2Å; F472-F509 HydrophobicContact CZ-CG 4.46Å; L506-F509 HydrophobicContact CB-CD2 4.36Å; L506-F509 HydrophobicContact CD2-CD2 3.84Å; L506-F509 HydrophobicContact CD2-CE2 3.62Å; L506-F509 WeakPolarHBondContact O-CB 3.3Å; L506-F509 PolarHBondContact O-N 3.04Å; R507-F509 PolarHBondContact O-N 3.27Å; F509-V511 PolarHBondContact O-N 2.9Å; F509-T512 HydrophobicContact CB-CG2 4.31Å; F509-T512 HydrophobicContact CD1-CG2 3.78Å; F509-T512 WeakPolarHBondContact O-CB 3.47Å; F509-T512 PolarHBondContact O-N 3.13Å; F509-T512 PolarHBondContact O-OG1 2.67Å; F509-I943 HydrophobicContact CE1-CD1 4.46Å; F509-I943 HydrophobicContact CZ-CD1 4.28Å |
| 510 | K | 71.7 | Confident | 69 | Low | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.078 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -55.8 | -30.4 | 164.4 | -76.8 | -176.6 | 168.2 | 177.5 | 0 | 111.6 | V415 E451 D473 R507 I508 T512 R513 Y514 | V415-K510 HydrophobicContact CG2-CB 4.03Å; V415-K510 HydrophobicContact CG2-CD 3.54Å; V415-K510 HydrophobicContact CG2-CG 4.32Å; E451-K510 IonicContact OE1-NZ 2.64Å; E451-K510 IonicContact OE2-NZ 2.95Å; E451-K510 PolarHBondContact OE2-NZ 2.92Å; D473-K510 VanDerWaalsContact CG-CE 3.43Å; D473-K510 WeakPolarHBondContact OD1-CE 3.22Å; D473-K510 IonicContact OD1-NZ 3.98Å; D473-K510 PolarHBondContact OD1-NZ 3.4Å; D473-K510 IonicContact OD2-NZ 3.84Å; R507-K510 VanDerWaalsContact O-CB 3.26Å; R507-K510 WeakPolarHBondContact O-CB 3.42Å; R507-K510 PolarHBondContact O-N 2.86Å; I508-K510 PolarHBondContact O-N 2.84Å; I508-K510 VanDerWaalsContact O-N 3.07Å; K510-T512 VanDerWaalsContact C-N 3.3Å; K510-T512 PolarHBondContact O-N 2.78Å; K510-R513 WeakPolarHBondContact O-CB 3.48Å; K510-R513 PolarHBondContact O-N 2.71Å; K510-Y514 WeakPolarHBondContact O-CD2 3.35Å; K510-Y514 VanDerWaalsContact O-CE2 3.26Å; K510-Y514 WeakPolarHBondContact O-CE2 3.28Å |
| 511 | V | 71.1 | Confident | 69 | Low | 47 Ų | 47 | 47.5 Ų | 47.5 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -61.2 | -35.5 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 112 | I508 F509 R513 Y514 W515 | I508-V511 VanDerWaalsContact O-CB 3.31Å; I508-V511 WeakPolarHBondContact O-CB 3.21Å; I508-V511 WeakPolarHBondContact O-CG2 3.31Å; I508-V511 PolarHBondContact O-N 3.3Å; F509-V511 PolarHBondContact O-N 2.9Å; V511-R513 PolarHBondContact O-N 3.22Å; V511-Y514 PolarHBondContact O-N 3.4Å; V511-W515 HydrophobicContact CG1-CB 4.4Å; V511-W515 HydrophobicContact CG1-CE3 4.43Å; V511-W515 PolarHBondContact O-N 3.37Å |
| 512 | T | 69.3 | Low | 69.2 | Low | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.5 | -30.2 | 178.3 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | F509 K510 Y514 L518 R519 V522 | F509-T512 HydrophobicContact CB-CG2 4.31Å; F509-T512 HydrophobicContact CD1-CG2 3.78Å; F509-T512 WeakPolarHBondContact O-CB 3.47Å; F509-T512 PolarHBondContact O-N 3.13Å; F509-T512 PolarHBondContact O-OG1 2.67Å; K510-T512 VanDerWaalsContact C-N 3.3Å; K510-T512 PolarHBondContact O-N 2.78Å; T512-Y514 PolarHBondContact O-N 2.99Å; T512-L518 HydrophobicContact CG2-CD2 3.84Å; T512-L518 HydrophobicContact CG2-CG 4.02Å; T512-R519 WeakPolarHBondContact O-CB 3.41Å; T512-R519 WeakPolarHBondContact O-CG 3.34Å; T512-V522 HydrophobicContact CG2-CG2 4.43Å |
| 513 | R | 68.5 | Low | 69.2 | Low | 78 Ų | 78 | 48 Ų | 48 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.7 | -29.3 | 177.4 | -174.9 | 179.4 | 179.8 | 145.5 | 5.7 | 112.2 | F469 N470 K510 V511 | F469-R513 HydrophobicContact CB-CG 4.37Å; F469-R513 HydrophobicContact CD1-CB 3.87Å; F469-R513 HydrophobicContact CD1-CG 4.16Å; F469-R513 HydrophobicContact CD2-CG 4.12Å; F469-R513 HydrophobicContact CE1-CB 3.98Å; F469-R513 HydrophobicContact CE2-CG 4.46Å; F469-R513 HydrophobicContact CG-CB 4.2Å; F469-R513 HydrophobicContact CG-CG 3.96Å; F469-R513 HydrophobicContact CZ-CB 4.4Å; N470-R513 PolarHBondContact OD1-NH1 3.15Å; K510-R513 WeakPolarHBondContact O-CB 3.48Å; K510-R513 PolarHBondContact O-N 2.71Å; V511-R513 PolarHBondContact O-N 3.22Å |
| 514 | Y | 65.3 | Low | 69.1 | Low | 65 Ų | 65 | 45.3 Ų | 45.3 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -34.9 | -165.9 | -53.8 | -56.3 | 0 | 0 | 0 | 112.8 | Y408 I412 K510 V511 T512 A516 | Y408-Y514 AromaticContact CD2-CD1 3.85Å; Y408-Y514 HydrophobicContact CD2-CD1 3.85Å; Y408-Y514 AromaticContact CD2-CE1 3.56Å; Y408-Y514 HydrophobicContact CD2-CE1 3.56Å; Y408-Y514 HydrophobicContact CD2-CE2 4.38Å; Y408-Y514 HydrophobicContact CD2-CG 4.36Å; Y408-Y514 AromaticContact CD2-CZ 3.86Å; Y408-Y514 AromaticContact CE2-CD1 3.25Å; Y408-Y514 HydrophobicContact CE2-CD1 3.25Å; Y408-Y514 AromaticContact CE2-CD2 3.87Å; Y408-Y514 HydrophobicContact CE2-CD2 3.87Å; Y408-Y514 AromaticContact CE2-CE1 3.48Å; Y408-Y514 HydrophobicContact CE2-CE1 3.48Å; Y408-Y514 VanDerWaalsContact CE2-CE1 3.48Å; Y408-Y514 HydrophobicContact CE2-CE2 4.08Å; Y408-Y514 AromaticContact CE2-CG 3.45Å; Y408-Y514 HydrophobicContact CE2-CG 3.45Å; Y408-Y514 VanDerWaalsContact CE2-CG 3.45Å; Y408-Y514 AromaticContact CE2-CZ 3.89Å; I412-Y514 HydrophobicContact CD1-CD2 3.9Å; I412-Y514 HydrophobicContact CD1-CE2 4.44Å; I412-Y514 HydrophobicContact CD1-CG 4.3Å; I412-Y514 HydrophobicContact CG1-CD2 3.94Å; I412-Y514 HydrophobicContact CG1-CE2 4.04Å; K510-Y514 WeakPolarHBondContact O-CD2 3.35Å; K510-Y514 VanDerWaalsContact O-CE2 3.26Å; K510-Y514 WeakPolarHBondContact O-CE2 3.28Å; V511-Y514 PolarHBondContact O-N 3.4Å; T512-Y514 PolarHBondContact O-N 2.99Å; Y514-A516 PolarHBondContact O-N 3.13Å |
| 515 | W | 67.3 | Low | 68.8 | Low | 112 Ų | 112 | 45.3 Ų | 45.3 | 42% | 0.424 | 23% | 0.23 | S | C | . | . | trans | -88.5 | 98.2 | 179.4 | -153.9 | 18.2 | 0 | 0 | 0 | 109.9 | V511 S517 L518 R519 I935 | V511-W515 HydrophobicContact CG1-CB 4.4Å; V511-W515 HydrophobicContact CG1-CE3 4.43Å; V511-W515 PolarHBondContact O-N 3.37Å; W515-S517 VanDerWaalsContact C-N 3.34Å; W515-S517 PolarHBondContact O-N 3Å; W515-L518 HydrophobicContact CB-CB 4.28Å; W515-L518 HydrophobicContact CD2-CB 4.45Å; W515-L518 HydrophobicContact CE3-CB 4.08Å; W515-L518 HydrophobicContact CE3-CD2 3.91Å; W515-L518 HydrophobicContact CZ3-CD2 4.5Å; W515-L518 PolarHBondContact O-N 3.16Å; W515-L518 VanDerWaalsContact O-N 3.16Å; W515-R519 PolarHBondContact O-N 2.68Å; W515-I935 HydrophobicContact CH2-CB 4.38Å; W515-I935 HydrophobicContact CH2-CG2 3.72Å; W515-I935 HydrophobicContact CZ3-CG2 4.35Å | ||
| 516 | A | 67.3 | Low | 68.9 | Low | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.4 | -38.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y514 R519 N520 | Y514-A516 PolarHBondContact O-N 3.13Å; A516-R519 WeakPolarHBondContact O-CB 3.49Å; A516-R519 PolarHBondContact O-N 2.87Å; A516-N520 WeakPolarHBondContact O-CB 3.41Å; A516-N520 PolarHBondContact O-N 3.33Å; A516-N520 PolarHBondContact O-OD1 3.4Å |
| 517 | S | 64.2 | Low | 68.7 | Low | 79 Ų | 79 | 51.8 Ų | 51.8 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.5 | -53.6 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | W515 R519 N520 L521 | W515-S517 VanDerWaalsContact C-N 3.34Å; W515-S517 PolarHBondContact O-N 3Å; S517-R519 VanDerWaalsContact C-N 3.27Å; S517-R519 PolarHBondContact O-N 3.46Å; S517-N520 PolarHBondContact O-N 2.62Å; S517-N520 VanDerWaalsContact O-N 3.12Å; S517-L521 WeakPolarHBondContact O-CB 3.39Å; S517-L521 PolarHBondContact O-N 3.02Å |
| 518 | L | 68.4 | Low | 68.4 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -37.2 | 176.7 | -176.5 | 62.2 | 0 | 0 | 0 | 112 | T512 W515 L521 V522 V936 | T512-L518 HydrophobicContact CG2-CD2 3.84Å; T512-L518 HydrophobicContact CG2-CG 4.02Å; W515-L518 HydrophobicContact CB-CB 4.28Å; W515-L518 HydrophobicContact CD2-CB 4.45Å; W515-L518 HydrophobicContact CE3-CB 4.08Å; W515-L518 HydrophobicContact CE3-CD2 3.91Å; W515-L518 HydrophobicContact CZ3-CD2 4.5Å; W515-L518 PolarHBondContact O-N 3.16Å; W515-L518 VanDerWaalsContact O-N 3.16Å; L518-L521 HydrophobicContact CD1-CD2 4.1Å; L518-V522 HydrophobicContact CD1-CG2 4.46Å; L518-V522 WeakPolarHBondContact O-CB 3.49Å; L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.13Å; L518-V522 PolarHBondContact O-N 3.05Å; L518-V936 HydrophobicContact CD1-CG1 3.96Å; L518-V936 HydrophobicContact CD1-CG2 4.11Å |
| 519 | R | 70.3 | Confident | 68.2 | Low | 86 Ų | 86 | 54.2 Ų | 54.2 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 173.7 | -163.1 | -169.2 | 59.7 | -143 | -10.8 | 112.3 | F469 T512 W515 A516 S517 L521 V522 L523 | F469-R519 HydrophobicContact CZ-CG 4.25Å; T512-R519 WeakPolarHBondContact O-CB 3.41Å; T512-R519 WeakPolarHBondContact O-CG 3.34Å; W515-R519 PolarHBondContact O-N 2.68Å; A516-R519 WeakPolarHBondContact O-CB 3.49Å; A516-R519 PolarHBondContact O-N 2.87Å; S517-R519 VanDerWaalsContact C-N 3.27Å; S517-R519 PolarHBondContact O-N 3.46Å; R519-L521 VanDerWaalsContact C-N 3.34Å; R519-V522 PolarHBondContact O-N 3.5Å; R519-L523 HydrophobicContact CG-CD1 4.25Å; R519-L523 WeakPolarHBondContact O-CG 3.1Å; R519-L523 PolarHBondContact O-N 3.39Å |
| 520 | N | 66.9 | Low | 68 | Low | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.9 | -35.4 | -174.7 | -65 | 0.2 | 0 | 0 | 0 | 110.3 | A516 S517 L523 S524 L642 E646 | A516-N520 WeakPolarHBondContact O-CB 3.41Å; A516-N520 PolarHBondContact O-N 3.33Å; A516-N520 PolarHBondContact O-OD1 3.4Å; S517-N520 PolarHBondContact O-N 2.62Å; S517-N520 VanDerWaalsContact O-N 3.12Å; N520-L523 PolarHBondContact O-N 2.93Å; N520-S524 WeakPolarHBondContact O-CB 3.24Å; N520-S524 PolarHBondContact O-N 3.11Å; N520-L642 HydrophobicContact CB-CD2 3.95Å; N520-E646 PolarHBondContact ND2-OE1 3.25Å |
| 521 | L | 66.7 | Low | 67.8 | Low | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.131 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 168.5 | 166.6 | 162 | 0 | 0 | 0 | 112.5 | S517 L518 R519 L523 S524 L525 V936 F1051 I1055 | S517-L521 WeakPolarHBondContact O-CB 3.39Å; S517-L521 PolarHBondContact O-N 3.02Å; L518-L521 HydrophobicContact CD1-CD2 4.1Å; R519-L521 VanDerWaalsContact C-N 3.34Å; L521-L523 VanDerWaalsContact C-N 3.34Å; L521-L523 PolarHBondContact O-N 3.18Å; L521-S524 WeakPolarHBondContact O-CB 3.39Å; L521-S524 PolarHBondContact O-N 3.3Å; L521-L525 HydrophobicContact CD2-CD1 4.32Å; L521-L525 PolarHBondContact O-N 3.12Å; L521-V936 HydrophobicContact CD1-CG1 4.35Å; L521-V936 HydrophobicContact CD1-CG2 4.48Å; L521-F1051 HydrophobicContact CD1-CZ 4.12Å; L521-F1051 HydrophobicContact CD2-CE2 4.19Å; L521-F1051 HydrophobicContact CD2-CZ 3.68Å; L521-F1051 HydrophobicContact CG-CE2 4.38Å; L521-F1051 HydrophobicContact CG-CZ 4.11Å; L521-I1055 HydrophobicContact CD1-CD1 4Å; L521-I1055 HydrophobicContact CG-CD1 4.17Å |
| 522 | V | 68.2 | Low | 67.8 | Low | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.218 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | T512 L518 R519 L525 L526 | T512-V522 HydrophobicContact CG2-CG2 4.43Å; L518-V522 HydrophobicContact CD1-CG2 4.46Å; L518-V522 WeakPolarHBondContact O-CB 3.49Å; L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.13Å; L518-V522 PolarHBondContact O-N 3.05Å; R519-V522 PolarHBondContact O-N 3.5Å; V522-L525 WeakPolarHBondContact O-CB 3.42Å; V522-L526 HydrophobicContact CG1-CD1 4.1Å; V522-L526 VanDerWaalsContact O-CG 3.3Å; V522-L526 WeakPolarHBondContact O-CG 3.14Å; V522-L526 PolarHBondContact O-N 3.44Å |
| 523 | L | 67.3 | Low | 68.1 | Low | 88 Ų | 88 | 66.4 Ų | 66.4 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 173.4 | -71.3 | 168.9 | 0 | 0 | 0 | 112.1 | R519 N520 L521 L526 N527 | R519-L523 HydrophobicContact CG-CD1 4.25Å; R519-L523 WeakPolarHBondContact O-CG 3.1Å; R519-L523 PolarHBondContact O-N 3.39Å; N520-L523 PolarHBondContact O-N 2.93Å; L521-L523 VanDerWaalsContact C-N 3.34Å; L521-L523 PolarHBondContact O-N 3.18Å; L523-L526 PolarHBondContact O-N 2.94Å; L523-N527 PolarHBondContact O-N 2.88Å; L523-N527 VanDerWaalsContact O-N 3.13Å; L523-N527 PolarHBondContact O-ND2 2.93Å; L523-N527 VanDerWaalsContact O-ND2 3.16Å |
| 524 | S | 64.8 | Low | 68.2 | Low | 25 Ų | 25 | 64.2 Ų | 64.2 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 173.1 | -166 | 0 | 0 | 0 | 0 | 111.1 | N520 L521 L526 N527 S528 | N520-S524 WeakPolarHBondContact O-CB 3.24Å; N520-S524 PolarHBondContact O-N 3.11Å; L521-S524 WeakPolarHBondContact O-CB 3.39Å; L521-S524 PolarHBondContact O-N 3.3Å; S524-L526 PolarHBondContact O-N 3.03Å; S524-N527 WeakPolarHBondContact O-CB 3.34Å; S524-N527 PolarHBondContact O-N 3.2Å; S524-S528 PolarHBondContact O-N 3.39Å; S524-S528 PolarHBondContact O-OG 3.36Å |
| 525 | L | 65.5 | Low | 68.4 | Low | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53 | -53 | 171.3 | -89.9 | 178.9 | 0 | 0 | 0 | 112.5 | L521 V522 N527 S528 M529 F1051 | L521-L525 HydrophobicContact CD2-CD1 4.32Å; L521-L525 PolarHBondContact O-N 3.12Å; V522-L525 WeakPolarHBondContact O-CB 3.42Å; L525-N527 PolarHBondContact O-N 3.46Å; L525-S528 PolarHBondContact O-N 2.92Å; L525-S528 VanDerWaalsContact O-N 3.09Å; L525-S528 PolarHBondContact O-OG 3.03Å; L525-M529 WeakPolarHBondContact O-CB 3.39Å; L525-M529 VanDerWaalsContact O-CG 3.25Å; L525-M529 WeakPolarHBondContact O-CG 3.38Å; L525-M529 PolarHBondContact O-N 2.97Å; L525-F1051 HydrophobicContact CD1-CD2 4Å; L525-F1051 HydrophobicContact CD1-CE2 3.5Å; L525-F1051 HydrophobicContact CD1-CZ 3.93Å; L525-F1051 HydrophobicContact CD2-CD2 3.6Å; L525-F1051 HydrophobicContact CD2-CE2 3.78Å; L525-F1051 HydrophobicContact CG-CD2 4.05Å; L525-F1051 HydrophobicContact CG-CE2 3.68Å |
| 526 | L | 70.4 | Confident | 68.8 | Low | 117 Ų | 117 | 58.5 Ų | 58.5 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.8 | -24.5 | -177 | -72.1 | 170.1 | 0 | 0 | 0 | 112.9 | V522 L523 S524 | V522-L526 HydrophobicContact CG1-CD1 4.1Å; V522-L526 VanDerWaalsContact O-CG 3.3Å; V522-L526 WeakPolarHBondContact O-CG 3.14Å; V522-L526 PolarHBondContact O-N 3.44Å; L523-L526 PolarHBondContact O-N 2.94Å; S524-L526 PolarHBondContact O-N 3.03Å |
| 527 | N | 67.5 | Low | 69.3 | Low | 100 Ų | 100 | 60.1 Ų | 60.1 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.5 | -47.3 | 170.3 | -68.6 | -33.7 | 0 | 0 | 0 | 112 | L523 S524 L525 | L523-N527 PolarHBondContact O-N 2.88Å; L523-N527 VanDerWaalsContact O-N 3.13Å; L523-N527 PolarHBondContact O-ND2 2.93Å; L523-N527 VanDerWaalsContact O-ND2 3.16Å; S524-N527 WeakPolarHBondContact O-CB 3.34Å; S524-N527 PolarHBondContact O-N 3.2Å; L525-N527 PolarHBondContact O-N 3.46Å |
| 528 | S | 68.4 | Low | 70 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.9 | -22.3 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | S524 L525 R530 S531 I532 N635 | S524-S528 PolarHBondContact O-N 3.39Å; S524-S528 PolarHBondContact O-OG 3.36Å; L525-S528 PolarHBondContact O-N 2.92Å; L525-S528 VanDerWaalsContact O-N 3.09Å; L525-S528 PolarHBondContact O-OG 3.03Å; S528-R530 PolarHBondContact O-N 3.2Å; S528-S531 WeakPolarHBondContact O-CA 3.19Å; S528-S531 VanDerWaalsContact O-CB 3.23Å; S528-S531 WeakPolarHBondContact O-CB 3.48Å; S528-S531 PolarHBondContact O-N 2.71Å; S528-I532 WeakPolarHBondContact O-CG1 3.35Å; S528-I532 PolarHBondContact O-N 2.98Å; S528-N635 WeakPolarHBondContact CB-OD1 3.04Å; S528-N635 PolarHBondContact OG-OD1 2.81Å; S528-N635 VanDerWaalsContact OG-OD1 3.11Å |
| 529 | M | 70.3 | Confident | 70.6 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -51.4 | -31.3 | 175.3 | -84.1 | -65.7 | -73.5 | 0 | 0 | 114 | L525 I532 I533 | L525-M529 WeakPolarHBondContact O-CB 3.39Å; L525-M529 VanDerWaalsContact O-CG 3.25Å; L525-M529 WeakPolarHBondContact O-CG 3.38Å; L525-M529 PolarHBondContact O-N 2.97Å; M529-I532 HydrophobicContact SD-CD1 4.27Å; M529-I533 HydrophobicContact CE-CD1 4.26Å; M529-I533 HydrophobicContact CE-CG1 4.43Å; M529-I533 WeakPolarHBondContact O-CB 3.04Å; M529-I533 WeakPolarHBondContact O-CD1 3.44Å; M529-I533 VanDerWaalsContact O-CG1 3.24Å; M529-I533 WeakPolarHBondContact O-CG1 2.69Å; M529-I533 PolarHBondContact O-N 3.45Å |
| 530 | R | 68.2 | Low | 71.2 | Confident | 219 Ų | 219 | 58 Ų | 58 | 83% | 0.826 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.4 | -34.7 | 174.5 | -175.1 | 179.9 | -66.2 | -142.8 | -0.4 | 112.8 | S528 | S528-R530 PolarHBondContact O-N 3.2Å |
| 531 | S | 67.7 | Low | 72 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.8 | -52.9 | 172.9 | -155.8 | 0 | 0 | 0 | 0 | 109 | S528 I533 S534 L535 D634 | S528-S531 WeakPolarHBondContact O-CA 3.19Å; S528-S531 VanDerWaalsContact O-CB 3.23Å; S528-S531 WeakPolarHBondContact O-CB 3.48Å; S528-S531 PolarHBondContact O-N 2.71Å; S531-I533 PolarHBondContact O-N 3.43Å; S531-S534 PolarHBondContact O-N 3.4Å; S531-L535 PolarHBondContact O-N 2.92Å; S531-D634 PolarHBondContact OG-OD2 2.84Å |
| 532 | I | 71.5 | Confident | 72.9 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.5 | -49.5 | -178.8 | -62 | 167.5 | 0 | 0 | 0 | 111.8 | S528 M529 S534 L535 L536 I631 | S528-I532 WeakPolarHBondContact O-CG1 3.35Å; S528-I532 PolarHBondContact O-N 2.98Å; M529-I532 HydrophobicContact SD-CD1 4.27Å; I532-S534 VanDerWaalsContact C-N 3.27Å; I532-S534 PolarHBondContact O-N 2.85Å; I532-L535 PolarHBondContact O-N 3.47Å; I532-L536 HydrophobicContact CG2-CD1 3.71Å; I532-L536 HydrophobicContact CG2-CG 3.94Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 2.8Å; I532-I631 HydrophobicContact CD1-CG2 4.3Å; I532-I631 HydrophobicContact CG1-CD1 3.9Å; I532-I631 HydrophobicContact CG1-CG1 3.96Å; I532-I631 HydrophobicContact CG1-CG2 4.2Å; I532-I631 HydrophobicContact CG2-CD1 4.44Å |
| 533 | I | 75.4 | Confident | 73.9 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 179.9 | -70.7 | 165.1 | 0 | 0 | 0 | 112.2 | M529 S531 L535 F537 | M529-I533 HydrophobicContact CE-CD1 4.26Å; M529-I533 HydrophobicContact CE-CG1 4.43Å; M529-I533 WeakPolarHBondContact O-CB 3.04Å; M529-I533 WeakPolarHBondContact O-CD1 3.44Å; M529-I533 VanDerWaalsContact O-CG1 3.24Å; M529-I533 WeakPolarHBondContact O-CG1 2.69Å; M529-I533 PolarHBondContact O-N 3.45Å; S531-I533 PolarHBondContact O-N 3.43Å; I533-L535 VanDerWaalsContact C-N 3.27Å; I533-L535 PolarHBondContact O-N 3.48Å; I533-F537 PolarHBondContact O-N 3.4Å; I533-F537 VanDerWaalsContact O-N 3.16Å |
| 534 | S | 69.6 | Low | 74.9 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.5 | -19.7 | 177.5 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | S531 I532 | S531-S534 PolarHBondContact O-N 3.4Å; I532-S534 VanDerWaalsContact C-N 3.27Å; I532-S534 PolarHBondContact O-N 2.85Å |
| 535 | L | 70.3 | Confident | 76 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.1 | -41.7 | 176.7 | -65.7 | 176.2 | 0 | 0 | 0 | 111.5 | V113 S531 I532 I533 F537 L538 L539 V627 A630 I631 | V113-L535 HydrophobicContact CG1-CD2 3.74Å; V113-L535 HydrophobicContact CG2-CD2 4.11Å; S531-L535 PolarHBondContact O-N 2.92Å; I532-L535 PolarHBondContact O-N 3.47Å; I533-L535 VanDerWaalsContact C-N 3.27Å; I533-L535 PolarHBondContact O-N 3.48Å; L535-F537 PolarHBondContact O-N 2.99Å; L535-L538 WeakPolarHBondContact O-CA 3.38Å; L535-L538 WeakPolarHBondContact O-CB 3.4Å; L535-L538 PolarHBondContact O-N 2.96Å; L535-L539 PolarHBondContact O-N 3.34Å; L535-V627 HydrophobicContact CB-CB 4.46Å; L535-V627 HydrophobicContact CB-CG1 3.83Å; L535-V627 HydrophobicContact CB-CG2 3.98Å; L535-V627 HydrophobicContact CD1-CG1 4.27Å; L535-V627 HydrophobicContact CD2-CG2 4.35Å; L535-A630 HydrophobicContact CD1-CB 4.12Å; L535-I631 HydrophobicContact CD1-CD1 4.16Å; L535-I631 HydrophobicContact CD1-CG1 3.83Å |
| 536 | L | 75.7 | Confident | 77.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 172.6 | -67 | 179.7 | 0 | 0 | 0 | 112 | I532 L538 L539 F540 I1046 F1050 | I532-L536 HydrophobicContact CG2-CD1 3.71Å; I532-L536 HydrophobicContact CG2-CG 3.94Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 2.8Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-L538 PolarHBondContact O-N 2.99Å; L536-L539 HydrophobicContact CD2-CD2 4.44Å; L536-L539 PolarHBondContact O-N 3.48Å; L536-F540 WeakPolarHBondContact O-CB 3.29Å; L536-F540 PolarHBondContact O-N 3.27Å; L536-I1046 HydrophobicContact CD1-CG2 3.89Å; L536-I1046 HydrophobicContact CD2-CG2 3.73Å; L536-I1046 HydrophobicContact CG-CG2 4.49Å; L536-F1050 HydrophobicContact CD2-CD2 4.26Å; L536-F1050 HydrophobicContact CD2-CE2 3.86Å |
| 537 | F | 78.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.4 | -34.1 | 171.8 | -171.8 | -87.6 | 0 | 0 | 0 | 112.9 | F107 L110 I533 L535 L541 | F107-F537 HydrophobicContact CD2-CE1 4.45Å; F107-F537 HydrophobicContact CE2-CE1 4.32Å; F107-F537 HydrophobicContact CE2-CZ 4.25Å; L110-F537 HydrophobicContact CD1-CD1 3.59Å; L110-F537 HydrophobicContact CD1-CE1 3.6Å; L110-F537 HydrophobicContact CD2-CD1 4.12Å; L110-F537 HydrophobicContact CG-CD1 4.45Å; I533-F537 PolarHBondContact O-N 3.4Å; I533-F537 VanDerWaalsContact O-N 3.16Å; L535-F537 PolarHBondContact O-N 2.99Å; F537-L541 WeakPolarHBondContact O-CB 3.32Å; F537-L541 PolarHBondContact O-N 3.42Å |
| 538 | L | 78 | Confident | 79.2 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -44.1 | 174.7 | -171.7 | 79 | 0 | 0 | 0 | 110.8 | L110 V113 I117 L535 L536 L541 F542 | L110-L538 HydrophobicContact CD2-CB 4.43Å; L110-L538 HydrophobicContact CD2-CD1 4.43Å; V113-L538 HydrophobicContact CG1-CD2 3.84Å; I117-L538 HydrophobicContact CD1-CD2 3.6Å; L535-L538 WeakPolarHBondContact O-CA 3.38Å; L535-L538 WeakPolarHBondContact O-CB 3.4Å; L535-L538 PolarHBondContact O-N 2.96Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-L538 PolarHBondContact O-N 2.99Å; L538-L541 PolarHBondContact O-N 2.95Å; L538-F542 PolarHBondContact O-N 3.31Å |
| 539 | L | 80.1 | Confident | 80.2 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.3 | 177.8 | 63 | 0 | 0 | 0 | 111.2 | L535 L536 L541 F542 I543 L624 | L535-L539 PolarHBondContact O-N 3.34Å; L536-L539 HydrophobicContact CD2-CD2 4.44Å; L536-L539 PolarHBondContact O-N 3.48Å; L539-L541 VanDerWaalsContact C-N 3.28Å; L539-L541 PolarHBondContact O-N 2.9Å; L539-F542 WeakPolarHBondContact O-CB 3.39Å; L539-F542 PolarHBondContact O-N 2.97Å; L539-I543 HydrophobicContact CD1-CD1 4.24Å; L539-I543 HydrophobicContact CD1-CG1 4.39Å; L539-I543 HydrophobicContact CG-CD1 3.95Å; L539-I543 WeakPolarHBondContact O-CG1 3.27Å; L539-I543 PolarHBondContact O-N 2.91Å; L539-L624 HydrophobicContact CD1-CD2 3.57Å; L539-L624 HydrophobicContact CD1-CG 3.95Å; L539-L624 HydrophobicContact CD2-CD2 3.59Å; L539-L624 HydrophobicContact CG-CD2 4.23Å |
| 540 | F | 84.2 | Confident | 81.1 | Confident | 98 Ų | 98 | 40.8 Ų | 40.8 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 176.1 | 179.9 | -102.2 | 0 | 0 | 0 | 112.4 | L536 I543 L544 L576 | L536-F540 WeakPolarHBondContact O-CB 3.29Å; L536-F540 PolarHBondContact O-N 3.27Å; F540-I543 PolarHBondContact O-N 3.09Å; F540-L544 HydrophobicContact CE1-CD1 3.99Å; F540-L544 HydrophobicContact CZ-CD1 4.26Å; F540-L544 VanDerWaalsContact O-CB 3.24Å; F540-L544 WeakPolarHBondContact O-CB 3.46Å; F540-L544 PolarHBondContact O-N 3.32Å; F540-L576 HydrophobicContact CE2-CD1 4.42Å |
| 541 | L | 83.2 | Confident | 82.1 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 174.4 | -176.7 | 61.5 | 0 | 0 | 0 | 112.5 | P100 L103 V104 F537 L538 L539 I545 | P100-L541 HydrophobicContact CB-CD1 4.01Å; L103-L541 HydrophobicContact CD1-CD1 4.02Å; V104-L541 HydrophobicContact CG2-CD2 3.57Å; F537-L541 WeakPolarHBondContact O-CB 3.32Å; F537-L541 PolarHBondContact O-N 3.42Å; L538-L541 PolarHBondContact O-N 2.95Å; L539-L541 VanDerWaalsContact C-N 3.28Å; L539-L541 PolarHBondContact O-N 2.9Å; L541-I545 HydrophobicContact CD1-CD1 4.28Å; L541-I545 HydrophobicContact CG-CD1 4.17Å; L541-I545 WeakPolarHBondContact O-CD1 3.39Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.32Å; L541-I545 PolarHBondContact O-N 3.38Å; L541-I545 VanDerWaalsContact O-N 3.12Å |
| 542 | F | 85.4 | Confident | 83 | Confident | 30 Ų | 30 | 29.2 Ų | 29.2 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.4 | -51.1 | 173.2 | -177.4 | -79.9 | 0 | 0 | 0 | 111 | L538 L539 L544 I545 F546 L583 F619 G620 T623 | L538-F542 PolarHBondContact O-N 3.31Å; L539-F542 WeakPolarHBondContact O-CB 3.39Å; L539-F542 PolarHBondContact O-N 2.97Å; F542-L544 VanDerWaalsContact C-N 3.32Å; F542-L544 PolarHBondContact O-N 3.42Å; F542-I545 PolarHBondContact O-N 3.1Å; F542-F546 AromaticContact CD1-CD2 3.88Å; F542-F546 HydrophobicContact CD1-CD2 3.88Å; F542-F546 HydrophobicContact CD1-CE2 4.4Å; F542-F546 HydrophobicContact CD2-CD2 4.28Å; F542-F546 HydrophobicContact CD2-CE2 4.1Å; F542-F546 AromaticContact CE1-CD2 3.47Å; F542-F546 HydrophobicContact CE1-CD2 3.47Å; F542-F546 VanDerWaalsContact CE1-CD2 3.47Å; F542-F546 AromaticContact CE1-CE2 3.8Å; F542-F546 HydrophobicContact CE1-CE2 3.8Å; F542-F546 HydrophobicContact CE1-CG 4.29Å; F542-F546 AromaticContact CE2-CD2 3.94Å; F542-F546 HydrophobicContact CE2-CD2 3.94Å; F542-F546 AromaticContact CE2-CE2 3.47Å; F542-F546 HydrophobicContact CE2-CE2 3.47Å; F542-F546 VanDerWaalsContact CE2-CE2 3.47Å; F542-F546 HydrophobicContact CE2-CZ 4.46Å; F542-F546 HydrophobicContact CG-CD2 4.25Å; F542-F546 AromaticContact CZ-CD2 3.51Å; F542-F546 HydrophobicContact CZ-CD2 3.51Å; F542-F546 AromaticContact CZ-CE2 3.28Å; F542-F546 HydrophobicContact CZ-CE2 3.28Å; F542-F546 HydrophobicContact CZ-CZ 4.14Å; F542-F546 PolarHBondContact O-N 3.12Å; F542-L583 HydrophobicContact CD1-CD1 4.37Å; F542-L583 HydrophobicContact CE1-CD1 4.48Å; F542-L583 HydrophobicContact CE1-CD2 4.06Å; F542-F619 HydrophobicContact CE2-CB 4.08Å; F542-F619 HydrophobicContact CZ-CB 4.13Å; F542-G620 VanDerWaalsContact CZ-CA 3.47Å; F542-T623 HydrophobicContact CD2-CG2 4.06Å; F542-T623 HydrophobicContact CE2-CG2 4.29Å |
| 543 | I | 88.5 | Confident | 83.7 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57 | -47.2 | 178 | -60.1 | 165.1 | 0 | 0 | 0 | 110.1 | L539 F540 I545 F546 A547 L576 V579 F580 L583 | L539-I543 HydrophobicContact CD1-CD1 4.24Å; L539-I543 HydrophobicContact CD1-CG1 4.39Å; L539-I543 HydrophobicContact CG-CD1 3.95Å; L539-I543 WeakPolarHBondContact O-CG1 3.27Å; L539-I543 PolarHBondContact O-N 2.91Å; F540-I543 PolarHBondContact O-N 3.09Å; I543-I545 VanDerWaalsContact C-N 3.33Å; I543-I545 PolarHBondContact O-N 2.92Å; I543-F546 PolarHBondContact O-N 2.86Å; I543-A547 VanDerWaalsContact O-CB 3.23Å; I543-A547 WeakPolarHBondContact O-CB 3.42Å; I543-A547 PolarHBondContact O-N 2.97Å; I543-L576 HydrophobicContact CG2-CD1 3.61Å; I543-L576 HydrophobicContact CG2-CG 4.04Å; I543-V579 HydrophobicContact CG2-CB 4.4Å; I543-V579 HydrophobicContact CG2-CG1 4.07Å; I543-F580 HydrophobicContact CD1-CD2 4.26Å; I543-L583 HydrophobicContact CD1-CD1 4.27Å; I543-L583 HydrophobicContact CG1-CD1 3.52Å |
| 544 | L | 88.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 12% | 0.12 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 178.9 | -179.3 | 151.5 | 0 | 0 | 0 | 112.6 | P100 F540 F542 L548 | P100-L544 HydrophobicContact CB-CD2 3.81Å; P100-L544 HydrophobicContact CG-CD2 3.8Å; F540-L544 HydrophobicContact CE1-CD1 3.99Å; F540-L544 HydrophobicContact CZ-CD1 4.26Å; F540-L544 VanDerWaalsContact O-CB 3.24Å; F540-L544 WeakPolarHBondContact O-CB 3.46Å; F540-L544 PolarHBondContact O-N 3.32Å; F542-L544 VanDerWaalsContact C-N 3.32Å; F542-L544 PolarHBondContact O-N 3.42Å; L544-L548 HydrophobicContact CD2-CD1 3.77Å; L544-L548 HydrophobicContact CG-CD1 4.32Å; L544-L548 WeakPolarHBondContact O-CB 3.11Å; L544-L548 VanDerWaalsContact O-CG 3.29Å; L544-L548 WeakPolarHBondContact O-CG 3.23Å; L544-L548 PolarHBondContact O-N 3.18Å; L544-L548 VanDerWaalsContact O-N 3.16Å |
| 545 | I | 88.3 | Confident | 85.1 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 13% | 0.133 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -45.9 | 176.9 | -72.4 | 166.8 | 0 | 0 | 0 | 110.5 | V97 P100 L101 L541 F542 I543 L549 | V97-I545 HydrophobicContact CG1-CG2 4.36Å; V97-I545 WeakPolarHBondContact CG1-O 3.28Å; P100-I545 HydrophobicContact CB-CG1 4.09Å; P100-I545 HydrophobicContact CG-CG1 4.28Å; L101-I545 HydrophobicContact CB-CD1 4.28Å; L101-I545 HydrophobicContact CD1-CD1 4.41Å; L541-I545 HydrophobicContact CD1-CD1 4.28Å; L541-I545 HydrophobicContact CG-CD1 4.17Å; L541-I545 WeakPolarHBondContact O-CD1 3.39Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.32Å; L541-I545 PolarHBondContact O-N 3.38Å; L541-I545 VanDerWaalsContact O-N 3.12Å; F542-I545 PolarHBondContact O-N 3.1Å; I543-I545 VanDerWaalsContact C-N 3.33Å; I543-I545 PolarHBondContact O-N 2.92Å; I545-L549 WeakPolarHBondContact O-CB 3.07Å; I545-L549 PolarHBondContact O-N 2.91Å |
| 546 | F | 90.8 | Very high | 85.8 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -75.3 | -30.2 | -178.6 | -82.5 | -81.7 | 0 | 0 | 0 | 113.9 | F542 I543 L549 G550 V579 Y612 V616 | F542-F546 AromaticContact CD1-CD2 3.88Å; F542-F546 HydrophobicContact CD1-CD2 3.88Å; F542-F546 HydrophobicContact CD1-CE2 4.4Å; F542-F546 HydrophobicContact CD2-CD2 4.28Å; F542-F546 HydrophobicContact CD2-CE2 4.1Å; F542-F546 AromaticContact CE1-CD2 3.47Å; F542-F546 HydrophobicContact CE1-CD2 3.47Å; F542-F546 VanDerWaalsContact CE1-CD2 3.47Å; F542-F546 AromaticContact CE1-CE2 3.8Å; F542-F546 HydrophobicContact CE1-CE2 3.8Å; F542-F546 HydrophobicContact CE1-CG 4.29Å; F542-F546 AromaticContact CE2-CD2 3.94Å; F542-F546 HydrophobicContact CE2-CD2 3.94Å; F542-F546 AromaticContact CE2-CE2 3.47Å; F542-F546 HydrophobicContact CE2-CE2 3.47Å; F542-F546 VanDerWaalsContact CE2-CE2 3.47Å; F542-F546 HydrophobicContact CE2-CZ 4.46Å; F542-F546 HydrophobicContact CG-CD2 4.25Å; F542-F546 AromaticContact CZ-CD2 3.51Å; F542-F546 HydrophobicContact CZ-CD2 3.51Å; F542-F546 AromaticContact CZ-CE2 3.28Å; F542-F546 HydrophobicContact CZ-CE2 3.28Å; F542-F546 HydrophobicContact CZ-CZ 4.14Å; F542-F546 PolarHBondContact O-N 3.12Å; I543-F546 PolarHBondContact O-N 2.86Å; F546-L549 HydrophobicContact CD1-CD2 4.18Å; F546-L549 HydrophobicContact CE1-CD2 4.24Å; F546-L549 PolarHBondContact O-N 3.44Å; F546-G550 PolarHBondContact O-N 2.89Å; F546-V579 HydrophobicContact CB-CG1 3.92Å; F546-V579 HydrophobicContact CB-CG2 4.45Å; F546-Y612 HydrophobicContact CD1-CD2 4.48Å; F546-Y612 AromaticContact CD1-CE2 3.93Å; F546-Y612 HydrophobicContact CD1-CE2 3.93Å; F546-Y612 PolarHBondContact O-OH 3.45Å; F546-V616 HydrophobicContact CB-CG2 4.23Å; F546-V616 HydrophobicContact CD1-CG2 3.36Å; F546-V616 HydrophobicContact CE1-CG2 3.84Å; F546-V616 HydrophobicContact CG-CG2 3.9Å |
| 547 | A | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66 | -49.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I543 L549 G550 M551 A575 L576 V579 | I543-A547 VanDerWaalsContact O-CB 3.23Å; I543-A547 WeakPolarHBondContact O-CB 3.42Å; I543-A547 PolarHBondContact O-N 2.97Å; A547-L549 PolarHBondContact O-N 3.39Å; A547-G550 PolarHBondContact O-N 3.19Å; A547-G550 VanDerWaalsContact O-N 3.15Å; A547-M551 WeakPolarHBondContact O-CG 3.48Å; A547-M551 PolarHBondContact O-N 3.2Å; A547-A575 HydrophobicContact CB-CB 4.14Å; A547-L576 HydrophobicContact CB-CD1 4.4Å; A547-V579 HydrophobicContact CB-CG2 4.23Å |
| 548 | L | 89.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -32 | 174 | -70.5 | 176.7 | 0 | 0 | 0 | 112.3 | L13 A14 V97 P100 L544 M551 Q552 F572 | L13-L548 HydrophobicContact CB-CD1 4.24Å; L13-L548 HydrophobicContact CB-CD2 4.12Å; A14-L548 HydrophobicContact CB-CD2 4.31Å; V97-L548 HydrophobicContact CG1-CB 3.59Å; V97-L548 HydrophobicContact CG2-CB 4.17Å; P100-L548 HydrophobicContact CG-CD1 4.46Å; L544-L548 HydrophobicContact CD2-CD1 3.77Å; L544-L548 HydrophobicContact CG-CD1 4.32Å; L544-L548 WeakPolarHBondContact O-CB 3.11Å; L544-L548 VanDerWaalsContact O-CG 3.29Å; L544-L548 WeakPolarHBondContact O-CG 3.23Å; L544-L548 PolarHBondContact O-N 3.18Å; L544-L548 VanDerWaalsContact O-N 3.16Å; L548-M551 HydrophobicContact CD2-SD 4.01Å; L548-Q552 WeakPolarHBondContact O-CG 2.63Å; L548-Q552 PolarHBondContact O-N 3.02Å; L548-F572 HydrophobicContact CD2-CD2 3.9Å; L548-F572 HydrophobicContact CD2-CE2 4.17Å; L548-F572 HydrophobicContact CG-CD2 4.48Å; L548-F572 HydrophobicContact CG-CE2 4.33Å |
| 549 | L | 88.8 | Confident | 87.2 | Confident | 41 Ų | 41 | 24.2 Ų | 24.2 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.7 | -38.9 | 175.1 | -178.3 | 60.3 | 0 | 0 | 0 | 111.5 | A94 V97 I545 F546 A547 Q552 L553 Y612 | A94-L549 HydrophobicContact CB-CD1 3.86Å; V97-L549 HydrophobicContact CG1-CB 4.11Å; I545-L549 WeakPolarHBondContact O-CB 3.07Å; I545-L549 PolarHBondContact O-N 2.91Å; F546-L549 HydrophobicContact CD1-CD2 4.18Å; F546-L549 HydrophobicContact CE1-CD2 4.24Å; F546-L549 PolarHBondContact O-N 3.44Å; A547-L549 PolarHBondContact O-N 3.39Å; L549-Q552 PolarHBondContact O-N 2.86Å; L549-L553 HydrophobicContact CD1-CD1 3.94Å; L549-L553 HydrophobicContact CD1-CG 4.24Å; L549-L553 HydrophobicContact CG-CD1 3.88Å; L549-L553 WeakPolarHBondContact O-CB 3.44Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 3.11Å; L549-Y612 HydrophobicContact CB-CE2 4.26Å; L549-Y612 HydrophobicContact CD2-CD2 4.12Å; L549-Y612 HydrophobicContact CD2-CE2 4.03Å; L549-Y612 HydrophobicContact CG-CD2 4.28Å; L549-Y612 HydrophobicContact CG-CE2 3.96Å |
| 550 | G | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F546 A547 Q552 L553 F554 | F546-G550 PolarHBondContact O-N 2.89Å; A547-G550 PolarHBondContact O-N 3.19Å; A547-G550 VanDerWaalsContact O-N 3.15Å; G550-Q552 VanDerWaalsContact C-N 3.28Å; G550-Q552 PolarHBondContact O-N 3.24Å; G550-L553 PolarHBondContact O-N 2.93Å; G550-L553 VanDerWaalsContact O-N 3.11Å; G550-F554 PolarHBondContact O-N 2.97Å |
| 551 | M | 89.1 | Confident | 87 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55 | -42.9 | 172.8 | -66.5 | 173.5 | 69.8 | 0 | 0 | 112.2 | E16 A547 L548 L553 G555 F569 F572 A575 | E16-M551 VanDerWaalsContact O-CE 3.3Å; E16-M551 WeakPolarHBondContact O-CE 3.22Å; A547-M551 WeakPolarHBondContact O-CG 3.48Å; A547-M551 PolarHBondContact O-N 3.2Å; L548-M551 HydrophobicContact CD2-SD 4.01Å; M551-L553 VanDerWaalsContact C-N 3.29Å; M551-L553 PolarHBondContact O-N 3.1Å; M551-G555 WeakPolarHBondContact O-CA 3.13Å; M551-G555 PolarHBondContact O-N 3.44Å; M551-F569 WeakPolarHBondContact CG-O 3.29Å; M551-F572 HydrophobicContact CE-CB 4.22Å; M551-F572 HydrophobicContact SD-CB 3.97Å; M551-F572 HydrophobicContact SD-CD2 4.15Å; M551-A575 HydrophobicContact CG-CB 3.62Å; M551-A575 HydrophobicContact SD-CB 4.17Å |
| 552 | Q | 85.7 | Confident | 86.4 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.5 | -3.4 | -178.6 | -59.4 | -90.4 | -44 | 0 | 0 | 114 | E16 H18 A94 V97 L548 L549 G550 | E16-Q552 PolarHBondContact OE2-NE2 2.93Å; H18-Q552 PolarHBondContact CE1-NE2 3.13Å; A94-Q552 HydrophobicContact CB-CB 4.38Å; V97-Q552 HydrophobicContact CG2-CG 3.99Å; L548-Q552 WeakPolarHBondContact O-CG 2.63Å; L548-Q552 PolarHBondContact O-N 3.02Å; L549-Q552 PolarHBondContact O-N 2.86Å; G550-Q552 VanDerWaalsContact C-N 3.28Å; G550-Q552 PolarHBondContact O-N 3.24Å |
| 553 | L | 86 | Confident | 85.9 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -118.1 | -22.6 | 179.6 | -70.8 | 177 | 0 | 0 | 0 | 114.1 | L549 G550 M551 Q599 Y609 Y612 | L549-L553 HydrophobicContact CD1-CD1 3.94Å; L549-L553 HydrophobicContact CD1-CG 4.24Å; L549-L553 HydrophobicContact CG-CD1 3.88Å; L549-L553 WeakPolarHBondContact O-CB 3.44Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 3.11Å; G550-L553 PolarHBondContact O-N 2.93Å; G550-L553 VanDerWaalsContact O-N 3.11Å; M551-L553 VanDerWaalsContact C-N 3.29Å; M551-L553 PolarHBondContact O-N 3.1Å; L553-Q599 PolarHBondContact O-NE2 2.69Å; L553-Y609 HydrophobicContact CD2-CE1 4.44Å; L553-Y612 HydrophobicContact CD1-CD2 3.84Å; L553-Y612 HydrophobicContact CD1-CE2 4.37Å; L553-Y612 HydrophobicContact CD1-CG 4.48Å |
| 554 | F | 89.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -143.9 | -5.7 | -171.8 | -53.8 | -66.9 | 0 | 0 | 0 | 114.3 | G550 G556 D557 F558 F569 Q599 Y609 Y612 F613 | G550-F554 PolarHBondContact O-N 2.97Å; F554-G556 PolarHBondContact O-N 2.69Å; F554-D557 PolarHBondContact O-N 2.8Å; F554-F558 HydrophobicContact CB-CD1 4.21Å; F554-F558 HydrophobicContact CB-CE1 3.7Å; F554-F558 HydrophobicContact CB-CZ 4.21Å; F554-F558 AromaticContact CD1-CE1 3.93Å; F554-F558 HydrophobicContact CD1-CE1 3.93Å; F554-F558 HydrophobicContact CG-CE1 4.01Å; F554-F558 HydrophobicContact CG-CZ 4.36Å; F554-F569 HydrophobicContact CB-CB 4.14Å; F554-F569 HydrophobicContact CB-CD2 3.81Å; F554-F569 HydrophobicContact CB-CG 4.18Å; F554-F569 HydrophobicContact CD2-CD2 4.11Å; F554-F569 HydrophobicContact CD2-CE2 4.13Å; F554-F569 HydrophobicContact CG-CD2 4.31Å; F554-Q599 HydrophobicContact CD1-CG 4.36Å; F554-Q599 HydrophobicContact CE1-CG 4.16Å; F554-Y609 HydrophobicContact CE1-CD1 4.02Å; F554-Y609 HydrophobicContact CE1-CG 4.35Å; F554-Y609 HydrophobicContact CZ-CD1 4.19Å; F554-Y612 AromaticContact CE2-CD1 3.69Å; F554-Y612 HydrophobicContact CE2-CD1 3.69Å; F554-Y612 AromaticContact CE2-CE1 3.99Å; F554-Y612 HydrophobicContact CE2-CE1 3.99Å; F554-Y612 AromaticContact CE2-CG 4Å; F554-Y612 HydrophobicContact CE2-CG 4Å; F554-Y612 HydrophobicContact CZ-CD1 4.34Å; F554-Y612 HydrophobicContact CZ-CG 4.5Å; F554-F613 HydrophobicContact CD2-CZ 4.42Å; F554-F613 HydrophobicContact CE1-CE2 4.31Å; F554-F613 HydrophobicContact CE1-CZ 4.45Å; F554-F613 HydrophobicContact CE2-CE2 4.01Å; F554-F613 AromaticContact CE2-CZ 3.75Å; F554-F613 HydrophobicContact CE2-CZ 3.75Å; F554-F613 AromaticContact CZ-CE2 3.6Å; F554-F613 HydrophobicContact CZ-CE2 3.6Å; F554-F613 AromaticContact CZ-CZ 3.76Å; F554-F613 HydrophobicContact CZ-CZ 3.76Å |
| 555 | G | 86.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 122.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H18 M551 D557 F569 | H18-G555 WeakPolarHBondContact CB-O 3.29Å; M551-G555 WeakPolarHBondContact O-CA 3.13Å; M551-G555 PolarHBondContact O-N 3.44Å; G555-D557 VanDerWaalsContact C-N 3.25Å; G555-D557 PolarHBondContact O-N 3.48Å; G555-F569 WeakPolarHBondContact CA-O 3.17Å |
| 556 | G | 84 | Confident | 85 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -16.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P20 F554 D570 | P20-G556 WeakPolarHBondContact CA-O 3.42Å; P20-G556 WeakPolarHBondContact CB-O 3.4Å; F554-G556 PolarHBondContact O-N 2.69Å; G556-D570 PolarHBondContact N-OD1 2.75Å |
| 557 | D | 86.5 | Confident | 84.7 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.5 | -179.9 | -69.8 | -23.8 | 0 | 0 | 0 | 113 | F554 G555 N559 A598 Q599 | F554-D557 PolarHBondContact O-N 2.8Å; G555-D557 VanDerWaalsContact C-N 3.25Å; G555-D557 PolarHBondContact O-N 3.48Å; D557-N559 PolarHBondContact O-N 3.46Å; D557-A598 HydrophobicContact CB-CB 4.26Å; D557-Q599 PolarHBondContact OD2-NE2 3.17Å |
| 558 | F | 88.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | trans | -81.4 | 59.2 | -179 | -78.9 | 22.7 | 0 | 0 | 0 | 111.8 | F554 P565 N568 F569 V591 N594 A598 | F554-F558 HydrophobicContact CB-CD1 4.21Å; F554-F558 HydrophobicContact CB-CE1 3.7Å; F554-F558 HydrophobicContact CB-CZ 4.21Å; F554-F558 AromaticContact CD1-CE1 3.93Å; F554-F558 HydrophobicContact CD1-CE1 3.93Å; F554-F558 HydrophobicContact CG-CE1 4.01Å; F554-F558 HydrophobicContact CG-CZ 4.36Å; F558-P565 HydrophobicContact CB-CG 4.11Å; F558-P565 HydrophobicContact CD2-CG 3.79Å; F558-P565 HydrophobicContact CG-CG 4.34Å; F558-N568 HydrophobicContact CB-CB 4.42Å; F558-N568 HydrophobicContact CD2-CB 3.97Å; F558-F569 AromaticContact CE2-CD2 3.95Å; F558-F569 HydrophobicContact CE2-CD2 3.95Å; F558-F569 HydrophobicContact CE2-CE2 4.14Å; F558-F569 HydrophobicContact CZ-CD2 4Å; F558-F569 HydrophobicContact CZ-CE2 4.11Å; F558-V591 HydrophobicContact CE2-CG1 4.49Å; F558-N594 HydrophobicContact CE2-CB 4.15Å; F558-N594 HydrophobicContact CZ-CB 4.26Å; F558-A598 HydrophobicContact CD1-CB 3.79Å; F558-A598 HydrophobicContact CE1-CB 3.95Å | ||
| 559 | N | 86.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | trans | -127.2 | 84.2 | -174.5 | -170.6 | 97 | 0 | 0 | 0 | 110.9 | D557 R564 | D557-N559 PolarHBondContact O-N 3.46Å; N559-R564 PolarHBondContact OD1-NE 2.68Å; N559-R564 PolarHBondContact OD1-NH2 3.49Å; N559-R564 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 560 | F | 85 | Confident | 84.7 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -97.4 | 165.6 | -178.2 | -46.5 | -58.1 | 0 | 0 | 0 | 112.1 | E562 G563 P565 N594 R597 A598 | F560-E562 VanDerWaalsContact C-N 3.27Å; F560-E562 PolarHBondContact O-N 2.87Å; F560-G563 PolarHBondContact N-O 2.75Å; F560-G563 WeakPolarHBondContact O-CA 3.49Å; F560-G563 PolarHBondContact O-N 2.66Å; F560-P565 HydrophobicContact CE2-CG 4.21Å; F560-N594 HydrophobicContact CE2-CB 4.21Å; F560-N594 WeakPolarHBondContact CE2-OD1 3.33Å; F560-N594 HydrophobicContact CZ-CB 4.3Å; F560-R597 HydrophobicContact CD1-CG 4.27Å; F560-R597 HydrophobicContact CE1-CB 4.16Å; F560-R597 HydrophobicContact CE1-CG 3.78Å; F560-R597 HydrophobicContact CZ-CB 4.26Å; F560-R597 HydrophobicContact CZ-CG 4.27Å; F560-A598 HydrophobicContact CE1-CB 4.18Å; F560-A598 HydrophobicContact CZ-CB 4.23Å |
| 561 | D | 77.1 | Confident | 84.6 | Confident | 145 Ų | 145 | 42.6 Ų | 42.6 | 78% | 0.775 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -28.2 | 178.7 | -52.7 | -64.6 | 0 | 0 | 0 | 113 | G563 H2143 | D561-G563 PolarHBondContact O-N 3.08Å; D561-H2143 PolarHBondContact O-CE1 3.29Å; D561-H2143 PolarHBondContact O-NE2 2.99Å |
| 562 | E | 70.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 44.6 Ų | 44.6 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.2 | 169.1 | -69.6 | 139.4 | -129.9 | 0 | 0 | 113.2 | F560 R597 | F560-E562 VanDerWaalsContact C-N 3.27Å; F560-E562 PolarHBondContact O-N 2.87Å; E562-R597 VanDerWaalsContact CD-NH1 3.3Å; E562-R597 IonicContact OE1-CZ 2.99Å; E562-R597 IonicContact OE1-NH1 2.75Å; E562-R597 PolarHBondContact OE1-NH1 3.11Å; E562-R597 VanDerWaalsContact OE1-NH1 3.11Å; E562-R597 IonicContact OE1-NH2 3.36Å; E562-R597 PolarHBondContact OE1-NH2 3.15Å; E562-R597 IonicContact OE2-CZ 2.61Å; E562-R597 IonicContact OE2-NH1 3.34Å; E562-R597 PolarHBondContact OE2-NH1 2.07Å; E562-R597 IonicContact OE2-NH2 3.11Å |
| 563 | G | 75 | Confident | 84.7 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | 107 | -165 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F560 D561 | F560-G563 PolarHBondContact N-O 2.75Å; F560-G563 WeakPolarHBondContact O-CA 3.49Å; F560-G563 PolarHBondContact O-N 2.66Å; D561-G563 PolarHBondContact O-N 3.08Å |
| 564 | R | 81.4 | Confident | 84.9 | Confident | 153 Ų | 153 | 46.9 Ų | 46.9 | 58% | 0.577 | 25% | 0.246 | S | C | * | . | trans | -99.9 | 127.4 | 179.6 | -62.2 | -175.1 | -175.6 | 151.3 | 4.7 | 110.1 | N559 | N559-R564 PolarHBondContact OD1-NE 2.68Å; N559-R564 PolarHBondContact OD1-NH2 3.49Å; N559-R564 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 565 | P | 83.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | trans | -64.2 | 147.2 | 174.7 | 29.1 | -35.6 | 0 | 0 | 0 | 110.5 | F558 F560 Q567 | F558-P565 HydrophobicContact CB-CG 4.11Å; F558-P565 HydrophobicContact CD2-CG 3.79Å; F558-P565 HydrophobicContact CG-CG 4.34Å; F560-P565 HydrophobicContact CE2-CG 4.21Å; P565-Q567 VanDerWaalsContact C-N 3.29Å; P565-Q567 PolarHBondContact O-N 2.85Å | ||
| 566 | T | 80.5 | Confident | 85.1 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -70.9 | -25.7 | 179.7 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | N568 K1017 | T566-N568 PolarHBondContact O-N 2.98Å; T566-K1017 HydrophobicContact CG2-CD 4.14Å |
| 567 | Q | 86.4 | Confident | 85.3 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -87.4 | 98.8 | 170.4 | -65.2 | 156.8 | 3.5 | 0 | 0 | 108.1 | P565 T578 D587 V591 | P565-Q567 VanDerWaalsContact C-N 3.29Å; P565-Q567 PolarHBondContact O-N 2.85Å; Q567-T578 HydrophobicContact CB-CG2 4.28Å; Q567-D587 PolarHBondContact NE2-OD2 3.1Å; Q567-V591 HydrophobicContact CB-CG2 4.17Å; Q567-V591 VanDerWaalsContact OE1-CG2 3.3Å |
| 568 | N | 88.9 | Confident | 85.5 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -144.6 | 174.5 | -176 | 85 | 23.6 | 0 | 0 | 0 | 113.8 | F558 T566 D570 K574 A575 T578 | F558-N568 HydrophobicContact CB-CB 4.42Å; F558-N568 HydrophobicContact CD2-CB 3.97Å; T566-N568 PolarHBondContact O-N 2.98Å; N568-D570 VanDerWaalsContact CG-OD2 3.28Å; N568-D570 PolarHBondContact ND2-OD2 2.81Å; N568-D570 PolarHBondContact OD1-N 3.37Å; N568-D570 PolarHBondContact OD1-OD2 2.97Å; N568-K574 CarbonylContact O-C 3.47Å; N568-K574 WeakPolarHBondContact OD1-CD 3.4Å; N568-A575 PolarHBondContact O-N 2.9Å; N568-T578 PolarHBondContact N-OG1 2.83Å; N568-T578 PolarHBondContact O-OG1 2.94Å; N568-T578 VanDerWaalsContact O-OG1 3.07Å | ||
| 569 | F | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -117.2 | 14.6 | -173 | -66.3 | -84.4 | 0 | 0 | 0 | 113.8 | M551 F554 G555 F558 T571 A575 T578 V579 I582 V591 Y612 F613 | M551-F569 WeakPolarHBondContact CG-O 3.29Å; F554-F569 HydrophobicContact CB-CB 4.14Å; F554-F569 HydrophobicContact CB-CD2 3.81Å; F554-F569 HydrophobicContact CB-CG 4.18Å; F554-F569 HydrophobicContact CD2-CD2 4.11Å; F554-F569 HydrophobicContact CD2-CE2 4.13Å; F554-F569 HydrophobicContact CG-CD2 4.31Å; G555-F569 WeakPolarHBondContact CA-O 3.17Å; F558-F569 AromaticContact CE2-CD2 3.95Å; F558-F569 HydrophobicContact CE2-CD2 3.95Å; F558-F569 HydrophobicContact CE2-CE2 4.14Å; F558-F569 HydrophobicContact CZ-CD2 4Å; F558-F569 HydrophobicContact CZ-CE2 4.11Å; F569-T571 VanDerWaalsContact C-N 3.34Å; F569-T571 PolarHBondContact O-N 3.37Å; F569-A575 HydrophobicContact CD1-CB 3.93Å; F569-T578 HydrophobicContact CE1-CG2 4.19Å; F569-T578 HydrophobicContact CE2-CG2 3.88Å; F569-T578 HydrophobicContact CZ-CG2 3.63Å; F569-V579 HydrophobicContact CE1-CG2 3.91Å; F569-I582 HydrophobicContact CZ-CD1 4.24Å; F569-V591 HydrophobicContact CE2-CG1 4.01Å; F569-V591 HydrophobicContact CZ-CG1 4.42Å; F569-Y612 HydrophobicContact CZ-CE1 4.24Å; F569-F613 HydrophobicContact CE2-CE1 4.44Å; F569-F613 HydrophobicContact CZ-CE1 4.41Å | ||
| 570 | D | 88.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -69.9 | -32.3 | -172.1 | -52.4 | -23.4 | 0 | 0 | 0 | 112.9 | G556 N568 | G556-D570 PolarHBondContact N-OD1 2.75Å; N568-D570 VanDerWaalsContact CG-OD2 3.28Å; N568-D570 PolarHBondContact ND2-OD2 2.81Å; N568-D570 PolarHBondContact OD1-N 3.37Å; N568-D570 PolarHBondContact OD1-OD2 2.97Å |
| 571 | T | 87.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 28% | 0.282 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -130.5 | 150.6 | -176.1 | 66.8 | 0 | 0 | 0 | 0 | 110.9 | F569 V573 K574 A575 | F569-T571 VanDerWaalsContact C-N 3.34Å; F569-T571 PolarHBondContact O-N 3.37Å; T571-V573 VanDerWaalsContact C-N 3.3Å; T571-V573 PolarHBondContact O-N 3.17Å; T571-K574 PolarHBondContact O-N 3.34Å; T571-A575 WeakPolarHBondContact O-CB 2.96Å; T571-A575 PolarHBondContact O-N 3.3Å |
| 572 | F | 89.2 | Confident | 86.4 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 20% | 0.197 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -37.5 | -177 | 175.8 | -103.9 | 0 | 0 | 0 | 113.8 | A14 L548 M551 L576 | A14-F572 HydrophobicContact CB-CB 4.31Å; A14-F572 HydrophobicContact CB-CD1 4.09Å; A14-F572 HydrophobicContact CB-CD2 3.71Å; A14-F572 HydrophobicContact CB-CE1 4.35Å; A14-F572 HydrophobicContact CB-CE2 3.99Å; A14-F572 HydrophobicContact CB-CG 3.76Å; A14-F572 HydrophobicContact CB-CZ 4.31Å; A14-F572 VanDerWaalsContact O-CB 3.28Å; A14-F572 WeakPolarHBondContact O-CB 3.37Å; L548-F572 HydrophobicContact CD2-CD2 3.9Å; L548-F572 HydrophobicContact CD2-CE2 4.17Å; L548-F572 HydrophobicContact CG-CD2 4.48Å; L548-F572 HydrophobicContact CG-CE2 4.33Å; M551-F572 HydrophobicContact CE-CB 4.22Å; M551-F572 HydrophobicContact SD-CB 3.97Å; M551-F572 HydrophobicContact SD-CD2 4.15Å; F572-L576 HydrophobicContact CE2-CD1 4.45Å; F572-L576 HydrophobicContact CZ-CD1 4.09Å; F572-L576 VanDerWaalsContact O-CB 3.26Å; F572-L576 WeakPolarHBondContact O-CB 3.44Å; F572-L576 PolarHBondContact O-N 3.2Å |
| 573 | V | 88.1 | Confident | 87.1 | Confident | 62 Ų | 62 | 31.3 Ų | 31.3 | 38% | 0.376 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69 | -44.9 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | T571 L576 L577 | T571-V573 VanDerWaalsContact C-N 3.3Å; T571-V573 PolarHBondContact O-N 3.17Å; V573-L576 PolarHBondContact O-N 3.06Å; V573-L577 HydrophobicContact CG1-CD1 4.4Å; V573-L577 WeakPolarHBondContact O-CG 3.42Å; V573-L577 PolarHBondContact O-N 3.14Å; V573-L577 VanDerWaalsContact O-N 3.08Å |
| 574 | K | 88.3 | Confident | 87.5 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 17% | 0.174 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 175.6 | -68.6 | -168.2 | 177.1 | -169.5 | 0 | 112.2 | N568 T571 L576 L577 T578 D1032 | N568-K574 CarbonylContact O-C 3.47Å; N568-K574 WeakPolarHBondContact OD1-CD 3.4Å; T571-K574 PolarHBondContact O-N 3.34Å; K574-L576 VanDerWaalsContact C-N 3.32Å; K574-L576 PolarHBondContact O-N 2.76Å; K574-L577 PolarHBondContact O-N 3.48Å; K574-T578 WeakPolarHBondContact O-CB 3.3Å; K574-T578 PolarHBondContact O-N 3.1Å; K574-T578 PolarHBondContact O-OG1 3.4Å; K574-D1032 WeakPolarHBondContact CE-OD1 3.42Å; K574-D1032 VanDerWaalsContact CE-OD2 3.25Å; K574-D1032 WeakPolarHBondContact CE-OD2 3.41Å; K574-D1032 IonicContact NZ-OD1 2.73Å; K574-D1032 PolarHBondContact NZ-OD1 3.02Å; K574-D1032 IonicContact NZ-OD2 2.73Å; K574-D1032 PolarHBondContact NZ-OD2 2.99Å |
| 575 | A | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A547 M551 N568 F569 T571 V579 | A547-A575 HydrophobicContact CB-CB 4.14Å; M551-A575 HydrophobicContact CG-CB 3.62Å; M551-A575 HydrophobicContact SD-CB 4.17Å; N568-A575 PolarHBondContact O-N 2.9Å; F569-A575 HydrophobicContact CD1-CB 3.93Å; T571-A575 WeakPolarHBondContact O-CB 2.96Å; T571-A575 PolarHBondContact O-N 3.3Å; A575-V579 WeakPolarHBondContact O-CB 3.48Å; A575-V579 WeakPolarHBondContact O-CG2 3.03Å; A575-V579 PolarHBondContact O-N 3.47Å |
| 576 | L | 90.2 | Very high | 87.2 | Confident | 42 Ų | 42 | 22.7 Ų | 22.7 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.8 | -164.5 | 85.3 | 0 | 0 | 0 | 111.7 | F540 I543 A547 F572 V573 K574 F580 | F540-L576 HydrophobicContact CE2-CD1 4.42Å; I543-L576 HydrophobicContact CG2-CD1 3.61Å; I543-L576 HydrophobicContact CG2-CG 4.04Å; A547-L576 HydrophobicContact CB-CD1 4.4Å; F572-L576 HydrophobicContact CE2-CD1 4.45Å; F572-L576 HydrophobicContact CZ-CD1 4.09Å; F572-L576 VanDerWaalsContact O-CB 3.26Å; F572-L576 WeakPolarHBondContact O-CB 3.44Å; F572-L576 PolarHBondContact O-N 3.2Å; V573-L576 PolarHBondContact O-N 3.06Å; K574-L576 VanDerWaalsContact C-N 3.32Å; K574-L576 PolarHBondContact O-N 2.76Å; L576-F580 VanDerWaalsContact O-CB 3.32Å; L576-F580 WeakPolarHBondContact O-CB 3.27Å; L576-F580 PolarHBondContact O-N 3.26Å |
| 577 | L | 88 | Confident | 87.3 | Confident | 29 Ų | 29 | 19.7 Ų | 19.7 | 15% | 0.152 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.1 | -42.2 | 177.6 | -67.1 | 174.2 | 0 | 0 | 0 | 112.1 | V573 K574 V579 F580 Q581 I1020 A1038 V1042 | V573-L577 HydrophobicContact CG1-CD1 4.4Å; V573-L577 WeakPolarHBondContact O-CG 3.42Å; V573-L577 PolarHBondContact O-N 3.14Å; V573-L577 VanDerWaalsContact O-N 3.08Å; K574-L577 PolarHBondContact O-N 3.48Å; L577-V579 PolarHBondContact O-N 3.42Å; L577-F580 CarbonylContact O-C 3.31Å; L577-F580 WeakPolarHBondContact O-CA 3.24Å; L577-F580 WeakPolarHBondContact O-CB 3.4Å; L577-F580 PolarHBondContact O-N 3.08Å; L577-F580 VanDerWaalsContact O-N 3.12Å; L577-Q581 PolarHBondContact O-N 3.41Å; L577-I1020 HydrophobicContact CD1-CD1 4.14Å; L577-A1038 HydrophobicContact CD1-CB 3.93Å; L577-A1038 HydrophobicContact CD2-CB 3.96Å; L577-V1042 HydrophobicContact CD2-CG2 4.17Å |
| 578 | T | 89.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | Q567 N568 F569 K574 Q581 I582 V591 | Q567-T578 HydrophobicContact CB-CG2 4.28Å; N568-T578 PolarHBondContact N-OG1 2.83Å; N568-T578 PolarHBondContact O-OG1 2.94Å; N568-T578 VanDerWaalsContact O-OG1 3.07Å; F569-T578 HydrophobicContact CE1-CG2 4.19Å; F569-T578 HydrophobicContact CE2-CG2 3.88Å; F569-T578 HydrophobicContact CZ-CG2 3.63Å; K574-T578 WeakPolarHBondContact O-CB 3.3Å; K574-T578 PolarHBondContact O-N 3.1Å; K574-T578 PolarHBondContact O-OG1 3.4Å; T578-Q581 PolarHBondContact O-N 3.02Å; T578-I582 HydrophobicContact CG2-CD1 4.26Å; T578-I582 VanDerWaalsContact O-CG1 3.31Å; T578-I582 WeakPolarHBondContact O-CG1 3.28Å; T578-I582 PolarHBondContact O-N 2.85Å; T578-V591 HydrophobicContact CG2-CG1 3.81Å; T578-V591 HydrophobicContact CG2-CG2 4.35Å |
| 579 | V | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -34.4 | 172.9 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | I543 F546 A547 F569 A575 L577 Q581 L583 V616 | I543-V579 HydrophobicContact CG2-CB 4.4Å; I543-V579 HydrophobicContact CG2-CG1 4.07Å; F546-V579 HydrophobicContact CB-CG1 3.92Å; F546-V579 HydrophobicContact CB-CG2 4.45Å; A547-V579 HydrophobicContact CB-CG2 4.23Å; F569-V579 HydrophobicContact CE1-CG2 3.91Å; A575-V579 WeakPolarHBondContact O-CB 3.48Å; A575-V579 WeakPolarHBondContact O-CG2 3.03Å; A575-V579 PolarHBondContact O-N 3.47Å; L577-V579 PolarHBondContact O-N 3.42Å; V579-Q581 VanDerWaalsContact C-N 3.31Å; V579-Q581 PolarHBondContact O-N 2.89Å; V579-L583 HydrophobicContact CG1-CD1 4.04Å; V579-L583 WeakPolarHBondContact O-CB 3.31Å; V579-L583 WeakPolarHBondContact O-CD1 3.19Å; V579-L583 WeakPolarHBondContact O-CG 3.18Å; V579-L583 PolarHBondContact O-N 3.31Å; V579-L583 VanDerWaalsContact O-N 3.09Å; V579-V616 HydrophobicContact CG1-CG1 4.4Å |
| 580 | F | 87.4 | Confident | 87.3 | Confident | 29 Ų | 29 | 20.1 Ų | 20.1 | 13% | 0.127 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 172.8 | -177.7 | -95.3 | 0 | 0 | 0 | 112.2 | I543 L576 L577 L583 T584 V1042 F1045 | I543-F580 HydrophobicContact CD1-CD2 4.26Å; L576-F580 VanDerWaalsContact O-CB 3.32Å; L576-F580 WeakPolarHBondContact O-CB 3.27Å; L576-F580 PolarHBondContact O-N 3.26Å; L577-F580 CarbonylContact O-C 3.31Å; L577-F580 WeakPolarHBondContact O-CA 3.24Å; L577-F580 WeakPolarHBondContact O-CB 3.4Å; L577-F580 PolarHBondContact O-N 3.08Å; L577-F580 VanDerWaalsContact O-N 3.12Å; F580-L583 CarbonylContact O-C 3.51Å; F580-L583 WeakPolarHBondContact O-CA 3.29Å; F580-L583 WeakPolarHBondContact O-CB 3.26Å; F580-L583 PolarHBondContact O-N 3.19Å; F580-T584 HydrophobicContact CE1-CG2 4.09Å; F580-T584 HydrophobicContact CZ-CG2 4.48Å; F580-T584 PolarHBondContact O-N 2.91Å; F580-V1042 HydrophobicContact CD1-CG2 4.36Å; F580-V1042 HydrophobicContact CE1-CG2 4.25Å; F580-V1042 HydrophobicContact CE2-CG1 4.3Å; F580-V1042 HydrophobicContact CZ-CG1 4.46Å; F580-V1042 HydrophobicContact CZ-CG2 4.43Å; F580-F1045 HydrophobicContact CE1-CB 4.2Å; F580-F1045 AromaticContact CE1-CD2 3.85Å; F580-F1045 HydrophobicContact CE1-CD2 3.85Å; F580-F1045 HydrophobicContact CE1-CG 4.19Å; F580-F1045 HydrophobicContact CZ-CB 3.72Å; F580-F1045 HydrophobicContact CZ-CD2 4.22Å; F580-F1045 HydrophobicContact CZ-CG 4.21Å |
| 581 | Q | 87 | Confident | 87.5 | Confident | 19 Ų | 19 | 19 Ų | 19 | 9% | 0.089 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.2 | -156.4 | -164.2 | -63.5 | 0 | 0 | 112.6 | L577 T578 V579 L583 T584 G585 E586 Y2133 | L577-Q581 PolarHBondContact O-N 3.41Å; T578-Q581 PolarHBondContact O-N 3.02Å; V579-Q581 VanDerWaalsContact C-N 3.31Å; V579-Q581 PolarHBondContact O-N 2.89Å; Q581-L583 PolarHBondContact O-N 2.79Å; Q581-L583 VanDerWaalsContact O-N 3.11Å; Q581-T584 PolarHBondContact O-N 3.49Å; Q581-T584 PolarHBondContact O-OG1 2.97Å; Q581-G585 PolarHBondContact O-N 3.39Å; Q581-G585 VanDerWaalsContact O-N 3.11Å; Q581-E586 HydrophobicContact CG-CB 4.42Å; Q581-E586 PolarHBondContact NE2-O 3.45Å; Q581-E586 PolarHBondContact O-N 3.35Å; Q581-Y2133 HydrophobicContact CG-CE2 4.25Å |
| 582 | I | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -25.4 | 169.7 | -62.3 | 159.4 | 0 | 0 | 0 | 110.9 | F569 T578 G585 W588 V591 F613 V616 | F569-I582 HydrophobicContact CZ-CD1 4.24Å; T578-I582 HydrophobicContact CG2-CD1 4.26Å; T578-I582 VanDerWaalsContact O-CG1 3.31Å; T578-I582 WeakPolarHBondContact O-CG1 3.28Å; T578-I582 PolarHBondContact O-N 2.85Å; I582-G585 PolarHBondContact O-N 2.93Å; I582-W588 HydrophobicContact CB-CB 4.4Å; I582-W588 HydrophobicContact CG1-CB 4.29Å; I582-W588 HydrophobicContact CG2-CB 4.17Å; I582-V591 HydrophobicContact CD1-CG1 4.21Å; I582-V591 HydrophobicContact CG1-CG2 4.44Å; I582-F613 HydrophobicContact CD1-CD1 3.88Å; I582-F613 HydrophobicContact CD1-CE1 3.99Å; I582-V616 HydrophobicContact CB-CG1 4.15Å; I582-V616 HydrophobicContact CG2-CB 3.89Å; I582-V616 HydrophobicContact CG2-CG1 3.48Å; I582-V616 VanDerWaalsContact CG2-CG1 3.48Å |
| 583 | L | 86.8 | Confident | 87.8 | Confident | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -87.2 | -19.9 | 175.8 | -71.4 | 170.1 | 0 | 0 | 0 | 115.1 | F542 I543 V579 F580 Q581 V616 L624 | F542-L583 HydrophobicContact CD1-CD1 4.37Å; F542-L583 HydrophobicContact CE1-CD1 4.48Å; F542-L583 HydrophobicContact CE1-CD2 4.06Å; I543-L583 HydrophobicContact CD1-CD1 4.27Å; I543-L583 HydrophobicContact CG1-CD1 3.52Å; V579-L583 HydrophobicContact CG1-CD1 4.04Å; V579-L583 WeakPolarHBondContact O-CB 3.31Å; V579-L583 WeakPolarHBondContact O-CD1 3.19Å; V579-L583 WeakPolarHBondContact O-CG 3.18Å; V579-L583 PolarHBondContact O-N 3.31Å; V579-L583 VanDerWaalsContact O-N 3.09Å; F580-L583 CarbonylContact O-C 3.51Å; F580-L583 WeakPolarHBondContact O-CA 3.29Å; F580-L583 WeakPolarHBondContact O-CB 3.26Å; F580-L583 PolarHBondContact O-N 3.19Å; Q581-L583 PolarHBondContact O-N 2.79Å; Q581-L583 VanDerWaalsContact O-N 3.11Å; L583-V616 HydrophobicContact CD2-CG1 4.1Å; L583-V616 HydrophobicContact CG-CG1 4.21Å; L583-L624 HydrophobicContact CB-CD1 4.21Å; L583-L624 HydrophobicContact CD2-CD1 4.43Å; L583-L624 WeakPolarHBondContact O-CD1 3.39Å |
| 584 | T | 82.6 | Confident | 88 | Confident | 11 Ų | 11 | 13 Ų | 13 | 7% | 0.067 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -74.4 | -19.4 | 162.3 | 54.7 | 0 | 0 | 0 | 0 | 111 | F580 Q581 E586 F2130 | F580-T584 HydrophobicContact CE1-CG2 4.09Å; F580-T584 HydrophobicContact CZ-CG2 4.48Å; F580-T584 PolarHBondContact O-N 2.91Å; Q581-T584 PolarHBondContact O-N 3.49Å; Q581-T584 PolarHBondContact O-OG1 2.97Å; T584-E586 WeakPolarHBondContact OG1-CB 2.96Å; T584-E586 PolarHBondContact OG1-OE2 3.19Å; T584-F2130 HydrophobicContact CG2-CD1 4.26Å; T584-F2130 HydrophobicContact CG2-CE1 3.92Å; T584-F2130 VanDerWaalsContact O-CD1 3.22Å; T584-F2130 WeakPolarHBondContact O-CD1 3.35Å; T584-F2130 WeakPolarHBondContact O-CE1 3.49Å; T584-F2130 WeakPolarHBondContact O-CG 3.4Å |
| 585 | G | 78.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 11.1 Ų | 11.1 | 10% | 0.103 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 20.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q581 I582 W588 | Q581-G585 PolarHBondContact O-N 3.39Å; Q581-G585 VanDerWaalsContact O-N 3.11Å; I582-G585 PolarHBondContact O-N 2.93Å; G585-W588 VanDerWaalsContact O-CD1 3.28Å |
| 586 | E | 78.7 | Confident | 88.1 | Confident | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -112.2 | 126.3 | -168 | -171.5 | -165.5 | 176.8 | 0 | 0 | 109.7 | Q581 T584 W588 G1013 E1014 P2131 Y2133 | Q581-E586 HydrophobicContact CG-CB 4.42Å; Q581-E586 PolarHBondContact NE2-O 3.45Å; Q581-E586 PolarHBondContact O-N 3.35Å; T584-E586 WeakPolarHBondContact OG1-CB 2.96Å; T584-E586 PolarHBondContact OG1-OE2 3.19Å; E586-W588 PolarHBondContact O-N 3.05Å; E586-G1013 VanDerWaalsContact OE1-C 3.22Å; E586-G1013 WeakPolarHBondContact OE1-CA 3.45Å; E586-E1014 PolarHBondContact OE1-N 2.96Å; E586-P2131 HydrophobicContact CG-CG 3.63Å; E586-P2131 WeakPolarHBondContact OE1-CG 3.35Å; E586-Y2133 VanDerWaalsContact CD-CD2 3.48Å; E586-Y2133 HydrophobicContact CG-CD2 3.59Å; E586-Y2133 HydrophobicContact CG-CE2 4.24Å; E586-Y2133 HydrophobicContact CG-CG 4.3Å; E586-Y2133 WeakPolarHBondContact OE1-CD2 3.3Å; E586-Y2133 WeakPolarHBondContact OE1-CE2 3.03Å |
| 587 | D | 83.3 | Confident | 88 | Confident | 16 Ų | 16 | 12 Ų | 12 | 9% | 0.086 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 57.5 | 11.2 | -175.2 | -132.6 | 1.8 | 0 | 0 | 0 | 114.8 | E233 Q567 N589 T590 V591 Y2133 | E233-D587 PolarHBondContact OE1-N 2.71Å; Q567-D587 PolarHBondContact NE2-OD2 3.1Å; D587-N589 WeakPolarHBondContact CA-OD1 3.07Å; D587-N589 PolarHBondContact O-N 3.11Å; D587-N589 VanDerWaalsContact O-N 3.17Å; D587-N589 PolarHBondContact O-OD1 3.01Å; D587-T590 WeakPolarHBondContact O-CA 3.47Å; D587-T590 WeakPolarHBondContact O-CB 3.07Å; D587-T590 PolarHBondContact O-N 3.43Å; D587-T590 WeakPolarHBondContact OD1-CB 3.23Å; D587-T590 PolarHBondContact OD1-OG1 2.74Å; D587-V591 PolarHBondContact O-N 3.48Å; D587-Y2133 HydrophobicContact CB-CD2 3.89Å; D587-Y2133 HydrophobicContact CB-CG 4.18Å |
| 588 | W | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.3 | -26.9 | -171.9 | 76.6 | -86.7 | 0 | 0 | 0 | 112.4 | F227 Q228 T231 I582 G585 E586 M592 F613 | F227-W588 AromaticContact CD1-CH2 3.79Å; F227-W588 HydrophobicContact CD1-CH2 3.79Å; F227-W588 HydrophobicContact CD1-CZ2 4.34Å; F227-W588 AromaticContact CE1-CH2 3.6Å; F227-W588 HydrophobicContact CE1-CH2 3.6Å; F227-W588 HydrophobicContact CE1-CZ2 4.06Å; F227-W588 HydrophobicContact CE1-CZ3 4.27Å; Q228-W588 HydrophobicContact CB-CH2 4.45Å; Q228-W588 HydrophobicContact CB-CZ2 4.28Å; Q228-W588 HydrophobicContact CG-CZ2 4.31Å; T231-W588 HydrophobicContact CG2-CZ2 3.83Å; T231-W588 WeakPolarHBondContact OG1-CZ2 3.05Å; T231-W588 PolarHBondContact OG1-NE1 3.46Å; I582-W588 HydrophobicContact CB-CB 4.4Å; I582-W588 HydrophobicContact CG1-CB 4.29Å; I582-W588 HydrophobicContact CG2-CB 4.17Å; G585-W588 VanDerWaalsContact O-CD1 3.28Å; E586-W588 PolarHBondContact O-N 3.05Å; W588-M592 HydrophobicContact CZ3-CE 4.2Å; W588-M592 HydrophobicContact CZ3-SD 3.83Å; W588-M592 WeakPolarHBondContact O-CB 3.27Å; W588-M592 PolarHBondContact O-N 3.44Å; W588-F613 HydrophobicContact CE3-CB 4.38Å |
| 589 | N | 90 | Very high | 87.9 | Confident | 6 Ų | 6 | 13.7 Ų | 13.7 | 3% | 0.032 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 168.2 | 57.9 | -36.7 | 0 | 0 | 0 | 111.2 | Q228 E233 D587 M592 Y593 | Q228-N589 HydrophobicContact CG-CB 4.4Å; Q228-N589 PolarHBondContact NE2-ND2 2.79Å; E233-N589 WeakPolarHBondContact CG-OD1 3.45Å; D587-N589 WeakPolarHBondContact CA-OD1 3.07Å; D587-N589 PolarHBondContact O-N 3.11Å; D587-N589 VanDerWaalsContact O-N 3.17Å; D587-N589 PolarHBondContact O-OD1 3.01Å; N589-M592 CarbonylContact O-C 3.6Å; N589-M592 WeakPolarHBondContact O-CB 3.24Å; N589-M592 PolarHBondContact O-N 3.45Å; N589-M592 VanDerWaalsContact O-N 3.15Å; N589-Y593 HydrophobicContact CB-CE1 4.42Å; N589-Y593 HydrophobicContact CB-CE2 4.39Å; N589-Y593 VanDerWaalsContact O-CD1 3.25Å; N589-Y593 WeakPolarHBondContact O-CD1 3.23Å; N589-Y593 WeakPolarHBondContact O-CD2 3.16Å; N589-Y593 PolarHBondContact O-N 3.15Å |
| 590 | T | 88.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 15.5 Ų | 15.5 | 18% | 0.184 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.5 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | D587 M592 Y593 N594 | D587-T590 WeakPolarHBondContact O-CA 3.47Å; D587-T590 WeakPolarHBondContact O-CB 3.07Å; D587-T590 PolarHBondContact O-N 3.43Å; D587-T590 WeakPolarHBondContact OD1-CB 3.23Å; D587-T590 PolarHBondContact OD1-OG1 2.74Å; T590-M592 VanDerWaalsContact C-N 3.32Å; T590-M592 PolarHBondContact O-N 3.18Å; T590-Y593 PolarHBondContact O-N 2.73Å; T590-N594 PolarHBondContact O-N 2.81Å; T590-N594 VanDerWaalsContact O-N 3.09Å; T590-N594 PolarHBondContact O-ND2 2.99Å; T590-N594 VanDerWaalsContact O-ND2 3.09Å |
| 591 | V | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 172.9 | -164.8 | 0 | 0 | 0 | 0 | 111.2 | F558 Q567 F569 T578 I582 D587 N594 G595 F613 | F558-V591 HydrophobicContact CE2-CG1 4.49Å; Q567-V591 HydrophobicContact CB-CG2 4.17Å; Q567-V591 VanDerWaalsContact OE1-CG2 3.3Å; F569-V591 HydrophobicContact CE2-CG1 4.01Å; F569-V591 HydrophobicContact CZ-CG1 4.42Å; T578-V591 HydrophobicContact CG2-CG1 3.81Å; T578-V591 HydrophobicContact CG2-CG2 4.35Å; I582-V591 HydrophobicContact CD1-CG1 4.21Å; I582-V591 HydrophobicContact CG1-CG2 4.44Å; D587-V591 PolarHBondContact O-N 3.48Å; V591-N594 PolarHBondContact O-N 3.02Å; V591-G595 PolarHBondContact O-N 3Å; V591-F613 HydrophobicContact CB-CE1 4.23Å; V591-F613 HydrophobicContact CG1-CE1 3.7Å; V591-F613 HydrophobicContact CG1-CZ 4.38Å |
| 592 | M | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.9 | 179.5 | -175 | 68.1 | 0 | 0 | 112.2 | L224 W588 N589 T590 G595 I596 F613 | L224-M592 HydrophobicContact CD1-CE 4.27Å; L224-M592 HydrophobicContact CD1-SD 3.93Å; L224-M592 HydrophobicContact CD2-CE 4.09Å; L224-M592 HydrophobicContact CD2-SD 4.21Å; L224-M592 HydrophobicContact CG-CE 4.22Å; L224-M592 HydrophobicContact CG-SD 4.42Å; W588-M592 HydrophobicContact CZ3-CE 4.2Å; W588-M592 HydrophobicContact CZ3-SD 3.83Å; W588-M592 WeakPolarHBondContact O-CB 3.27Å; W588-M592 PolarHBondContact O-N 3.44Å; N589-M592 CarbonylContact O-C 3.6Å; N589-M592 WeakPolarHBondContact O-CB 3.24Å; N589-M592 PolarHBondContact O-N 3.45Å; N589-M592 VanDerWaalsContact O-N 3.15Å; T590-M592 VanDerWaalsContact C-N 3.32Å; T590-M592 PolarHBondContact O-N 3.18Å; M592-G595 PolarHBondContact O-N 3.4Å; M592-I596 HydrophobicContact CG-CD1 3.86Å; M592-I596 WeakPolarHBondContact O-CG1 3.14Å; M592-I596 PolarHBondContact O-N 3.37Å; M592-I596 HydrophobicContact SD-CD1 4.49Å; M592-F613 HydrophobicContact CB-CB 4.07Å; M592-F613 HydrophobicContact CB-CD1 4.32Å; M592-F613 HydrophobicContact CB-CD2 3.92Å; M592-F613 HydrophobicContact CB-CE2 4.49Å; M592-F613 HydrophobicContact CB-CG 3.82Å; M592-F613 HydrophobicContact CG-CB 4.16Å; M592-F613 HydrophobicContact CG-CD2 3.81Å; M592-F613 HydrophobicContact CG-CG 4.08Å |
| 593 | Y | 91.7 | Very high | 86.2 | Confident | 9 Ų | 9 | 21.8 Ų | 21.8 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.2 | -56.7 | -25.7 | 0 | 0 | 0 | 110.9 | N210 I213 T214 Q228 N589 T590 G595 I596 R597 | N210-Y593 HydrophobicContact CB-CD1 4.41Å; N210-Y593 HydrophobicContact CB-CD2 3.91Å; N210-Y593 HydrophobicContact CB-CE1 4.27Å; N210-Y593 HydrophobicContact CB-CE2 3.74Å; N210-Y593 HydrophobicContact CB-CG 4.25Å; N210-Y593 VanDerWaalsContact CG-CE2 3.41Å; I213-Y593 HydrophobicContact CB-CD1 4.28Å; I213-Y593 HydrophobicContact CD1-CD1 4.05Å; I213-Y593 HydrophobicContact CD1-CG 4.35Å; I213-Y593 HydrophobicContact CG2-CD1 3.98Å; I213-Y593 HydrophobicContact CG2-CE1 4.2Å; T214-Y593 HydrophobicContact CG2-CE1 3.96Å; T214-Y593 WeakPolarHBondContact CG2-OH 3.3Å; Q228-Y593 PolarHBondContact NE2-OH 3.19Å; Q228-Y593 PolarHBondContact OE1-OH 3.48Å; N589-Y593 HydrophobicContact CB-CE1 4.42Å; N589-Y593 HydrophobicContact CB-CE2 4.39Å; N589-Y593 VanDerWaalsContact O-CD1 3.25Å; N589-Y593 WeakPolarHBondContact O-CD1 3.23Å; N589-Y593 WeakPolarHBondContact O-CD2 3.16Å; N589-Y593 PolarHBondContact O-N 3.15Å; T590-Y593 PolarHBondContact O-N 2.73Å; Y593-G595 VanDerWaalsContact C-N 3.34Å; Y593-G595 PolarHBondContact O-N 3.34Å; Y593-I596 PolarHBondContact O-N 2.89Å; Y593-R597 WeakPolarHBondContact O-CB 3.29Å; Y593-R597 PolarHBondContact O-N 3.17Å |
| 594 | N | 90.8 | Very high | 85.7 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 174 | -73.4 | -44.1 | 0 | 0 | 0 | 112.1 | F558 F560 T590 V591 I596 R597 A598 | F558-N594 HydrophobicContact CE2-CB 4.15Å; F558-N594 HydrophobicContact CZ-CB 4.26Å; F560-N594 HydrophobicContact CE2-CB 4.21Å; F560-N594 WeakPolarHBondContact CE2-OD1 3.33Å; F560-N594 HydrophobicContact CZ-CB 4.3Å; T590-N594 PolarHBondContact O-N 2.81Å; T590-N594 VanDerWaalsContact O-N 3.09Å; T590-N594 PolarHBondContact O-ND2 2.99Å; T590-N594 VanDerWaalsContact O-ND2 3.09Å; V591-N594 PolarHBondContact O-N 3.02Å; N594-I596 PolarHBondContact O-N 3.27Å; N594-R597 PolarHBondContact O-N 3.27Å; N594-A598 WeakPolarHBondContact O-CB 3.33Å; N594-A598 PolarHBondContact O-N 3.41Å |
| 595 | G | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V591 M592 Y593 Q599 | V591-G595 PolarHBondContact O-N 3Å; M592-G595 PolarHBondContact O-N 3.4Å; Y593-G595 VanDerWaalsContact C-N 3.34Å; Y593-G595 PolarHBondContact O-N 3.34Å; G595-Q599 PolarHBondContact O-N 3.35Å |
| 596 | I | 91.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.5 | -42.4 | 175.4 | -66.7 | 162.2 | 0 | 0 | 0 | 110.6 | I213 M592 Y593 N594 Q599 G601 | I213-I596 HydrophobicContact CD1-CB 3.79Å; I213-I596 HydrophobicContact CD1-CD1 4.02Å; I213-I596 HydrophobicContact CD1-CG2 3.73Å; I213-I596 HydrophobicContact CG1-CD1 4.4Å; I213-I596 HydrophobicContact CG1-CG2 4.03Å; I213-I596 HydrophobicContact CG2-CD1 3.8Å; M592-I596 HydrophobicContact CG-CD1 3.86Å; M592-I596 WeakPolarHBondContact O-CG1 3.14Å; M592-I596 PolarHBondContact O-N 3.37Å; M592-I596 HydrophobicContact SD-CD1 4.49Å; Y593-I596 PolarHBondContact O-N 2.89Å; N594-I596 PolarHBondContact O-N 3.27Å; I596-Q599 PolarHBondContact O-N 2.95Å; I596-G601 VanDerWaalsContact O-CA 3.3Å; I596-G601 WeakPolarHBondContact O-CA 3.49Å; I596-G601 PolarHBondContact O-N 3.29Å |
| 597 | R | 89.7 | Confident | 86 | Confident | 57 Ų | 57 | 27.3 Ų | 27.3 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 177.2 | -173.4 | -179.2 | -179.7 | -175.9 | 1 | 111.5 | Y211 F560 E562 Y593 N594 Q599 G600 | Y211-R597 PolarHBondContact OH-NH1 3.33Å; F560-R597 HydrophobicContact CD1-CG 4.27Å; F560-R597 HydrophobicContact CE1-CB 4.16Å; F560-R597 HydrophobicContact CE1-CG 3.78Å; F560-R597 HydrophobicContact CZ-CB 4.26Å; F560-R597 HydrophobicContact CZ-CG 4.27Å; E562-R597 VanDerWaalsContact CD-NH1 3.3Å; E562-R597 IonicContact OE1-CZ 2.99Å; E562-R597 IonicContact OE1-NH1 2.75Å; E562-R597 PolarHBondContact OE1-NH1 3.11Å; E562-R597 VanDerWaalsContact OE1-NH1 3.11Å; E562-R597 IonicContact OE1-NH2 3.36Å; E562-R597 PolarHBondContact OE1-NH2 3.15Å; E562-R597 IonicContact OE2-CZ 2.61Å; E562-R597 IonicContact OE2-NH1 3.34Å; E562-R597 PolarHBondContact OE2-NH1 2.07Å; E562-R597 IonicContact OE2-NH2 3.11Å; Y593-R597 WeakPolarHBondContact O-CB 3.29Å; Y593-R597 PolarHBondContact O-N 3.17Å; N594-R597 PolarHBondContact O-N 3.27Å; R597-Q599 VanDerWaalsContact C-N 3.3Å; R597-Q599 PolarHBondContact O-N 2.87Å; R597-G600 PolarHBondContact O-N 3.34Å |
| 598 | A | 87.9 | Confident | 86.2 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D557 F558 F560 N594 G600 | D557-A598 HydrophobicContact CB-CB 4.26Å; F558-A598 HydrophobicContact CD1-CB 3.79Å; F558-A598 HydrophobicContact CE1-CB 3.95Å; F560-A598 HydrophobicContact CE1-CB 4.18Å; F560-A598 HydrophobicContact CZ-CB 4.23Å; N594-A598 WeakPolarHBondContact O-CB 3.33Å; N594-A598 PolarHBondContact O-N 3.41Å; A598-G600 PolarHBondContact O-N 3Å |
| 599 | Q | 87.4 | Confident | 86.1 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 32.2 | -179.9 | -64.5 | -65.3 | -32.7 | 0 | 0 | 113.4 | L553 F554 D557 G595 I596 R597 G606 Y609 | L553-Q599 PolarHBondContact O-NE2 2.69Å; F554-Q599 HydrophobicContact CD1-CG 4.36Å; F554-Q599 HydrophobicContact CE1-CG 4.16Å; D557-Q599 PolarHBondContact OD2-NE2 3.17Å; G595-Q599 PolarHBondContact O-N 3.35Å; I596-Q599 PolarHBondContact O-N 2.95Å; R597-Q599 VanDerWaalsContact C-N 3.3Å; R597-Q599 PolarHBondContact O-N 2.87Å; Q599-G606 VanDerWaalsContact O-CA 3.24Å; Q599-G606 WeakPolarHBondContact O-CA 3.35Å; Q599-Y609 HydrophobicContact CB-CD2 3.55Å; Q599-Y609 HydrophobicContact CB-CE2 3.58Å; Q599-Y609 HydrophobicContact CB-CG 4.16Å; Q599-Y609 HydrophobicContact CG-CD1 4.03Å; Q599-Y609 HydrophobicContact CG-CD2 3.7Å; Q599-Y609 HydrophobicContact CG-CE1 4.03Å; Q599-Y609 HydrophobicContact CG-CE2 3.67Å; Q599-Y609 HydrophobicContact CG-CG 3.86Å; Q599-Y609 VanDerWaalsContact OE1-CZ 3.3Å; Q599-Y609 PolarHBondContact OE1-OH 3.47Å; Q599-Y609 VanDerWaalsContact OE1-OH 3.06Å |
| 600 | G | 80.3 | Confident | 86.1 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 11.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R597 A598 S604 | R597-G600 PolarHBondContact O-N 3.34Å; A598-G600 PolarHBondContact O-N 3Å; G600-S604 WeakPolarHBondContact O-CB 3.16Å; G600-S604 PolarHBondContact O-N 3.18Å; G600-S604 PolarHBondContact O-OG 3.16Å |
| 601 | G | 83.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -164 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116 | I596 T603 G606 | I596-G601 VanDerWaalsContact O-CA 3.3Å; I596-G601 WeakPolarHBondContact O-CA 3.49Å; I596-G601 PolarHBondContact O-N 3.29Å; G601-T603 VanDerWaalsContact C-N 3.33Å; G601-T603 PolarHBondContact O-N 3.17Å; G601-G606 WeakPolarHBondContact O-CA 3.49Å; G601-G606 PolarHBondContact O-N 3.27Å |
| 602 | V | 80.5 | Confident | 86.3 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33.4 | -173.9 | 176.4 | 0 | 0 | 0 | 0 | 112.5 | Y211 I213 Y221 | Y211-V602 WeakPolarHBondContact O-CG2 3.47Å; I213-V602 HydrophobicContact CG1-CG2 3.68Å; Y221-V602 HydrophobicContact CE2-CG1 3.78Å; Y221-V602 WeakPolarHBondContact OH-CG1 3.42Å; Y221-V602 PolarHBondContact OH-O 2.88Å |
| 603 | T | 74.6 | Confident | 86.3 | Confident | 122 Ų | 122 | 40.3 Ų | 40.3 | 75% | 0.748 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -35.3 | -174.4 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | G601 G605 | G601-T603 VanDerWaalsContact C-N 3.33Å; G601-T603 PolarHBondContact O-N 3.17Å; T603-G605 VanDerWaalsContact C-N 3.34Å; T603-G605 PolarHBondContact O-N 3.13Å |
| 604 | S | 77.2 | Confident | 86.2 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.2 | -174.8 | -43.9 | 0 | 0 | 0 | 0 | 114.5 | G600 | G600-S604 WeakPolarHBondContact O-CB 3.16Å; G600-S604 PolarHBondContact O-N 3.18Å; G600-S604 PolarHBondContact O-OG 3.16Å |
| 605 | G | 79.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T603 A607 I608 | T603-G605 VanDerWaalsContact C-N 3.34Å; T603-G605 PolarHBondContact O-N 3.13Å; G605-A607 PolarHBondContact O-N 3.15Å; G605-I608 PolarHBondContact O-N 3.44Å; G605-I608 VanDerWaalsContact O-N 3.13Å |
| 606 | G | 82.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.7 | -24.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q599 G601 I608 Y609 | Q599-G606 VanDerWaalsContact O-CA 3.24Å; Q599-G606 WeakPolarHBondContact O-CA 3.35Å; G601-G606 WeakPolarHBondContact O-CA 3.49Å; G601-G606 PolarHBondContact O-N 3.27Å; G606-I608 PolarHBondContact O-N 3.17Å; G606-Y609 WeakPolarHBondContact O-CB 3.31Å; G606-Y609 WeakPolarHBondContact O-CD2 3.36Å; G606-Y609 PolarHBondContact O-N 3.32Å |
| 607 | A | 83.6 | Confident | 86.2 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -52.3 | -26.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y221 G605 Y609 S610 | Y221-A607 HydrophobicContact CE1-CB 3.78Å; Y221-A607 WeakPolarHBondContact OH-CB 3.02Å; G605-A607 PolarHBondContact O-N 3.15Å; A607-Y609 PolarHBondContact O-N 3.43Å; A607-S610 VanDerWaalsContact O-CB 3.3Å; A607-S610 WeakPolarHBondContact O-CB 3.35Å; A607-S610 PolarHBondContact O-N 2.87Å; A607-S610 PolarHBondContact O-OG 2.96Å |
| 608 | I | 87.2 | Confident | 86 | Confident | 132 Ų | 132 | 45.6 Ų | 45.6 | 68% | 0.677 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -64.2 | -30.3 | 176.9 | -62.7 | 174.7 | 0 | 0 | 0 | 111.4 | G605 G606 S610 V611 | G605-I608 PolarHBondContact O-N 3.44Å; G605-I608 VanDerWaalsContact O-N 3.13Å; G606-I608 PolarHBondContact O-N 3.17Å; I608-S610 PolarHBondContact O-N 3.06Å; I608-V611 WeakPolarHBondContact O-CB 3.23Å; I608-V611 WeakPolarHBondContact O-CG2 3.15Å; I608-V611 PolarHBondContact O-N 3.21Å |
| 609 | Y | 88.3 | Confident | 85.9 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -71.4 | -15.8 | 180 | -67.1 | -94 | 0 | 0 | 0 | 113.4 | L553 F554 Q599 G606 A607 V611 Y612 | L553-Y609 HydrophobicContact CD2-CE1 4.44Å; F554-Y609 HydrophobicContact CE1-CD1 4.02Å; F554-Y609 HydrophobicContact CE1-CG 4.35Å; F554-Y609 HydrophobicContact CZ-CD1 4.19Å; Q599-Y609 HydrophobicContact CB-CD2 3.55Å; Q599-Y609 HydrophobicContact CB-CE2 3.58Å; Q599-Y609 HydrophobicContact CB-CG 4.16Å; Q599-Y609 HydrophobicContact CG-CD1 4.03Å; Q599-Y609 HydrophobicContact CG-CD2 3.7Å; Q599-Y609 HydrophobicContact CG-CE1 4.03Å; Q599-Y609 HydrophobicContact CG-CE2 3.67Å; Q599-Y609 HydrophobicContact CG-CG 3.86Å; Q599-Y609 VanDerWaalsContact OE1-CZ 3.3Å; Q599-Y609 PolarHBondContact OE1-OH 3.47Å; Q599-Y609 VanDerWaalsContact OE1-OH 3.06Å; G606-Y609 WeakPolarHBondContact O-CB 3.31Å; G606-Y609 WeakPolarHBondContact O-CD2 3.36Å; G606-Y609 PolarHBondContact O-N 3.32Å; A607-Y609 PolarHBondContact O-N 3.43Å; Y609-V611 PolarHBondContact O-N 3.24Å; Y609-V611 VanDerWaalsContact O-N 3.1Å; Y609-Y612 WeakPolarHBondContact O-CB 3.39Å; Y609-Y612 PolarHBondContact O-N 3.42Å |
| 610 | S | 89.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.3 | -31.3 | 169.5 | 65.5 | 0 | 0 | 0 | 0 | 112.7 | A607 I608 Y612 F613 V614 | A607-S610 VanDerWaalsContact O-CB 3.3Å; A607-S610 WeakPolarHBondContact O-CB 3.35Å; A607-S610 PolarHBondContact O-N 2.87Å; A607-S610 PolarHBondContact O-OG 2.96Å; I608-S610 PolarHBondContact O-N 3.06Å; S610-Y612 PolarHBondContact O-N 3.41Å; S610-F613 PolarHBondContact O-N 2.92Å; S610-F613 VanDerWaalsContact O-N 3.09Å; S610-V614 WeakPolarHBondContact O-CG2 3.28Å; S610-V614 PolarHBondContact O-N 3.46Å |
| 611 | V | 90.2 | Very high | 85.9 | Confident | 77 Ų | 77 | 47 Ų | 47 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -29.4 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | I608 Y609 L615 | I608-V611 WeakPolarHBondContact O-CB 3.23Å; I608-V611 WeakPolarHBondContact O-CG2 3.15Å; I608-V611 PolarHBondContact O-N 3.21Å; Y609-V611 PolarHBondContact O-N 3.24Å; Y609-V611 VanDerWaalsContact O-N 3.1Å; V611-L615 HydrophobicContact CG1-CD1 3.79Å; V611-L615 HydrophobicContact CG1-CG 4.11Å; V611-L615 VanDerWaalsContact O-CB 3.24Å; V611-L615 WeakPolarHBondContact O-CB 3.43Å; V611-L615 WeakPolarHBondContact O-CD1 3.45Å; V611-L615 WeakPolarHBondContact O-CG 3.44Å; V611-L615 PolarHBondContact O-N 2.89Å |
| 612 | Y | 92 | Very high | 85.9 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -52.4 | 172.3 | 169.5 | -90.5 | 0 | 0 | 0 | 110.7 | F546 L549 L553 F554 F569 Y609 S610 L615 V616 | F546-Y612 HydrophobicContact CD1-CD2 4.48Å; F546-Y612 AromaticContact CD1-CE2 3.93Å; F546-Y612 HydrophobicContact CD1-CE2 3.93Å; F546-Y612 PolarHBondContact O-OH 3.45Å; L549-Y612 HydrophobicContact CB-CE2 4.26Å; L549-Y612 HydrophobicContact CD2-CD2 4.12Å; L549-Y612 HydrophobicContact CD2-CE2 4.03Å; L549-Y612 HydrophobicContact CG-CD2 4.28Å; L549-Y612 HydrophobicContact CG-CE2 3.96Å; L553-Y612 HydrophobicContact CD1-CD2 3.84Å; L553-Y612 HydrophobicContact CD1-CE2 4.37Å; L553-Y612 HydrophobicContact CD1-CG 4.48Å; F554-Y612 AromaticContact CE2-CD1 3.69Å; F554-Y612 HydrophobicContact CE2-CD1 3.69Å; F554-Y612 AromaticContact CE2-CE1 3.99Å; F554-Y612 HydrophobicContact CE2-CE1 3.99Å; F554-Y612 AromaticContact CE2-CG 4Å; F554-Y612 HydrophobicContact CE2-CG 4Å; F554-Y612 HydrophobicContact CZ-CD1 4.34Å; F554-Y612 HydrophobicContact CZ-CG 4.5Å; F569-Y612 HydrophobicContact CZ-CE1 4.24Å; Y609-Y612 WeakPolarHBondContact O-CB 3.39Å; Y609-Y612 PolarHBondContact O-N 3.42Å; S610-Y612 PolarHBondContact O-N 3.41Å; Y612-L615 PolarHBondContact O-N 2.91Å; Y612-V616 HydrophobicContact CD1-CG2 4.36Å; Y612-V616 HydrophobicContact CE1-CG2 4Å; Y612-V616 HydrophobicContact CE2-CG2 4.29Å; Y612-V616 WeakPolarHBondContact O-CG2 3.46Å; Y612-V616 PolarHBondContact O-N 2.85Å |
| 613 | F | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | -177.6 | -59.3 | -80.1 | 0 | 0 | 0 | 111.7 | F554 F569 I582 W588 V591 M592 S610 L615 V616 M617 | F554-F613 HydrophobicContact CD2-CZ 4.42Å; F554-F613 HydrophobicContact CE1-CE2 4.31Å; F554-F613 HydrophobicContact CE1-CZ 4.45Å; F554-F613 HydrophobicContact CE2-CE2 4.01Å; F554-F613 AromaticContact CE2-CZ 3.75Å; F554-F613 HydrophobicContact CE2-CZ 3.75Å; F554-F613 AromaticContact CZ-CE2 3.6Å; F554-F613 HydrophobicContact CZ-CE2 3.6Å; F554-F613 AromaticContact CZ-CZ 3.76Å; F554-F613 HydrophobicContact CZ-CZ 3.76Å; F569-F613 HydrophobicContact CE2-CE1 4.44Å; F569-F613 HydrophobicContact CZ-CE1 4.41Å; I582-F613 HydrophobicContact CD1-CD1 3.88Å; I582-F613 HydrophobicContact CD1-CE1 3.99Å; W588-F613 HydrophobicContact CE3-CB 4.38Å; V591-F613 HydrophobicContact CB-CE1 4.23Å; V591-F613 HydrophobicContact CG1-CE1 3.7Å; V591-F613 HydrophobicContact CG1-CZ 4.38Å; M592-F613 HydrophobicContact CB-CB 4.07Å; M592-F613 HydrophobicContact CB-CD1 4.32Å; M592-F613 HydrophobicContact CB-CD2 3.92Å; M592-F613 HydrophobicContact CB-CE2 4.49Å; M592-F613 HydrophobicContact CB-CG 3.82Å; M592-F613 HydrophobicContact CG-CB 4.16Å; M592-F613 HydrophobicContact CG-CD2 3.81Å; M592-F613 HydrophobicContact CG-CG 4.08Å; S610-F613 PolarHBondContact O-N 2.92Å; S610-F613 VanDerWaalsContact O-N 3.09Å; F613-L615 VanDerWaalsContact C-N 3.32Å; F613-L615 PolarHBondContact O-N 3.45Å; F613-V616 PolarHBondContact O-N 3.18Å; F613-M617 WeakPolarHBondContact O-CB 3.25Å; F613-M617 PolarHBondContact O-N 3.26Å |
| 614 | V | 90.7 | Very high | 86 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L224 F227 S610 V618 | L224-V614 HydrophobicContact CD1-CG2 4.05Å; F227-V614 HydrophobicContact CD1-CG2 4.11Å; F227-V614 HydrophobicContact CE1-CB 4.36Å; F227-V614 HydrophobicContact CE1-CG1 4.07Å; F227-V614 HydrophobicContact CE1-CG2 3.9Å; F227-V614 HydrophobicContact CE2-CG1 4.44Å; F227-V614 HydrophobicContact CZ-CG1 4.01Å; S610-V614 WeakPolarHBondContact O-CG2 3.28Å; S610-V614 PolarHBondContact O-N 3.46Å; V614-V618 HydrophobicContact CG1-CG2 4.34Å; V614-V618 WeakPolarHBondContact O-CB 3.21Å; V614-V618 VanDerWaalsContact O-CG2 3.29Å; V614-V618 WeakPolarHBondContact O-CG2 3.29Å; V614-V618 PolarHBondContact O-N 3.02Å |
| 615 | L | 90.2 | Very high | 85.9 | Confident | 73 Ų | 73 | 38.4 Ų | 38.4 | 38% | 0.382 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.9 | -40.9 | 176.4 | -75 | 172 | 0 | 0 | 0 | 112.7 | V611 Y612 F613 F619 | V611-L615 HydrophobicContact CG1-CD1 3.79Å; V611-L615 HydrophobicContact CG1-CG 4.11Å; V611-L615 VanDerWaalsContact O-CB 3.24Å; V611-L615 WeakPolarHBondContact O-CB 3.43Å; V611-L615 WeakPolarHBondContact O-CD1 3.45Å; V611-L615 WeakPolarHBondContact O-CG 3.44Å; V611-L615 PolarHBondContact O-N 2.89Å; Y612-L615 PolarHBondContact O-N 2.91Å; F613-L615 VanDerWaalsContact C-N 3.32Å; F613-L615 PolarHBondContact O-N 3.45Å; L615-F619 HydrophobicContact CD2-CD2 3.75Å; L615-F619 HydrophobicContact CD2-CE2 3.58Å; L615-F619 WeakPolarHBondContact O-CB 3.29Å; L615-F619 PolarHBondContact O-N 3.24Å |
| 616 | V | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 173.1 | 179 | 0 | 0 | 0 | 0 | 109.6 | F546 V579 I582 L583 Y612 F613 V618 G620 | F546-V616 HydrophobicContact CB-CG2 4.23Å; F546-V616 HydrophobicContact CD1-CG2 3.36Å; F546-V616 HydrophobicContact CE1-CG2 3.84Å; F546-V616 HydrophobicContact CG-CG2 3.9Å; V579-V616 HydrophobicContact CG1-CG1 4.4Å; I582-V616 HydrophobicContact CB-CG1 4.15Å; I582-V616 HydrophobicContact CG2-CB 3.89Å; I582-V616 HydrophobicContact CG2-CG1 3.48Å; I582-V616 VanDerWaalsContact CG2-CG1 3.48Å; L583-V616 HydrophobicContact CD2-CG1 4.1Å; L583-V616 HydrophobicContact CG-CG1 4.21Å; Y612-V616 HydrophobicContact CD1-CG2 4.36Å; Y612-V616 HydrophobicContact CE1-CG2 4Å; Y612-V616 HydrophobicContact CE2-CG2 4.29Å; Y612-V616 WeakPolarHBondContact O-CG2 3.46Å; Y612-V616 PolarHBondContact O-N 2.85Å; F613-V616 PolarHBondContact O-N 3.18Å; V616-V618 PolarHBondContact O-N 2.98Å; V616-G620 WeakPolarHBondContact O-CA 3.41Å; V616-G620 PolarHBondContact O-N 2.85Å |
| 617 | M | 89.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | -177.5 | -171.9 | 55.9 | 170.3 | 0 | 0 | 111.9 | F227 T231 F613 N621 | F227-M617 HydrophobicContact CZ-CG 4.32Å; T231-M617 HydrophobicContact CG2-CE 3.72Å; T231-M617 HydrophobicContact CG2-CG 4.13Å; F613-M617 WeakPolarHBondContact O-CB 3.25Å; F613-M617 PolarHBondContact O-N 3.26Å; M617-N621 VanDerWaalsContact O-CB 3.3Å; M617-N621 WeakPolarHBondContact O-CB 3.34Å; M617-N621 PolarHBondContact O-N 3.47Å; M617-N621 PolarHBondContact O-ND2 2.8Å; M617-N621 PolarHBondContact SD-ND2 3.49Å |
| 618 | V | 86.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 36.6 Ų | 36.6 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.9 | -54.1 | -178.5 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | F227 V614 V616 Y622 | F227-V618 HydrophobicContact CE2-CG2 3.88Å; F227-V618 HydrophobicContact CZ-CG2 3.83Å; V614-V618 HydrophobicContact CG1-CG2 4.34Å; V614-V618 WeakPolarHBondContact O-CB 3.21Å; V614-V618 VanDerWaalsContact O-CG2 3.29Å; V614-V618 WeakPolarHBondContact O-CG2 3.29Å; V614-V618 PolarHBondContact O-N 3.02Å; V616-V618 PolarHBondContact O-N 2.98Å; V618-Y622 VanDerWaalsContact O-CB 3.23Å; V618-Y622 WeakPolarHBondContact O-CB 3.47Å; V618-Y622 PolarHBondContact O-N 3.42Å |
| 619 | F | 85.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 30.8 Ų | 30.8 | 40% | 0.399 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -74.6 | -30 | -177.6 | -77.7 | -77.4 | 0 | 0 | 0 | 112.5 | F542 L615 Y622 T623 | F542-F619 HydrophobicContact CE2-CB 4.08Å; F542-F619 HydrophobicContact CZ-CB 4.13Å; L615-F619 HydrophobicContact CD2-CD2 3.75Å; L615-F619 HydrophobicContact CD2-CE2 3.58Å; L615-F619 WeakPolarHBondContact O-CB 3.29Å; L615-F619 PolarHBondContact O-N 3.24Å; F619-Y622 WeakPolarHBondContact O-CB 3.32Å; F619-Y622 PolarHBondContact O-N 2.86Å; F619-T623 WeakPolarHBondContact O-CG2 3.25Å; F619-T623 PolarHBondContact O-N 2.83Å; F619-T623 PolarHBondContact O-OG1 2.85Å |
| 620 | G | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -59 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F542 V616 Y622 T623 L624 | F542-G620 VanDerWaalsContact CZ-CA 3.47Å; V616-G620 WeakPolarHBondContact O-CA 3.41Å; V616-G620 PolarHBondContact O-N 2.85Å; G620-Y622 PolarHBondContact O-N 3.11Å; G620-T623 WeakPolarHBondContact O-CA 3.33Å; G620-T623 PolarHBondContact O-N 3.47Å; G620-T623 PolarHBondContact O-OG1 3.37Å; G620-L624 PolarHBondContact O-N 3.17Å |
| 621 | N | 83.4 | Confident | 82.3 | Confident | 47 Ų | 47 | 27.1 Ų | 27.1 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.7 | -33.2 | 174.5 | -78.8 | -65.2 | 0 | 0 | 0 | 112.4 | M617 T623 L624 L625 | M617-N621 VanDerWaalsContact O-CB 3.3Å; M617-N621 WeakPolarHBondContact O-CB 3.34Å; M617-N621 PolarHBondContact O-N 3.47Å; M617-N621 PolarHBondContact O-ND2 2.8Å; M617-N621 PolarHBondContact SD-ND2 3.49Å; N621-T623 PolarHBondContact O-N 2.94Å; N621-L624 PolarHBondContact O-N 3.02Å; N621-L625 WeakPolarHBondContact O-CB 3.38Å; N621-L625 PolarHBondContact O-N 2.91Å |
| 622 | Y | 83.3 | Confident | 81.4 | Confident | 29 Ų | 29 | 23.9 Ų | 23.9 | 11% | 0.114 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 169.4 | 179.8 | -120.6 | 0 | 0 | 0 | 112.2 | I117 M121 L124 L274 V618 F619 G620 N626 | I117-Y622 HydrophobicContact CG2-CD1 4.43Å; I117-Y622 HydrophobicContact CG2-CE1 3.59Å; I117-Y622 PolarHBondContact O-OH 3.45Å; M121-Y622 WeakPolarHBondContact CA-OH 3.41Å; M121-Y622 HydrophobicContact CB-CE1 4.47Å; M121-Y622 WeakPolarHBondContact CB-OH 3.17Å; M121-Y622 HydrophobicContact CG-CE1 4.36Å; M121-Y622 PolarHBondContact N-OH 2.93Å; M121-Y622 VanDerWaalsContact N-OH 3.13Å; L124-Y622 HydrophobicContact CD1-CD2 4.02Å; L124-Y622 HydrophobicContact CD1-CE2 3.29Å; L274-Y622 HydrophobicContact CD1-CE2 4.32Å; L274-Y622 HydrophobicContact CD2-CE2 4.21Å; V618-Y622 VanDerWaalsContact O-CB 3.23Å; V618-Y622 WeakPolarHBondContact O-CB 3.47Å; V618-Y622 PolarHBondContact O-N 3.42Å; F619-Y622 WeakPolarHBondContact O-CB 3.32Å; F619-Y622 PolarHBondContact O-N 2.86Å; G620-Y622 PolarHBondContact O-N 3.11Å; Y622-N626 VanDerWaalsContact CD2-ND2 3.32Å; Y622-N626 WeakPolarHBondContact CD2-ND2 3.36Å; Y622-N626 WeakPolarHBondContact CE1-ND2 3.08Å; Y622-N626 WeakPolarHBondContact CE2-ND2 3.45Å; Y622-N626 PolarHBondContact O-N 3Å; Y622-N626 PolarHBondContact O-ND2 2.83Å |
| 623 | T | 77.9 | Confident | 80.2 | Confident | 19 Ų | 19 | 24.2 Ų | 24.2 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 176.6 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | F542 F619 G620 N621 L625 N626 V627 | F542-T623 HydrophobicContact CD2-CG2 4.06Å; F542-T623 HydrophobicContact CE2-CG2 4.29Å; F619-T623 WeakPolarHBondContact O-CG2 3.25Å; F619-T623 PolarHBondContact O-N 2.83Å; F619-T623 PolarHBondContact O-OG1 2.85Å; G620-T623 WeakPolarHBondContact O-CA 3.33Å; G620-T623 PolarHBondContact O-N 3.47Å; G620-T623 PolarHBondContact O-OG1 3.37Å; N621-T623 PolarHBondContact O-N 2.94Å; T623-L625 VanDerWaalsContact C-N 3.32Å; T623-L625 PolarHBondContact O-N 3.06Å; T623-N626 PolarHBondContact O-N 2.87Å; T623-V627 WeakPolarHBondContact O-CG2 3.46Å; T623-V627 PolarHBondContact O-N 2.73Å |
| 624 | L | 77.4 | Confident | 79.1 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.4 | -46 | 174.3 | -78.3 | 169.3 | 0 | 0 | 0 | 111.4 | L539 L583 G620 N621 V627 F628 F1050 | L539-L624 HydrophobicContact CD1-CD2 3.57Å; L539-L624 HydrophobicContact CD1-CG 3.95Å; L539-L624 HydrophobicContact CD2-CD2 3.59Å; L539-L624 HydrophobicContact CG-CD2 4.23Å; L583-L624 HydrophobicContact CB-CD1 4.21Å; L583-L624 HydrophobicContact CD2-CD1 4.43Å; L583-L624 WeakPolarHBondContact O-CD1 3.39Å; G620-L624 PolarHBondContact O-N 3.17Å; N621-L624 PolarHBondContact O-N 3.02Å; L624-V627 WeakPolarHBondContact O-CB 3.47Å; L624-V627 PolarHBondContact O-N 3.02Å; L624-F628 WeakPolarHBondContact O-CB 3.49Å; L624-F628 PolarHBondContact O-N 3.18Å; L624-F1050 HydrophobicContact CD2-CZ 4.15Å |
| 625 | L | 75.7 | Confident | 78.1 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | -178.6 | 177.5 | 56.9 | 0 | 0 | 0 | 112.6 | V270 L271 L274 N621 T623 V627 F628 L629 T2126 | V270-L625 HydrophobicContact CG1-CD2 3.96Å; L271-L625 HydrophobicContact CD2-CD1 3.29Å; L271-L625 HydrophobicContact CD2-CD2 3.67Å; L271-L625 HydrophobicContact CD2-CG 4.02Å; L271-L625 HydrophobicContact CG-CD2 4.25Å; L274-L625 HydrophobicContact CD1-CD2 3.62Å; L274-L625 HydrophobicContact CD1-CG 3.81Å; N621-L625 WeakPolarHBondContact O-CB 3.38Å; N621-L625 PolarHBondContact O-N 2.91Å; T623-L625 VanDerWaalsContact C-N 3.32Å; T623-L625 PolarHBondContact O-N 3.06Å; L625-V627 VanDerWaalsContact C-N 3.31Å; L625-V627 PolarHBondContact O-N 2.81Å; L625-F628 HydrophobicContact CD1-CD1 4.4Å; L625-F628 PolarHBondContact O-N 3.21Å; L625-L629 HydrophobicContact CD1-CD1 3.83Å; L625-L629 HydrophobicContact CD1-CG 3.82Å; L625-L629 HydrophobicContact CG-CD1 4.02Å; L625-L629 HydrophobicContact CG-CG 4.42Å; L625-L629 WeakPolarHBondContact O-CB 3.22Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.3Å; L625-T2126 HydrophobicContact CD1-CG2 3.57Å |
| 626 | N | 73.9 | Confident | 77 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 172.2 | -78.3 | -65.1 | 0 | 0 | 0 | 112.1 | I117 L274 F278 Y622 T623 A630 | I117-N626 HydrophobicContact CD1-CB 4.31Å; I117-N626 HydrophobicContact CG1-CB 4.04Å; L274-N626 WeakPolarHBondContact CD2-OD1 3.34Å; F278-N626 HydrophobicContact CE2-CB 4.19Å; F278-N626 WeakPolarHBondContact CE2-OD1 3.38Å; F278-N626 HydrophobicContact CZ-CB 3.89Å; F278-N626 WeakPolarHBondContact CZ-OD1 3.2Å; Y622-N626 VanDerWaalsContact CD2-ND2 3.32Å; Y622-N626 WeakPolarHBondContact CD2-ND2 3.36Å; Y622-N626 WeakPolarHBondContact CE1-ND2 3.08Å; Y622-N626 WeakPolarHBondContact CE2-ND2 3.45Å; Y622-N626 PolarHBondContact O-N 3Å; Y622-N626 PolarHBondContact O-ND2 2.83Å; T623-N626 PolarHBondContact O-N 2.87Å; N626-A630 VanDerWaalsContact O-CB 3.29Å; N626-A630 WeakPolarHBondContact O-CB 3.34Å; N626-A630 PolarHBondContact O-N 3.09Å; N626-A630 VanDerWaalsContact O-N 3.11Å |
| 627 | V | 74.4 | Confident | 75.7 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 174.8 | 167 | 0 | 0 | 0 | 0 | 110.7 | L535 T623 L624 L625 A630 I631 F1050 | L535-V627 HydrophobicContact CB-CB 4.46Å; L535-V627 HydrophobicContact CB-CG1 3.83Å; L535-V627 HydrophobicContact CB-CG2 3.98Å; L535-V627 HydrophobicContact CD1-CG1 4.27Å; L535-V627 HydrophobicContact CD2-CG2 4.35Å; T623-V627 WeakPolarHBondContact O-CG2 3.46Å; T623-V627 PolarHBondContact O-N 2.73Å; L624-V627 WeakPolarHBondContact O-CB 3.47Å; L624-V627 PolarHBondContact O-N 3.02Å; L625-V627 VanDerWaalsContact C-N 3.31Å; L625-V627 PolarHBondContact O-N 2.81Å; V627-A630 PolarHBondContact O-N 3.35Å; V627-I631 HydrophobicContact CG1-CD1 3.75Å; V627-I631 WeakPolarHBondContact O-CD1 3.49Å; V627-I631 VanDerWaalsContact O-CG1 3.27Å; V627-I631 WeakPolarHBondContact O-CG1 3.15Å; V627-I631 PolarHBondContact O-N 3.02Å; V627-I631 VanDerWaalsContact O-N 3.11Å; V627-F1050 HydrophobicContact CG1-CE1 4.14Å; V627-F1050 HydrophobicContact CG1-CZ 4.19Å |
| 628 | F | 72.1 | Confident | 74.7 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -54.8 | 177.6 | 179.5 | -96.1 | 0 | 0 | 0 | 111.4 | L624 L625 A630 I631 A632 F1050 V1053 N1054 F2125 T2126 | L624-F628 WeakPolarHBondContact O-CB 3.49Å; L624-F628 PolarHBondContact O-N 3.18Å; L625-F628 HydrophobicContact CD1-CD1 4.4Å; L625-F628 PolarHBondContact O-N 3.21Å; F628-A630 PolarHBondContact O-N 3.49Å; F628-I631 CarbonylContact O-C 3.59Å; F628-I631 PolarHBondContact O-N 2.99Å; F628-I631 VanDerWaalsContact O-N 3.13Å; F628-A632 WeakPolarHBondContact O-CB 3.4Å; F628-A632 PolarHBondContact O-N 2.83Å; F628-F1050 HydrophobicContact CB-CE1 4.29Å; F628-F1050 HydrophobicContact CD2-CD1 4.15Å; F628-F1050 HydrophobicContact CD2-CE1 4.45Å; F628-V1053 HydrophobicContact CE2-CB 4.02Å; F628-V1053 HydrophobicContact CE2-CG1 4.11Å; F628-V1053 HydrophobicContact CZ-CB 4.14Å; F628-V1053 HydrophobicContact CZ-CG1 3.75Å; F628-N1054 WeakPolarHBondContact CE2-OD1 3.27Å; F628-N1054 VanDerWaalsContact CZ-OD1 3.3Å; F628-N1054 WeakPolarHBondContact CZ-OD1 3.42Å; F628-N1054 PolarHBondContact O-OD1 2.92Å; F628-F2125 HydrophobicContact CE1-CD1 4.49Å; F628-T2126 HydrophobicContact CD1-CG2 4.22Å |
| 629 | L | 70.7 | Confident | 73.7 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | -178.5 | -71.8 | 173.7 | 0 | 0 | 0 | 113 | L271 L274 F278 L625 I631 A632 V633 | L271-L629 HydrophobicContact CD2-CD1 4.28Å; L274-L629 HydrophobicContact CB-CD1 3.35Å; L274-L629 HydrophobicContact CD1-CD1 3.98Å; L274-L629 HydrophobicContact CG-CD1 4.3Å; F278-L629 HydrophobicContact CD2-CB 3.99Å; F278-L629 HydrophobicContact CD2-CD1 4.41Å; F278-L629 HydrophobicContact CE2-CB 4.2Å; L625-L629 HydrophobicContact CD1-CD1 3.83Å; L625-L629 HydrophobicContact CD1-CG 3.82Å; L625-L629 HydrophobicContact CG-CD1 4.02Å; L625-L629 HydrophobicContact CG-CG 4.42Å; L625-L629 WeakPolarHBondContact O-CB 3.22Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.3Å; L629-I631 VanDerWaalsContact C-N 3.33Å; L629-I631 PolarHBondContact O-N 3.42Å; L629-A632 PolarHBondContact O-N 2.8Å; L629-V633 VanDerWaalsContact O-CB 3.29Å; L629-V633 WeakPolarHBondContact O-CB 3.36Å; L629-V633 VanDerWaalsContact O-CG2 3.3Å; L629-V633 WeakPolarHBondContact O-CG2 3.39Å; L629-V633 PolarHBondContact O-N 3.29Å |
| 630 | A | 72.1 | Confident | 72.8 | Confident | 22 Ų | 22 | 20.7 Ų | 20.7 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L535 N626 V627 F628 D634 | L535-A630 HydrophobicContact CD1-CB 4.12Å; N626-A630 VanDerWaalsContact O-CB 3.29Å; N626-A630 WeakPolarHBondContact O-CB 3.34Å; N626-A630 PolarHBondContact O-N 3.09Å; N626-A630 VanDerWaalsContact O-N 3.11Å; V627-A630 PolarHBondContact O-N 3.35Å; F628-A630 PolarHBondContact O-N 3.49Å; A630-D634 VanDerWaalsContact O-CB 3.31Å; A630-D634 WeakPolarHBondContact O-CB 3.29Å; A630-D634 PolarHBondContact O-N 3.07Å |
| 631 | I | 72 | Confident | 71.9 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.3 | -39.7 | 177.3 | -62 | 162.9 | 0 | 0 | 0 | 111.3 | I532 L535 V627 F628 L629 D634 N635 F1050 N1054 | I532-I631 HydrophobicContact CD1-CG2 4.3Å; I532-I631 HydrophobicContact CG1-CD1 3.9Å; I532-I631 HydrophobicContact CG1-CG1 3.96Å; I532-I631 HydrophobicContact CG1-CG2 4.2Å; I532-I631 HydrophobicContact CG2-CD1 4.44Å; L535-I631 HydrophobicContact CD1-CD1 4.16Å; L535-I631 HydrophobicContact CD1-CG1 3.83Å; V627-I631 HydrophobicContact CG1-CD1 3.75Å; V627-I631 WeakPolarHBondContact O-CD1 3.49Å; V627-I631 VanDerWaalsContact O-CG1 3.27Å; V627-I631 WeakPolarHBondContact O-CG1 3.15Å; V627-I631 PolarHBondContact O-N 3.02Å; V627-I631 VanDerWaalsContact O-N 3.11Å; F628-I631 CarbonylContact O-C 3.59Å; F628-I631 PolarHBondContact O-N 2.99Å; F628-I631 VanDerWaalsContact O-N 3.13Å; L629-I631 VanDerWaalsContact C-N 3.33Å; L629-I631 PolarHBondContact O-N 3.42Å; I631-D634 PolarHBondContact O-N 3.47Å; I631-N635 WeakPolarHBondContact CG2-ND2 3.25Å; I631-N635 VanDerWaalsContact O-CB 3.28Å; I631-N635 WeakPolarHBondContact O-CB 3.37Å; I631-N635 VanDerWaalsContact O-CG 3.28Å; I631-N635 PolarHBondContact O-N 3.03Å; I631-N635 PolarHBondContact O-ND2 3.13Å; I631-F1050 HydrophobicContact CD1-CD1 4.43Å; I631-N1054 WeakPolarHBondContact CG2-ND2 3.24Å |
| 632 | A | 71.1 | Confident | 71 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 7% | 0.066 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F628 L629 N635 L636 N1054 | F628-A632 WeakPolarHBondContact O-CB 3.4Å; F628-A632 PolarHBondContact O-N 2.83Å; L629-A632 PolarHBondContact O-N 2.8Å; A632-N635 PolarHBondContact O-N 3.46Å; A632-L636 WeakPolarHBondContact O-CB 3.38Å; A632-L636 PolarHBondContact O-N 3.38Å; A632-N1054 VanDerWaalsContact CA-OD1 3.32Å; A632-N1054 WeakPolarHBondContact CA-OD1 3.44Å; A632-N1054 WeakPolarHBondContact CB-OD1 3.48Å; A632-N1054 PolarHBondContact N-OD1 3.03Å |
| 633 | V | 68 | Low | 70.2 | Confident | 22 Ų | 22 | 24.7 Ų | 24.7 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 179.6 | 167 | 0 | 0 | 0 | 0 | 111.2 | R282 L629 N635 L636 A637 | R282-V633 VanDerWaalsContact CD-CG1 3.44Å; R282-V633 VanDerWaalsContact NH1-C 3.33Å; R282-V633 PolarHBondContact NH1-O 2.8Å; L629-V633 VanDerWaalsContact O-CB 3.29Å; L629-V633 WeakPolarHBondContact O-CB 3.36Å; L629-V633 VanDerWaalsContact O-CG2 3.3Å; L629-V633 WeakPolarHBondContact O-CG2 3.39Å; L629-V633 PolarHBondContact O-N 3.29Å; V633-N635 PolarHBondContact O-N 3.02Å; V633-L636 PolarHBondContact O-N 2.87Å; V633-A637 PolarHBondContact O-N 3.33Å; V633-A637 VanDerWaalsContact O-N 3.13Å |
| 634 | D | 70.7 | Confident | 69.7 | Low | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 172.8 | -89.5 | -5.2 | 0 | 0 | 0 | 111 | R282 S531 A630 I631 N638 | R282-D634 IonicContact NH1-OD1 3.88Å; S531-D634 PolarHBondContact OG-OD2 2.84Å; A630-D634 VanDerWaalsContact O-CB 3.31Å; A630-D634 WeakPolarHBondContact O-CB 3.29Å; A630-D634 PolarHBondContact O-N 3.07Å; I631-D634 PolarHBondContact O-N 3.47Å; D634-N638 WeakPolarHBondContact O-CB 3.24Å; D634-N638 VanDerWaalsContact O-CG 3.29Å; D634-N638 PolarHBondContact O-N 2.84Å; D634-N638 PolarHBondContact O-ND2 3.44Å |
| 635 | N | 68.4 | Low | 69.2 | Low | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | -179.5 | -72.8 | -23.6 | 0 | 0 | 0 | 113 | S528 I631 A632 V633 N638 A639 | S528-N635 WeakPolarHBondContact CB-OD1 3.04Å; S528-N635 PolarHBondContact OG-OD1 2.81Å; S528-N635 VanDerWaalsContact OG-OD1 3.11Å; I631-N635 WeakPolarHBondContact CG2-ND2 3.25Å; I631-N635 VanDerWaalsContact O-CB 3.28Å; I631-N635 WeakPolarHBondContact O-CB 3.37Å; I631-N635 VanDerWaalsContact O-CG 3.28Å; I631-N635 PolarHBondContact O-N 3.03Å; I631-N635 PolarHBondContact O-ND2 3.13Å; A632-N635 PolarHBondContact O-N 3.46Å; V633-N635 PolarHBondContact O-N 3.02Å; N635-N638 PolarHBondContact O-N 3.4Å; N635-A639 WeakPolarHBondContact O-CB 3.19Å; N635-A639 PolarHBondContact O-N 2.85Å |
| 636 | L | 66.6 | Low | 68.8 | Low | 28 Ų | 28 | 30.1 Ų | 30.1 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.9 | -51.1 | 176.2 | 168.4 | 61.7 | 0 | 0 | 0 | 111.2 | A632 V633 A639 Q640 A1058 I1061 I1062 | A632-L636 WeakPolarHBondContact O-CB 3.38Å; A632-L636 PolarHBondContact O-N 3.38Å; V633-L636 PolarHBondContact O-N 2.87Å; L636-A639 WeakPolarHBondContact O-CB 3.18Å; L636-A639 PolarHBondContact O-N 2.93Å; L636-Q640 PolarHBondContact O-N 2.83Å; L636-A1058 HydrophobicContact CB-CB 4.05Å; L636-A1058 HydrophobicContact CD1-CB 4.26Å; L636-I1061 HydrophobicContact CD1-CB 4.29Å; L636-I1061 HydrophobicContact CD1-CG2 3.98Å; L636-I1061 HydrophobicContact CD2-CD1 4.39Å; L636-I1061 HydrophobicContact CD2-CG2 3.89Å; L636-I1062 HydrophobicContact CD1-CD1 3.92Å; L636-I1062 HydrophobicContact CD1-CG1 3.59Å |
| 637 | A | 66.1 | Low | 68.7 | Low | 16 Ų | 16 | 34.3 Ų | 34.3 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R282 V633 A639 Q640 E641 | R282-A637 VanDerWaalsContact NH1-CB 3.3Å; V633-A637 PolarHBondContact O-N 3.33Å; V633-A637 VanDerWaalsContact O-N 3.13Å; A637-A639 VanDerWaalsContact C-N 3.27Å; A637-A639 PolarHBondContact O-N 2.87Å; A637-Q640 PolarHBondContact O-N 2.96Å; A637-E641 VanDerWaalsContact O-CB 3.31Å; A637-E641 WeakPolarHBondContact O-CB 3.48Å; A637-E641 WeakPolarHBondContact O-CG 3.46Å; A637-E641 PolarHBondContact O-N 3.23Å |
| 638 | N | 67.1 | Low | 68.6 | Low | 30 Ų | 30 | 38.4 Ų | 38.4 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -36.7 | 170.5 | -78.3 | -51 | 0 | 0 | 0 | 111.3 | D634 N635 L642 | D634-N638 WeakPolarHBondContact O-CB 3.24Å; D634-N638 VanDerWaalsContact O-CG 3.29Å; D634-N638 PolarHBondContact O-N 2.84Å; D634-N638 PolarHBondContact O-ND2 3.44Å; N635-N638 PolarHBondContact O-N 3.4Å; N638-L642 WeakPolarHBondContact O-CB 3.48Å; N638-L642 PolarHBondContact O-N 3.06Å |
| 639 | A | 66 | Low | 68.7 | Low | 21 Ų | 21 | 41.4 Ų | 41.4 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.1 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N635 L636 A637 L642 T643 I1062 | N635-A639 WeakPolarHBondContact O-CB 3.19Å; N635-A639 PolarHBondContact O-N 2.85Å; L636-A639 WeakPolarHBondContact O-CB 3.18Å; L636-A639 PolarHBondContact O-N 2.93Å; A637-A639 VanDerWaalsContact C-N 3.27Å; A637-A639 PolarHBondContact O-N 2.87Å; A639-L642 PolarHBondContact O-N 3.28Å; A639-T643 WeakPolarHBondContact O-CB 3.43Å; A639-T643 PolarHBondContact O-N 3.49Å; A639-T643 PolarHBondContact O-OG1 3.43Å; A639-I1062 HydrophobicContact CB-CD1 3.93Å |
| 640 | Q | 67.5 | Low | 68.9 | Low | 61 Ų | 61 | 43.5 Ų | 43.5 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 174.4 | -176.3 | 179.2 | -10.6 | 0 | 0 | 111.8 | L636 A637 L642 T643 E644 | L636-Q640 PolarHBondContact O-N 2.83Å; A637-Q640 PolarHBondContact O-N 2.96Å; Q640-L642 VanDerWaalsContact C-N 3.27Å; Q640-L642 PolarHBondContact O-N 3.4Å; Q640-T643 PolarHBondContact O-N 2.95Å; Q640-E644 PolarHBondContact NE2-OE1 3.31Å; Q640-E644 WeakPolarHBondContact O-CB 3.38Å; Q640-E644 PolarHBondContact O-N 2.84Å |
| 641 | E | 65.3 | Low | 69.2 | Low | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -39 | 174.5 | -79.8 | -169.2 | -145.1 | 0 | 0 | 111.6 | F291 A637 A645 | F291-E641 VanDerWaalsContact CD2-OE1 3.3Å; F291-E641 WeakPolarHBondContact CD2-OE1 3.22Å; F291-E641 HydrophobicContact CE2-CG 4.12Å; F291-E641 WeakPolarHBondContact CE2-OE1 3.48Å; A637-E641 VanDerWaalsContact O-CB 3.31Å; A637-E641 WeakPolarHBondContact O-CB 3.48Å; A637-E641 WeakPolarHBondContact O-CG 3.46Å; A637-E641 PolarHBondContact O-N 3.23Å; E641-A645 WeakPolarHBondContact O-CB 3.33Å; E641-A645 PolarHBondContact O-N 3.21Å |
| 642 | L | 64.2 | Low | 69.5 | Low | 61 Ų | 61 | 52.3 Ų | 52.3 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 176.3 | -180 | 66.4 | 0 | 0 | 0 | 111.7 | N520 N638 A639 Q640 A645 E646 | N520-L642 HydrophobicContact CB-CD2 3.95Å; N638-L642 WeakPolarHBondContact O-CB 3.48Å; N638-L642 PolarHBondContact O-N 3.06Å; A639-L642 PolarHBondContact O-N 3.28Å; Q640-L642 VanDerWaalsContact C-N 3.27Å; Q640-L642 PolarHBondContact O-N 3.4Å; L642-A645 CarbonylContact O-C 3.12Å; L642-A645 PolarHBondContact O-N 3.19Å; L642-E646 HydrophobicContact CD1-CG 4.2Å; L642-E646 HydrophobicContact CG-CG 4.43Å; L642-E646 WeakPolarHBondContact O-CB 3.37Å; L642-E646 WeakPolarHBondContact O-CG 3.36Å; L642-E646 PolarHBondContact O-N 2.89Å |
| 643 | T | 67.1 | Low | 69.7 | Low | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | A639 Q640 A645 E646 E647 | A639-T643 WeakPolarHBondContact O-CB 3.43Å; A639-T643 PolarHBondContact O-N 3.49Å; A639-T643 PolarHBondContact O-OG1 3.43Å; Q640-T643 PolarHBondContact O-N 2.95Å; T643-A645 VanDerWaalsContact C-N 3.26Å; T643-A645 PolarHBondContact O-N 3.44Å; T643-E646 PolarHBondContact O-N 3.07Å; T643-E647 WeakPolarHBondContact O-CB 3.44Å; T643-E647 PolarHBondContact O-N 2.96Å |
| 644 | E | 67.6 | Low | 70.1 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -37.5 | 170.1 | -79.5 | -168.9 | -126.6 | 0 | 0 | 111.3 | Q640 E648 K1868 | Q640-E644 PolarHBondContact NE2-OE1 3.31Å; Q640-E644 WeakPolarHBondContact O-CB 3.38Å; Q640-E644 PolarHBondContact O-N 2.84Å; E644-E648 VanDerWaalsContact O-CB 3.3Å; E644-E648 WeakPolarHBondContact O-CB 3.37Å; E644-E648 WeakPolarHBondContact O-CG 3.34Å; E644-E648 PolarHBondContact O-N 2.96Å; E644-K1868 IonicContact OE2-NZ 3.95Å; E644-K1868 PolarHBondContact OE2-NZ 2.9Å |
| 645 | A | 66.1 | Low | 70.5 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.8 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E641 L642 T643 Q649 | E641-A645 WeakPolarHBondContact O-CB 3.33Å; E641-A645 PolarHBondContact O-N 3.21Å; L642-A645 CarbonylContact O-C 3.12Å; L642-A645 PolarHBondContact O-N 3.19Å; T643-A645 VanDerWaalsContact C-N 3.26Å; T643-A645 PolarHBondContact O-N 3.44Å; A645-Q649 VanDerWaalsContact O-CB 3.23Å; A645-Q649 WeakPolarHBondContact O-CB 3.02Å; A645-Q649 WeakPolarHBondContact O-CG 3.27Å; A645-Q649 PolarHBondContact O-N 3.37Å |
| 646 | E | 66.6 | Low | 70.8 | Confident | 87 Ų | 87 | 67 Ų | 67 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.7 | -35.2 | 173.1 | -77.1 | -174 | -166 | 0 | 0 | 110.5 | N520 L642 T643 Q649 A650 | N520-E646 PolarHBondContact ND2-OE1 3.25Å; L642-E646 HydrophobicContact CD1-CG 4.2Å; L642-E646 HydrophobicContact CG-CG 4.43Å; L642-E646 WeakPolarHBondContact O-CB 3.37Å; L642-E646 WeakPolarHBondContact O-CG 3.36Å; L642-E646 PolarHBondContact O-N 2.89Å; T643-E646 PolarHBondContact O-N 3.07Å; E646-Q649 CarbonylContact O-C 3.59Å; E646-Q649 PolarHBondContact O-N 3.4Å; E646-A650 WeakPolarHBondContact O-CB 3.33Å; E646-A650 PolarHBondContact O-N 2.96Å |
| 647 | E | 72.4 | Confident | 71.2 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 168 | -79.9 | -164.2 | -153.1 | 0 | 0 | 112.7 | T643 Q649 A650 K651 | T643-E647 WeakPolarHBondContact O-CB 3.44Å; T643-E647 PolarHBondContact O-N 2.96Å; E647-Q649 PolarHBondContact O-N 2.94Å; E647-A650 PolarHBondContact O-N 3.24Å; E647-K651 HydrophobicContact CB-CD 4.49Å; E647-K651 WeakPolarHBondContact O-CA 3.22Å; E647-K651 WeakPolarHBondContact O-CB 3.31Å; E647-K651 VanDerWaalsContact O-CG 3.27Å; E647-K651 WeakPolarHBondContact O-CG 3.17Å; E647-K651 PolarHBondContact O-N 3.46Å; E647-K651 IonicContact OE2-NZ 2.78Å; E647-K651 PolarHBondContact OE2-NZ 3.49Å |
| 648 | E | 73.4 | Confident | 71.7 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.8 | -39 | 171.9 | -84.5 | -175.3 | -172.2 | 0 | 0 | 109.9 | R295 E644 L652 | R295-E648 IonicContact CZ-OE1 3.13Å; R295-E648 IonicContact CZ-OE2 2.67Å; R295-E648 IonicContact NH2-OE1 3.97Å; R295-E648 PolarHBondContact NH2-OE1 3.11Å; R295-E648 IonicContact NH2-OE2 3.77Å; R295-E648 PolarHBondContact NH2-OE2 3.25Å; E644-E648 VanDerWaalsContact O-CB 3.3Å; E644-E648 WeakPolarHBondContact O-CB 3.37Å; E644-E648 WeakPolarHBondContact O-CG 3.34Å; E644-E648 PolarHBondContact O-N 2.96Å; E648-L652 WeakPolarHBondContact O-CB 3.36Å; E648-L652 WeakPolarHBondContact O-CD1 3.15Å; E648-L652 WeakPolarHBondContact O-CG 3.3Å; E648-L652 PolarHBondContact O-N 3.02Å |
| 649 | Q | 72.5 | Confident | 72.2 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.3 | -33.9 | 177.8 | -76.3 | -172 | -4.7 | 0 | 0 | 113.9 | K302 A645 E646 E647 Q653 | K302-Q649 VanDerWaalsContact NZ-NE2 3.2Å; A645-Q649 VanDerWaalsContact O-CB 3.23Å; A645-Q649 WeakPolarHBondContact O-CB 3.02Å; A645-Q649 WeakPolarHBondContact O-CG 3.27Å; A645-Q649 PolarHBondContact O-N 3.37Å; E646-Q649 CarbonylContact O-C 3.59Å; E646-Q649 PolarHBondContact O-N 3.4Å; E647-Q649 PolarHBondContact O-N 2.94Å; Q649-Q653 VanDerWaalsContact O-CB 3.26Å; Q649-Q653 WeakPolarHBondContact O-CB 3.43Å; Q649-Q653 VanDerWaalsContact O-CG 3.24Å; Q649-Q653 WeakPolarHBondContact O-CG 3.32Å; Q649-Q653 PolarHBondContact O-N 3.01Å; Q649-Q653 PolarHBondContact O-NE2 3.3Å; Q649-Q653 VanDerWaalsContact O-NE2 3.15Å |
| 650 | A | 76.9 | Confident | 72.7 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.3 | -51.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E646 E647 L652 Q653 E654 | E646-A650 WeakPolarHBondContact O-CB 3.33Å; E646-A650 PolarHBondContact O-N 2.96Å; E647-A650 PolarHBondContact O-N 3.24Å; A650-L652 PolarHBondContact O-N 3.35Å; A650-Q653 CarbonylContact O-C 3.53Å; A650-Q653 PolarHBondContact O-N 3.11Å; A650-E654 WeakPolarHBondContact O-CA 3.37Å; A650-E654 VanDerWaalsContact O-CB 3.29Å; A650-E654 WeakPolarHBondContact O-CB 3.47Å; A650-E654 PolarHBondContact O-N 3.11Å |
| 651 | K | 77.8 | Confident | 73 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.2 | -34.4 | 171.8 | -69.5 | 162.2 | 178.1 | 165.1 | 0 | 111.5 | E647 E655 | E647-K651 HydrophobicContact CB-CD 4.49Å; E647-K651 WeakPolarHBondContact O-CA 3.22Å; E647-K651 WeakPolarHBondContact O-CB 3.31Å; E647-K651 VanDerWaalsContact O-CG 3.27Å; E647-K651 WeakPolarHBondContact O-CG 3.17Å; E647-K651 PolarHBondContact O-N 3.46Å; E647-K651 IonicContact OE2-NZ 2.78Å; E647-K651 PolarHBondContact OE2-NZ 3.49Å; K651-E655 VanDerWaalsContact O-CA 3.31Å; K651-E655 WeakPolarHBondContact O-CA 3.03Å; K651-E655 WeakPolarHBondContact O-CB 3.33Å; K651-E655 WeakPolarHBondContact O-CG 3.49Å; K651-E655 PolarHBondContact O-N 3.25Å |
| 652 | L | 77.8 | Confident | 73.5 | Confident | 92 Ų | 92 | 75 Ų | 75 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -29.6 | 173.1 | -81.2 | 169 | 0 | 0 | 0 | 114.2 | E648 A650 E655 S656 | E648-L652 WeakPolarHBondContact O-CB 3.36Å; E648-L652 WeakPolarHBondContact O-CD1 3.15Å; E648-L652 WeakPolarHBondContact O-CG 3.3Å; E648-L652 PolarHBondContact O-N 3.02Å; A650-L652 PolarHBondContact O-N 3.35Å; L652-E655 CarbonylContact O-C 3.45Å; L652-E655 WeakPolarHBondContact O-CB 3.22Å; L652-S656 WeakPolarHBondContact O-CB 3.33Å; L652-S656 PolarHBondContact O-N 2.99Å; L652-S656 VanDerWaalsContact O-N 3.14Å |
| 653 | Q | 74.6 | Confident | 74.1 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -87.9 | -41.9 | 179.9 | -82.3 | 172.9 | 72.7 | 0 | 0 | 113.4 | Q649 A650 S656 S1773 Q1774 | Q649-Q653 VanDerWaalsContact O-CB 3.26Å; Q649-Q653 WeakPolarHBondContact O-CB 3.43Å; Q649-Q653 VanDerWaalsContact O-CG 3.24Å; Q649-Q653 WeakPolarHBondContact O-CG 3.32Å; Q649-Q653 PolarHBondContact O-N 3.01Å; Q649-Q653 PolarHBondContact O-NE2 3.3Å; Q649-Q653 VanDerWaalsContact O-NE2 3.15Å; A650-Q653 CarbonylContact O-C 3.53Å; A650-Q653 PolarHBondContact O-N 3.11Å; Q653-S656 VanDerWaalsContact C-N 3.27Å; Q653-S656 PolarHBondContact O-N 2.69Å; Q653-S656 PolarHBondContact O-OG 3.01Å; Q653-S1773 CarbonylContact O-C 3.58Å; Q653-Q1774 PolarHBondContact O-N 3.29Å |
| 654 | E | 77.9 | Confident | 74.4 | Confident | 142 Ų | 142 | 76.9 Ų | 76.9 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.2 | -36.2 | 159.8 | -175.6 | 174.7 | -156.6 | 0 | 0 | 109.6 | A650 S656 S1773 Q1774 | A650-E654 WeakPolarHBondContact O-CA 3.37Å; A650-E654 VanDerWaalsContact O-CB 3.29Å; A650-E654 WeakPolarHBondContact O-CB 3.47Å; A650-E654 PolarHBondContact O-N 3.11Å; E654-S656 VanDerWaalsContact C-N 3.32Å; E654-S656 PolarHBondContact O-N 3.39Å; E654-S1773 CarbonylContact C-O 3.35Å; E654-S1773 WeakPolarHBondContact CA-O 3.08Å; E654-S1773 CarbonylContact O-C 3.39Å; E654-Q1774 CarbonylContact O-C 3.41Å; E654-Q1774 VanDerWaalsContact O-C 3.23Å; E654-Q1774 WeakPolarHBondContact O-CA 3.43Å; E654-Q1774 PolarHBondContact O-N 3.16Å |
| 655 | E | 78.1 | Confident | 74.6 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.6 | 163.7 | -88.4 | -172.1 | 177.8 | 0 | 0 | 112.4 | K651 L652 Q1774 K1775 | K651-E655 VanDerWaalsContact O-CA 3.31Å; K651-E655 WeakPolarHBondContact O-CA 3.03Å; K651-E655 WeakPolarHBondContact O-CB 3.33Å; K651-E655 WeakPolarHBondContact O-CG 3.49Å; K651-E655 PolarHBondContact O-N 3.25Å; L652-E655 CarbonylContact O-C 3.45Å; L652-E655 WeakPolarHBondContact O-CB 3.22Å; E655-Q1774 CarbonylContact C-O 3.56Å; E655-Q1774 CarbonylContact O-C 3.54Å; E655-K1775 HydrophobicContact CB-CG 4.18Å; E655-K1775 WeakPolarHBondContact O-CA 3.31Å; E655-K1775 WeakPolarHBondContact O-CB 3.16Å; E655-K1775 WeakPolarHBondContact O-CG 3.27Å; E655-K1775 PolarHBondContact O-N 3.37Å; E655-K1775 WeakPolarHBondContact OE2-CE 3.27Å; E655-K1775 IonicContact OE2-NZ 3.67Å; E655-K1775 PolarHBondContact OE2-NZ 3.07Å |
| 656 | S | 75.7 | Confident | 74.8 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -96 | -17.4 | -154.4 | 90.6 | 0 | 0 | 0 | 0 | 124 | L652 Q653 E654 Q1774 K1775 | L652-S656 WeakPolarHBondContact O-CB 3.33Å; L652-S656 PolarHBondContact O-N 2.99Å; L652-S656 VanDerWaalsContact O-N 3.14Å; Q653-S656 VanDerWaalsContact C-N 3.27Å; Q653-S656 PolarHBondContact O-N 2.69Å; Q653-S656 PolarHBondContact O-OG 3.01Å; E654-S656 VanDerWaalsContact C-N 3.32Å; E654-S656 PolarHBondContact O-N 3.39Å; S656-Q1774 VanDerWaalsContact N-C 3.33Å; S656-K1775 VanDerWaalsContact C-CA 3.44Å; S656-K1775 VanDerWaalsContact C-CB 3.42Å; S656-K1775 CarbonylContact C-O 3.3Å; S656-K1775 VanDerWaalsContact CA-CB 3.48Å; S656-K1775 CarbonylContact O-C 3.56Å; S656-K1775 WeakPolarHBondContact O-CB 3.19Å |
| 657 | H | 74 | Confident | 74.9 | Confident | 52 Ų | 52 | 81 Ų | 81 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -136.9 | 21.7 | -177.1 | 64.1 | 117.3 | 0 | 0 | 0 | 122.4 | A659 E660 E661 F1772 S1773 Q1774 K1775 | H657-A659 VanDerWaalsContact C-N 3.27Å; H657-E660 HydrophobicContact CB-CB 3.86Å; H657-E660 HydrophobicContact CB-CG 3.81Å; H657-E660 WeakPolarHBondContact CB-OE2 3.41Å; H657-E660 WeakPolarHBondContact O-CB 3.41Å; H657-E660 PolarHBondContact O-N 2.83Å; H657-E661 PolarHBondContact O-N 2.94Å; H657-F1772 PolarHBondContact CE1-O 3.41Å; H657-F1772 PolarHBondContact NE2-O 3.44Å; H657-S1773 WeakPolarHBondContact CB-OG 3.34Å; H657-S1773 WeakPolarHBondContact CD2-CA 3.33Å; H657-S1773 WeakPolarHBondContact CD2-CB 3.45Å; H657-S1773 PolarHBondContact CD2-OG 3.3Å; H657-S1773 WeakPolarHBondContact CE1-CA 3.31Å; H657-S1773 WeakPolarHBondContact CE1-CB 3.46Å; H657-S1773 PolarHBondContact CE1-OG 2.89Å; H657-S1773 WeakPolarHBondContact ND1-CB 3.38Å; H657-S1773 PolarHBondContact ND1-OG 2.94Å; H657-S1773 WeakPolarHBondContact NE2-CA 3.4Å; H657-S1773 WeakPolarHBondContact NE2-CB 3.25Å; H657-S1773 PolarHBondContact NE2-N 3.04Å; H657-S1773 PolarHBondContact NE2-OG 3.23Å; H657-Q1774 VanDerWaalsContact CA-CA 3.45Å; H657-Q1774 VanDerWaalsContact N-N 3.13Å; H657-K1775 CarbonylContact C-O 3.56Å; H657-K1775 WeakPolarHBondContact CA-O 3.48Å; H657-K1775 VanDerWaalsContact N-N 3.18Å; H657-K1775 PolarHBondContact N-O 3.3Å; H657-K1775 VanDerWaalsContact N-O 3.15Å |
| 658 | L | 77.2 | Confident | 74.8 | Confident | 88 Ų | 88 | 81 Ų | 81 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -78 | -26.1 | 179.1 | -142.2 | -175.4 | 0 | 0 | 0 | 109.3 | E661 T662 Q1774 K1775 | L658-E661 CarbonylContact O-C 3.58Å; L658-E661 VanDerWaalsContact O-CB 3.29Å; L658-E661 WeakPolarHBondContact O-CB 3.32Å; L658-T662 HydrophobicContact CD2-CG2 4.25Å; L658-T662 WeakPolarHBondContact O-CG2 3.19Å; L658-T662 PolarHBondContact O-N 3.2Å; L658-Q1774 VanDerWaalsContact CB-C 3.42Å; L658-Q1774 HydrophobicContact CB-CB 3.36Å; L658-Q1774 HydrophobicContact CB-CG 3.63Å; L658-Q1774 HydrophobicContact CD1-CB 4.46Å; L658-Q1774 HydrophobicContact CG-CB 3.73Å; L658-Q1774 HydrophobicContact CG-CG 3.76Å; L658-Q1774 VanDerWaalsContact N-CB 3.32Å; L658-K1775 PolarHBondContact N-O 3.14Å |
| 659 | A | 77.9 | Confident | 74.5 | Confident | 14 Ų | 14 | 80 Ų | 80 | 12% | 0.116 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -115.4 | 8.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H657 T662 A663 K1775 P1776 L1777 | H657-A659 VanDerWaalsContact C-N 3.27Å; A659-T662 WeakPolarHBondContact CA-OG1 3.38Å; A659-T662 HydrophobicContact CB-CG2 4.07Å; A659-T662 WeakPolarHBondContact CB-OG1 3.34Å; A659-A663 WeakPolarHBondContact O-CB 3.31Å; A659-A663 PolarHBondContact O-N 3.36Å; A659-K1775 VanDerWaalsContact C-C 3.44Å; A659-K1775 CarbonylContact C-O 3.02Å; A659-K1775 VanDerWaalsContact CA-C 3.43Å; A659-K1775 WeakPolarHBondContact CA-O 3.48Å; A659-K1775 VanDerWaalsContact CB-C 3.45Å; A659-K1775 PolarHBondContact N-O 2.99Å; A659-P1776 VanDerWaalsContact CB-N 3.28Å; A659-P1776 WeakPolarHBondContact O-CD 3.07Å; A659-L1777 VanDerWaalsContact CB-N 3.25Å; A659-L1777 PolarHBondContact O-N 2.95Å |
| 660 | E | 75.4 | Confident | 74.3 | Confident | 105 Ų | 105 | 79.1 Ų | 79.1 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.5 | -45.9 | 135.7 | -61.4 | -169.3 | 158.5 | 0 | 0 | 106.9 | H657 T662 A663 E664 K1775 P1776 | H657-E660 HydrophobicContact CB-CB 3.86Å; H657-E660 HydrophobicContact CB-CG 3.81Å; H657-E660 WeakPolarHBondContact CB-OE2 3.41Å; H657-E660 WeakPolarHBondContact O-CB 3.41Å; H657-E660 PolarHBondContact O-N 2.83Å; E660-T662 PolarHBondContact O-N 3.2Å; E660-A663 CarbonylContact O-C 3.5Å; E660-A663 WeakPolarHBondContact O-CA 3.49Å; E660-A663 VanDerWaalsContact O-CB 3.3Å; E660-A663 WeakPolarHBondContact O-CB 3.41Å; E660-A663 PolarHBondContact O-N 3.06Å; E660-E664 WeakPolarHBondContact O-CG 3.33Å; E660-E664 PolarHBondContact O-N 2.95Å; E660-K1775 PolarHBondContact N-O 3.09Å; E660-P1776 VanDerWaalsContact N-CD 3.33Å |
| 661 | E | 74.1 | Confident | 73.7 | Confident | 74 Ų | 74 | 79.7 Ų | 79.7 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 168.6 | -74.6 | 174.1 | 152.2 | 0 | 0 | 112.3 | H657 L658 E664 M665 Q1774 | H657-E661 PolarHBondContact O-N 2.94Å; L658-E661 CarbonylContact O-C 3.58Å; L658-E661 VanDerWaalsContact O-CB 3.29Å; L658-E661 WeakPolarHBondContact O-CB 3.32Å; E661-E664 PolarHBondContact O-N 3.41Å; E661-M665 HydrophobicContact CB-CE 4.2Å; E661-M665 WeakPolarHBondContact O-CB 3.27Å; E661-M665 WeakPolarHBondContact O-CE 3.36Å; E661-M665 WeakPolarHBondContact O-CG 3.11Å; E661-M665 PolarHBondContact O-N 2.87Å; E661-Q1774 PolarHBondContact OE1-NE2 2.91Å; E661-Q1774 VanDerWaalsContact OE2-CG 3.3Å; E661-Q1774 WeakPolarHBondContact OE2-CG 3.17Å; E661-Q1774 PolarHBondContact OE2-NE2 3.37Å |
| 662 | T | 76.3 | Confident | 72.6 | Confident | 31 Ų | 31 | 82.1 Ų | 82.1 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -71 | -32.3 | 172.3 | 86.8 | 0 | 0 | 0 | 0 | 111.2 | L658 A659 E660 E664 M665 R666 L1777 | L658-T662 HydrophobicContact CD2-CG2 4.25Å; L658-T662 WeakPolarHBondContact O-CG2 3.19Å; L658-T662 PolarHBondContact O-N 3.2Å; A659-T662 WeakPolarHBondContact CA-OG1 3.38Å; A659-T662 HydrophobicContact CB-CG2 4.07Å; A659-T662 WeakPolarHBondContact CB-OG1 3.34Å; E660-T662 PolarHBondContact O-N 3.2Å; T662-E664 PolarHBondContact O-N 2.8Å; T662-M665 HydrophobicContact CG2-CE 4.49Å; T662-R666 WeakPolarHBondContact O-CB 3.4Å; T662-R666 WeakPolarHBondContact O-CD 3.04Å; T662-R666 WeakPolarHBondContact O-CG 3.09Å; T662-R666 PolarHBondContact O-N 3.47Å; T662-R666 PolarHBondContact OG1-NH1 3.11Å; T662-R666 VanDerWaalsContact OG1-NH1 3.08Å; T662-L1777 PolarHBondContact OG1-O 3.12Å |
| 663 | A | 76.7 | Confident | 71.6 | Confident | 26 Ų | 26 | 81 Ų | 81 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A659 E660 R666 S667 L1777 | A659-A663 WeakPolarHBondContact O-CB 3.31Å; A659-A663 PolarHBondContact O-N 3.36Å; E660-A663 CarbonylContact O-C 3.5Å; E660-A663 WeakPolarHBondContact O-CA 3.49Å; E660-A663 VanDerWaalsContact O-CB 3.3Å; E660-A663 WeakPolarHBondContact O-CB 3.41Å; E660-A663 PolarHBondContact O-N 3.06Å; A663-R666 PolarHBondContact O-N 2.91Å; A663-S667 WeakPolarHBondContact O-CB 3.16Å; A663-S667 PolarHBondContact O-N 2.92Å; A663-L1777 HydrophobicContact CB-CB 3.99Å; A663-L1777 HydrophobicContact CB-CD1 3.76Å; A663-L1777 HydrophobicContact CB-CG 4.49Å |
| 664 | E | 73.5 | Confident | 70.5 | Confident | 134 Ų | 134 | 81.8 Ų | 81.8 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.7 | -49.7 | -177.1 | -69.2 | -163 | 158 | 0 | 0 | 110.5 | E660 E661 T662 R666 S667 V668 | E660-E664 WeakPolarHBondContact O-CG 3.33Å; E660-E664 PolarHBondContact O-N 2.95Å; E661-E664 PolarHBondContact O-N 3.41Å; T662-E664 PolarHBondContact O-N 2.8Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 3.44Å; E664-S667 PolarHBondContact O-N 3.19Å; E664-S667 PolarHBondContact O-OG 3.13Å; E664-V668 WeakPolarHBondContact O-CG2 3.48Å; E664-V668 PolarHBondContact O-N 3.14Å; E664-V668 VanDerWaalsContact O-N 3.1Å |
| 665 | M | 70.7 | Confident | 69.2 | Low | 113 Ų | 113 | 80.1 Ų | 80.1 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -53.3 | -44.3 | 173.4 | -80.1 | -170.8 | -90.4 | 0 | 0 | 112.5 | E661 T662 T669 | E661-M665 HydrophobicContact CB-CE 4.2Å; E661-M665 WeakPolarHBondContact O-CB 3.27Å; E661-M665 WeakPolarHBondContact O-CE 3.36Å; E661-M665 WeakPolarHBondContact O-CG 3.11Å; E661-M665 PolarHBondContact O-N 2.87Å; T662-M665 HydrophobicContact CG2-CE 4.49Å; M665-T669 PolarHBondContact O-N 3.08Å; M665-T669 PolarHBondContact O-OG1 3.41Å |
| 666 | R | 71.3 | Confident | 67.8 | Low | 78 Ų | 78 | 81.9 Ų | 81.9 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | -179.5 | -69.5 | 161 | 145.5 | 164.5 | -10 | 111.6 | T662 A663 E664 V668 T669 D670 L1777 S1779 | T662-R666 WeakPolarHBondContact O-CB 3.4Å; T662-R666 WeakPolarHBondContact O-CD 3.04Å; T662-R666 WeakPolarHBondContact O-CG 3.09Å; T662-R666 PolarHBondContact O-N 3.47Å; T662-R666 PolarHBondContact OG1-NH1 3.11Å; T662-R666 VanDerWaalsContact OG1-NH1 3.08Å; A663-R666 PolarHBondContact O-N 2.91Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 3.44Å; R666-V668 VanDerWaalsContact C-N 3.33Å; R666-V668 PolarHBondContact O-N 3.21Å; R666-T669 WeakPolarHBondContact O-CB 3.43Å; R666-T669 PolarHBondContact O-N 3.05Å; R666-T669 VanDerWaalsContact O-N 3.1Å; R666-D670 PolarHBondContact O-N 2.86Å; R666-L1777 PolarHBondContact NH1-O 2.98Å; R666-L1777 VanDerWaalsContact NH1-O 3.11Å; R666-S1779 WeakPolarHBondContact CD-O 3.24Å; R666-S1779 VanDerWaalsContact CG-O 3.31Å; R666-S1779 WeakPolarHBondContact CG-O 3.24Å; R666-S1779 VanDerWaalsContact CZ-N 3.34Å; R666-S1779 PolarHBondContact NE-O 2.82Å |
| 667 | S | 69.5 | Low | 66.5 | Low | 70 Ų | 70 | 86.4 Ų | 86.4 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 177.8 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | A663 E664 A671 | A663-S667 WeakPolarHBondContact O-CB 3.16Å; A663-S667 PolarHBondContact O-N 2.92Å; E664-S667 PolarHBondContact O-N 3.19Å; E664-S667 PolarHBondContact O-OG 3.13Å; S667-A671 PolarHBondContact O-N 3.09Å |
| 668 | V | 69.1 | Low | 65 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.5 | -33.8 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | E664 R666 A671 K672 | E664-V668 WeakPolarHBondContact O-CG2 3.48Å; E664-V668 PolarHBondContact O-N 3.14Å; E664-V668 VanDerWaalsContact O-N 3.1Å; R666-V668 VanDerWaalsContact C-N 3.33Å; R666-V668 PolarHBondContact O-N 3.21Å; V668-A671 PolarHBondContact O-N 3.09Å; V668-K672 PolarHBondContact O-N 3.28Å |
| 669 | T | 68 | Low | 63.3 | Low | 65 Ų | 65 | 93.1 Ų | 93.1 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 178.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | M665 R666 A671 N673 | M665-T669 PolarHBondContact O-N 3.08Å; M665-T669 PolarHBondContact O-OG1 3.41Å; R666-T669 WeakPolarHBondContact O-CB 3.43Å; R666-T669 PolarHBondContact O-N 3.05Å; R666-T669 VanDerWaalsContact O-N 3.1Å; T669-A671 VanDerWaalsContact C-N 3.32Å; T669-A671 PolarHBondContact O-N 3.12Å; T669-N673 PolarHBondContact O-ND2 3.36Å |
| 670 | D | 67.1 | Low | 61.5 | Low | 62 Ų | 62 | 99.6 Ų | 99.6 | 33% | 0.332 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 175.7 | -73.3 | -35.4 | 0 | 0 | 0 | 112.5 | R666 S1779 T1780 | R666-D670 PolarHBondContact O-N 2.86Å; D670-S1779 PolarHBondContact OD2-OG 3.24Å; D670-T1780 WeakPolarHBondContact OD1-CG2 3.22Å |
| 671 | A | 65.6 | Low | 59.5 | Low | 65 Ų | 65 | 100.7 Ų | 100.7 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S667 V668 T669 N673 | S667-A671 PolarHBondContact O-N 3.09Å; V668-A671 PolarHBondContact O-N 3.09Å; T669-A671 VanDerWaalsContact C-N 3.32Å; T669-A671 PolarHBondContact O-N 3.12Å; A671-N673 PolarHBondContact O-N 2.78Å |
| 672 | K | 55.1 | Low | 57.7 | Low | 166 Ų | 166 | 104.6 Ų | 104.6 | 72% | 0.722 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.1 | -33.9 | 179.9 | -87.6 | -174.8 | 173.7 | 178.6 | 0 | 113.5 | V668 N674 | V668-K672 PolarHBondContact O-N 3.28Å; K672-N674 VanDerWaalsContact C-N 3.33Å; K672-N674 PolarHBondContact O-N 2.89Å |
| 673 | N | 56 | Low | 55.6 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 37% | 0.369 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -23 | -174 | -79.3 | -75.9 | 0 | 0 | 0 | 114 | T669 A671 V675 R1781 | T669-N673 PolarHBondContact O-ND2 3.36Å; A671-N673 PolarHBondContact O-N 2.78Å; N673-V675 VanDerWaalsContact C-N 3.34Å; N673-V675 PolarHBondContact O-N 3.29Å; N673-R1781 PolarHBondContact ND2-NH1 3.49Å; N673-R1781 VanDerWaalsContact ND2-NH1 3.16Å |
| 674 | N | 52.2 | Low | 53.7 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.1 | -179.7 | -90.2 | -58.6 | 0 | 0 | 0 | 115 | K672 | K672-N674 VanDerWaalsContact C-N 3.33Å; K672-N674 PolarHBondContact O-N 2.89Å |
| 675 | V | 50.7 | Low | 51.7 | Low | 106 Ų | 106 | 114 Ų | 114 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -36.6 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | N673 N677 | N673-V675 VanDerWaalsContact C-N 3.34Å; N673-V675 PolarHBondContact O-N 3.29Å; V675-N677 PolarHBondContact O-N 3.41Å |
| 676 | N | 47.8 | Very low | 49.7 | Very low | 139 Ų | 139 | 116.9 Ų | 116.9 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -79.5 | -15.1 | -170.6 | -72.3 | 3.3 | 0 | 0 | 0 | 114.9 | N678 | N676-N678 PolarHBondContact O-N 3.29Š|
| 677 | N | 48.2 | Very low | 47.7 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -86.1 | 0.1 | -172.3 | -81.3 | 1.9 | 0 | 0 | 0 | 115.6 | V675 | V675-N677 PolarHBondContact O-N 3.41Š|
| 678 | N | 43.4 | Very low | 45.7 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -95 | 2.7 | -168.8 | -76.1 | -31.9 | 0 | 0 | 0 | 116.3 | N676 | N676-N678 PolarHBondContact O-N 3.29Š|
| 679 | N | 40.9 | Very low | 43.7 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | trans | -114.1 | 18.9 | -165.6 | -84.7 | 4.1 | 0 | 0 | 0 | 116.7 | ||||
| 680 | N | 39.4 | Very low | 41.8 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -135 | 87.9 | 175.7 | -94.4 | -36.2 | 0 | 0 | 0 | 114.5 | ||
| 681 | N | 34.2 | Very low | 40 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | trans | 45.1 | 112.5 | 139.2 | -62.5 | -33 | 0 | 0 | 0 | 122.5 | ||||
| 682 | N | 35.5 | Very low | 38.2 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | 61.6 | 114.2 | 122.9 | -51.4 | -21.9 | 0 | 0 | 0 | 120.9 | |||||
| 683 | G | 33.6 | Very low | 36.9 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | trans | 177.2 | 80.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 684 | D | 35.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 25.8 | 92 | 161.3 | -64.5 | -34.9 | 0 | 0 | 0 | 123.2 | ||||
| 685 | L | 31.7 | Very low | 34.1 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | 35 | 140 | 113.8 | -143.7 | 75.1 | 0 | 0 | 0 | 123.1 | |||||
| 686 | K | 28.3 | Very low | 32.9 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | 81.4 | 94.7 | 164.6 | -52.3 | -178.3 | -176.8 | 170.5 | 0 | 116.3 | ||||
| 687 | N | 29.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | -163.2 | 145.2 | 74.6 | -92.4 | -33.6 | 0 | 0 | 0 | 114.4 | |||||
| 688 | T | 26.9 | Very low | 30.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | 37.9 | 84.2 | 142.1 | -46.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 689 | Q | 27.3 | Very low | 30.4 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 39.8 | 120.7 | 81.8 | -66.3 | -165.9 | 19.3 | 0 | 0 | 114.5 | |||||
| 690 | T | 27.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -154.9 | 143 | 4.8 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 691 | G | 29.7 | Very low | 29.1 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 68.6 | 132.1 | 138 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 692 | K | 28.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | cis | -138 | 112.1 | -6 | -70.3 | 176.5 | 177.7 | 173.8 | 0 | 106.2 | Q346 | Q346-K692 PolarHBondContact NE2-O 2.72Š| ||
| 693 | F | 27.3 | Very low | 28.3 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -113.4 | 155.9 | -171.3 | -117.6 | -123.6 | 0 | 0 | 0 | 110.3 | ||||
| 694 | V | 26.2 | Very low | 27.9 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 58% | 0.576 | 73% | 0.728 | S | S | * | * | trans | 69.5 | 118.7 | 157.7 | 169.6 | 0 | 0 | 0 | 0 | 113.7 | N696 | V694-N696 HydrophobicContact CG1-CB 4.29Å; V694-N696 WeakPolarHBondContact CG1-O 3.38Å | ||
| 695 | N | 24.2 | Very low | 27.4 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | cis | 61.5 | -178.6 | 41.9 | -55.1 | -19.6 | 0 | 0 | 0 | 112.8 | Y697 | N695-Y697 PolarHBondContact O-N 2.77Š| ||
| 696 | N | 24.2 | Very low | 27 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 48% | 0.481 | 72% | 0.722 | S | S | . | * | trans | 38.4 | 77.5 | 136.7 | -62.4 | 8.2 | 0 | 0 | 0 | 118.2 | V694 H698 | V694-N696 HydrophobicContact CG1-CB 4.29Å; V694-N696 WeakPolarHBondContact CG1-O 3.38Å; N696-H698 HydrophobicContact CB-CB 3.83Å; N696-H698 PolarHBondContact ND2-CE1 3.41Å; N696-H698 PolarHBondContact ND2-ND1 2.92Å | ||
| 697 | Y | 22.4 | Very low | 26.7 | Very low | 238 Ų | 238 | 140.6 Ų | 140.6 | 93% | 0.933 | 73% | 0.726 | S | S | * | * | -87.3 | 106.3 | 97.8 | -78.6 | -87.5 | 0 | 0 | 0 | 105.3 | N695 | N695-Y697 PolarHBondContact O-N 2.77Š| |||
| 698 | H | 25 | Very low | 26.7 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | cis | 74.1 | 120.3 | 26.9 | -120.5 | 41 | 0 | 0 | 0 | 114.2 | N696 | N696-H698 HydrophobicContact CB-CB 3.83Å; N696-H698 PolarHBondContact ND2-CE1 3.41Å; N696-H698 PolarHBondContact ND2-ND1 2.92Å | ||
| 699 | K | 39.5 | Very low | 26.5 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | -49.1 | 154.6 | 163.9 | -65 | 176.9 | 150.8 | -152.5 | 0 | 110.6 | N701 | K699-N701 PolarHBondContact NZ-OD1 3.08Š| ||
| 700 | P | 25.7 | Very low | 26.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | -114.7 | 156 | 84.2 | 40.9 | -39.2 | 0 | 0 | 0 | 110.4 | |||||
| 701 | N | 27.2 | Very low | 26.3 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | cis | 59.9 | 160.4 | 38.7 | -83.1 | 40.9 | 0 | 0 | 0 | 112.9 | K699 | K699-N701 PolarHBondContact NZ-OD1 3.08Š| ||
| 702 | V | 27 | Very low | 26.2 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | 70.3 | 126.2 | 171.9 | -169.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 703 | H | 27 | Very low | 26 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | cis | -163.1 | -162.7 | -21 | -125.6 | -91.8 | 0 | 0 | 0 | 105.9 | ||||
| 704 | D | 24.7 | Very low | 26 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | 14.8 | 140.8 | 132.8 | -42.3 | -19.9 | 0 | 0 | 0 | 118.1 | ||||
| 705 | T | 24.9 | Very low | 26.1 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | cis | -161 | 172.9 | 20.3 | -11.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 706 | E | 23 | Very low | 26.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -29.1 | 156.2 | 156 | -53 | 164 | 120.5 | 0 | 0 | 118.1 | ||||
| 707 | F | 22.4 | Very low | 26.4 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | 116.1 | 116.2 | 124.6 | -139.7 | -111.1 | 0 | 0 | 0 | 119.1 | |||||
| 708 | S | 28.6 | Very low | 26.6 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | trans | 48.9 | 126.2 | 144.2 | -166.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 709 | S | 23.6 | Very low | 26.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | -157.7 | 129.3 | 126.9 | -85.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 710 | N | 23.1 | Very low | 26.5 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -70.9 | 137.2 | 150.8 | -83.4 | -56.4 | 0 | 0 | 0 | 108.8 | ||||
| 711 | A | 26.8 | Very low | 26.6 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | 76.9 | 151.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 712 | I | 28 | Very low | 26.8 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | 85.4 | 92.1 | 145 | -70.8 | 156.9 | 0 | 0 | 0 | 119.4 | ||||
| 713 | R | 26.1 | Very low | 26.9 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | 73.6 | 149.2 | 118.7 | -77.7 | -173.8 | 171.5 | 158.2 | -3.6 | 122.6 | |||||
| 714 | N | 26.6 | Very low | 26.9 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 74.8 | 142.5 | 142 | -77.5 | 24.7 | 0 | 0 | 0 | 119.2 | ||||
| 715 | T | 27.7 | Very low | 27.2 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | cis | -175.2 | 151.8 | -28.9 | 14.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 716 | N | 27.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 67.3 | 162.7 | 151.8 | -63.9 | 23.5 | 0 | 0 | 0 | 117.5 | ||||
| 717 | E | 28.4 | Very low | 27.6 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | cis | -159.9 | 164.6 | -23.3 | -109.6 | 170.8 | 142.4 | 0 | 0 | 111.6 | ||||
| 718 | M | 26.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | trans | 16.5 | 123.2 | 146.9 | -51.5 | 178.4 | -165.5 | 0 | 0 | 121.5 | ||||
| 719 | N | 31.3 | Very low | 27.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | 158.8 | 128 | 106.7 | -83.1 | -58.8 | 0 | 0 | 0 | 109.6 | |||||
| 720 | K | 30 | Very low | 27.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | cis | 77.2 | 147.9 | 36.2 | -151.7 | -177.8 | -173.1 | 179.6 | 0 | 112.6 | ||||
| 721 | N | 29 | Very low | 27.8 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | trans | 87 | 140.8 | 173 | -59.8 | -15.6 | 0 | 0 | 0 | 116.6 | ||||
| 722 | I | 30.4 | Very low | 27.8 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | cis | -165.3 | 160.6 | -13.7 | -130.9 | 162.6 | 0 | 0 | 0 | 112.9 | ||||
| 723 | T | 29.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 56.7 | 146.4 | 166.3 | 50.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 724 | G | 26.7 | Very low | 27.6 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | cis | 129.6 | 108 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 725 | V | 31.2 | Very low | 27.6 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -143.9 | 111.5 | 164.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 726 | Q | 28 | Very low | 27.6 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 68% | 0.683 | S | S | * | * | trans | 45.6 | 112 | 141.2 | -61.4 | 172.9 | -17.2 | 0 | 0 | 120 | ||||
| 727 | K | 27.1 | Very low | 27.6 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | 79.6 | 127.1 | 97.6 | -71.9 | -168.3 | 171.4 | -171.3 | 0 | 113.6 | |||||
| 728 | D | 26.4 | Very low | 27.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | cis | -158.3 | 151.7 | 0.6 | -102.1 | -39 | 0 | 0 | 0 | 109 | ||||
| 729 | N | 26.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | cis | -143.5 | 155.9 | -3 | -160.7 | -63.1 | 0 | 0 | 0 | 109.8 | ||||
| 730 | F | 25 | Very low | 27.2 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 58% | 0.575 | 68% | 0.68 | S | S | * | * | trans | -157.6 | 115.9 | 171.5 | 172.3 | -96.6 | 0 | 0 | 0 | 109 | F732 | F730-F732 HydrophobicContact CD1-CB 3.98Å; F730-F732 HydrophobicContact CD1-CD2 4.45Å; F730-F732 HydrophobicContact CD1-CG 4.27Å; F730-F732 HydrophobicContact CE1-CB 3.66Å; F730-F732 HydrophobicContact CE1-CD1 4.23Å; F730-F732 AromaticContact CE1-CD2 3.35Å; F730-F732 HydrophobicContact CE1-CD2 3.35Å; F730-F732 AromaticContact CE1-CE2 3.93Å; F730-F732 HydrophobicContact CE1-CE2 3.93Å; F730-F732 AromaticContact CE1-CG 3.52Å; F730-F732 HydrophobicContact CE1-CG 3.52Å; F730-F732 HydrophobicContact CZ-CB 4.2Å; F730-F732 AromaticContact CZ-CD2 3.42Å; F730-F732 HydrophobicContact CZ-CD2 3.42Å; F730-F732 VanDerWaalsContact CZ-CD2 3.42Å; F730-F732 AromaticContact CZ-CE2 3.96Å; F730-F732 HydrophobicContact CZ-CE2 3.96Å; F730-F732 HydrophobicContact CZ-CG 4.04Å | ||
| 731 | M | 25.3 | Very low | 26.9 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 84% | 0.842 | 67% | 0.665 | S | S | * | * | trans | -149.4 | 112.3 | 172.4 | -176 | -173.9 | -71.4 | 0 | 0 | 106.9 | ||||
| 732 | F | 26.3 | Very low | 26.8 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | cis | 85.7 | 98.7 | 20.3 | -151.5 | -117 | 0 | 0 | 0 | 115.8 | F730 | F730-F732 HydrophobicContact CD1-CB 3.98Å; F730-F732 HydrophobicContact CD1-CD2 4.45Å; F730-F732 HydrophobicContact CD1-CG 4.27Å; F730-F732 HydrophobicContact CE1-CB 3.66Å; F730-F732 HydrophobicContact CE1-CD1 4.23Å; F730-F732 AromaticContact CE1-CD2 3.35Å; F730-F732 HydrophobicContact CE1-CD2 3.35Å; F730-F732 AromaticContact CE1-CE2 3.93Å; F730-F732 HydrophobicContact CE1-CE2 3.93Å; F730-F732 AromaticContact CE1-CG 3.52Å; F730-F732 HydrophobicContact CE1-CG 3.52Å; F730-F732 HydrophobicContact CZ-CB 4.2Å; F730-F732 AromaticContact CZ-CD2 3.42Å; F730-F732 HydrophobicContact CZ-CD2 3.42Å; F730-F732 VanDerWaalsContact CZ-CD2 3.42Å; F730-F732 AromaticContact CZ-CE2 3.96Å; F730-F732 HydrophobicContact CZ-CE2 3.96Å; F730-F732 HydrophobicContact CZ-CG 4.04Å | ||
| 733 | R | 25.1 | Very low | 26.7 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 67% | 0.672 | 65% | 0.651 | S | S | * | * | trans | 68.2 | 92.6 | 131.7 | -168.3 | -175.6 | -175.8 | 169.4 | 3.6 | 119 | ||||
| 734 | H | 25.9 | Very low | 26.5 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | trans | -138.2 | 141.7 | 136.8 | -95.6 | 32.4 | 0 | 0 | 0 | 107.2 | ||||
| 735 | M | 26.7 | Very low | 26.5 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | cis | -151.7 | 162.1 | -12 | -144 | -166.7 | -70.9 | 0 | 0 | 109 | Q1761 V1762 | M735-Q1761 PolarHBondContact O-NE2 2.94Å; M735-V1762 WeakPolarHBondContact O-CG1 3.45Å | ||
| 736 | T | 26.8 | Very low | 26.4 | Very low | 62 Ų | 62 | 127.1 Ų | 127.1 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | trans | -100.7 | 175.7 | -178.5 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | Q1761 | T736-Q1761 PolarHBondContact O-OE1 3.14Š| ||
| 737 | N | 28.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | trans | 98.4 | 98.1 | 164.1 | -46.8 | -3.1 | 0 | 0 | 0 | 118.1 | K1760 Q1761 | N737-K1760 PolarHBondContact O-NZ 3.26Å; N737-Q1761 VanDerWaalsContact C-OE1 3.32Å; N737-Q1761 PolarHBondContact O-OE1 3.45Å | ||
| 738 | L | 29 | Very low | 26.6 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | -173.9 | -170.7 | 111.6 | -101.2 | 150.9 | 0 | 0 | 0 | 108.7 | I1759 K1760 | L738-I1759 HydrophobicContact CB-CG2 3.45Å; L738-I1759 VanDerWaalsContact CB-CG2 3.45Å; L738-K1760 HydrophobicContact CB-CB 4.35Å | |||
| 739 | N | 24.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 78% | 0.781 | 61% | 0.61 | S | S | * | * | trans | -133.9 | 142.3 | 175.2 | -32.2 | -68.8 | 0 | 0 | 0 | 111.1 | I1759 | N739-I1759 CarbonylContact C-O 3.59Å; N739-I1759 VanDerWaalsContact C-O 3.3Å; N739-I1759 VanDerWaalsContact CA-O 3.26Å; N739-I1759 WeakPolarHBondContact CA-O 3.49Å | ||
| 740 | F | 23.7 | Very low | 26.9 | Very low | 152 Ų | 152 | 116.1 Ų | 116.1 | 67% | 0.667 | 59% | 0.591 | S | S | * | * | trans | -160.6 | -157 | 142.7 | -163.4 | -130.1 | 0 | 0 | 0 | 109.9 | D1757 E1758 I1759 | F740-D1757 WeakPolarHBondContact CD1-O 3.27Å; F740-E1758 CarbonylContact C-O 3.55Å; F740-E1758 VanDerWaalsContact CA-O 3.29Å; F740-E1758 WeakPolarHBondContact CA-O 2.96Å; F740-E1758 WeakPolarHBondContact CB-O 3.45Å; F740-E1758 PolarHBondContact N-O 2.83Å; F740-I1759 HydrophobicContact CB-CB 4.12Å; F740-I1759 PolarHBondContact N-O 2.96Å | ||
| 741 | T | 24.2 | Very low | 27.1 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | trans | -94.1 | -162.8 | -166.3 | 44.2 | 0 | 0 | 0 | 0 | 115.1 | D1757 E1758 | T741-D1757 CarbonylContact C-O 3.3Å; T741-D1757 VanDerWaalsContact C-O 3.3Å; T741-D1757 CarbonylContact O-C 3.47Å; T741-D1757 PolarHBondContact OG1-O 2.67Å; T741-E1758 PolarHBondContact N-O 3.04Å; T741-E1758 CarbonylContact O-C 3.17Å; T741-E1758 WeakPolarHBondContact O-CA 3.46Å; T741-E1758 PolarHBondContact O-N 3.11Å; T741-E1758 VanDerWaalsContact O-O 3.1Å | ||
| 742 | S | 26.2 | Very low | 27.2 | Very low | 54 Ų | 54 | 113.9 Ų | 113.9 | 38% | 0.378 | 58% | 0.584 | S | S | . | * | trans | 85.6 | 150.8 | 171 | 77.1 | 0 | 0 | 0 | 0 | 119.8 | D1757 E1758 | S742-D1757 WeakPolarHBondContact OG-CA 3.46Å; S742-E1758 PolarHBondContact OG-N 3.03Å | ||
| 743 | L | 28.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | trans | 52.8 | 96.3 | 171.1 | -65.7 | 153.3 | 0 | 0 | 0 | 114 | T1756 | L743-T1756 HydrophobicContact CD1-CG2 3.75Å; L743-T1756 HydrophobicContact CD2-CG2 4.4Å; L743-T1756 HydrophobicContact CG-CG2 3.99Å | ||
| 744 | E | 26.4 | Very low | 27.3 | Very low | 156 Ų | 156 | 102.8 Ų | 102.8 | 73% | 0.729 | 56% | 0.557 | S | S | * | * | cis | 50.7 | 117 | 31.9 | -163.1 | 161.4 | -142.7 | 0 | 0 | 115.2 | ||||
| 745 | S | 26.4 | Very low | 27.4 | Very low | 53 Ų | 53 | 96.5 Ų | 96.5 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | trans | 71 | 112.3 | 169.3 | 86.6 | 0 | 0 | 0 | 0 | 117.3 | T748 | S745-T748 WeakPolarHBondContact CA-OG1 3.32Š| ||
| 746 | D | 28.6 | Very low | 27.4 | Very low | 141 Ų | 141 | 99.3 Ų | 99.3 | 75% | 0.754 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -141.5 | -53 | 153.5 | -142.1 | -20.9 | 0 | 0 | 0 | 110 | A749 K1989 | D746-A749 WeakPolarHBondContact O-CB 3.22Å; D746-A749 PolarHBondContact O-N 3.5Å; D746-K1989 PolarHBondContact O-NZ 3.18Å |
| 747 | D | 29.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 77% | 0.77 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -81.7 | -20.4 | 164.9 | -98.7 | -43.7 | 0 | 0 | 0 | 114.2 | K1989 | D747-K1989 VanDerWaalsContact O-CD 3.31Å; D747-K1989 WeakPolarHBondContact O-CD 3.01Å; D747-K1989 VanDerWaalsContact O-CE 3.27Å; D747-K1989 WeakPolarHBondContact O-CE 3.17Å; D747-K1989 PolarHBondContact O-NZ 3.41Å; D747-K1989 IonicContact OD1-NZ 2.73Å |
| 748 | T | 30.4 | Very low | 27.7 | Very low | 94 Ų | 94 | 106.8 Ų | 106.8 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -86 | -9 | 162.4 | 44 | 0 | 0 | 0 | 0 | 114.1 | S745 K750 L751 | S745-T748 WeakPolarHBondContact CA-OG1 3.32Å; T748-K750 PolarHBondContact O-N 2.97Å; T748-L751 PolarHBondContact O-N 2.96Å; T748-L751 VanDerWaalsContact O-N 3.13Å |
| 749 | A | 29.5 | Very low | 28.7 | Very low | 48 Ų | 48 | 104.8 Ų | 104.8 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | 20.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D746 | D746-A749 WeakPolarHBondContact O-CB 3.22Å; D746-A749 PolarHBondContact O-N 3.5Å |
| 750 | K | 28.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 105 Ų | 105 | 30% | 0.304 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.6 | 56.3 | 165.7 | -85.3 | -160.7 | -88.7 | 179.3 | 0 | 108.1 | T748 D1988 K1989 Y1991 | T748-K750 PolarHBondContact O-N 2.97Å; K750-D1988 VanDerWaalsContact C-CB 3.41Å; K750-D1988 WeakPolarHBondContact CA-OD2 3.25Å; K750-D1988 HydrophobicContact CB-CB 4.16Å; K750-D1988 VanDerWaalsContact CB-OD1 3.26Å; K750-D1988 WeakPolarHBondContact CB-OD1 3.2Å; K750-D1988 VanDerWaalsContact CD-OD1 3.23Å; K750-D1988 WeakPolarHBondContact CD-OD1 3.2Å; K750-D1988 WeakPolarHBondContact CG-OD1 3.33Å; K750-D1988 CarbonylContact O-C 3.43Å; K750-D1988 WeakPolarHBondContact O-CB 3.36Å; K750-K1989 HydrophobicContact CB-CB 3.82Å; K750-K1989 HydrophobicContact CB-CD 3.53Å; K750-K1989 HydrophobicContact CB-CG 3.39Å; K750-K1989 HydrophobicContact CD-CG 4.14Å; K750-K1989 HydrophobicContact CG-CG 4.28Å; K750-K1989 WeakPolarHBondContact O-CB 3.35Å; K750-K1989 PolarHBondContact O-N 2.87Å; K750-K1989 VanDerWaalsContact O-N 3.12Å; K750-Y1991 PolarHBondContact NZ-O 2.78Å |
| 751 | L | 29.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -142.9 | 17 | 162.9 | -125 | 135.5 | 0 | 0 | 0 | 113.1 | T748 | T748-L751 PolarHBondContact O-N 2.96Å; T748-L751 VanDerWaalsContact O-N 3.13Å |
| 752 | Q | 26.9 | Very low | 34.4 | Very low | 143 Ų | 143 | 101.2 Ų | 101.2 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | trans | -133.9 | 6.4 | 180 | -76.3 | 176.7 | -28.2 | 0 | 0 | 113.3 | S754 | Q752-S754 PolarHBondContact O-N 2.93Š| ||
| 753 | G | 26.1 | Very low | 36.6 | Very low | 48 Ų | 48 | 100.5 Ų | 100.5 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | trans | -67.1 | 51 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 754 | S | 27.8 | Very low | 38.5 | Very low | 24 Ų | 24 | 99.1 Ų | 99.1 | 17% | 0.168 | 55% | 0.552 | C | S | . | * | trans | -97.7 | 105.2 | -172.7 | 80.3 | 0 | 0 | 0 | 0 | 110.4 | Q752 K1985 Y1986 | Q752-S754 PolarHBondContact O-N 2.93Å; S754-K1985 VanDerWaalsContact CB-CG 3.48Å; S754-K1985 WeakPolarHBondContact O-CE 3.43Å; S754-Y1986 VanDerWaalsContact CB-N 3.26Å | ||
| 755 | T | 27.7 | Very low | 40.8 | Very low | 38 Ų | 38 | 97.5 Ų | 97.5 | 23% | 0.233 | 54% | 0.541 | C | S | . | . | S | Bend | trans | 56.3 | 91.5 | -178.6 | -60.3 | 0 | 0 | 0 | 0 | 114.6 | A1984 K1985 | T755-A1984 HydrophobicContact CG2-CB 4Å; T755-A1984 VanDerWaalsContact OG1-C 3.23Å; T755-A1984 WeakPolarHBondContact OG1-CB 3.46Å; T755-K1985 WeakPolarHBondContact OG1-CA 3.45Å; T755-K1985 WeakPolarHBondContact OG1-CB 3.17Å; T755-K1985 VanDerWaalsContact OG1-CG 3.25Å; T755-K1985 WeakPolarHBondContact OG1-CG 3.34Å; T755-K1985 PolarHBondContact OG1-N 2.96Å |
| 756 | Q | 27.9 | Very low | 43 | Very low | 174 Ų | 174 | 97.9 Ų | 97.9 | 81% | 0.813 | 54% | 0.543 | S | S | * | . | -163.7 | 172.4 | 108.8 | -106.9 | 169.4 | 22.3 | 0 | 0 | 111.4 | Q758 | Q756-Q758 PolarHBondContact O-N 3.03Š| |||
| 757 | I | 28.7 | Very low | 45.1 | Very low | 155 Ų | 155 | 91.2 Ų | 91.2 | 80% | 0.795 | 51% | 0.507 | S | S | * | . | trans | -90.5 | 96.2 | -172.4 | -57 | 169 | 0 | 0 | 0 | 109.3 | ||||
| 758 | Q | 31.7 | Very low | 47.2 | Very low | 180 Ų | 180 | 88.4 Ų | 88.4 | 84% | 0.841 | 49% | 0.491 | S | S | * | . | trans | -134.2 | 139.3 | 165.3 | -66.3 | -168.6 | 2.8 | 0 | 0 | 110.3 | Q756 | Q756-Q758 PolarHBondContact O-N 3.03Š| ||
| 759 | G | 50.5 | Low | 49.1 | Very low | 62 Ų | 62 | 92 Ų | 92 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | trans | -77 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 760 | K | 57.7 | Low | 51.5 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -55 | 152.3 | 169.2 | -61 | 178.8 | -167.3 | 156.3 | 0 | 110.3 | H782 N786 | K760-H782 PolarHBondContact O-CE1 3.11Å; K760-H782 PolarHBondContact O-NE2 2.94Å; K760-H782 VanDerWaalsContact O-NE2 3.11Å; K760-N786 VanDerWaalsContact CD-OD1 3.3Å; K760-N786 WeakPolarHBondContact CD-OD1 3.42Å |
| 761 | P | 64.2 | Low | 53.9 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 75% | 0.747 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 140.1 | 172.6 | 29.8 | -33.3 | 0 | 0 | 0 | 111.5 | L763 | P761-L763 PolarHBondContact O-N 3.3Š|
| 762 | V | 71.3 | Confident | 56 | Low | 36 Ų | 36 | 89.8 Ų | 89.8 | 22% | 0.218 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 129.6 | 171.2 | -178 | 0 | 0 | 0 | 0 | 109.3 | P773 H782 | V762-P773 HydrophobicContact CG1-CB 4.18Å; V762-H782 HydrophobicContact CG2-CB 4.05Å |
| 763 | L | 71.8 | Confident | 58.2 | Low | 38 Ų | 38 | 84.6 Ų | 84.6 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 132 | -177.3 | -68.2 | 87.2 | 0 | 0 | 0 | 111.2 | P761 Y765 R778 L843 | P761-L763 PolarHBondContact O-N 3.3Å; L763-Y765 PolarHBondContact O-N 3.5Å; L763-Y765 VanDerWaalsContact O-N 3.12Å; L763-R778 PolarHBondContact O-NH1 2.78Å; L763-R778 PolarHBondContact O-NH2 3.35Å; L763-L843 HydrophobicContact CD1-CD2 3.82Å |
| 764 | P | 69 | Low | 60.7 | Low | 98 Ų | 98 | 87.4 Ų | 87.4 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -70 | -12.2 | -169.4 | 27.4 | -36.2 | 0 | 0 | 0 | 114.9 | P773 | P764-P773 WeakPolarHBondContact O-CG 3.48Š|
| 765 | Y | 74 | Confident | 63.2 | Low | 123 Ų | 123 | 88.5 Ų | 88.5 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -75.9 | 142 | 175.4 | -49 | -75.8 | 0 | 0 | 0 | 111.2 | L763 S767 R778 H848 | L763-Y765 PolarHBondContact O-N 3.5Å; L763-Y765 VanDerWaalsContact O-N 3.12Å; Y765-S767 PolarHBondContact O-N 2.91Å; Y765-R778 PolarHBondContact O-NH1 3.24Å; Y765-R778 PolarHBondContact O-NH2 3.2Å; Y765-H848 HydrophobicContact CD1-CB 4.5Å; Y765-H848 HydrophobicContact CD2-CB 3.73Å; Y765-H848 AromaticContact CD2-CG 3.88Å; Y765-H848 HydrophobicContact CE2-CB 4.17Å; Y765-H848 HydrophobicContact CG-CB 3.93Å |
| 766 | S | 71.5 | Confident | 65.9 | Low | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 120.8 | 173.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | F771 | S766-F771 WeakPolarHBondContact CA-O 3.44Š|
| 767 | S | 72.9 | Confident | 68.6 | Low | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.007 | 48% | 0.479 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 143.2 | 177.1 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | Y765 F769 I770 F771 R778 I841 | Y765-S767 PolarHBondContact O-N 2.91Å; S767-F769 PolarHBondContact O-N 3.25Å; S767-I770 PolarHBondContact O-N 3.16Å; S767-F771 PolarHBondContact N-O 3.12Å; S767-F771 PolarHBondContact O-N 3.46Å; S767-F771 WeakPolarHBondContact OG-CB 3.28Å; S767-R778 VanDerWaalsContact OG-CD 3.31Å; S767-R778 WeakPolarHBondContact OG-CD 3.42Å; S767-R778 PolarHBondContact OG-NE 3.26Å; S767-I841 WeakPolarHBondContact CB-O 3.38Å; S767-I841 PolarHBondContact OG-O 3.01Å |
| 768 | M | 73.5 | Confident | 71.3 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 42% | 0.419 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 15.1 | -170.7 | -56.3 | -170.9 | -178.5 | 0 | 0 | 115.6 | I770 F771 V840 V845 | M768-I770 HydrophobicContact CB-CD1 4.44Å; M768-I770 PolarHBondContact O-N 3.27Å; M768-I770 VanDerWaalsContact O-N 3.07Å; M768-F771 HydrophobicContact CB-CD2 4.39Å; M768-F771 HydrophobicContact SD-CE2 4.14Å; M768-V840 HydrophobicContact CE-CG1 3.67Å; M768-V845 HydrophobicContact CG-CG2 4.26Å |
| 769 | F | 71.5 | Confident | 73.7 | Confident | 170 Ų | 170 | 77.3 Ų | 77.3 | 75% | 0.746 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 0.5 | -164.3 | -53.6 | -80.8 | 0 | 0 | 0 | 115.7 | S767 L847 | S767-F769 PolarHBondContact O-N 3.25Å; F769-L847 HydrophobicContact CE1-CD1 4.44Å; F769-L847 HydrophobicContact CE2-CD1 3.53Å; F769-L847 HydrophobicContact CZ-CD1 3.46Å; F769-L847 VanDerWaalsContact CZ-CD1 3.46Å; F769-L847 HydrophobicContact CZ-CD2 4.24Å; F769-L847 HydrophobicContact CZ-CG 4.48Å |
| 770 | I | 79.1 | Confident | 75.5 | Confident | 120 Ų | 120 | 80.6 Ų | 80.6 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -37.9 | -175.4 | -65.3 | 163.6 | 0 | 0 | 0 | 111.2 | S767 M768 | S767-I770 PolarHBondContact O-N 3.16Å; M768-I770 HydrophobicContact CB-CD1 4.44Å; M768-I770 PolarHBondContact O-N 3.27Å; M768-I770 VanDerWaalsContact O-N 3.07Å |
| 771 | F | 78.7 | Confident | 76.9 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -104.6 | 84.8 | -171.6 | -56.9 | -79.7 | 0 | 0 | 0 | 111.7 | S766 S767 M768 I777 R778 I841 | S766-F771 WeakPolarHBondContact CA-O 3.44Å; S767-F771 PolarHBondContact N-O 3.12Å; S767-F771 PolarHBondContact O-N 3.46Å; S767-F771 WeakPolarHBondContact OG-CB 3.28Å; M768-F771 HydrophobicContact CB-CD2 4.39Å; M768-F771 HydrophobicContact SD-CE2 4.14Å; F771-I777 HydrophobicContact CE1-CB 4.39Å; F771-I777 HydrophobicContact CE1-CD1 4.21Å; F771-I777 HydrophobicContact CE1-CG2 4.17Å; F771-R778 HydrophobicContact CB-CB 4.25Å; F771-R778 WeakPolarHBondContact O-CD 3.06Å; F771-R778 PolarHBondContact O-NH1 3.48Å; F771-I841 HydrophobicContact CG-CG2 4.5Å |
| 772 | A | 74.7 | Confident | 78 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | trans | -53.4 | 152.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T774 N775 | A772-T774 PolarHBondContact O-N 3.42Å; A772-N775 VanDerWaalsContact O-CB 3.23Å; A772-N775 WeakPolarHBondContact O-CB 3.16Å; A772-N775 PolarHBondContact O-N 3.49Å | ||
| 773 | P | 72.7 | Confident | 78.7 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.4 | 177.9 | 28.4 | -38.6 | 0 | 0 | 0 | 114.4 | V762 P764 R779 | V762-P773 HydrophobicContact CG1-CB 4.18Å; P764-P773 WeakPolarHBondContact O-CG 3.48Å; P773-R779 PolarHBondContact O-NE 3.5Å; P773-R779 VanDerWaalsContact O-NE 3.11Å |
| 774 | T | 77.1 | Confident | 79.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.4 | 171.2 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | A772 A776 | A772-T774 PolarHBondContact O-N 3.42Å; T774-A776 PolarHBondContact O-N 2.84Å |
| 775 | N | 81.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | trans | -70.7 | 126.6 | -175.1 | -171.1 | -39.5 | 0 | 0 | 0 | 111.3 | A772 I777 R778 R779 | A772-N775 VanDerWaalsContact O-CB 3.23Å; A772-N775 WeakPolarHBondContact O-CB 3.16Å; A772-N775 PolarHBondContact O-N 3.49Å; N775-I777 VanDerWaalsContact C-N 3.29Å; N775-I777 PolarHBondContact O-N 3.21Å; N775-I777 WeakPolarHBondContact OD1-CB 3.2Å; N775-I777 PolarHBondContact OD1-N 3.35Å; N775-R778 PolarHBondContact O-N 3.28Å; N775-R778 VanDerWaalsContact O-N 3.13Å; N775-R779 PolarHBondContact O-N 2.9Å; N775-R779 VanDerWaalsContact O-N 3.1Å | ||
| 776 | A | 84.6 | Confident | 80.7 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.4 | -37.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T774 R778 R779 F780 | T774-A776 PolarHBondContact O-N 2.84Å; A776-R778 VanDerWaalsContact C-N 3.32Å; A776-R778 PolarHBondContact O-N 3.18Å; A776-R779 PolarHBondContact O-N 3.32Å; A776-F780 WeakPolarHBondContact O-CB 3.3Å; A776-F780 PolarHBondContact O-N 3.23Å |
| 777 | I | 84.2 | Confident | 81.3 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 178 | -61.9 | 172.1 | 0 | 0 | 0 | 109.9 | F771 N775 F780 C781 | F771-I777 HydrophobicContact CE1-CB 4.39Å; F771-I777 HydrophobicContact CE1-CD1 4.21Å; F771-I777 HydrophobicContact CE1-CG2 4.17Å; N775-I777 VanDerWaalsContact C-N 3.29Å; N775-I777 PolarHBondContact O-N 3.21Å; N775-I777 WeakPolarHBondContact OD1-CB 3.2Å; N775-I777 PolarHBondContact OD1-N 3.35Å; I777-F780 WeakPolarHBondContact O-CB 3.32Å; I777-F780 PolarHBondContact O-N 3.2Å; I777-C781 PolarHBondContact O-N 2.94Å; I777-C781 PolarHBondContact O-SG 2.85Å |
| 778 | R | 84.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -39.4 | -178.6 | -173.1 | 170.5 | 175.1 | -139.1 | -9.4 | 112.4 | L763 Y765 S767 F771 N775 A776 F780 C781 H782 I841 D842 | L763-R778 PolarHBondContact O-NH1 2.78Å; L763-R778 PolarHBondContact O-NH2 3.35Å; Y765-R778 PolarHBondContact O-NH1 3.24Å; Y765-R778 PolarHBondContact O-NH2 3.2Å; S767-R778 VanDerWaalsContact OG-CD 3.31Å; S767-R778 WeakPolarHBondContact OG-CD 3.42Å; S767-R778 PolarHBondContact OG-NE 3.26Å; F771-R778 HydrophobicContact CB-CB 4.25Å; F771-R778 WeakPolarHBondContact O-CD 3.06Å; F771-R778 PolarHBondContact O-NH1 3.48Å; N775-R778 PolarHBondContact O-N 3.28Å; N775-R778 VanDerWaalsContact O-N 3.13Å; A776-R778 VanDerWaalsContact C-N 3.32Å; A776-R778 PolarHBondContact O-N 3.18Å; R778-F780 VanDerWaalsContact C-N 3.27Å; R778-F780 PolarHBondContact O-N 3.06Å; R778-C781 PolarHBondContact O-N 3.16Å; R778-H782 VanDerWaalsContact O-CB 3.27Å; R778-H782 WeakPolarHBondContact O-CB 3.41Å; R778-H782 PolarHBondContact O-N 3.43Å; R778-I841 HydrophobicContact CB-CG2 4.37Å; R778-I841 WeakPolarHBondContact CD-O 3.39Å; R778-I841 HydrophobicContact CG-CG2 4.45Å; R778-I841 PolarHBondContact NE-O 3.33Å; R778-D842 PolarHBondContact NE-O 3.4Å; R778-D842 PolarHBondContact NH2-O 2.87Å |
| 779 | R | 83.3 | Confident | 82.1 | Confident | 142 Ų | 142 | 79.9 Ų | 79.9 | 54% | 0.536 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 172.4 | -69.9 | -178.4 | 173.6 | -159.4 | -4.8 | 111.9 | P773 N775 A776 F783 | P773-R779 PolarHBondContact O-NE 3.5Å; P773-R779 VanDerWaalsContact O-NE 3.11Å; N775-R779 PolarHBondContact O-N 2.9Å; N775-R779 VanDerWaalsContact O-N 3.1Å; A776-R779 PolarHBondContact O-N 3.32Å; R779-F783 WeakPolarHBondContact O-CB 3.23Å; R779-F783 PolarHBondContact O-N 2.88Å |
| 780 | F | 87.8 | Confident | 82.7 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.1 | -47.9 | 173.7 | 178.6 | -98.9 | 0 | 0 | 0 | 112.4 | A776 I777 R778 H782 F783 V784 | A776-F780 WeakPolarHBondContact O-CB 3.3Å; A776-F780 PolarHBondContact O-N 3.23Å; I777-F780 WeakPolarHBondContact O-CB 3.32Å; I777-F780 PolarHBondContact O-N 3.2Å; R778-F780 VanDerWaalsContact C-N 3.27Å; R778-F780 PolarHBondContact O-N 3.06Å; F780-H782 VanDerWaalsContact C-N 3.34Å; F780-H782 PolarHBondContact O-N 3.39Å; F780-F783 WeakPolarHBondContact O-CB 3.29Å; F780-F783 PolarHBondContact O-N 3.35Å; F780-V784 HydrophobicContact CD1-CG2 4.42Å; F780-V784 HydrophobicContact CE1-CG2 4Å; F780-V784 HydrophobicContact CE2-CG2 4.22Å; F780-V784 HydrophobicContact CZ-CG2 3.9Å; F780-V784 WeakPolarHBondContact O-CG2 3.31Å; F780-V784 PolarHBondContact O-N 3.17Å |
| 781 | C | 88.2 | Confident | 82.6 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 175.1 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | I777 R778 F783 V784 V785 L838 I841 | I777-C781 PolarHBondContact O-N 2.94Å; I777-C781 PolarHBondContact O-SG 2.85Å; R778-C781 PolarHBondContact O-N 3.16Å; C781-F783 PolarHBondContact O-N 3.05Å; C781-V784 PolarHBondContact O-N 3.03Å; C781-V785 WeakPolarHBondContact O-CB 3.49Å; C781-V785 VanDerWaalsContact O-CG2 3.31Å; C781-V785 WeakPolarHBondContact O-CG2 3.16Å; C781-V785 PolarHBondContact O-N 3.36Å; C781-L838 HydrophobicContact CB-CD2 4.21Å; C781-I841 HydrophobicContact CB-CB 4.36Å; C781-I841 HydrophobicContact CB-CG2 4.07Å |
| 782 | H | 85.7 | Confident | 82.8 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 175.2 | 175.7 | -85.6 | 0 | 0 | 0 | 112.7 | K760 V762 R778 F780 N786 D842 | K760-H782 PolarHBondContact O-CE1 3.11Å; K760-H782 PolarHBondContact O-NE2 2.94Å; K760-H782 VanDerWaalsContact O-NE2 3.11Å; V762-H782 HydrophobicContact CG2-CB 4.05Å; R778-H782 VanDerWaalsContact O-CB 3.27Å; R778-H782 WeakPolarHBondContact O-CB 3.41Å; R778-H782 PolarHBondContact O-N 3.43Å; F780-H782 VanDerWaalsContact C-N 3.34Å; F780-H782 PolarHBondContact O-N 3.39Å; H782-N786 PolarHBondContact CD2-ND2 3.08Å; H782-N786 PolarHBondContact CE1-ND2 3.49Å; H782-N786 PolarHBondContact NE2-ND2 2.94Å; H782-N786 VanDerWaalsContact NE2-ND2 3.17Å; H782-N786 PolarHBondContact O-N 3.16Å; H782-N786 PolarHBondContact O-ND2 3.45Å; H782-D842 HydrophobicContact CB-CB 4.46Å; H782-D842 WeakPolarHBondContact CB-OD1 3.33Å; H782-D842 IonicContact CD2-OD1 2.76Å; H782-D842 PolarHBondContact CD2-OD1 3Å; H782-D842 VanDerWaalsContact CD2-OD1 3.3Å; H782-D842 IonicContact CD2-OD2 3.18Å; H782-D842 PolarHBondContact CD2-OD2 3.49Å; H782-D842 IonicContact CG-OD1 3.72Å; H782-D842 IonicContact CG-OD2 2.77Å |
| 783 | F | 86.6 | Confident | 83.4 | Confident | 125 Ų | 125 | 77.5 Ų | 77.5 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 174.4 | 171.7 | -100.7 | 0 | 0 | 0 | 111.1 | R779 F780 C781 V785 N786 L787 | R779-F783 WeakPolarHBondContact O-CB 3.23Å; R779-F783 PolarHBondContact O-N 2.88Å; F780-F783 WeakPolarHBondContact O-CB 3.29Å; F780-F783 PolarHBondContact O-N 3.35Å; C781-F783 PolarHBondContact O-N 3.05Å; F783-V785 PolarHBondContact O-N 2.93Å; F783-N786 PolarHBondContact O-N 3.18Å; F783-L787 HydrophobicContact CE1-CD1 4.23Å; F783-L787 HydrophobicContact CE1-CD2 4.42Å; F783-L787 HydrophobicContact CE2-CD2 4.34Å; F783-L787 HydrophobicContact CZ-CD2 4.04Å; F783-L787 PolarHBondContact O-N 3.26Å |
| 784 | V | 88.2 | Confident | 83.9 | Confident | 26 Ų | 26 | 76 Ų | 76 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | F780 C781 N786 L787 F790 L838 | F780-V784 HydrophobicContact CD1-CG2 4.42Å; F780-V784 HydrophobicContact CE1-CG2 4Å; F780-V784 HydrophobicContact CE2-CG2 4.22Å; F780-V784 HydrophobicContact CZ-CG2 3.9Å; F780-V784 WeakPolarHBondContact O-CG2 3.31Å; F780-V784 PolarHBondContact O-N 3.17Å; C781-V784 PolarHBondContact O-N 3.03Å; V784-N786 VanDerWaalsContact C-N 3.28Å; V784-N786 PolarHBondContact O-N 3.17Å; V784-L787 WeakPolarHBondContact O-CB 3.24Å; V784-L787 PolarHBondContact O-N 3.44Å; V784-F790 HydrophobicContact CG1-CD2 3.88Å; V784-F790 HydrophobicContact CG1-CE2 4.08Å; V784-F790 WeakPolarHBondContact O-CB 3.25Å; V784-L838 HydrophobicContact CG1-CD1 3.98Å |
| 785 | V | 84.9 | Confident | 83.9 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.1 | -28.7 | -177.6 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | C781 F783 F790 L838 K839 | C781-V785 WeakPolarHBondContact O-CB 3.49Å; C781-V785 VanDerWaalsContact O-CG2 3.31Å; C781-V785 WeakPolarHBondContact O-CG2 3.16Å; C781-V785 PolarHBondContact O-N 3.36Å; F783-V785 PolarHBondContact O-N 2.93Å; V785-F790 HydrophobicContact CG2-CE1 4.37Å; V785-L838 HydrophobicContact CG2-CB 3.97Å; V785-K839 HydrophobicContact CG1-CG 4.27Å; V785-K839 HydrophobicContact CG2-CG 4.25Å |
| 786 | N | 83.4 | Confident | 84.1 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.6 | 178.2 | -72.8 | -81.5 | 0 | 0 | 0 | 114.4 | K760 H782 F783 V784 R788 | K760-N786 VanDerWaalsContact CD-OD1 3.3Å; K760-N786 WeakPolarHBondContact CD-OD1 3.42Å; H782-N786 PolarHBondContact CD2-ND2 3.08Å; H782-N786 PolarHBondContact CE1-ND2 3.49Å; H782-N786 PolarHBondContact NE2-ND2 2.94Å; H782-N786 VanDerWaalsContact NE2-ND2 3.17Å; H782-N786 PolarHBondContact O-N 3.16Å; H782-N786 PolarHBondContact O-ND2 3.45Å; F783-N786 PolarHBondContact O-N 3.18Å; V784-N786 VanDerWaalsContact C-N 3.28Å; V784-N786 PolarHBondContact O-N 3.17Å; N786-R788 PolarHBondContact O-N 3.33Å |
| 787 | L | 84.3 | Confident | 84.2 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | trans | -70.4 | 124.7 | 173.2 | -71.6 | 172.2 | 0 | 0 | 0 | 110.7 | F783 V784 Y789 F790 D791 | F783-L787 HydrophobicContact CE1-CD1 4.23Å; F783-L787 HydrophobicContact CE1-CD2 4.42Å; F783-L787 HydrophobicContact CE2-CD2 4.34Å; F783-L787 HydrophobicContact CZ-CD2 4.04Å; F783-L787 PolarHBondContact O-N 3.26Å; V784-L787 WeakPolarHBondContact O-CB 3.24Å; V784-L787 PolarHBondContact O-N 3.44Å; L787-Y789 PolarHBondContact O-N 3.35Å; L787-F790 HydrophobicContact CB-CB 4.01Å; L787-F790 WeakPolarHBondContact O-CA 3.39Å; L787-F790 VanDerWaalsContact O-CB 3.31Å; L787-F790 WeakPolarHBondContact O-CB 3.42Å; L787-F790 PolarHBondContact O-N 2.78Å; L787-D791 PolarHBondContact O-N 3.43Å | ||
| 788 | R | 79.2 | Confident | 84.1 | Confident | 221 Ų | 221 | 69.2 Ų | 69.2 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -53.4 | -30 | 172.9 | -174.8 | 176.9 | 178.1 | -178.2 | -0.3 | 113.1 | N786 L792 | N786-R788 PolarHBondContact O-N 3.33Å; R788-L792 PolarHBondContact O-N 2.82Å |
| 789 | Y | 83.1 | Confident | 83.9 | Confident | 161 Ų | 161 | 72 Ų | 72 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.8 | -29.8 | 174.8 | -63 | -73.8 | 0 | 0 | 0 | 113.6 | L787 L792 F793 | L787-Y789 PolarHBondContact O-N 3.35Å; Y789-L792 PolarHBondContact O-N 2.73Å; Y789-F793 WeakPolarHBondContact O-CB 3.3Å; Y789-F793 PolarHBondContact O-N 3.15Å |
| 790 | F | 85.7 | Confident | 84 | Confident | 30 Ų | 30 | 67 Ų | 67 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 175.4 | 179.8 | -99 | 0 | 0 | 0 | 110.5 | V784 V785 L787 L792 F793 I794 E835 L838 | V784-F790 HydrophobicContact CG1-CD2 3.88Å; V784-F790 HydrophobicContact CG1-CE2 4.08Å; V784-F790 WeakPolarHBondContact O-CB 3.25Å; V785-F790 HydrophobicContact CG2-CE1 4.37Å; L787-F790 HydrophobicContact CB-CB 4.01Å; L787-F790 WeakPolarHBondContact O-CA 3.39Å; L787-F790 VanDerWaalsContact O-CB 3.31Å; L787-F790 WeakPolarHBondContact O-CB 3.42Å; L787-F790 PolarHBondContact O-N 2.78Å; F790-L792 PolarHBondContact O-N 2.76Å; F790-F793 PolarHBondContact O-N 3.02Å; F790-I794 HydrophobicContact CE1-CG1 4.3Å; F790-I794 HydrophobicContact CE2-CG1 4.48Å; F790-I794 HydrophobicContact CZ-CG1 4.27Å; F790-I794 WeakPolarHBondContact O-CB 3.31Å; F790-I794 WeakPolarHBondContact O-CG1 3.35Å; F790-I794 PolarHBondContact O-N 2.78Å; F790-E835 HydrophobicContact CE1-CG 4.36Å; F790-E835 HydrophobicContact CZ-CB 4.5Å; F790-E835 HydrophobicContact CZ-CG 4.05Å; F790-L838 HydrophobicContact CE2-CD1 4.04Å; F790-L838 HydrophobicContact CZ-CD1 4.26Å |
| 791 | D | 76.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 173 | -94.6 | -46.3 | 0 | 0 | 0 | 111.9 | L787 I794 M795 R912 | L787-D791 PolarHBondContact O-N 3.43Å; D791-I794 PolarHBondContact O-N 2.91Å; D791-M795 PolarHBondContact O-N 3.45Å; D791-R912 PolarHBondContact O-NH1 3.46Å; D791-R912 PolarHBondContact O-NH2 3.46Å; D791-R912 VanDerWaalsContact O-NH2 3.09Å; D791-R912 IonicContact OD1-CZ 3.32Å; D791-R912 IonicContact OD1-NE 3.23Å; D791-R912 IonicContact OD1-NH2 2.7Å; D791-R912 PolarHBondContact OD1-NH2 2.72Å |
| 792 | L | 81.3 | Confident | 83.5 | Confident | 84 Ų | 84 | 61 Ų | 61 | 44% | 0.44 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 179.7 | -179.6 | 61.4 | 0 | 0 | 0 | 112.4 | R788 Y789 F790 M795 I796 | R788-L792 PolarHBondContact O-N 2.82Å; Y789-L792 PolarHBondContact O-N 2.73Å; F790-L792 PolarHBondContact O-N 2.76Å; L792-M795 HydrophobicContact CD1-CE 4.08Å; L792-M795 WeakPolarHBondContact O-CA 3.2Å; L792-M795 VanDerWaalsContact O-CB 3.22Å; L792-M795 WeakPolarHBondContact O-CB 3.09Å; L792-M795 PolarHBondContact O-N 3.4Å; L792-M795 VanDerWaalsContact O-N 3.11Å; L792-I796 HydrophobicContact CD1-CD1 4.35Å; L792-I796 HydrophobicContact CG-CD1 4.17Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 3.48Å |
| 793 | F | 87.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 65.5 Ų | 65.5 | 48% | 0.482 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 176.2 | 172.5 | -103.4 | 0 | 0 | 0 | 111.2 | Y789 F790 M795 I796 V797 V831 | Y789-F793 WeakPolarHBondContact O-CB 3.3Å; Y789-F793 PolarHBondContact O-N 3.15Å; F790-F793 PolarHBondContact O-N 3.02Å; F793-M795 PolarHBondContact O-N 3.34Å; F793-I796 PolarHBondContact O-N 3.14Å; F793-I796 VanDerWaalsContact O-N 3.11Å; F793-V797 HydrophobicContact CD1-CG2 4.41Å; F793-V797 HydrophobicContact CD2-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 4.03Å; F793-V797 HydrophobicContact CE2-CG2 4.01Å; F793-V797 HydrophobicContact CZ-CG2 3.81Å; F793-V797 WeakPolarHBondContact O-CG2 3.47Å; F793-V797 PolarHBondContact O-N 3.07Å; F793-V831 HydrophobicContact CE1-CG1 3.88Å; F793-V831 HydrophobicContact CZ-CG1 4.43Å |
| 794 | I | 84.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -34.4 | 175 | -67.8 | -62.9 | 0 | 0 | 0 | 111 | F790 D791 V797 I798 V831 E835 | F790-I794 HydrophobicContact CE1-CG1 4.3Å; F790-I794 HydrophobicContact CE2-CG1 4.48Å; F790-I794 HydrophobicContact CZ-CG1 4.27Å; F790-I794 WeakPolarHBondContact O-CB 3.31Å; F790-I794 WeakPolarHBondContact O-CG1 3.35Å; F790-I794 PolarHBondContact O-N 2.78Å; D791-I794 PolarHBondContact O-N 2.91Å; I794-V797 PolarHBondContact O-N 2.77Å; I794-I798 HydrophobicContact CG2-CD1 3.79Å; I794-I798 HydrophobicContact CG2-CG1 4.49Å; I794-I798 WeakPolarHBondContact O-CD1 3.37Å; I794-I798 WeakPolarHBondContact O-CG1 3.41Å; I794-I798 PolarHBondContact O-N 3.11Å; I794-V831 HydrophobicContact CD1-CG1 4.03Å; I794-E835 HydrophobicContact CD1-CB 4.1Å; I794-E835 HydrophobicContact CD1-CG 4.06Å; I794-E835 HydrophobicContact CG1-CG 4.35Å |
| 795 | M | 77.6 | Confident | 83 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.3 | -153.2 | 177.6 | 78.1 | 0 | 0 | 112.4 | D791 L792 F793 V797 I798 C799 R912 | D791-M795 PolarHBondContact O-N 3.45Å; L792-M795 HydrophobicContact CD1-CE 4.08Å; L792-M795 WeakPolarHBondContact O-CA 3.2Å; L792-M795 VanDerWaalsContact O-CB 3.22Å; L792-M795 WeakPolarHBondContact O-CB 3.09Å; L792-M795 PolarHBondContact O-N 3.4Å; L792-M795 VanDerWaalsContact O-N 3.11Å; F793-M795 PolarHBondContact O-N 3.34Å; M795-V797 VanDerWaalsContact C-N 3.33Å; M795-V797 PolarHBondContact O-N 3.4Å; M795-I798 WeakPolarHBondContact O-CB 3.24Å; M795-I798 PolarHBondContact O-N 3.45Å; M795-C799 PolarHBondContact O-N 3.13Å; M795-C799 PolarHBondContact O-SG 3.11Å; M795-C799 VanDerWaalsContact O-SG 3.35Å; M795-R912 VanDerWaalsContact CB-NH1 3.29Å |
| 796 | I | 84.8 | Confident | 83 | Confident | 100 Ų | 100 | 59 Ų | 59 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | -179.7 | -65.5 | 165 | 0 | 0 | 0 | 110.3 | L792 F793 C799 A800 | L792-I796 HydrophobicContact CD1-CD1 4.35Å; L792-I796 HydrophobicContact CG-CD1 4.17Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 3.48Å; F793-I796 PolarHBondContact O-N 3.14Å; F793-I796 VanDerWaalsContact O-N 3.11Å; I796-C799 PolarHBondContact O-N 2.81Å; I796-A800 WeakPolarHBondContact O-CB 3.41Å; I796-A800 PolarHBondContact O-N 2.73Å |
| 797 | V | 86.4 | Confident | 83.2 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.085 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 112 | F793 I794 M795 S801 F828 V831 F832 | F793-V797 HydrophobicContact CD1-CG2 4.41Å; F793-V797 HydrophobicContact CD2-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 4.03Å; F793-V797 HydrophobicContact CE2-CG2 4.01Å; F793-V797 HydrophobicContact CZ-CG2 3.81Å; F793-V797 WeakPolarHBondContact O-CG2 3.47Å; F793-V797 PolarHBondContact O-N 3.07Å; I794-V797 PolarHBondContact O-N 2.77Å; M795-V797 VanDerWaalsContact C-N 3.33Å; M795-V797 PolarHBondContact O-N 3.4Å; V797-S801 WeakPolarHBondContact O-CB 3.43Å; V797-S801 PolarHBondContact O-N 2.88Å; V797-F828 HydrophobicContact CG1-CD1 3.85Å; V797-F828 HydrophobicContact CG1-CE1 4.45Å; V797-V831 HydrophobicContact CG1-CB 4.47Å; V797-V831 HydrophobicContact CG1-CG1 4.15Å; V797-V831 HydrophobicContact CG2-CG1 4.47Å; V797-F832 HydrophobicContact CG1-CE1 4.14Å; V797-F832 HydrophobicContact CG1-CE2 4.23Å; V797-F832 HydrophobicContact CG1-CZ 3.75Å |
| 798 | I | 82.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.3 | -69.5 | 153.7 | 0 | 0 | 0 | 111 | I794 M795 S801 S802 F832 R905 K908 | I794-I798 HydrophobicContact CG2-CD1 3.79Å; I794-I798 HydrophobicContact CG2-CG1 4.49Å; I794-I798 WeakPolarHBondContact O-CD1 3.37Å; I794-I798 WeakPolarHBondContact O-CG1 3.41Å; I794-I798 PolarHBondContact O-N 3.11Å; M795-I798 WeakPolarHBondContact O-CB 3.24Å; M795-I798 PolarHBondContact O-N 3.45Å; I798-S801 PolarHBondContact O-N 2.87Å; I798-S802 WeakPolarHBondContact O-CB 3.28Å; I798-S802 PolarHBondContact O-N 2.82Å; I798-S802 PolarHBondContact O-OG 2.85Å; I798-F832 HydrophobicContact CG1-CE1 3.84Å; I798-F832 HydrophobicContact CG1-CZ 3.88Å; I798-R905 HydrophobicContact CG2-CB 4.12Å; I798-K908 HydrophobicContact CD1-CB 4.04Å; I798-K908 HydrophobicContact CD1-CD 3.27Å; I798-K908 HydrophobicContact CD1-CG 4.26Å; I798-K908 HydrophobicContact CG1-CD 4.15Å |
| 799 | C | 80.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | M795 I796 S801 S802 I803 | M795-C799 PolarHBondContact O-N 3.13Å; M795-C799 PolarHBondContact O-SG 3.11Å; M795-C799 VanDerWaalsContact O-SG 3.35Å; I796-C799 PolarHBondContact O-N 2.81Å; C799-S801 PolarHBondContact O-N 3.38Å; C799-S802 PolarHBondContact O-N 3.04Å; C799-S802 VanDerWaalsContact O-N 3.08Å; C799-I803 WeakPolarHBondContact O-CG1 3.23Å; C799-I803 PolarHBondContact O-N 3.34Å |
| 800 | A | 85.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 41 Ų | 41 | 31% | 0.314 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I796 S802 I803 A804 F828 | I796-A800 WeakPolarHBondContact O-CB 3.41Å; I796-A800 PolarHBondContact O-N 2.73Å; A800-S802 PolarHBondContact O-N 2.8Å; A800-I803 PolarHBondContact O-N 3Å; A800-A804 WeakPolarHBondContact O-CB 3.49Å; A800-A804 PolarHBondContact O-N 3.46Å; A800-F828 HydrophobicContact CB-CE1 4.11Å; A800-F828 HydrophobicContact CB-CZ 3.87Å |
| 801 | S | 83.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -26.3 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 113.4 | V797 I798 C799 L805 R905 | V797-S801 WeakPolarHBondContact O-CB 3.43Å; V797-S801 PolarHBondContact O-N 2.88Å; I798-S801 PolarHBondContact O-N 2.87Å; C799-S801 PolarHBondContact O-N 3.38Å; S801-L805 PolarHBondContact O-N 2.95Å; S801-R905 PolarHBondContact OG-NH1 3.44Å |
| 802 | S | 81.5 | Confident | 82.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -83.2 | -40.1 | 179.3 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | I798 C799 A800 A804 L805 A806 P906 | I798-S802 WeakPolarHBondContact O-CB 3.28Å; I798-S802 PolarHBondContact O-N 2.82Å; I798-S802 PolarHBondContact O-OG 2.85Å; C799-S802 PolarHBondContact O-N 3.04Å; C799-S802 VanDerWaalsContact O-N 3.08Å; A800-S802 PolarHBondContact O-N 2.8Å; S802-A804 VanDerWaalsContact C-N 3.28Å; S802-A804 PolarHBondContact O-N 3.47Å; S802-L805 PolarHBondContact O-N 2.83Å; S802-A806 PolarHBondContact O-N 3.27Å; S802-A806 VanDerWaalsContact O-N 3.07Å; S802-P906 WeakPolarHBondContact OG-CG 3.49Å |
| 803 | I | 84.6 | Confident | 82.4 | Confident | 116 Ų | 116 | 42.7 Ų | 42.7 | 60% | 0.595 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.2 | -36.7 | 170.9 | -66.4 | 163.3 | 0 | 0 | 0 | 110.7 | C799 A800 L805 A806 A807 | C799-I803 WeakPolarHBondContact O-CG1 3.23Å; C799-I803 PolarHBondContact O-N 3.34Å; A800-I803 PolarHBondContact O-N 3Å; I803-L805 VanDerWaalsContact C-N 3.34Å; I803-L805 PolarHBondContact O-N 3.42Å; I803-A806 PolarHBondContact O-N 3.32Å; I803-A807 WeakPolarHBondContact O-CB 3.23Å; I803-A807 PolarHBondContact O-N 3.38Å |
| 804 | A | 85 | Confident | 81.7 | Confident | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A800 S802 A807 E808 L821 F828 | A800-A804 WeakPolarHBondContact O-CB 3.49Å; A800-A804 PolarHBondContact O-N 3.46Å; S802-A804 VanDerWaalsContact C-N 3.28Å; S802-A804 PolarHBondContact O-N 3.47Å; A804-A807 PolarHBondContact O-N 2.95Å; A804-E808 PolarHBondContact O-N 3.28Å; A804-L821 HydrophobicContact CB-CD2 4Å; A804-F828 HydrophobicContact CB-CE2 4Å |
| 805 | L | 81.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 173.6 | -69.1 | 166 | 0 | 0 | 0 | 111.5 | S801 S802 I803 A807 E808 R902 I1275 | S801-L805 PolarHBondContact O-N 2.95Å; S802-L805 PolarHBondContact O-N 2.83Å; I803-L805 VanDerWaalsContact C-N 3.34Å; I803-L805 PolarHBondContact O-N 3.42Å; L805-A807 PolarHBondContact O-N 2.96Å; L805-E808 WeakPolarHBondContact O-CB 3.24Å; L805-E808 PolarHBondContact O-N 3.23Å; L805-E808 VanDerWaalsContact O-N 3.1Å; L805-R902 HydrophobicContact CD1-CB 3.97Å; L805-I1275 HydrophobicContact CB-CD1 4.28Å; L805-I1275 HydrophobicContact CB-CG2 4.32Å |
| 806 | A | 85.3 | Confident | 82.1 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -16.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S802 I803 F1271 I1275 F1301 | S802-A806 PolarHBondContact O-N 3.27Å; S802-A806 VanDerWaalsContact O-N 3.07Å; I803-A806 PolarHBondContact O-N 3.32Å; A806-F1271 HydrophobicContact CB-CE2 4.29Å; A806-I1275 VanDerWaalsContact CA-CD1 3.49Å; A806-I1275 HydrophobicContact CB-CD1 3.96Å; A806-F1301 HydrophobicContact CB-CB 4.47Å; A806-F1301 HydrophobicContact CB-CD1 4.2Å; A806-F1301 HydrophobicContact CB-CD2 3.69Å; A806-F1301 HydrophobicContact CB-CE1 4.35Å; A806-F1301 HydrophobicContact CB-CE2 3.87Å; A806-F1301 HydrophobicContact CB-CG 3.86Å; A806-F1301 HydrophobicContact CB-CZ 4.2Å; A806-F1301 WeakPolarHBondContact O-CB 3.5Å |
| 807 | A | 86.7 | Confident | 82.2 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I803 A804 L805 R817 L821 | I803-A807 WeakPolarHBondContact O-CB 3.23Å; I803-A807 PolarHBondContact O-N 3.38Å; A804-A807 PolarHBondContact O-N 2.95Å; L805-A807 PolarHBondContact O-N 2.96Å; A807-R817 VanDerWaalsContact O-CD 3.25Å; A807-R817 WeakPolarHBondContact O-CD 3.46Å; A807-R817 WeakPolarHBondContact O-CG 3.4Å; A807-R817 PolarHBondContact O-NH1 3.33Å; A807-L821 HydrophobicContact CB-CD1 4.17Å; A807-L821 HydrophobicContact CB-CD2 4.24Å; A807-L821 WeakPolarHBondContact O-CD1 3.29Å |
| 808 | E | 82.5 | Confident | 82.1 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | trans | -64.8 | 151.9 | 177 | -160.4 | 167.8 | -153.7 | 0 | 0 | 111.2 | A804 L805 R817 R899 Q1279 | A804-E808 PolarHBondContact O-N 3.28Å; L805-E808 WeakPolarHBondContact O-CB 3.24Å; L805-E808 PolarHBondContact O-N 3.23Å; L805-E808 VanDerWaalsContact O-N 3.1Å; E808-R817 PolarHBondContact O-NH1 3.01Å; E808-R899 IonicContact OE1-CZ 2.62Å; E808-R899 IonicContact OE1-NH1 3.96Å; E808-R899 PolarHBondContact OE1-NH1 2.95Å; E808-Q1279 PolarHBondContact OE2-NE2 3.04Å | ||
| 809 | D | 83.2 | Confident | 82.2 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | trans | -106.5 | 106.6 | 178.4 | -163.1 | -58.2 | 0 | 0 | 0 | 108.4 | I811 S812 R817 N818 | D809-I811 PolarHBondContact OD1-N 2.67Å; D809-S812 PolarHBondContact OD1-N 2.96Å; D809-S812 VanDerWaalsContact OD1-N 3.11Å; D809-R817 IonicContact OD2-CZ 3.11Å; D809-R817 IonicContact OD2-NE 3.26Å; D809-R817 PolarHBondContact OD2-NE 3.15Å; D809-R817 IonicContact OD2-NH2 3.45Å; D809-R817 PolarHBondContact OD2-NH2 3.47Å; D809-N818 WeakPolarHBondContact CB-OD1 3.37Å; D809-N818 PolarHBondContact N-OD1 3.39Å; D809-N818 PolarHBondContact O-ND2 3.29Å | ||
| 810 | P | 80.3 | Confident | 82.6 | Confident | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -71 | -37.2 | -175.6 | 26.2 | -31.8 | 0 | 0 | 0 | 112.1 | M1278 N1283 Q1299 | P810-M1278 WeakPolarHBondContact CB-O 3.46Å; P810-N1283 PolarHBondContact O-ND2 2.9Å; P810-N1283 PolarHBondContact O-OD1 3.28Å; P810-Q1299 WeakPolarHBondContact CD-O 3.34Å; P810-Q1299 WeakPolarHBondContact CG-O 3.28Å |
| 811 | I | 79.9 | Confident | 82.6 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -67.4 | -44.1 | -173.7 | -49.5 | 175.9 | 0 | 0 | 0 | 111.2 | D809 Q1299 E1331 | D809-I811 PolarHBondContact OD1-N 2.67Å; I811-Q1299 HydrophobicContact CD1-CB 4.2Å; I811-Q1299 HydrophobicContact CD1-CG 4.05Å; I811-Q1299 HydrophobicContact CG1-CG 4.47Å; I811-E1331 HydrophobicContact CG2-CB 4.46Å; I811-E1331 HydrophobicContact CG2-CG 4.47Å |
| 812 | S | 77.1 | Confident | 82.5 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -123.6 | 94.3 | -171.8 | -165.9 | 0 | 0 | 0 | 0 | 113.8 | D809 Q814 S815 N818 | D809-S812 PolarHBondContact OD1-N 2.96Å; D809-S812 VanDerWaalsContact OD1-N 3.11Å; S812-Q814 PolarHBondContact O-N 3.38Å; S812-Q814 VanDerWaalsContact O-N 3.1Å; S812-S815 VanDerWaalsContact O-CB 3.27Å; S812-S815 WeakPolarHBondContact O-CB 3.37Å; S812-S815 PolarHBondContact O-N 3.47Å; S812-S815 PolarHBondContact O-OG 3.02Å; S812-S815 VanDerWaalsContact O-OG 3.1Å; S812-N818 PolarHBondContact O-ND2 2.75Å | ||
| 813 | E | 70.2 | Confident | 82.6 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -32.5 | 174.5 | -65.2 | -165.3 | 175.2 | 0 | 0 | 113.2 | K896 | E813-K896 VanDerWaalsContact OE1-CE 3.28Å; E813-K896 WeakPolarHBondContact OE1-CE 3.34Å; E813-K896 IonicContact OE1-NZ 2.72Å; E813-K896 PolarHBondContact OE1-NZ 2.98Å; E813-K896 WeakPolarHBondContact OE2-CE 3.25Å; E813-K896 IonicContact OE2-NZ 3.43Å; E813-K896 PolarHBondContact OE2-NZ 3.26Å |
| 814 | Q | 73.6 | Confident | 82.8 | Confident | 180 Ų | 180 | 65 Ų | 65 | 84% | 0.841 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 8.4 | -178.8 | -58.9 | -172.6 | 15.8 | 0 | 0 | 113.7 | S812 | S812-Q814 PolarHBondContact O-N 3.38Å; S812-Q814 VanDerWaalsContact O-N 3.1Å |
| 815 | S | 82.9 | Confident | 82.6 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | trans | -59.8 | 147.8 | 177 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | S812 R817 N818 T819 | S812-S815 VanDerWaalsContact O-CB 3.27Å; S812-S815 WeakPolarHBondContact O-CB 3.37Å; S812-S815 PolarHBondContact O-N 3.47Å; S812-S815 PolarHBondContact O-OG 3.02Å; S812-S815 VanDerWaalsContact O-OG 3.1Å; S815-R817 PolarHBondContact O-N 3.3Å; S815-N818 PolarHBondContact O-N 3.18Å; S815-N818 WeakPolarHBondContact OG-CB 3.48Å; S815-N818 VanDerWaalsContact OG-CG 3.29Å; S815-N818 PolarHBondContact OG-N 2.79Å; S815-T819 PolarHBondContact O-N 2.89Å; S815-T819 PolarHBondContact O-OG1 3.03Å | ||
| 816 | K | 88 | Confident | 82.7 | Confident | 185 Ų | 185 | 68.6 Ų | 68.6 | 80% | 0.804 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59 | -31.6 | 173.4 | -67.3 | -179.6 | -179.3 | 175.5 | 0 | 111.4 | I820 | K816-I820 WeakPolarHBondContact O-CD1 3.3Å; K816-I820 VanDerWaalsContact O-CG1 3.29Å; K816-I820 WeakPolarHBondContact O-CG1 3.26Å; K816-I820 PolarHBondContact O-N 2.89Å; K816-I820 VanDerWaalsContact O-N 3.13Å |
| 817 | R | 86.1 | Confident | 82.8 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -59.2 | 172.4 | 178.3 | 158.4 | 69.5 | 124.6 | -14.4 | 110.8 | A807 E808 D809 S815 T819 I820 L821 | A807-R817 VanDerWaalsContact O-CD 3.25Å; A807-R817 WeakPolarHBondContact O-CD 3.46Å; A807-R817 WeakPolarHBondContact O-CG 3.4Å; A807-R817 PolarHBondContact O-NH1 3.33Å; E808-R817 PolarHBondContact O-NH1 3.01Å; D809-R817 IonicContact OD2-CZ 3.11Å; D809-R817 IonicContact OD2-NE 3.26Å; D809-R817 PolarHBondContact OD2-NE 3.15Å; D809-R817 IonicContact OD2-NH2 3.45Å; D809-R817 PolarHBondContact OD2-NH2 3.47Å; S815-R817 PolarHBondContact O-N 3.3Å; R817-T819 VanDerWaalsContact C-N 3.33Å; R817-T819 PolarHBondContact O-N 3.45Å; R817-I820 PolarHBondContact O-N 3.38Å; R817-L821 HydrophobicContact CG-CD1 3.88Å; R817-L821 WeakPolarHBondContact O-CG 3.45Å; R817-L821 PolarHBondContact O-N 3.43Å |
| 818 | N | 83.9 | Confident | 82.8 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 8% | 0.08 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 178.9 | -74.1 | -6.7 | 0 | 0 | 0 | 113.1 | D809 S812 S815 I820 L821 E822 | D809-N818 WeakPolarHBondContact CB-OD1 3.37Å; D809-N818 PolarHBondContact N-OD1 3.39Å; D809-N818 PolarHBondContact O-ND2 3.29Å; S812-N818 PolarHBondContact O-ND2 2.75Å; S815-N818 PolarHBondContact O-N 3.18Å; S815-N818 WeakPolarHBondContact OG-CB 3.48Å; S815-N818 VanDerWaalsContact OG-CG 3.29Å; S815-N818 PolarHBondContact OG-N 2.79Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 PolarHBondContact O-N 3.13Å; N818-L821 PolarHBondContact O-N 3.12Å; N818-E822 WeakPolarHBondContact O-CB 3.43Å; N818-E822 PolarHBondContact O-N 3.2Å |
| 819 | T | 85.1 | Confident | 82.9 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | S815 R817 H823 | S815-T819 PolarHBondContact O-N 2.89Å; S815-T819 PolarHBondContact O-OG1 3.03Å; R817-T819 VanDerWaalsContact C-N 3.33Å; R817-T819 PolarHBondContact O-N 3.45Å; T819-H823 PolarHBondContact O-ND1 2.84Å |
| 820 | I | 88.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 177 | -69.4 | 165.5 | 0 | 0 | 0 | 110.9 | K816 R817 N818 E822 H823 F824 | K816-I820 WeakPolarHBondContact O-CD1 3.3Å; K816-I820 VanDerWaalsContact O-CG1 3.29Å; K816-I820 WeakPolarHBondContact O-CG1 3.26Å; K816-I820 PolarHBondContact O-N 2.89Å; K816-I820 VanDerWaalsContact O-N 3.13Å; R817-I820 PolarHBondContact O-N 3.38Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 PolarHBondContact O-N 3.13Å; I820-E822 PolarHBondContact O-N 3.44Å; I820-H823 PolarHBondContact O-N 2.73Å; I820-F824 HydrophobicContact CG2-CD2 4.11Å; I820-F824 HydrophobicContact CG2-CE2 3.55Å; I820-F824 HydrophobicContact CG2-CZ 4.17Å; I820-F824 PolarHBondContact O-N 3.48Å |
| 821 | L | 86.1 | Confident | 83.5 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 179.1 | -67.1 | 167.6 | 0 | 0 | 0 | 112.4 | A804 A807 R817 N818 H823 F824 D825 | A804-L821 HydrophobicContact CB-CD2 4Å; A807-L821 HydrophobicContact CB-CD1 4.17Å; A807-L821 HydrophobicContact CB-CD2 4.24Å; A807-L821 WeakPolarHBondContact O-CD1 3.29Å; R817-L821 HydrophobicContact CG-CD1 3.88Å; R817-L821 WeakPolarHBondContact O-CG 3.45Å; R817-L821 PolarHBondContact O-N 3.43Å; N818-L821 PolarHBondContact O-N 3.12Å; L821-H823 VanDerWaalsContact C-N 3.25Å; L821-H823 PolarHBondContact O-N 3.13Å; L821-F824 HydrophobicContact CD2-CD2 4.45Å; L821-F824 PolarHBondContact O-N 3.27Å; L821-F824 VanDerWaalsContact O-N 3.12Å; L821-D825 PolarHBondContact O-N 3.02Å |
| 822 | E | 79.5 | Confident | 83.9 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | 176.1 | -169.7 | 177 | 149.4 | 0 | 0 | 111.8 | N818 I820 D825 Y826 R875 | N818-E822 WeakPolarHBondContact O-CB 3.43Å; N818-E822 PolarHBondContact O-N 3.2Å; I820-E822 PolarHBondContact O-N 3.44Å; E822-D825 PolarHBondContact O-N 3.13Å; E822-Y826 HydrophobicContact CG-CD2 4.36Å; E822-Y826 HydrophobicContact CG-CE2 3.59Å; E822-Y826 WeakPolarHBondContact O-CD2 3.18Å; E822-Y826 PolarHBondContact O-N 3.08Å; E822-Y826 VanDerWaalsContact O-N 3.13Å; E822-Y826 PolarHBondContact OE1-OH 3.33Å; E822-R875 IonicContact OE1-CZ 2.74Å; E822-R875 VanDerWaalsContact OE1-CZ 3.3Å; E822-R875 IonicContact OE1-NE 3.6Å; E822-R875 PolarHBondContact OE1-NE 3Å; E822-R875 IonicContact OE1-NH2 2.61Å; E822-R875 PolarHBondContact OE1-NH2 3.47Å; E822-R875 IonicContact OE2-CZ 2.61Å; E822-R875 IonicContact OE2-NH2 2.69Å; E822-R875 PolarHBondContact OE2-NH2 3.32Å |
| 823 | H | 85.2 | Confident | 84.5 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -41.1 | 175.2 | -71.2 | 79.1 | 0 | 0 | 0 | 112.5 | T819 I820 L821 D825 Y826 A827 | T819-H823 PolarHBondContact O-ND1 2.84Å; I820-H823 PolarHBondContact O-N 2.73Å; L821-H823 VanDerWaalsContact C-N 3.25Å; L821-H823 PolarHBondContact O-N 3.13Å; H823-D825 VanDerWaalsContact C-N 3.32Å; H823-Y826 PolarHBondContact O-N 2.94Å; H823-A827 PolarHBondContact O-N 2.89Å |
| 824 | F | 87.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 66.3 Ų | 66.3 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 173.7 | -66.5 | -45.8 | 0 | 0 | 0 | 111.7 | I820 L821 Y826 A827 F828 | I820-F824 HydrophobicContact CG2-CD2 4.11Å; I820-F824 HydrophobicContact CG2-CE2 3.55Å; I820-F824 HydrophobicContact CG2-CZ 4.17Å; I820-F824 PolarHBondContact O-N 3.48Å; L821-F824 HydrophobicContact CD2-CD2 4.45Å; L821-F824 PolarHBondContact O-N 3.27Å; L821-F824 VanDerWaalsContact O-N 3.12Å; F824-Y826 VanDerWaalsContact C-N 3.34Å; F824-Y826 PolarHBondContact O-N 3.34Å; F824-A827 WeakPolarHBondContact O-CB 3.25Å; F824-A827 PolarHBondContact O-N 2.87Å; F824-A827 VanDerWaalsContact O-N 3.13Å; F824-F828 HydrophobicContact CB-CD2 4.38Å; F824-F828 HydrophobicContact CB-CE2 3.85Å; F824-F828 HydrophobicContact CB-CZ 4.26Å; F824-F828 WeakPolarHBondContact O-CD2 3.23Å; F824-F828 VanDerWaalsContact O-CG 3.25Å; F824-F828 WeakPolarHBondContact O-CG 3.44Å; F824-F828 PolarHBondContact O-N 3.32Å |
| 825 | D | 80.9 | Confident | 86.2 | Confident | 16 Ų | 16 | 58 Ų | 58 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.4 | -123.5 | -20.5 | 0 | 0 | 0 | 112.9 | L821 E822 H823 T829 R902 R905 | L821-D825 PolarHBondContact O-N 3.02Å; E822-D825 PolarHBondContact O-N 3.13Å; H823-D825 VanDerWaalsContact C-N 3.32Å; D825-T829 VanDerWaalsContact O-CB 3.25Å; D825-T829 WeakPolarHBondContact O-CB 3.46Å; D825-T829 PolarHBondContact O-N 2.7Å; D825-T829 PolarHBondContact O-OG1 3.46Å; D825-R902 IonicContact OD1-CZ 2.78Å; D825-R902 IonicContact OD1-NH1 3.56Å; D825-R902 PolarHBondContact OD1-NH1 2.79Å; D825-R902 VanDerWaalsContact OD1-NH1 3.13Å; D825-R902 IonicContact OD2-CZ 2.88Å; D825-R902 IonicContact OD2-NH1 3.64Å; D825-R902 PolarHBondContact OD2-NH1 3.48Å; D825-R905 IonicContact OD1-NH1 3.55Å |
| 826 | Y | 83.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 169.8 | -66.1 | -45.1 | 0 | 0 | 0 | 111.9 | E822 H823 F824 T829 G830 F872 R875 | E822-Y826 HydrophobicContact CG-CD2 4.36Å; E822-Y826 HydrophobicContact CG-CE2 3.59Å; E822-Y826 WeakPolarHBondContact O-CD2 3.18Å; E822-Y826 PolarHBondContact O-N 3.08Å; E822-Y826 VanDerWaalsContact O-N 3.13Å; E822-Y826 PolarHBondContact OE1-OH 3.33Å; H823-Y826 PolarHBondContact O-N 2.94Å; F824-Y826 VanDerWaalsContact C-N 3.34Å; F824-Y826 PolarHBondContact O-N 3.34Å; Y826-T829 PolarHBondContact O-N 3.48Å; Y826-G830 PolarHBondContact O-N 3.07Å; Y826-F872 AromaticContact CD1-CD2 3.91Å; Y826-F872 HydrophobicContact CD1-CD2 3.91Å; Y826-F872 HydrophobicContact CD1-CE2 4.37Å; Y826-F872 AromaticContact CE1-CD2 3.66Å; Y826-F872 HydrophobicContact CE1-CD2 3.66Å; Y826-F872 HydrophobicContact CE1-CE2 4.28Å; Y826-R875 PolarHBondContact OH-NE 3.5Å |
| 827 | A | 88.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | H823 F824 T829 G830 V831 | H823-A827 PolarHBondContact O-N 2.89Å; F824-A827 WeakPolarHBondContact O-CB 3.25Å; F824-A827 PolarHBondContact O-N 2.87Å; F824-A827 VanDerWaalsContact O-N 3.13Å; A827-T829 PolarHBondContact O-N 2.91Å; A827-G830 PolarHBondContact O-N 3.45Å; A827-V831 PolarHBondContact O-N 3.22Å |
| 828 | F | 87.4 | Confident | 86.6 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.2 | -61.5 | -38.2 | 0 | 0 | 0 | 111.9 | V797 A800 A804 F824 G830 V831 F832 | V797-F828 HydrophobicContact CG1-CD1 3.85Å; V797-F828 HydrophobicContact CG1-CE1 4.45Å; A800-F828 HydrophobicContact CB-CE1 4.11Å; A800-F828 HydrophobicContact CB-CZ 3.87Å; A804-F828 HydrophobicContact CB-CE2 4Å; F824-F828 HydrophobicContact CB-CD2 4.38Å; F824-F828 HydrophobicContact CB-CE2 3.85Å; F824-F828 HydrophobicContact CB-CZ 4.26Å; F824-F828 WeakPolarHBondContact O-CD2 3.23Å; F824-F828 VanDerWaalsContact O-CG 3.25Å; F824-F828 WeakPolarHBondContact O-CG 3.44Å; F824-F828 PolarHBondContact O-N 3.32Å; F828-G830 VanDerWaalsContact C-N 3.29Å; F828-G830 PolarHBondContact O-N 3.09Å; F828-V831 PolarHBondContact O-N 2.89Å; F828-F832 HydrophobicContact CB-CD2 4.42Å; F828-F832 HydrophobicContact CB-CE2 4.11Å; F828-F832 WeakPolarHBondContact O-CD2 3.38Å; F828-F832 PolarHBondContact O-N 2.99Å |
| 829 | T | 83.2 | Confident | 86.8 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -37.2 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | D825 Y826 A827 T833 A868 | D825-T829 VanDerWaalsContact O-CB 3.25Å; D825-T829 WeakPolarHBondContact O-CB 3.46Å; D825-T829 PolarHBondContact O-N 2.7Å; D825-T829 PolarHBondContact O-OG1 3.46Å; Y826-T829 PolarHBondContact O-N 3.48Å; A827-T829 PolarHBondContact O-N 2.91Å; T829-T833 WeakPolarHBondContact O-CB 3.29Å; T829-T833 PolarHBondContact O-N 2.94Å; T829-T833 PolarHBondContact O-OG1 2.98Å; T829-A868 HydrophobicContact CG2-CB 3.63Å |
| 830 | G | 87.6 | Confident | 87 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y826 A827 F828 F832 T833 I834 | Y826-G830 PolarHBondContact O-N 3.07Å; A827-G830 PolarHBondContact O-N 3.45Å; F828-G830 VanDerWaalsContact C-N 3.29Å; F828-G830 PolarHBondContact O-N 3.09Å; G830-F832 PolarHBondContact O-N 3.37Å; G830-T833 PolarHBondContact O-N 3.15Å; G830-I834 WeakPolarHBondContact O-CG1 3.21Å; G830-I834 PolarHBondContact O-N 2.93Å |
| 831 | V | 90.1 | Very high | 86.9 | Confident | 42 Ų | 42 | 45 Ų | 45 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.6 | -46 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | F793 I794 V797 A827 F828 T833 I834 E835 | F793-V831 HydrophobicContact CE1-CG1 3.88Å; F793-V831 HydrophobicContact CZ-CG1 4.43Å; I794-V831 HydrophobicContact CD1-CG1 4.03Å; V797-V831 HydrophobicContact CG1-CB 4.47Å; V797-V831 HydrophobicContact CG1-CG1 4.15Å; V797-V831 HydrophobicContact CG2-CG1 4.47Å; A827-V831 PolarHBondContact O-N 3.22Å; F828-V831 PolarHBondContact O-N 2.89Å; V831-T833 VanDerWaalsContact C-N 3.33Å; V831-T833 PolarHBondContact O-N 3.49Å; V831-I834 PolarHBondContact O-N 3.46Å; V831-E835 PolarHBondContact O-N 2.92Å |
| 832 | F | 87.4 | Confident | 86.8 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.5 | -30 | 178 | -64.1 | -54.8 | 0 | 0 | 0 | 113 | V797 I798 F828 G830 I834 E835 L836 V865 | V797-F832 HydrophobicContact CG1-CE1 4.14Å; V797-F832 HydrophobicContact CG1-CE2 4.23Å; V797-F832 HydrophobicContact CG1-CZ 3.75Å; I798-F832 HydrophobicContact CG1-CE1 3.84Å; I798-F832 HydrophobicContact CG1-CZ 3.88Å; F828-F832 HydrophobicContact CB-CD2 4.42Å; F828-F832 HydrophobicContact CB-CE2 4.11Å; F828-F832 WeakPolarHBondContact O-CD2 3.38Å; F828-F832 PolarHBondContact O-N 2.99Å; G830-F832 PolarHBondContact O-N 3.37Å; F832-I834 VanDerWaalsContact C-N 3.34Å; F832-E835 WeakPolarHBondContact CD1-OE2 3.35Å; F832-E835 PolarHBondContact O-N 3.18Å; F832-L836 WeakPolarHBondContact O-CB 3.35Å; F832-L836 PolarHBondContact O-N 3.41Å; F832-V865 HydrophobicContact CB-CG2 3.63Å |
| 833 | T | 88.7 | Confident | 87 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -38 | 172 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | T829 G830 V831 I837 L869 | T829-T833 WeakPolarHBondContact O-CB 3.29Å; T829-T833 PolarHBondContact O-N 2.94Å; T829-T833 PolarHBondContact O-OG1 2.98Å; G830-T833 PolarHBondContact O-N 3.15Å; V831-T833 VanDerWaalsContact C-N 3.33Å; V831-T833 PolarHBondContact O-N 3.49Å; T833-I837 HydrophobicContact CG2-CD1 4.01Å; T833-I837 VanDerWaalsContact O-CG1 3.28Å; T833-I837 WeakPolarHBondContact O-CG1 3.26Å; T833-I837 PolarHBondContact O-N 3.21Å; T833-L869 HydrophobicContact CG2-CD1 4.22Å |
| 834 | I | 90.8 | Very high | 86.9 | Confident | 101 Ų | 101 | 37.6 Ų | 37.6 | 52% | 0.518 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.8 | -41.2 | 173.9 | -64.5 | 165.1 | 0 | 0 | 0 | 110.9 | G830 V831 F832 L836 I837 L838 | G830-I834 WeakPolarHBondContact O-CG1 3.21Å; G830-I834 PolarHBondContact O-N 2.93Å; V831-I834 PolarHBondContact O-N 3.46Å; F832-I834 VanDerWaalsContact C-N 3.34Å; I834-L836 VanDerWaalsContact C-N 3.35Å; I834-L836 PolarHBondContact O-N 3.44Å; I834-I837 PolarHBondContact O-N 3.04Å; I834-L838 HydrophobicContact CG2-CD1 3.86Å; I834-L838 HydrophobicContact CG2-CG 4.23Å; I834-L838 WeakPolarHBondContact O-CB 3.22Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.15Å; I834-L838 PolarHBondContact O-N 3.35Å |
| 835 | E | 88.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.7 | -49.9 | 173 | -171 | -163.4 | 164.2 | 0 | 0 | 111.1 | F790 I794 V831 F832 L838 K839 K908 | F790-E835 HydrophobicContact CE1-CG 4.36Å; F790-E835 HydrophobicContact CZ-CB 4.5Å; F790-E835 HydrophobicContact CZ-CG 4.05Å; I794-E835 HydrophobicContact CD1-CB 4.1Å; I794-E835 HydrophobicContact CD1-CG 4.06Å; I794-E835 HydrophobicContact CG1-CG 4.35Å; V831-E835 PolarHBondContact O-N 2.92Å; F832-E835 WeakPolarHBondContact CD1-OE2 3.35Å; F832-E835 PolarHBondContact O-N 3.18Å; E835-L838 PolarHBondContact O-N 2.91Å; E835-K839 HydrophobicContact CG-CD 4.28Å; E835-K839 WeakPolarHBondContact O-CB 3.24Å; E835-K839 WeakPolarHBondContact O-CG 3.42Å; E835-K839 PolarHBondContact O-N 3.33Å; E835-K839 WeakPolarHBondContact OE1-CE 3.46Å; E835-K839 IonicContact OE1-NZ 3.5Å; E835-K839 PolarHBondContact OE1-NZ 3.33Å; E835-K908 VanDerWaalsContact CD-NZ 3.3Å; E835-K908 IonicContact OE1-NZ 3.95Å; E835-K908 PolarHBondContact OE1-NZ 3.09Å; E835-K908 IonicContact OE2-NZ 2.68Å; E835-K908 PolarHBondContact OE2-NZ 3.39Å |
| 836 | L | 88 | Confident | 86.6 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 177.4 | 173 | 62.7 | 0 | 0 | 0 | 111.7 | F832 I834 L838 K839 V840 Y852 A862 V865 | F832-L836 WeakPolarHBondContact O-CB 3.35Å; F832-L836 PolarHBondContact O-N 3.41Å; I834-L836 VanDerWaalsContact C-N 3.35Å; I834-L836 PolarHBondContact O-N 3.44Å; L836-L838 PolarHBondContact O-N 3.46Å; L836-K839 PolarHBondContact O-N 2.76Å; L836-V840 HydrophobicContact CD1-CG2 3.81Å; L836-V840 WeakPolarHBondContact O-CB 3.17Å; L836-V840 VanDerWaalsContact O-CG2 3.23Å; L836-V840 WeakPolarHBondContact O-CG2 3.5Å; L836-V840 PolarHBondContact O-N 2.91Å; L836-Y852 HydrophobicContact CD1-CD1 4.38Å; L836-Y852 HydrophobicContact CD1-CE1 3.48Å; L836-Y852 VanDerWaalsContact CD1-CE1 3.48Å; L836-Y852 HydrophobicContact CD1-CE2 4.26Å; L836-Y852 VanDerWaalsContact CD1-CZ 3.4Å; L836-Y852 VanDerWaalsContact CD1-OH 3.26Å; L836-Y852 WeakPolarHBondContact CD1-OH 3.43Å; L836-A862 HydrophobicContact CD1-CB 4.1Å; L836-V865 HydrophobicContact CD2-CB 4.09Å; L836-V865 HydrophobicContact CD2-CG1 3.71Å |
| 837 | I | 89.9 | Confident | 86.2 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | -178.4 | -70 | 166.3 | 0 | 0 | 0 | 111.3 | T833 I834 V840 I841 | T833-I837 HydrophobicContact CG2-CD1 4.01Å; T833-I837 VanDerWaalsContact O-CG1 3.28Å; T833-I837 WeakPolarHBondContact O-CG1 3.26Å; T833-I837 PolarHBondContact O-N 3.21Å; I834-I837 PolarHBondContact O-N 3.04Å; I837-V840 PolarHBondContact O-N 2.81Å; I837-I841 HydrophobicContact CG2-CD1 3.76Å; I837-I841 HydrophobicContact CG2-CG1 4.49Å; I837-I841 WeakPolarHBondContact O-CG1 3.34Å; I837-I841 PolarHBondContact O-N 2.86Å |
| 838 | L | 89.5 | Confident | 85.6 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 178.5 | -71.6 | 172.9 | 0 | 0 | 0 | 111.8 | C781 V784 V785 F790 I834 E835 L836 I841 D842 | C781-L838 HydrophobicContact CB-CD2 4.21Å; V784-L838 HydrophobicContact CG1-CD1 3.98Å; V785-L838 HydrophobicContact CG2-CB 3.97Å; F790-L838 HydrophobicContact CE2-CD1 4.04Å; F790-L838 HydrophobicContact CZ-CD1 4.26Å; I834-L838 HydrophobicContact CG2-CD1 3.86Å; I834-L838 HydrophobicContact CG2-CG 4.23Å; I834-L838 WeakPolarHBondContact O-CB 3.22Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.15Å; I834-L838 PolarHBondContact O-N 3.35Å; E835-L838 PolarHBondContact O-N 2.91Å; L836-L838 PolarHBondContact O-N 3.46Å; L838-I841 PolarHBondContact O-N 2.91Å; L838-D842 PolarHBondContact O-N 2.95Å |
| 839 | K | 87.9 | Confident | 84.8 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.8 | -72.9 | -179.3 | 175.1 | 176.6 | 0 | 112.3 | V785 E835 L836 D842 L843 Y852 N858 D861 | V785-K839 HydrophobicContact CG1-CG 4.27Å; V785-K839 HydrophobicContact CG2-CG 4.25Å; E835-K839 HydrophobicContact CG-CD 4.28Å; E835-K839 WeakPolarHBondContact O-CB 3.24Å; E835-K839 WeakPolarHBondContact O-CG 3.42Å; E835-K839 PolarHBondContact O-N 3.33Å; E835-K839 WeakPolarHBondContact OE1-CE 3.46Å; E835-K839 IonicContact OE1-NZ 3.5Å; E835-K839 PolarHBondContact OE1-NZ 3.33Å; L836-K839 PolarHBondContact O-N 2.76Å; K839-D842 PolarHBondContact O-N 2.97Å; K839-L843 VanDerWaalsContact O-CB 3.27Å; K839-L843 WeakPolarHBondContact O-CB 3.36Å; K839-L843 PolarHBondContact O-N 2.99Å; K839-Y852 HydrophobicContact CB-CD2 3.69Å; K839-Y852 HydrophobicContact CB-CE2 3.54Å; K839-Y852 HydrophobicContact CD-CD2 4.41Å; K839-Y852 HydrophobicContact CD-CE2 3.68Å; K839-Y852 HydrophobicContact CG-CE2 4.3Å; K839-N858 PolarHBondContact NZ-OD1 3.12Å; K839-N858 VanDerWaalsContact NZ-OD1 3.13Å; K839-D861 IonicContact NZ-OD2 4Å; K839-D861 PolarHBondContact NZ-OD2 3.08Å; K839-D861 VanDerWaalsContact NZ-OD2 3.16Å |
| 840 | V | 87.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.3 | -28.9 | -180 | 175 | 0 | 0 | 0 | 0 | 112.5 | M768 L836 I837 G844 V845 Y852 | M768-V840 HydrophobicContact CE-CG1 3.67Å; L836-V840 HydrophobicContact CD1-CG2 3.81Å; L836-V840 WeakPolarHBondContact O-CB 3.17Å; L836-V840 VanDerWaalsContact O-CG2 3.23Å; L836-V840 WeakPolarHBondContact O-CG2 3.5Å; L836-V840 PolarHBondContact O-N 2.91Å; I837-V840 PolarHBondContact O-N 2.81Å; V840-G844 WeakPolarHBondContact O-CA 3.42Å; V840-G844 PolarHBondContact O-N 2.72Å; V840-V845 HydrophobicContact CG1-CG2 3.83Å; V840-Y852 HydrophobicContact CG2-CD1 3.69Å; V840-Y852 HydrophobicContact CG2-CD2 3.88Å; V840-Y852 HydrophobicContact CG2-CE1 4.1Å; V840-Y852 HydrophobicContact CG2-CE2 4.26Å; V840-Y852 HydrophobicContact CG2-CG 3.58Å |
| 841 | I | 87.2 | Confident | 83.8 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.3 | -41.1 | 171.5 | -69.1 | 167.1 | 0 | 0 | 0 | 110.8 | S767 F771 R778 C781 I837 L838 | S767-I841 WeakPolarHBondContact CB-O 3.38Å; S767-I841 PolarHBondContact OG-O 3.01Å; F771-I841 HydrophobicContact CG-CG2 4.5Å; R778-I841 HydrophobicContact CB-CG2 4.37Å; R778-I841 WeakPolarHBondContact CD-O 3.39Å; R778-I841 HydrophobicContact CG-CG2 4.45Å; R778-I841 PolarHBondContact NE-O 3.33Å; C781-I841 HydrophobicContact CB-CB 4.36Å; C781-I841 HydrophobicContact CB-CG2 4.07Å; I837-I841 HydrophobicContact CG2-CD1 3.76Å; I837-I841 HydrophobicContact CG2-CG1 4.49Å; I837-I841 WeakPolarHBondContact O-CG1 3.34Å; I837-I841 PolarHBondContact O-N 2.86Å; L838-I841 PolarHBondContact O-N 2.91Å |
| 842 | D | 85.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.2 | -59.6 | 177.5 | -177.7 | 23.9 | 0 | 0 | 0 | 112.4 | R778 H782 L838 K839 | R778-D842 PolarHBondContact NE-O 3.4Å; R778-D842 PolarHBondContact NH2-O 2.87Å; H782-D842 HydrophobicContact CB-CB 4.46Å; H782-D842 WeakPolarHBondContact CB-OD1 3.33Å; H782-D842 IonicContact CD2-OD1 2.76Å; H782-D842 PolarHBondContact CD2-OD1 3Å; H782-D842 VanDerWaalsContact CD2-OD1 3.3Å; H782-D842 IonicContact CD2-OD2 3.18Å; H782-D842 PolarHBondContact CD2-OD2 3.49Å; H782-D842 IonicContact CG-OD1 3.72Å; H782-D842 IonicContact CG-OD2 2.77Å; L838-D842 PolarHBondContact O-N 2.95Å; K839-D842 PolarHBondContact O-N 2.97Å |
| 843 | L | 83.4 | Confident | 83.4 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -86 | -5.9 | -172.7 | -56.7 | 177.5 | 0 | 0 | 0 | 114.1 | L763 K839 H848 S851 Y852 | L763-L843 HydrophobicContact CD1-CD2 3.82Å; K839-L843 VanDerWaalsContact O-CB 3.27Å; K839-L843 WeakPolarHBondContact O-CB 3.36Å; K839-L843 PolarHBondContact O-N 2.99Å; L843-H848 PolarHBondContact O-CE1 3.48Å; L843-H848 PolarHBondContact O-NE2 2.94Å; L843-S851 VanDerWaalsContact O-CA 3.3Å; L843-S851 WeakPolarHBondContact O-CA 3.45Å; L843-Y852 HydrophobicContact CD1-CD2 4.49Å; L843-Y852 PolarHBondContact O-N 3.44Å |
| 844 | G | 81.5 | Confident | 83 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 64.1 | -179.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V840 Y852 | V840-G844 WeakPolarHBondContact O-CA 3.42Å; V840-G844 PolarHBondContact O-N 2.72Å; G844-Y852 WeakPolarHBondContact O-CB 3.26Å; G844-Y852 PolarHBondContact O-N 2.84Å | ||
| 845 | V | 82.3 | Confident | 82.3 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -88.6 | -76.4 | -165.8 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | M768 V840 S851 F853 | M768-V845 HydrophobicContact CG-CG2 4.26Å; V840-V845 HydrophobicContact CG1-CG2 3.83Å; V845-S851 WeakPolarHBondContact O-CB 3.45Å; V845-F853 HydrophobicContact CG1-CD2 3.91Å; V845-F853 HydrophobicContact CG1-CE2 4.1Å; V845-F853 WeakPolarHBondContact O-CD2 3.31Å; V845-F853 PolarHBondContact O-N 3.46Å; V845-F853 VanDerWaalsContact O-N 3.11Å |
| 846 | V | 81.8 | Confident | 81.8 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -135.7 | -23.6 | -172.4 | 161.4 | 0 | 0 | 0 | 0 | 114.5 | H848 S851 F853 R854 | V846-H848 PolarHBondContact O-N 3.41Å; V846-S851 PolarHBondContact O-OG 3.27Å; V846-F853 HydrophobicContact CG2-CB 3.78Å; V846-F853 HydrophobicContact CG2-CD2 4.19Å; V846-F853 HydrophobicContact CG2-CG 4.32Å; V846-R854 PolarHBondContact O-NH1 3.44Å |
| 847 | L | 74.7 | Confident | 81.3 | Confident | 133 Ų | 133 | 49.1 Ų | 49.1 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -73.5 | -25.8 | -158.6 | -80 | 138 | 0 | 0 | 0 | 116.7 | F769 | F769-L847 HydrophobicContact CE1-CD1 4.44Å; F769-L847 HydrophobicContact CE2-CD1 3.53Å; F769-L847 HydrophobicContact CZ-CD1 3.46Å; F769-L847 VanDerWaalsContact CZ-CD1 3.46Å; F769-L847 HydrophobicContact CZ-CD2 4.24Å; F769-L847 HydrophobicContact CZ-CG 4.48Å |
| 848 | H | 75.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.069 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -116 | 161.9 | -175 | 55.4 | 81.4 | 0 | 0 | 0 | 111.6 | Y765 L843 V846 G850 S851 R854 | Y765-H848 HydrophobicContact CD1-CB 4.5Å; Y765-H848 HydrophobicContact CD2-CB 3.73Å; Y765-H848 AromaticContact CD2-CG 3.88Å; Y765-H848 HydrophobicContact CE2-CB 4.17Å; Y765-H848 HydrophobicContact CG-CB 3.93Å; L843-H848 PolarHBondContact O-CE1 3.48Å; L843-H848 PolarHBondContact O-NE2 2.94Å; V846-H848 PolarHBondContact O-N 3.41Å; H848-G850 VanDerWaalsContact C-N 3.35Å; H848-G850 PolarHBondContact O-N 3.16Å; H848-S851 PolarHBondContact ND1-N 3.21Å; H848-S851 WeakPolarHBondContact O-CB 3.08Å; H848-S851 PolarHBondContact O-N 2.94Å; H848-S851 VanDerWaalsContact O-N 3.11Å; H848-S851 PolarHBondContact O-OG 2.79Å; H848-S851 VanDerWaalsContact O-OG 3.07Å; H848-R854 PolarHBondContact O-NH1 3.2Å; H848-R854 VanDerWaalsContact O-NH1 3.14Å |
| 849 | P | 69.6 | Low | 80.6 | Confident | 93 Ų | 93 | 47 Ų | 47 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.3 | -172.9 | 18.4 | -31.8 | 0 | 0 | 0 | 114 | S851 R854 | P849-S851 VanDerWaalsContact C-N 3.26Å; P849-S851 PolarHBondContact O-N 2.81Å; P849-R854 VanDerWaalsContact O-CD 3.3Å; P849-R854 WeakPolarHBondContact O-CD 3.16Å |
| 850 | G | 71.5 | Confident | 80 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H848 | H848-G850 VanDerWaalsContact C-N 3.35Å; H848-G850 PolarHBondContact O-N 3.16Å |
| 851 | S | 78.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | trans | -80 | 148.4 | -179.9 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | L843 V845 V846 H848 P849 F853 R854 | L843-S851 VanDerWaalsContact O-CA 3.3Å; L843-S851 WeakPolarHBondContact O-CA 3.45Å; V845-S851 WeakPolarHBondContact O-CB 3.45Å; V846-S851 PolarHBondContact O-OG 3.27Å; H848-S851 PolarHBondContact ND1-N 3.21Å; H848-S851 WeakPolarHBondContact O-CB 3.08Å; H848-S851 PolarHBondContact O-N 2.94Å; H848-S851 VanDerWaalsContact O-N 3.11Å; H848-S851 PolarHBondContact O-OG 2.79Å; H848-S851 VanDerWaalsContact O-OG 3.07Å; P849-S851 VanDerWaalsContact C-N 3.26Å; P849-S851 PolarHBondContact O-N 2.81Å; S851-F853 PolarHBondContact O-N 2.89Å; S851-R854 WeakPolarHBondContact O-CB 3.23Å; S851-R854 PolarHBondContact O-N 2.75Å; S851-R854 WeakPolarHBondContact OG-CG 3.42Å | ||
| 852 | Y | 84.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -48.4 | -52.4 | -178.9 | -176.6 | -93.8 | 0 | 0 | 0 | 113.6 | L836 K839 V840 L843 G844 R854 D855 N858 D861 A862 | L836-Y852 HydrophobicContact CD1-CD1 4.38Å; L836-Y852 HydrophobicContact CD1-CE1 3.48Å; L836-Y852 VanDerWaalsContact CD1-CE1 3.48Å; L836-Y852 HydrophobicContact CD1-CE2 4.26Å; L836-Y852 VanDerWaalsContact CD1-CZ 3.4Å; L836-Y852 VanDerWaalsContact CD1-OH 3.26Å; L836-Y852 WeakPolarHBondContact CD1-OH 3.43Å; K839-Y852 HydrophobicContact CB-CD2 3.69Å; K839-Y852 HydrophobicContact CB-CE2 3.54Å; K839-Y852 HydrophobicContact CD-CD2 4.41Å; K839-Y852 HydrophobicContact CD-CE2 3.68Å; K839-Y852 HydrophobicContact CG-CE2 4.3Å; V840-Y852 HydrophobicContact CG2-CD1 3.69Å; V840-Y852 HydrophobicContact CG2-CD2 3.88Å; V840-Y852 HydrophobicContact CG2-CE1 4.1Å; V840-Y852 HydrophobicContact CG2-CE2 4.26Å; V840-Y852 HydrophobicContact CG2-CG 3.58Å; L843-Y852 HydrophobicContact CD1-CD2 4.49Å; L843-Y852 PolarHBondContact O-N 3.44Å; G844-Y852 WeakPolarHBondContact O-CB 3.26Å; G844-Y852 PolarHBondContact O-N 2.84Å; Y852-R854 PolarHBondContact O-N 2.78Å; Y852-R854 VanDerWaalsContact O-N 3.09Å; Y852-D855 PolarHBondContact O-N 2.91Å; Y852-N858 HydrophobicContact CD1-CB 4.04Å; Y852-N858 HydrophobicContact CD2-CB 3.81Å; Y852-N858 HydrophobicContact CE1-CB 3.77Å; Y852-N858 WeakPolarHBondContact CE1-O 3.28Å; Y852-N858 HydrophobicContact CE2-CB 3.54Å; Y852-N858 VanDerWaalsContact CE2-CG 3.44Å; Y852-N858 VanDerWaalsContact CE2-OD1 3.3Å; Y852-N858 WeakPolarHBondContact CE2-OD1 3.32Å; Y852-N858 HydrophobicContact CG-CB 4.05Å; Y852-N858 VanDerWaalsContact O-CB 3.24Å; Y852-N858 WeakPolarHBondContact O-CB 3.34Å; Y852-N858 PolarHBondContact OH-O 2.81Å; Y852-D861 VanDerWaalsContact OH-CB 3.28Å; Y852-D861 WeakPolarHBondContact OH-CB 3.18Å; Y852-A862 HydrophobicContact CE1-CB 4.03Å |
| 853 | F | 83.1 | Confident | 79.2 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -75.9 | 10.4 | -178.5 | -74 | -76.7 | 0 | 0 | 0 | 115.1 | V845 V846 S851 I859 A862 | V845-F853 HydrophobicContact CG1-CD2 3.91Å; V845-F853 HydrophobicContact CG1-CE2 4.1Å; V845-F853 WeakPolarHBondContact O-CD2 3.31Å; V845-F853 PolarHBondContact O-N 3.46Å; V845-F853 VanDerWaalsContact O-N 3.11Å; V846-F853 HydrophobicContact CG2-CB 3.78Å; V846-F853 HydrophobicContact CG2-CD2 4.19Å; V846-F853 HydrophobicContact CG2-CG 4.32Å; S851-F853 PolarHBondContact O-N 2.89Å; F853-I859 HydrophobicContact CD1-CG1 4.34Å; F853-I859 WeakPolarHBondContact O-CD1 3.48Å; F853-A862 HydrophobicContact CE1-CB 3.52Å; F853-A862 HydrophobicContact CZ-CB 3.87Å |
| 854 | R | 81.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 39% | 0.389 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -98.7 | -14.5 | 171.4 | -90.7 | -176.8 | 156.2 | 126.8 | -5.7 | 114 | V846 H848 P849 S851 Y852 N1996 | V846-R854 PolarHBondContact O-NH1 3.44Å; H848-R854 PolarHBondContact O-NH1 3.2Å; H848-R854 VanDerWaalsContact O-NH1 3.14Å; P849-R854 VanDerWaalsContact O-CD 3.3Å; P849-R854 WeakPolarHBondContact O-CD 3.16Å; S851-R854 WeakPolarHBondContact O-CB 3.23Å; S851-R854 PolarHBondContact O-N 2.75Å; S851-R854 WeakPolarHBondContact OG-CG 3.42Å; Y852-R854 PolarHBondContact O-N 2.78Å; Y852-R854 VanDerWaalsContact O-N 3.09Å; R854-N1996 PolarHBondContact O-ND2 2.61Å |
| 855 | D | 76.8 | Confident | 79 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -90.8 | 119 | 170 | 175 | 6.7 | 0 | 0 | 0 | 108.7 | Y852 W857 N858 I859 | Y852-D855 PolarHBondContact O-N 2.91Å; D855-W857 PolarHBondContact O-N 3.22Å; D855-W857 PolarHBondContact OD1-N 2.71Å; D855-W857 VanDerWaalsContact OD1-N 3.15Å; D855-N858 HydrophobicContact CB-CB 4.21Å; D855-N858 PolarHBondContact O-N 2.91Å; D855-N858 PolarHBondContact OD2-ND2 2.8Å; D855-I859 PolarHBondContact O-N 3.13Å; D855-I859 VanDerWaalsContact O-N 3.08Å |
| 856 | T | 78.2 | Confident | 79.1 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.1 | -27.5 | -176.3 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | I859 L860 | T856-I859 PolarHBondContact O-N 2.96Å; T856-L860 PolarHBondContact O-N 2.89Å |
| 857 | W | 77.4 | Confident | 78.8 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77.1 | -37 | 178.2 | -64.1 | 93.1 | 0 | 0 | 0 | 112.7 | D855 I859 L860 D861 L907 N911 F920 | D855-W857 PolarHBondContact O-N 3.22Å; D855-W857 PolarHBondContact OD1-N 2.71Å; D855-W857 VanDerWaalsContact OD1-N 3.15Å; W857-I859 VanDerWaalsContact C-N 3.3Å; W857-I859 PolarHBondContact O-N 2.83Å; W857-L860 HydrophobicContact CE3-CD2 4.31Å; W857-L860 HydrophobicContact CZ3-CD2 4.37Å; W857-L860 WeakPolarHBondContact O-CB 3.22Å; W857-L860 PolarHBondContact O-N 3.41Å; W857-D861 PolarHBondContact O-N 3.06Å; W857-D861 VanDerWaalsContact O-N 3.11Å; W857-D861 VanDerWaalsContact O-OD1 3.07Å; W857-L907 HydrophobicContact CH2-CB 4.16Å; W857-L907 HydrophobicContact CZ3-CB 3.67Å; W857-L907 VanDerWaalsContact CZ3-O 3.29Å; W857-L907 WeakPolarHBondContact CZ3-O 3.24Å; W857-N911 PolarHBondContact NE1-ND2 3.2Å; W857-F920 HydrophobicContact CZ2-CE1 4.2Å |
| 858 | N | 79.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.9 | -26.2 | 171.7 | -74.7 | -43.8 | 0 | 0 | 0 | 111.9 | K839 Y852 D855 A862 | K839-N858 PolarHBondContact NZ-OD1 3.12Å; K839-N858 VanDerWaalsContact NZ-OD1 3.13Å; Y852-N858 HydrophobicContact CD1-CB 4.04Å; Y852-N858 HydrophobicContact CD2-CB 3.81Å; Y852-N858 HydrophobicContact CE1-CB 3.77Å; Y852-N858 WeakPolarHBondContact CE1-O 3.28Å; Y852-N858 HydrophobicContact CE2-CB 3.54Å; Y852-N858 VanDerWaalsContact CE2-CG 3.44Å; Y852-N858 VanDerWaalsContact CE2-OD1 3.3Å; Y852-N858 WeakPolarHBondContact CE2-OD1 3.32Å; Y852-N858 HydrophobicContact CG-CB 4.05Å; Y852-N858 VanDerWaalsContact O-CB 3.24Å; Y852-N858 WeakPolarHBondContact O-CB 3.34Å; Y852-N858 PolarHBondContact OH-O 2.81Å; D855-N858 HydrophobicContact CB-CB 4.21Å; D855-N858 PolarHBondContact O-N 2.91Å; D855-N858 PolarHBondContact OD2-ND2 2.8Å; N858-A862 PolarHBondContact O-N 2.84Å; N858-A862 VanDerWaalsContact O-N 3.09Å |
| 859 | I | 83.3 | Confident | 79.1 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 168.8 | -57.5 | 173.9 | 0 | 0 | 0 | 110.5 | F853 D855 T856 W857 D861 A862 I863 | F853-I859 HydrophobicContact CD1-CG1 4.34Å; F853-I859 WeakPolarHBondContact O-CD1 3.48Å; D855-I859 PolarHBondContact O-N 3.13Å; D855-I859 VanDerWaalsContact O-N 3.08Å; T856-I859 PolarHBondContact O-N 2.96Å; W857-I859 VanDerWaalsContact C-N 3.3Å; W857-I859 PolarHBondContact O-N 2.83Å; I859-D861 VanDerWaalsContact C-N 3.32Å; I859-D861 PolarHBondContact O-N 2.81Å; I859-A862 PolarHBondContact O-N 2.85Å; I859-I863 HydrophobicContact CG2-CD1 3.81Å; I859-I863 HydrophobicContact CG2-CG1 4.43Å; I859-I863 WeakPolarHBondContact O-CG1 3.14Å; I859-I863 PolarHBondContact O-N 3.42Å |
| 860 | L | 76.4 | Confident | 79.5 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 18% | 0.183 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.7 | -46.8 | 176.1 | -170.3 | 81.3 | 0 | 0 | 0 | 111.3 | T856 W857 I863 V864 L904 L907 | T856-L860 PolarHBondContact O-N 2.89Å; W857-L860 HydrophobicContact CE3-CD2 4.31Å; W857-L860 HydrophobicContact CZ3-CD2 4.37Å; W857-L860 WeakPolarHBondContact O-CB 3.22Å; W857-L860 PolarHBondContact O-N 3.41Å; L860-I863 PolarHBondContact O-N 2.82Å; L860-V864 WeakPolarHBondContact O-CG2 3.24Å; L860-V864 PolarHBondContact O-N 2.74Å; L860-L904 HydrophobicContact CD1-CB 4.24Å; L860-L904 HydrophobicContact CD1-CD1 4.04Å; L860-L904 HydrophobicContact CD2-CB 4.44Å; L860-L907 HydrophobicContact CD2-CB 4.45Å |
| 861 | D | 78 | Confident | 79.4 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -51.8 | 177.6 | -72.9 | 14.4 | 0 | 0 | 0 | 112.2 | K839 Y852 W857 I859 I863 V864 V865 K908 | K839-D861 IonicContact NZ-OD2 4Å; K839-D861 PolarHBondContact NZ-OD2 3.08Å; K839-D861 VanDerWaalsContact NZ-OD2 3.16Å; Y852-D861 VanDerWaalsContact OH-CB 3.28Å; Y852-D861 WeakPolarHBondContact OH-CB 3.18Å; W857-D861 PolarHBondContact O-N 3.06Å; W857-D861 VanDerWaalsContact O-N 3.11Å; W857-D861 VanDerWaalsContact O-OD1 3.07Å; I859-D861 VanDerWaalsContact C-N 3.32Å; I859-D861 PolarHBondContact O-N 2.81Å; D861-I863 VanDerWaalsContact C-N 3.32Å; D861-I863 PolarHBondContact O-N 2.9Å; D861-V864 PolarHBondContact O-N 3.01Å; D861-V865 WeakPolarHBondContact O-CG2 3.33Å; D861-V865 PolarHBondContact O-N 3.46Å; D861-K908 VanDerWaalsContact CG-NZ 3.29Å; D861-K908 WeakPolarHBondContact OD1-CE 3.16Å; D861-K908 IonicContact OD1-NZ 2.81Å; D861-K908 PolarHBondContact OD1-NZ 3.35Å; D861-K908 WeakPolarHBondContact OD2-CE 2.94Å; D861-K908 IonicContact OD2-NZ 2.66Å; D861-K908 PolarHBondContact OD2-NZ 3.29Å |
| 862 | A | 83 | Confident | 79.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L836 Y852 F853 N858 I859 F866 | L836-A862 HydrophobicContact CD1-CB 4.1Å; Y852-A862 HydrophobicContact CE1-CB 4.03Å; F853-A862 HydrophobicContact CE1-CB 3.52Å; F853-A862 HydrophobicContact CZ-CB 3.87Å; N858-A862 PolarHBondContact O-N 2.84Å; N858-A862 VanDerWaalsContact O-N 3.09Å; I859-A862 PolarHBondContact O-N 2.85Å; A862-F866 WeakPolarHBondContact O-CB 3.47Å; A862-F866 PolarHBondContact O-N 2.81Å |
| 863 | I | 82.1 | Confident | 78.7 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.6 | -72.2 | 170.8 | 0 | 0 | 0 | 110.9 | I859 L860 D861 V865 F866 F867 | I859-I863 HydrophobicContact CG2-CD1 3.81Å; I859-I863 HydrophobicContact CG2-CG1 4.43Å; I859-I863 WeakPolarHBondContact O-CG1 3.14Å; I859-I863 PolarHBondContact O-N 3.42Å; L860-I863 PolarHBondContact O-N 2.82Å; D861-I863 VanDerWaalsContact C-N 3.32Å; D861-I863 PolarHBondContact O-N 2.9Å; I863-V865 PolarHBondContact O-N 2.99Å; I863-F866 PolarHBondContact O-N 2.87Å; I863-F867 HydrophobicContact CG2-CD2 3.71Å; I863-F867 HydrophobicContact CG2-CE2 3.7Å; I863-F867 WeakPolarHBondContact O-CD2 3.35Å; I863-F867 PolarHBondContact O-N 3Å |
| 864 | V | 76.5 | Confident | 78 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -36.7 | -179.1 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | L860 D861 A868 L901 R902 R905 | L860-V864 WeakPolarHBondContact O-CG2 3.24Å; L860-V864 PolarHBondContact O-N 2.74Å; D861-V864 PolarHBondContact O-N 3.01Å; V864-A868 WeakPolarHBondContact O-CB 3.46Å; V864-A868 PolarHBondContact O-N 3.28Å; V864-L901 WeakPolarHBondContact CG2-O 3.25Å; V864-R902 HydrophobicContact CG1-CG 4.46Å; V864-R905 HydrophobicContact CG1-CG 3.92Å |
| 865 | V | 84.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.1 | -44 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F832 L836 D861 I863 A868 L869 | F832-V865 HydrophobicContact CB-CG2 3.63Å; L836-V865 HydrophobicContact CD2-CB 4.09Å; L836-V865 HydrophobicContact CD2-CG1 3.71Å; D861-V865 WeakPolarHBondContact O-CG2 3.33Å; D861-V865 PolarHBondContact O-N 3.46Å; I863-V865 PolarHBondContact O-N 2.99Å; V865-A868 PolarHBondContact O-N 3.44Å; V865-L869 HydrophobicContact CG1-CD1 3.82Å; V865-L869 HydrophobicContact CG1-CG 4.28Å; V865-L869 WeakPolarHBondContact O-CG 3.15Å; V865-L869 PolarHBondContact O-N 3.31Å |
| 866 | F | 83.5 | Confident | 77.1 | Confident | 125 Ų | 125 | 51.1 Ų | 51.1 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -50.2 | -179.5 | 176.5 | -99.5 | 0 | 0 | 0 | 111.9 | A862 I863 A868 L869 V870 | A862-F866 WeakPolarHBondContact O-CB 3.47Å; A862-F866 PolarHBondContact O-N 2.81Å; I863-F866 PolarHBondContact O-N 2.87Å; F866-A868 VanDerWaalsContact C-N 3.31Å; F866-A868 PolarHBondContact O-N 2.88Å; F866-L869 PolarHBondContact O-N 2.94Å; F866-V870 HydrophobicContact CD1-CG2 4.23Å; F866-V870 HydrophobicContact CD2-CG2 4.49Å; F866-V870 HydrophobicContact CE1-CG2 3.85Å; F866-V870 HydrophobicContact CE2-CG2 4.13Å; F866-V870 HydrophobicContact CZ-CG2 3.8Å; F866-V870 WeakPolarHBondContact O-CG2 2.95Å; F866-V870 PolarHBondContact O-N 3.16Å |
| 867 | F | 76.3 | Confident | 76.6 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 177.8 | -76.3 | -59.4 | 0 | 0 | 0 | 112.8 | I863 V870 A871 L898 L901 | I863-F867 HydrophobicContact CG2-CD2 3.71Å; I863-F867 HydrophobicContact CG2-CE2 3.7Å; I863-F867 WeakPolarHBondContact O-CD2 3.35Å; I863-F867 PolarHBondContact O-N 3Å; F867-V870 PolarHBondContact O-N 2.83Å; F867-A871 WeakPolarHBondContact O-CB 3.04Å; F867-A871 PolarHBondContact O-N 2.76Å; F867-L898 HydrophobicContact CD1-CD1 4.02Å; F867-L898 HydrophobicContact CD1-CD2 4.29Å; F867-L898 HydrophobicContact CE1-CD1 4.32Å; F867-L898 HydrophobicContact CE1-CD2 4.26Å; F867-L901 HydrophobicContact CD2-CD1 3.38Å; F867-L901 HydrophobicContact CE2-CD1 3.58Å; F867-L901 HydrophobicContact CG-CD1 4.09Å; F867-L901 HydrophobicContact CZ-CD1 4.45Å |
| 868 | A | 76.4 | Confident | 76 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T829 V864 V865 F866 F872 | T829-A868 HydrophobicContact CG2-CB 3.63Å; V864-A868 WeakPolarHBondContact O-CB 3.46Å; V864-A868 PolarHBondContact O-N 3.28Å; V865-A868 PolarHBondContact O-N 3.44Å; F866-A868 VanDerWaalsContact C-N 3.31Å; F866-A868 PolarHBondContact O-N 2.88Å; A868-F872 PolarHBondContact O-N 2.72Å |
| 869 | L | 81.4 | Confident | 75.2 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 173.7 | -71.1 | 172.6 | 0 | 0 | 0 | 112.1 | T833 V865 F866 F872 V873 | T833-L869 HydrophobicContact CG2-CD1 4.22Å; V865-L869 HydrophobicContact CG1-CD1 3.82Å; V865-L869 HydrophobicContact CG1-CG 4.28Å; V865-L869 WeakPolarHBondContact O-CG 3.15Å; V865-L869 PolarHBondContact O-N 3.31Å; F866-L869 PolarHBondContact O-N 2.94Å; L869-F872 PolarHBondContact O-N 3.05Å; L869-V873 WeakPolarHBondContact O-CB 3.46Å; L869-V873 VanDerWaalsContact O-CG2 3.29Å; L869-V873 WeakPolarHBondContact O-CG2 3.28Å; L869-V873 PolarHBondContact O-N 2.79Å |
| 870 | V | 76.2 | Confident | 74.1 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.4 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | F866 F867 F872 V873 V874 | F866-V870 HydrophobicContact CD1-CG2 4.23Å; F866-V870 HydrophobicContact CD2-CG2 4.49Å; F866-V870 HydrophobicContact CE1-CG2 3.85Å; F866-V870 HydrophobicContact CE2-CG2 4.13Å; F866-V870 HydrophobicContact CZ-CG2 3.8Å; F866-V870 WeakPolarHBondContact O-CG2 2.95Å; F866-V870 PolarHBondContact O-N 3.16Å; F867-V870 PolarHBondContact O-N 2.83Å; V870-F872 VanDerWaalsContact C-N 3.34Å; V870-F872 PolarHBondContact O-N 2.77Å; V870-V873 PolarHBondContact O-N 3.12Å; V870-V874 HydrophobicContact CG1-CG2 4.43Å; V870-V874 WeakPolarHBondContact O-CG2 3.29Å; V870-V874 PolarHBondContact O-N 3.09Å |
| 871 | A | 70.4 | Confident | 73.3 | Confident | 24 Ų | 24 | 60 Ų | 60 | 20% | 0.198 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F867 R875 I895 | F867-A871 WeakPolarHBondContact O-CB 3.04Å; F867-A871 PolarHBondContact O-N 2.76Å; A871-R875 VanDerWaalsContact O-CB 3.31Å; A871-R875 WeakPolarHBondContact O-CB 3.18Å; A871-R875 PolarHBondContact O-N 3.11Å; A871-I895 HydrophobicContact CB-CG2 3.96Å |
| 872 | F | 74 | Confident | 72.2 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.6 | 178.4 | -98.3 | 0 | 0 | 0 | 112.6 | Y826 A868 L869 V870 R875 S876 | Y826-F872 AromaticContact CD1-CD2 3.91Å; Y826-F872 HydrophobicContact CD1-CD2 3.91Å; Y826-F872 HydrophobicContact CD1-CE2 4.37Å; Y826-F872 AromaticContact CE1-CD2 3.66Å; Y826-F872 HydrophobicContact CE1-CD2 3.66Å; Y826-F872 HydrophobicContact CE1-CE2 4.28Å; A868-F872 PolarHBondContact O-N 2.72Å; L869-F872 PolarHBondContact O-N 3.05Å; V870-F872 VanDerWaalsContact C-N 3.34Å; V870-F872 PolarHBondContact O-N 2.77Å; F872-R875 PolarHBondContact O-N 3.46Å; F872-S876 VanDerWaalsContact O-CB 3.26Å; F872-S876 WeakPolarHBondContact O-CB 3.49Å; F872-S876 PolarHBondContact O-N 2.82Å; F872-S876 PolarHBondContact O-OG 3.37Å |
| 873 | V | 75.7 | Confident | 70.7 | Confident | 91 Ų | 91 | 76.1 Ų | 76.1 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 179.2 | 168 | 0 | 0 | 0 | 0 | 111.3 | L869 V870 S876 A877 | L869-V873 WeakPolarHBondContact O-CB 3.46Å; L869-V873 VanDerWaalsContact O-CG2 3.29Å; L869-V873 WeakPolarHBondContact O-CG2 3.28Å; L869-V873 PolarHBondContact O-N 2.79Å; V870-V873 PolarHBondContact O-N 3.12Å; V873-S876 PolarHBondContact O-N 3.27Å; V873-A877 VanDerWaalsContact O-CB 3.3Å; V873-A877 WeakPolarHBondContact O-CB 3.4Å; V873-A877 PolarHBondContact O-N 2.9Å |
| 874 | V | 68.1 | Low | 69 | Low | 43 Ų | 43 | 76.3 Ų | 76.3 | 26% | 0.261 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 176.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | V870 S876 A877 T878 L892 I895 | V870-V874 HydrophobicContact CG1-CG2 4.43Å; V870-V874 WeakPolarHBondContact O-CG2 3.29Å; V870-V874 PolarHBondContact O-N 3.09Å; V874-S876 PolarHBondContact O-N 3.49Å; V874-A877 PolarHBondContact O-N 3.43Å; V874-T878 PolarHBondContact O-N 3.18Å; V874-T878 PolarHBondContact O-OG1 3.29Å; V874-T878 VanDerWaalsContact O-OG1 3.12Å; V874-L892 HydrophobicContact CG1-CD2 4Å; V874-I895 HydrophobicContact CB-CD1 4.12Å; V874-I895 HydrophobicContact CG1-CD1 3.74Å; V874-I895 HydrophobicContact CG2-CD1 4.09Å |
| 875 | R | 67.3 | Low | 67.6 | Low | 125 Ų | 125 | 79.9 Ų | 79.9 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -29.3 | 176.3 | -168 | 167.7 | 175.3 | 84.9 | -15.9 | 112.3 | E822 Y826 A871 F872 T878 S879 | E822-R875 IonicContact OE1-CZ 2.74Å; E822-R875 VanDerWaalsContact OE1-CZ 3.3Å; E822-R875 IonicContact OE1-NE 3.6Å; E822-R875 PolarHBondContact OE1-NE 3Å; E822-R875 IonicContact OE1-NH2 2.61Å; E822-R875 PolarHBondContact OE1-NH2 3.47Å; E822-R875 IonicContact OE2-CZ 2.61Å; E822-R875 IonicContact OE2-NH2 2.69Å; E822-R875 PolarHBondContact OE2-NH2 3.32Å; Y826-R875 PolarHBondContact OH-NE 3.5Å; A871-R875 VanDerWaalsContact O-CB 3.31Å; A871-R875 WeakPolarHBondContact O-CB 3.18Å; A871-R875 PolarHBondContact O-N 3.11Å; F872-R875 PolarHBondContact O-N 3.46Å; R875-T878 PolarHBondContact O-OG1 2.7Å; R875-S879 PolarHBondContact O-N 3.33Å; R875-S879 PolarHBondContact O-OG 3.16Å |
| 876 | S | 70.2 | Confident | 66 | Low | 34 Ų | 34 | 84.8 Ų | 84.8 | 24% | 0.238 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -80.9 | -35.1 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | F872 V873 V874 S879 L880 | F872-S876 VanDerWaalsContact O-CB 3.26Å; F872-S876 WeakPolarHBondContact O-CB 3.49Å; F872-S876 PolarHBondContact O-N 2.82Å; F872-S876 PolarHBondContact O-OG 3.37Å; V873-S876 PolarHBondContact O-N 3.27Å; V874-S876 PolarHBondContact O-N 3.49Å; S876-S879 WeakPolarHBondContact CA-OG 3.4Å; S876-S879 PolarHBondContact O-N 3.36Å; S876-S879 PolarHBondContact O-OG 2.86Å; S876-L880 WeakPolarHBondContact O-CD1 3.5Å; S876-L880 PolarHBondContact O-N 3.33Å |
| 877 | A | 68.9 | Low | 64.4 | Low | 46 Ų | 46 | 83.4 Ų | 83.4 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | V873 V874 S879 L880 G881 | V873-A877 VanDerWaalsContact O-CB 3.3Å; V873-A877 WeakPolarHBondContact O-CB 3.4Å; V873-A877 PolarHBondContact O-N 2.9Å; V874-A877 PolarHBondContact O-N 3.43Å; A877-S879 VanDerWaalsContact C-N 3.32Å; A877-S879 PolarHBondContact O-N 3.43Å; A877-L880 PolarHBondContact O-N 3.17Å; A877-G881 PolarHBondContact O-N 3.18Å |
| 878 | T | 64 | Low | 62.9 | Low | 74 Ų | 74 | 82 Ų | 82 | 45% | 0.454 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -31.6 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 113 | V874 R875 | V874-T878 PolarHBondContact O-N 3.18Å; V874-T878 PolarHBondContact O-OG1 3.29Å; V874-T878 VanDerWaalsContact O-OG1 3.12Å; R875-T878 PolarHBondContact O-OG1 2.7Å |
| 879 | S | 62.7 | Low | 61.4 | Low | 91 Ų | 91 | 84.7 Ų | 84.7 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.6 | -27.6 | 177.2 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | R875 S876 A877 G881 | R875-S879 PolarHBondContact O-N 3.33Å; R875-S879 PolarHBondContact O-OG 3.16Å; S876-S879 WeakPolarHBondContact CA-OG 3.4Å; S876-S879 PolarHBondContact O-N 3.36Å; S876-S879 PolarHBondContact O-OG 2.86Å; A877-S879 VanDerWaalsContact C-N 3.32Å; A877-S879 PolarHBondContact O-N 3.43Å; S879-G881 VanDerWaalsContact C-N 3.29Å; S879-G881 PolarHBondContact O-N 2.87Å |
| 880 | L | 62.1 | Low | 59.7 | Low | 143 Ų | 143 | 90.2 Ų | 90.2 | 75% | 0.749 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.6 | 173.4 | -91.2 | 83.6 | 0 | 0 | 0 | 114.5 | S876 A877 R882 | S876-L880 WeakPolarHBondContact O-CD1 3.5Å; S876-L880 PolarHBondContact O-N 3.33Å; A877-L880 PolarHBondContact O-N 3.17Å; L880-R882 VanDerWaalsContact C-N 3.26Å; L880-R882 PolarHBondContact O-N 2.86Å; L880-R882 VanDerWaalsContact O-N 3.15Å |
| 881 | G | 58.2 | Low | 58.5 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 16.6 | 168 | 0 | 0 | 0 | 0 | 0 | 116.1 | A877 S879 | A877-G881 PolarHBondContact O-N 3.18Å; S879-G881 VanDerWaalsContact C-N 3.29Å; S879-G881 PolarHBondContact O-N 2.87Å |
| 882 | R | 54.7 | Low | 57.5 | Low | 212 Ų | 212 | 93.5 Ų | 93.5 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | trans | -111.2 | 130.8 | 174.1 | -86.1 | -178.2 | 163.9 | 156.4 | -3.2 | 110.6 | L880 | L880-R882 VanDerWaalsContact C-N 3.26Å; L880-R882 PolarHBondContact O-N 2.86Å; L880-R882 VanDerWaalsContact O-N 3.15Å | ||
| 883 | I | 53 | Low | 56.5 | Low | 152 Ų | 152 | 93.9 Ų | 93.9 | 78% | 0.779 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 69.2 | 57.4 | -172.2 | -41.1 | 179.8 | 0 | 0 | 0 | 112.5 | ||
| 884 | G | 45.4 | Very low | 55.5 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 79% | 0.794 | 55% | 0.547 | S | S | * | . | trans | -85.1 | 104.4 | 164 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 885 | T | 46.6 | Very low | 55 | Low | 84 Ų | 84 | 93 Ų | 93 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | trans | -128.3 | 139.7 | 161.6 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | T887 S888 | T885-T887 PolarHBondContact O-N 2.79Å; T885-T887 VanDerWaalsContact O-N 3.13Å; T885-S888 VanDerWaalsContact O-CB 3.29Å; T885-S888 WeakPolarHBondContact O-CB 2.98Å; T885-S888 PolarHBondContact O-N 3.38Å; T885-S888 PolarHBondContact O-OG 2.67Å | ||
| 886 | S | 50.7 | Low | 54.5 | Low | 108 Ų | 108 | 90.4 Ų | 90.4 | 76% | 0.755 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.5 | -172.1 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | S888 A889 | S886-S888 PolarHBondContact O-N 3.21Å; S886-A889 WeakPolarHBondContact O-CB 3.15Å; S886-A889 PolarHBondContact O-N 3.11Å |
| 887 | T | 49.6 | Very low | 54.1 | Low | 96 Ų | 96 | 92 Ų | 92 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.3 | -35.6 | 171.7 | -30.5 | 0 | 0 | 0 | 0 | 112.7 | T885 A889 K890 N891 | T885-T887 PolarHBondContact O-N 2.79Å; T885-T887 VanDerWaalsContact O-N 3.13Å; T887-A889 PolarHBondContact O-N 3.37Å; T887-K890 PolarHBondContact O-N 3.02Å; T887-N891 PolarHBondContact O-N 3.28Å |
| 888 | S | 45 | Very low | 53.8 | Low | 37 Ų | 37 | 92.7 Ų | 92.7 | 26% | 0.259 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -28.1 | 177.7 | -61 | 0 | 0 | 0 | 0 | 112.7 | T885 S886 N891 L892 | T885-S888 VanDerWaalsContact O-CB 3.29Å; T885-S888 WeakPolarHBondContact O-CB 2.98Å; T885-S888 PolarHBondContact O-N 3.38Å; T885-S888 PolarHBondContact O-OG 2.67Å; S886-S888 PolarHBondContact O-N 3.21Å; S888-N891 WeakPolarHBondContact O-CB 3.42Å; S888-N891 PolarHBondContact O-N 3Å; S888-L892 WeakPolarHBondContact O-CG 2.98Å; S888-L892 PolarHBondContact O-N 3.48Å |
| 889 | A | 45.3 | Very low | 53.9 | Low | 61 Ų | 61 | 92.4 Ų | 92.4 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S886 T887 N891 L892 | S886-A889 WeakPolarHBondContact O-CB 3.15Å; S886-A889 PolarHBondContact O-N 3.11Å; T887-A889 PolarHBondContact O-N 3.37Å; A889-N891 VanDerWaalsContact C-N 3.25Å; A889-N891 PolarHBondContact O-N 2.92Å; A889-L892 WeakPolarHBondContact O-CB 3.3Å; A889-L892 PolarHBondContact O-N 3.12Å; A889-L892 VanDerWaalsContact O-N 3.07Å |
| 890 | K | 45.4 | Very low | 54.1 | Low | 181 Ų | 181 | 89.6 Ų | 89.6 | 79% | 0.787 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -34.3 | 171.9 | -71.3 | -165 | 174.4 | -169.5 | 0 | 111.5 | T887 L892 N893 | T887-K890 PolarHBondContact O-N 3.02Å; K890-L892 VanDerWaalsContact C-N 3.25Å; K890-L892 PolarHBondContact O-N 2.96Å; K890-N893 PolarHBondContact O-N 3.46Å |
| 891 | N | 50.8 | Low | 54.5 | Low | 82 Ų | 82 | 85.3 Ų | 85.3 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.1 | -15.3 | 173.8 | -65.8 | -20.7 | 0 | 0 | 0 | 114.1 | T887 S888 A889 N893 T894 I895 | T887-N891 PolarHBondContact O-N 3.28Å; S888-N891 WeakPolarHBondContact O-CB 3.42Å; S888-N891 PolarHBondContact O-N 3Å; A889-N891 VanDerWaalsContact C-N 3.25Å; A889-N891 PolarHBondContact O-N 2.92Å; N891-N893 VanDerWaalsContact C-N 3.34Å; N891-N893 PolarHBondContact O-N 3.17Å; N891-T894 PolarHBondContact O-OG1 3.42Å; N891-T894 VanDerWaalsContact O-OG1 3.11Å; N891-I895 WeakPolarHBondContact O-CB 3.25Å; N891-I895 WeakPolarHBondContact O-CD1 3.3Å; N891-I895 VanDerWaalsContact O-CG1 3.23Å; N891-I895 WeakPolarHBondContact O-CG1 3.38Å; N891-I895 PolarHBondContact O-N 3.36Å |
| 892 | L | 50.8 | Low | 55 | Low | 62 Ų | 62 | 83.1 Ų | 83.1 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.8 | -33.5 | 176.6 | -69.1 | 176.6 | 0 | 0 | 0 | 112.2 | V874 S888 A889 K890 I895 K896 | V874-L892 HydrophobicContact CG1-CD2 4Å; S888-L892 WeakPolarHBondContact O-CG 2.98Å; S888-L892 PolarHBondContact O-N 3.48Å; A889-L892 WeakPolarHBondContact O-CB 3.3Å; A889-L892 PolarHBondContact O-N 3.12Å; A889-L892 VanDerWaalsContact O-N 3.07Å; K890-L892 VanDerWaalsContact C-N 3.25Å; K890-L892 PolarHBondContact O-N 2.96Å; L892-I895 PolarHBondContact O-N 3.13Å; L892-K896 WeakPolarHBondContact O-CG 3.34Å; L892-K896 PolarHBondContact O-N 3.38Å |
| 893 | N | 52.9 | Low | 55.8 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -74.2 | -33.9 | 178.6 | -76.3 | -0.8 | 0 | 0 | 0 | 112.4 | K890 N891 I895 K896 S897 | K890-N893 PolarHBondContact O-N 3.46Å; N891-N893 VanDerWaalsContact C-N 3.34Å; N891-N893 PolarHBondContact O-N 3.17Å; N893-I895 VanDerWaalsContact C-N 3.3Å; N893-K896 WeakPolarHBondContact O-CB 3.33Å; N893-K896 PolarHBondContact O-N 2.81Å; N893-K896 PolarHBondContact OD1-NZ 3.25Å; N893-S897 PolarHBondContact O-N 3.16Å |
| 894 | T | 53.6 | Low | 56.7 | Low | 81 Ų | 81 | 68.2 Ų | 68.2 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73 | -22.3 | 169 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | N891 S897 L898 | N891-T894 PolarHBondContact O-OG1 3.42Å; N891-T894 VanDerWaalsContact O-OG1 3.11Å; T894-S897 PolarHBondContact O-OG 3.22Å; T894-S897 VanDerWaalsContact O-OG 3.07Å; T894-L898 PolarHBondContact O-N 2.87Å |
| 895 | I | 57.3 | Low | 57.9 | Low | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -76 | -26.6 | 168.8 | -70.9 | 167 | 0 | 0 | 0 | 111.9 | A871 V874 N891 L892 N893 L898 | A871-I895 HydrophobicContact CB-CG2 3.96Å; V874-I895 HydrophobicContact CB-CD1 4.12Å; V874-I895 HydrophobicContact CG1-CD1 3.74Å; V874-I895 HydrophobicContact CG2-CD1 4.09Å; N891-I895 WeakPolarHBondContact O-CB 3.25Å; N891-I895 WeakPolarHBondContact O-CD1 3.3Å; N891-I895 VanDerWaalsContact O-CG1 3.23Å; N891-I895 WeakPolarHBondContact O-CG1 3.38Å; N891-I895 PolarHBondContact O-N 3.36Å; L892-I895 PolarHBondContact O-N 3.13Å; N893-I895 VanDerWaalsContact C-N 3.3Å; I895-L898 PolarHBondContact O-N 2.89Å |
| 896 | K | 56.8 | Low | 59 | Low | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 168.8 | -70.7 | 172.3 | -178.4 | 174.4 | 0 | 111.3 | E813 L892 N893 L898 R899 | E813-K896 VanDerWaalsContact OE1-CE 3.28Å; E813-K896 WeakPolarHBondContact OE1-CE 3.34Å; E813-K896 IonicContact OE1-NZ 2.72Å; E813-K896 PolarHBondContact OE1-NZ 2.98Å; E813-K896 WeakPolarHBondContact OE2-CE 3.25Å; E813-K896 IonicContact OE2-NZ 3.43Å; E813-K896 PolarHBondContact OE2-NZ 3.26Å; L892-K896 WeakPolarHBondContact O-CG 3.34Å; L892-K896 PolarHBondContact O-N 3.38Å; N893-K896 WeakPolarHBondContact O-CB 3.33Å; N893-K896 PolarHBondContact O-N 2.81Å; N893-K896 PolarHBondContact OD1-NZ 3.25Å; K896-L898 PolarHBondContact O-N 2.83Å; K896-R899 WeakPolarHBondContact O-CB 3.34Å; K896-R899 WeakPolarHBondContact O-CG 3.26Å; K896-R899 PolarHBondContact O-N 3.44Å |
| 897 | S | 61.6 | Low | 60 | Low | 68 Ų | 68 | 58.2 Ų | 58.2 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -19.6 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | N893 T894 R899 V900 | N893-S897 PolarHBondContact O-N 3.16Å; T894-S897 PolarHBondContact O-OG 3.22Å; T894-S897 VanDerWaalsContact O-OG 3.07Å; S897-R899 PolarHBondContact O-N 3.47Å; S897-V900 VanDerWaalsContact O-CB 3.26Å; S897-V900 WeakPolarHBondContact O-CB 3.22Å; S897-V900 WeakPolarHBondContact O-CG2 3.21Å; S897-V900 PolarHBondContact O-N 2.76Å; S897-V900 VanDerWaalsContact O-N 3.15Å |
| 898 | L | 64.1 | Low | 61 | Low | 59 Ų | 59 | 54.9 Ų | 54.9 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -65.5 | -14 | 168.3 | -68.9 | 174.5 | 0 | 0 | 0 | 113.7 | F867 T894 I895 K896 V900 L901 | F867-L898 HydrophobicContact CD1-CD1 4.02Å; F867-L898 HydrophobicContact CD1-CD2 4.29Å; F867-L898 HydrophobicContact CE1-CD1 4.32Å; F867-L898 HydrophobicContact CE1-CD2 4.26Å; T894-L898 PolarHBondContact O-N 2.87Å; I895-L898 PolarHBondContact O-N 2.89Å; K896-L898 PolarHBondContact O-N 2.83Å; L898-V900 PolarHBondContact O-N 3.18Å; L898-L901 HydrophobicContact CD2-CD1 4.2Å; L898-L901 PolarHBondContact O-N 3.38Å |
| 899 | R | 66.1 | Low | 62.2 | Low | 69 Ų | 69 | 54.6 Ų | 54.6 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -59.1 | -33.5 | 169.3 | -69.7 | 178.8 | 176.3 | -161.6 | -0.6 | 111.9 | E808 K896 S897 L901 R902 | E808-R899 IonicContact OE1-CZ 2.62Å; E808-R899 IonicContact OE1-NH1 3.96Å; E808-R899 PolarHBondContact OE1-NH1 2.95Å; K896-R899 WeakPolarHBondContact O-CB 3.34Å; K896-R899 WeakPolarHBondContact O-CG 3.26Å; K896-R899 PolarHBondContact O-N 3.44Å; S897-R899 PolarHBondContact O-N 3.47Å; R899-L901 PolarHBondContact O-N 3.46Å; R899-L901 VanDerWaalsContact O-N 3.09Å; R899-R902 VanDerWaalsContact O-CB 3.29Å; R899-R902 WeakPolarHBondContact O-CB 2.99Å; R899-R902 WeakPolarHBondContact O-CG 3.38Å; R899-R902 PolarHBondContact O-N 3.43Å |
| 900 | V | 66.5 | Low | 63.7 | Low | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -50.7 | -37.8 | -179.1 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | S897 L898 R902 V903 V1276 Q1279 | S897-V900 VanDerWaalsContact O-CB 3.26Å; S897-V900 WeakPolarHBondContact O-CB 3.22Å; S897-V900 WeakPolarHBondContact O-CG2 3.21Å; S897-V900 PolarHBondContact O-N 2.76Å; S897-V900 VanDerWaalsContact O-N 3.15Å; L898-V900 PolarHBondContact O-N 3.18Å; V900-R902 PolarHBondContact O-N 3.28Å; V900-V903 VanDerWaalsContact O-CB 3.24Å; V900-V903 WeakPolarHBondContact O-CB 3.49Å; V900-V903 WeakPolarHBondContact O-CG1 3.16Å; V900-V903 PolarHBondContact O-N 2.99Å; V900-V1276 HydrophobicContact CG1-CG2 3.75Å; V900-Q1279 HydrophobicContact CG2-CB 4.38Å; V900-Q1279 VanDerWaalsContact CG2-OE1 3.24Å |
| 901 | L | 69.1 | Low | 64.9 | Low | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -60.1 | -18 | -179.4 | -64.1 | 175.7 | 0 | 0 | 0 | 113.8 | V864 F867 L898 R899 V903 L904 | V864-L901 WeakPolarHBondContact CG2-O 3.25Å; F867-L901 HydrophobicContact CD2-CD1 3.38Å; F867-L901 HydrophobicContact CE2-CD1 3.58Å; F867-L901 HydrophobicContact CG-CD1 4.09Å; F867-L901 HydrophobicContact CZ-CD1 4.45Å; L898-L901 HydrophobicContact CD2-CD1 4.2Å; L898-L901 PolarHBondContact O-N 3.38Å; R899-L901 PolarHBondContact O-N 3.46Å; R899-L901 VanDerWaalsContact O-N 3.09Å; L901-V903 PolarHBondContact O-N 2.98Å; L901-L904 HydrophobicContact CD2-CD1 4.12Å; L901-L904 WeakPolarHBondContact O-CB 3.17Å; L901-L904 WeakPolarHBondContact O-CG 3.46Å; L901-L904 PolarHBondContact O-N 3.24Å |
| 902 | R | 70.6 | Confident | 65.9 | Low | 22 Ų | 22 | 45.5 Ų | 45.5 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -67.6 | -21.9 | 172.6 | -62.7 | 176.6 | 175.7 | 170 | -1 | 112.8 | L805 D825 V864 R899 V900 L904 R905 | L805-R902 HydrophobicContact CD1-CB 3.97Å; D825-R902 IonicContact OD1-CZ 2.78Å; D825-R902 IonicContact OD1-NH1 3.56Å; D825-R902 PolarHBondContact OD1-NH1 2.79Å; D825-R902 VanDerWaalsContact OD1-NH1 3.13Å; D825-R902 IonicContact OD2-CZ 2.88Å; D825-R902 IonicContact OD2-NH1 3.64Å; D825-R902 PolarHBondContact OD2-NH1 3.48Å; V864-R902 HydrophobicContact CG1-CG 4.46Å; R899-R902 VanDerWaalsContact O-CB 3.29Å; R899-R902 WeakPolarHBondContact O-CB 2.99Å; R899-R902 WeakPolarHBondContact O-CG 3.38Å; R899-R902 PolarHBondContact O-N 3.43Å; V900-R902 PolarHBondContact O-N 3.28Å; R902-L904 PolarHBondContact O-N 3.13Å; R902-L904 VanDerWaalsContact O-N 3.11Å; R902-R905 WeakPolarHBondContact O-CB 3.4Å; R902-R905 VanDerWaalsContact O-CG 3.24Å; R902-R905 WeakPolarHBondContact O-CG 3.17Å; R902-R905 PolarHBondContact O-N 2.99Å; R902-R905 VanDerWaalsContact O-N 3.07Å |
| 903 | V | 70.3 | Confident | 67 | Low | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -62.8 | -14.9 | 174.6 | 88.1 | 0 | 0 | 0 | 0 | 113.1 | V900 L901 R905 P906 F1271 I1272 I1275 | V900-V903 VanDerWaalsContact O-CB 3.24Å; V900-V903 WeakPolarHBondContact O-CB 3.49Å; V900-V903 WeakPolarHBondContact O-CG1 3.16Å; V900-V903 PolarHBondContact O-N 2.99Å; L901-V903 PolarHBondContact O-N 2.98Å; V903-R905 VanDerWaalsContact C-N 3.32Å; V903-P906 WeakPolarHBondContact O-CD 3.43Å; V903-F1271 HydrophobicContact CG2-CD1 4.37Å; V903-F1271 HydrophobicContact CG2-CE1 4.11Å; V903-I1272 HydrophobicContact CG1-CG2 4.06Å; V903-I1272 HydrophobicContact CG2-CB 4.39Å; V903-I1272 HydrophobicContact CG2-CG1 4.18Å; V903-I1275 HydrophobicContact CB-CG2 4.4Å; V903-I1275 HydrophobicContact CG2-CB 3.73Å; V903-I1275 HydrophobicContact CG2-CG1 4.08Å; V903-I1275 HydrophobicContact CG2-CG2 3.91Å |
| 904 | L | 72.9 | Confident | 67.8 | Low | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -78.8 | -13.3 | 176.5 | -55.7 | 176.8 | 0 | 0 | 0 | 112.9 | L860 L901 R902 L907 | L860-L904 HydrophobicContact CD1-CB 4.24Å; L860-L904 HydrophobicContact CD1-CD1 4.04Å; L860-L904 HydrophobicContact CD2-CB 4.44Å; L901-L904 HydrophobicContact CD2-CD1 4.12Å; L901-L904 WeakPolarHBondContact O-CB 3.17Å; L901-L904 WeakPolarHBondContact O-CG 3.46Å; L901-L904 PolarHBondContact O-N 3.24Å; R902-L904 PolarHBondContact O-N 3.13Å; R902-L904 VanDerWaalsContact O-N 3.11Å; L904-L907 HydrophobicContact CB-CD1 4.01Å; L904-L907 HydrophobicContact CD2-CD1 3.75Å; L904-L907 HydrophobicContact CG-CD1 4.47Å; L904-L907 WeakPolarHBondContact O-CB 3.23Å; L904-L907 PolarHBondContact O-N 3.17Å |
| 905 | R | 69.8 | Low | 68.5 | Low | 9 Ų | 9 | 44.6 Ų | 44.6 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -54.6 | -44.2 | 179.9 | -71 | 172.4 | 176.2 | 168.9 | 1.4 | 113.1 | I798 S801 D825 V864 R902 V903 L907 K908 | I798-R905 HydrophobicContact CG2-CB 4.12Å; S801-R905 PolarHBondContact OG-NH1 3.44Å; D825-R905 IonicContact OD1-NH1 3.55Å; V864-R905 HydrophobicContact CG1-CG 3.92Å; R902-R905 WeakPolarHBondContact O-CB 3.4Å; R902-R905 VanDerWaalsContact O-CG 3.24Å; R902-R905 WeakPolarHBondContact O-CG 3.17Å; R902-R905 PolarHBondContact O-N 2.99Å; R902-R905 VanDerWaalsContact O-N 3.07Å; V903-R905 VanDerWaalsContact C-N 3.32Å; R905-L907 PolarHBondContact O-N 3.32Å; R905-L907 VanDerWaalsContact O-N 3.16Å; R905-K908 WeakPolarHBondContact O-CB 3.23Å; R905-K908 PolarHBondContact O-N 3.12Å |
| 906 | P | 69.6 | Low | 69.2 | Low | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -49.3 | -28.6 | 169.3 | -35.1 | 36.7 | 0 | 0 | 0 | 117.2 | S802 V903 K908 T909 M1268 F1271 | S802-P906 WeakPolarHBondContact OG-CG 3.49Å; V903-P906 WeakPolarHBondContact O-CD 3.43Å; P906-K908 PolarHBondContact O-N 3.04Å; P906-K908 VanDerWaalsContact O-N 3.12Å; P906-T909 WeakPolarHBondContact O-CB 3.41Å; P906-T909 WeakPolarHBondContact O-CG2 3.2Å; P906-T909 PolarHBondContact O-N 3.17Å; P906-T909 PolarHBondContact O-OG1 3.11Å; P906-M1268 HydrophobicContact CB-CE 3.78Å; P906-M1268 HydrophobicContact CB-SD 4.43Å; P906-F1271 HydrophobicContact CG-CD1 4.4Å; P906-F1271 HydrophobicContact CG-CE1 4.11Å |
| 907 | L | 72.1 | Confident | 70.2 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.6 | -178.5 | -66.2 | 160.3 | 0 | 0 | 0 | 112.2 | W857 L860 L904 R905 T909 I910 M1268 I1272 | W857-L907 HydrophobicContact CH2-CB 4.16Å; W857-L907 HydrophobicContact CZ3-CB 3.67Å; W857-L907 VanDerWaalsContact CZ3-O 3.29Å; W857-L907 WeakPolarHBondContact CZ3-O 3.24Å; L860-L907 HydrophobicContact CD2-CB 4.45Å; L904-L907 HydrophobicContact CB-CD1 4.01Å; L904-L907 HydrophobicContact CD2-CD1 3.75Å; L904-L907 HydrophobicContact CG-CD1 4.47Å; L904-L907 WeakPolarHBondContact O-CB 3.23Å; L904-L907 PolarHBondContact O-N 3.17Å; R905-L907 PolarHBondContact O-N 3.32Å; R905-L907 VanDerWaalsContact O-N 3.16Å; L907-T909 PolarHBondContact O-N 3.2Å; L907-T909 VanDerWaalsContact O-N 3.1Å; L907-I910 HydrophobicContact CD2-CD1 3.85Å; L907-I910 WeakPolarHBondContact O-CB 3.4Å; L907-I910 PolarHBondContact O-N 3.3Å; L907-M1268 HydrophobicContact CB-CE 4.14Å; L907-M1268 HydrophobicContact CD2-CE 3.31Å; L907-M1268 HydrophobicContact CG-CE 3.49Å; L907-M1268 VanDerWaalsContact CG-CE 3.49Å; L907-I1272 HydrophobicContact CD2-CD1 4.48Å |
| 908 | K | 70.1 | Confident | 70.6 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 11% | 0.109 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.5 | -28.4 | 169.5 | -73.7 | -174.6 | 163.9 | -162.4 | 0 | 113.8 | I798 E835 D861 R905 P906 I910 | I798-K908 HydrophobicContact CD1-CB 4.04Å; I798-K908 HydrophobicContact CD1-CD 3.27Å; I798-K908 HydrophobicContact CD1-CG 4.26Å; I798-K908 HydrophobicContact CG1-CD 4.15Å; E835-K908 VanDerWaalsContact CD-NZ 3.3Å; E835-K908 IonicContact OE1-NZ 3.95Å; E835-K908 PolarHBondContact OE1-NZ 3.09Å; E835-K908 IonicContact OE2-NZ 2.68Å; E835-K908 PolarHBondContact OE2-NZ 3.39Å; D861-K908 VanDerWaalsContact CG-NZ 3.29Å; D861-K908 WeakPolarHBondContact OD1-CE 3.16Å; D861-K908 IonicContact OD1-NZ 2.81Å; D861-K908 PolarHBondContact OD1-NZ 3.35Å; D861-K908 WeakPolarHBondContact OD2-CE 2.94Å; D861-K908 IonicContact OD2-NZ 2.66Å; D861-K908 PolarHBondContact OD2-NZ 3.29Å; R905-K908 WeakPolarHBondContact O-CB 3.23Å; R905-K908 PolarHBondContact O-N 3.12Å; P906-K908 PolarHBondContact O-N 3.04Å; P906-K908 VanDerWaalsContact O-N 3.12Å; K908-I910 VanDerWaalsContact C-N 3.34Å |
| 909 | T | 71.1 | Confident | 70.9 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.5 | -30.4 | -177.3 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | P906 L907 N911 R912 V913 | P906-T909 WeakPolarHBondContact O-CB 3.41Å; P906-T909 WeakPolarHBondContact O-CG2 3.2Å; P906-T909 PolarHBondContact O-N 3.17Å; P906-T909 PolarHBondContact O-OG1 3.11Å; L907-T909 PolarHBondContact O-N 3.2Å; L907-T909 VanDerWaalsContact O-N 3.1Å; T909-N911 PolarHBondContact O-N 2.92Å; T909-R912 PolarHBondContact O-N 2.76Å; T909-V913 PolarHBondContact O-N 2.99Å |
| 910 | I | 75.7 | Confident | 71.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -50.8 | -179.9 | -61.9 | 176 | 0 | 0 | 0 | 110.5 | L907 K908 R912 V913 L916 F920 M1268 | L907-I910 HydrophobicContact CD2-CD1 3.85Å; L907-I910 WeakPolarHBondContact O-CB 3.4Å; L907-I910 PolarHBondContact O-N 3.3Å; K908-I910 VanDerWaalsContact C-N 3.34Å; I910-R912 PolarHBondContact O-N 3.47Å; I910-V913 PolarHBondContact O-N 3.33Å; I910-L916 HydrophobicContact CB-CD2 4.48Å; I910-L916 HydrophobicContact CG1-CD2 4.1Å; I910-L916 HydrophobicContact CG1-CG 4.32Å; I910-L916 HydrophobicContact CG2-CG 4.38Å; I910-F920 HydrophobicContact CD1-CD2 3.89Å; I910-F920 HydrophobicContact CD1-CE2 3.89Å; I910-F920 HydrophobicContact CD1-CG 4.33Å; I910-F920 HydrophobicContact CD1-CZ 4.31Å; I910-F920 HydrophobicContact CG2-CB 3.65Å; I910-F920 HydrophobicContact CG2-CD1 3.75Å; I910-F920 HydrophobicContact CG2-CD2 4.28Å; I910-F920 HydrophobicContact CG2-CE1 4.4Å; I910-F920 HydrophobicContact CG2-CG 3.65Å; I910-M1268 HydrophobicContact CD1-SD 4.4Å; I910-M1268 HydrophobicContact CG1-SD 4.5Å |
| 911 | N | 70.2 | Confident | 71.9 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -24 | 177.8 | -93.7 | -26.7 | 0 | 0 | 0 | 114.5 | W857 T909 K917 | W857-N911 PolarHBondContact NE1-ND2 3.2Å; T909-N911 PolarHBondContact O-N 2.92Å; N911-K917 PolarHBondContact OD1-NZ 3.37Å |
| 912 | R | 72.9 | Confident | 72 | Confident | 75 Ų | 75 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -90.5 | -19.9 | -175.6 | -72.5 | -178.9 | 169.5 | 172.3 | -2.5 | 113.4 | D791 M795 T909 I910 P914 | D791-R912 PolarHBondContact O-NH1 3.46Å; D791-R912 PolarHBondContact O-NH2 3.46Å; D791-R912 VanDerWaalsContact O-NH2 3.09Å; D791-R912 IonicContact OD1-CZ 3.32Å; D791-R912 IonicContact OD1-NE 3.23Å; D791-R912 IonicContact OD1-NH2 2.7Å; D791-R912 PolarHBondContact OD1-NH2 2.72Å; M795-R912 VanDerWaalsContact CB-NH1 3.29Å; T909-R912 PolarHBondContact O-N 2.76Å; I910-R912 PolarHBondContact O-N 3.47Å; R912-P914 WeakPolarHBondContact O-CD 3.41Å |
| 913 | V | 73.3 | Confident | 72.3 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -105.6 | 98.1 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 108 | T909 I910 K915 L916 K917 Y1261 | T909-V913 PolarHBondContact O-N 2.99Å; I910-V913 PolarHBondContact O-N 3.33Å; V913-K915 PolarHBondContact O-N 2.95Å; V913-K915 VanDerWaalsContact O-N 3.1Å; V913-L916 HydrophobicContact CB-CB 3.82Å; V913-L916 HydrophobicContact CB-CD2 4.44Å; V913-L916 HydrophobicContact CG1-CB 3.75Å; V913-L916 WeakPolarHBondContact O-CA 3.22Å; V913-L916 WeakPolarHBondContact O-CB 3.43Å; V913-L916 PolarHBondContact O-N 2.57Å; V913-K917 PolarHBondContact O-N 3.29Å; V913-Y1261 HydrophobicContact CG1-CD1 4.11Å; V913-Y1261 HydrophobicContact CG1-CE1 3.95Å |
| 914 | P | 71.1 | Confident | 72.7 | Confident | 95 Ų | 95 | 42 Ų | 42 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -28 | -168.1 | 22.1 | -33.5 | 0 | 0 | 0 | 114 | R912 A918 | R912-P914 WeakPolarHBondContact O-CD 3.41Å; P914-A918 WeakPolarHBondContact O-CB 3.37Å; P914-A918 PolarHBondContact O-N 3.13Å |
| 915 | K | 67 | Low | 72.8 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.6 | -36.9 | 173.1 | -63.7 | -168.5 | -178.6 | -165.4 | 0 | 112.8 | V913 A918 V919 Y1261 | V913-K915 PolarHBondContact O-N 2.95Å; V913-K915 VanDerWaalsContact O-N 3.1Å; K915-A918 PolarHBondContact O-N 3.04Å; K915-V919 WeakPolarHBondContact O-CG2 3.07Å; K915-V919 PolarHBondContact O-N 3.28Å; K915-V919 VanDerWaalsContact O-N 3.13Å; K915-Y1261 HydrophobicContact CB-CD1 3.89Å; K915-Y1261 HydrophobicContact CB-CD2 4.01Å; K915-Y1261 HydrophobicContact CB-CE1 3.76Å; K915-Y1261 HydrophobicContact CB-CE2 3.92Å; K915-Y1261 HydrophobicContact CB-CG 4.04Å; K915-Y1261 HydrophobicContact CD-CE1 4.45Å; K915-Y1261 HydrophobicContact CD-CE2 3.73Å; K915-Y1261 HydrophobicContact CG-CE2 4.47Å |
| 916 | L | 72.3 | Confident | 73.1 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -38.2 | 172.6 | -178.9 | 60 | 0 | 0 | 0 | 110.9 | I910 V913 V919 F920 Y1261 L1264 | I910-L916 HydrophobicContact CB-CD2 4.48Å; I910-L916 HydrophobicContact CG1-CD2 4.1Å; I910-L916 HydrophobicContact CG1-CG 4.32Å; I910-L916 HydrophobicContact CG2-CG 4.38Å; V913-L916 HydrophobicContact CB-CB 3.82Å; V913-L916 HydrophobicContact CB-CD2 4.44Å; V913-L916 HydrophobicContact CG1-CB 3.75Å; V913-L916 WeakPolarHBondContact O-CA 3.22Å; V913-L916 WeakPolarHBondContact O-CB 3.43Å; V913-L916 PolarHBondContact O-N 2.57Å; L916-V919 PolarHBondContact O-N 2.83Å; L916-F920 VanDerWaalsContact O-CB 3.32Å; L916-F920 WeakPolarHBondContact O-CB 3.49Å; L916-F920 PolarHBondContact O-N 3.23Å; L916-Y1261 HydrophobicContact CB-CD1 4.28Å; L916-Y1261 WeakPolarHBondContact CD1-O 3.33Å; L916-L1264 HydrophobicContact CD1-CD2 4.15Å; L916-L1264 HydrophobicContact CD2-CD1 4.27Å; L916-L1264 HydrophobicContact CD2-CD2 3.56Å |
| 917 | K | 76.9 | Confident | 73.5 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 170.5 | 179.1 | 164.2 | -173.6 | 151.9 | 0 | 112.1 | N911 V913 V919 F920 D921 | N911-K917 PolarHBondContact OD1-NZ 3.37Å; V913-K917 PolarHBondContact O-N 3.29Å; K917-V919 VanDerWaalsContact C-N 3.29Å; K917-V919 PolarHBondContact O-N 3.38Å; K917-F920 PolarHBondContact O-N 3.3Å; K917-F920 VanDerWaalsContact O-N 3.08Å; K917-D921 WeakPolarHBondContact CE-OD2 3.27Å; K917-D921 VanDerWaalsContact CG-OD2 3.28Å; K917-D921 WeakPolarHBondContact CG-OD2 3.37Å; K917-D921 WeakPolarHBondContact O-CB 3.4Å; K917-D921 PolarHBondContact O-N 3.12Å |
| 918 | A | 70.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P914 K915 C922 | P914-A918 WeakPolarHBondContact O-CB 3.37Å; P914-A918 PolarHBondContact O-N 3.13Å; K915-A918 PolarHBondContact O-N 3.04Å; A918-C922 WeakPolarHBondContact O-CB 3.14Å; A918-C922 PolarHBondContact O-N 2.95Å |
| 919 | V | 71.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 171.8 | 166.5 | 0 | 0 | 0 | 0 | 111.9 | K915 L916 K917 C922 V923 V1262 | K915-V919 WeakPolarHBondContact O-CG2 3.07Å; K915-V919 PolarHBondContact O-N 3.28Å; K915-V919 VanDerWaalsContact O-N 3.13Å; L916-V919 PolarHBondContact O-N 2.83Å; K917-V919 VanDerWaalsContact C-N 3.29Å; K917-V919 PolarHBondContact O-N 3.38Å; V919-C922 WeakPolarHBondContact O-CB 3.26Å; V919-C922 PolarHBondContact O-N 2.64Å; V919-V923 WeakPolarHBondContact O-CG2 3.25Å; V919-V923 PolarHBondContact O-N 3.31Å; V919-V1262 HydrophobicContact CG1-CG2 3.87Å; V919-V1262 HydrophobicContact CG2-CG2 4.28Å |
| 920 | F | 76.9 | Confident | 74.1 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | -179.4 | -178.7 | -104 | 0 | 0 | 0 | 112.9 | W857 I910 L916 K917 C922 V923 I924 L1265 | W857-F920 HydrophobicContact CZ2-CE1 4.2Å; I910-F920 HydrophobicContact CD1-CD2 3.89Å; I910-F920 HydrophobicContact CD1-CE2 3.89Å; I910-F920 HydrophobicContact CD1-CG 4.33Å; I910-F920 HydrophobicContact CD1-CZ 4.31Å; I910-F920 HydrophobicContact CG2-CB 3.65Å; I910-F920 HydrophobicContact CG2-CD1 3.75Å; I910-F920 HydrophobicContact CG2-CD2 4.28Å; I910-F920 HydrophobicContact CG2-CE1 4.4Å; I910-F920 HydrophobicContact CG2-CG 3.65Å; L916-F920 VanDerWaalsContact O-CB 3.32Å; L916-F920 WeakPolarHBondContact O-CB 3.49Å; L916-F920 PolarHBondContact O-N 3.23Å; K917-F920 PolarHBondContact O-N 3.3Å; K917-F920 VanDerWaalsContact O-N 3.08Å; F920-C922 VanDerWaalsContact C-N 3.3Å; F920-C922 PolarHBondContact O-N 2.86Å; F920-V923 PolarHBondContact O-N 3.17Å; F920-I924 HydrophobicContact CD1-CD1 3.86Å; F920-I924 HydrophobicContact CE1-CD1 3.34Å; F920-I924 HydrophobicContact CE1-CG1 4.43Å; F920-I924 HydrophobicContact CE2-CD1 4.25Å; F920-I924 HydrophobicContact CZ-CD1 3.58Å; F920-I924 HydrophobicContact CZ-CG1 4.49Å; F920-I924 WeakPolarHBondContact O-CG1 3.4Å; F920-I924 PolarHBondContact O-N 3.25Å; F920-L1265 HydrophobicContact CD2-CD1 4.23Å |
| 921 | D | 76.3 | Confident | 74.2 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 175.5 | -69.1 | -13.6 | 0 | 0 | 0 | 110.4 | K917 S925 | K917-D921 WeakPolarHBondContact CE-OD2 3.27Å; K917-D921 VanDerWaalsContact CG-OD2 3.28Å; K917-D921 WeakPolarHBondContact CG-OD2 3.37Å; K917-D921 WeakPolarHBondContact O-CB 3.4Å; K917-D921 PolarHBondContact O-N 3.12Å; D921-S925 VanDerWaalsContact O-CB 3.3Å; D921-S925 WeakPolarHBondContact O-CB 3.26Å; D921-S925 PolarHBondContact O-N 3.26Å |
| 922 | C | 72.1 | Confident | 74.3 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 169.5 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | A918 V919 F920 I924 S925 S926 Q1067 | A918-C922 WeakPolarHBondContact O-CB 3.14Å; A918-C922 PolarHBondContact O-N 2.95Å; V919-C922 WeakPolarHBondContact O-CB 3.26Å; V919-C922 PolarHBondContact O-N 2.64Å; F920-C922 VanDerWaalsContact C-N 3.3Å; F920-C922 PolarHBondContact O-N 2.86Å; C922-I924 VanDerWaalsContact C-N 3.33Å; C922-I924 PolarHBondContact O-N 3.4Å; C922-S925 WeakPolarHBondContact O-CB 3.15Å; C922-S925 PolarHBondContact O-N 3.49Å; C922-S925 VanDerWaalsContact O-N 3.12Å; C922-S926 PolarHBondContact O-N 3.48Å; C922-Q1067 PolarHBondContact SG-NE2 2.88Å; C922-Q1067 VanDerWaalsContact SG-NE2 3.39Å; C922-Q1067 PolarHBondContact SG-OE1 3.44Å |
| 923 | V | 75.7 | Confident | 74.5 | Confident | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 178.3 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | V919 F920 S926 L927 F1355 | V919-V923 WeakPolarHBondContact O-CG2 3.25Å; V919-V923 PolarHBondContact O-N 3.31Å; F920-V923 PolarHBondContact O-N 3.17Å; V923-S926 PolarHBondContact O-OG 2.9Å; V923-S926 VanDerWaalsContact O-OG 3.11Å; V923-L927 HydrophobicContact CG1-CD1 4.3Å; V923-L927 VanDerWaalsContact O-CB 3.28Å; V923-L927 WeakPolarHBondContact O-CB 3.49Å; V923-L927 VanDerWaalsContact O-CG 3.23Å; V923-L927 WeakPolarHBondContact O-CG 3.36Å; V923-L927 PolarHBondContact O-N 3.07Å; V923-F1355 HydrophobicContact CG1-CE1 3.77Å; V923-F1355 HydrophobicContact CG1-CZ 4.31Å |
| 924 | I | 79.1 | Confident | 74.7 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 172.4 | -73.7 | 179.8 | 0 | 0 | 0 | 111.6 | F920 C922 L927 K928 | F920-I924 HydrophobicContact CD1-CD1 3.86Å; F920-I924 HydrophobicContact CE1-CD1 3.34Å; F920-I924 HydrophobicContact CE1-CG1 4.43Å; F920-I924 HydrophobicContact CE2-CD1 4.25Å; F920-I924 HydrophobicContact CZ-CD1 3.58Å; F920-I924 HydrophobicContact CZ-CG1 4.49Å; F920-I924 WeakPolarHBondContact O-CG1 3.4Å; F920-I924 PolarHBondContact O-N 3.25Å; C922-I924 VanDerWaalsContact C-N 3.33Å; C922-I924 PolarHBondContact O-N 3.4Å; I924-L927 WeakPolarHBondContact O-CB 3.41Å; I924-L927 PolarHBondContact O-N 3.31Å; I924-K928 PolarHBondContact O-N 2.74Å |
| 925 | S | 74.7 | Confident | 75.1 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.4 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | D921 C922 K928 | D921-S925 VanDerWaalsContact O-CB 3.3Å; D921-S925 WeakPolarHBondContact O-CB 3.26Å; D921-S925 PolarHBondContact O-N 3.26Å; C922-S925 WeakPolarHBondContact O-CB 3.15Å; C922-S925 PolarHBondContact O-N 3.49Å; C922-S925 VanDerWaalsContact O-N 3.12Å; S925-K928 PolarHBondContact O-N 2.94Å |
| 926 | S | 76.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 174.3 | 74.1 | 0 | 0 | 0 | 0 | 112 | C922 V923 K928 N929 V930 | C922-S926 PolarHBondContact O-N 3.48Å; V923-S926 PolarHBondContact O-OG 2.9Å; V923-S926 VanDerWaalsContact O-OG 3.11Å; S926-K928 PolarHBondContact O-N 3.22Å; S926-K928 VanDerWaalsContact O-N 3.13Å; S926-N929 PolarHBondContact O-N 2.76Å; S926-V930 VanDerWaalsContact O-CG2 3.28Å; S926-V930 WeakPolarHBondContact O-CG2 3.17Å; S926-V930 PolarHBondContact O-N 3.33Å |
| 927 | L | 76.9 | Confident | 75.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -53.5 | -33.6 | 175.3 | -88.5 | 170.4 | 0 | 0 | 0 | 113.3 | V923 I924 N929 V930 F931 F1355 | V923-L927 HydrophobicContact CG1-CD1 4.3Å; V923-L927 VanDerWaalsContact O-CB 3.28Å; V923-L927 WeakPolarHBondContact O-CB 3.49Å; V923-L927 VanDerWaalsContact O-CG 3.23Å; V923-L927 WeakPolarHBondContact O-CG 3.36Å; V923-L927 PolarHBondContact O-N 3.07Å; I924-L927 WeakPolarHBondContact O-CB 3.41Å; I924-L927 PolarHBondContact O-N 3.31Å; L927-N929 VanDerWaalsContact C-N 3.34Å; L927-N929 PolarHBondContact O-N 3.11Å; L927-V930 HydrophobicContact CD2-CG1 4.43Å; L927-V930 PolarHBondContact O-N 2.95Å; L927-F931 VanDerWaalsContact O-CB 3.27Å; L927-F931 WeakPolarHBondContact O-CB 3.29Å; L927-F931 PolarHBondContact O-N 3.25Å; L927-F1355 HydrophobicContact CD1-CE1 4.23Å; L927-F1355 HydrophobicContact CD2-CD1 4.21Å; L927-F1355 HydrophobicContact CD2-CE1 3.5Å; L927-F1355 VanDerWaalsContact CD2-CE1 3.5Å; L927-F1355 HydrophobicContact CD2-CZ 3.81Å; L927-F1355 HydrophobicContact CG-CE1 3.62Å; L927-F1355 HydrophobicContact CG-CZ 3.84Å |
| 928 | K | 77.1 | Confident | 76.2 | Confident | 157 Ų | 157 | 53.3 Ų | 53.3 | 68% | 0.683 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 175.2 | -174.7 | 178.6 | 178.2 | -179.3 | 0 | 112.9 | I924 S925 S926 N932 | I924-K928 PolarHBondContact O-N 2.74Å; S925-K928 PolarHBondContact O-N 2.94Å; S926-K928 PolarHBondContact O-N 3.22Å; S926-K928 VanDerWaalsContact O-N 3.13Å; K928-N932 PolarHBondContact O-ND2 3.44Å |
| 929 | N | 73.2 | Confident | 76.6 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -79.6 | -41.2 | 177.2 | -68.8 | -17.3 | 0 | 0 | 0 | 111 | S926 L927 F931 N932 I933 L1059 | S926-N929 PolarHBondContact O-N 2.76Å; L927-N929 VanDerWaalsContact C-N 3.34Å; L927-N929 PolarHBondContact O-N 3.11Å; N929-F931 VanDerWaalsContact C-N 3.28Å; N929-F931 PolarHBondContact O-N 3.22Å; N929-N932 WeakPolarHBondContact O-CB 3.45Å; N929-N932 PolarHBondContact O-N 3.36Å; N929-N932 VanDerWaalsContact O-N 3.16Å; N929-I933 PolarHBondContact O-N 3.46Å; N929-L1059 HydrophobicContact CB-CD1 4.08Å |
| 930 | V | 76.2 | Confident | 77 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | S926 L927 N932 I933 L934 F1056 I1060 F1355 | S926-V930 VanDerWaalsContact O-CG2 3.28Å; S926-V930 WeakPolarHBondContact O-CG2 3.17Å; S926-V930 PolarHBondContact O-N 3.33Å; L927-V930 HydrophobicContact CD2-CG1 4.43Å; L927-V930 PolarHBondContact O-N 2.95Å; V930-N932 VanDerWaalsContact C-N 3.34Å; V930-N932 PolarHBondContact O-N 2.93Å; V930-I933 CarbonylContact O-C 2.9Å; V930-I933 WeakPolarHBondContact O-CB 3.38Å; V930-I933 PolarHBondContact O-N 3.42Å; V930-I933 VanDerWaalsContact O-N 3.14Å; V930-L934 WeakPolarHBondContact O-CB 3.35Å; V930-L934 PolarHBondContact O-N 3.29Å; V930-F1056 HydrophobicContact CB-CE1 4.47Å; V930-F1056 HydrophobicContact CG1-CD1 4.06Å; V930-F1056 HydrophobicContact CG1-CE1 3.77Å; V930-F1056 HydrophobicContact CG2-CD1 4.36Å; V930-I1060 HydrophobicContact CG2-CG1 4.44Å; V930-F1355 HydrophobicContact CB-CE2 4.49Å; V930-F1355 HydrophobicContact CG1-CE2 4.18Å; V930-F1355 HydrophobicContact CG2-CE2 3.72Å; V930-F1355 HydrophobicContact CG2-CZ 4.16Å |
| 931 | F | 77.3 | Confident | 77.3 | Confident | 126 Ų | 126 | 50.5 Ų | 50.5 | 55% | 0.553 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.8 | -38.6 | 176.7 | -174.4 | -103.7 | 0 | 0 | 0 | 112.7 | L927 N929 L934 I935 | L927-F931 VanDerWaalsContact O-CB 3.27Å; L927-F931 WeakPolarHBondContact O-CB 3.29Å; L927-F931 PolarHBondContact O-N 3.25Å; N929-F931 VanDerWaalsContact C-N 3.28Å; N929-F931 PolarHBondContact O-N 3.22Å; F931-L934 PolarHBondContact O-N 3.43Å; F931-I935 HydrophobicContact CD1-CD1 4.07Å; F931-I935 HydrophobicContact CE1-CD1 3.76Å; F931-I935 HydrophobicContact CE1-CG1 4.35Å; F931-I935 HydrophobicContact CZ-CD1 4.35Å; F931-I935 WeakPolarHBondContact O-CG1 3.49Å; F931-I935 PolarHBondContact O-N 3.35Å |
| 932 | N | 74.2 | Confident | 77.7 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.1 | -68.3 | -49.9 | 0 | 0 | 0 | 111.8 | K928 N929 V930 | K928-N932 PolarHBondContact O-ND2 3.44Å; N929-N932 WeakPolarHBondContact O-CB 3.45Å; N929-N932 PolarHBondContact O-N 3.36Å; N929-N932 VanDerWaalsContact O-N 3.16Å; V930-N932 VanDerWaalsContact C-N 3.34Å; V930-N932 PolarHBondContact O-N 2.93Å |
| 933 | I | 76.7 | Confident | 78.2 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 172.2 | -55.3 | 160.6 | 0 | 0 | 0 | 110.4 | N929 V930 I935 V936 Y937 F1052 I1055 F1056 L1059 | N929-I933 PolarHBondContact O-N 3.46Å; V930-I933 CarbonylContact O-C 2.9Å; V930-I933 WeakPolarHBondContact O-CB 3.38Å; V930-I933 PolarHBondContact O-N 3.42Å; V930-I933 VanDerWaalsContact O-N 3.14Å; I933-I935 VanDerWaalsContact C-N 3.29Å; I933-I935 PolarHBondContact O-N 3.18Å; I933-V936 CarbonylContact O-C 3.59Å; I933-V936 VanDerWaalsContact O-CA 3.31Å; I933-V936 WeakPolarHBondContact O-CA 3.28Å; I933-V936 VanDerWaalsContact O-CB 3.29Å; I933-V936 WeakPolarHBondContact O-CB 3.47Å; I933-V936 PolarHBondContact O-N 3.24Å; I933-Y937 PolarHBondContact O-N 3Å; I933-F1052 HydrophobicContact CG2-CD1 4.2Å; I933-I1055 HydrophobicContact CB-CG2 4.49Å; I933-I1055 HydrophobicContact CD1-CG2 3.61Å; I933-I1055 HydrophobicContact CG1-CG2 3.73Å; I933-I1055 HydrophobicContact CG2-CG2 3.87Å; I933-F1056 HydrophobicContact CB-CD1 4.12Å; I933-F1056 HydrophobicContact CB-CE1 3.59Å; I933-F1056 HydrophobicContact CB-CZ 4.18Å; I933-F1056 HydrophobicContact CD1-CD1 3.63Å; I933-F1056 HydrophobicContact CD1-CE1 4.01Å; I933-F1056 HydrophobicContact CD1-CG 4.44Å; I933-F1056 HydrophobicContact CG1-CE1 4.44Å; I933-F1056 HydrophobicContact CG2-CD1 3.97Å; I933-F1056 HydrophobicContact CG2-CE1 3.48Å; I933-F1056 VanDerWaalsContact CG2-CE1 3.48Å; I933-F1056 HydrophobicContact CG2-CE2 4.24Å; I933-F1056 HydrophobicContact CG2-CZ 3.64Å; I933-L1059 HydrophobicContact CD1-CB 4.14Å; I933-L1059 HydrophobicContact CD1-CD1 3.51Å; I933-L1059 HydrophobicContact CD1-CG 3.84Å; I933-L1059 HydrophobicContact CG1-CD1 3.96Å |
| 934 | L | 77.7 | Confident | 78.7 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | -177.3 | -174.1 | 141.3 | 0 | 0 | 0 | 111.8 | V930 F931 V936 Y937 W938 F1351 | V930-L934 WeakPolarHBondContact O-CB 3.35Å; V930-L934 PolarHBondContact O-N 3.29Å; F931-L934 PolarHBondContact O-N 3.43Å; L934-V936 VanDerWaalsContact C-N 3.3Å; L934-V936 PolarHBondContact O-N 3.3Å; L934-Y937 WeakPolarHBondContact O-CB 3.46Å; L934-Y937 PolarHBondContact O-N 3.07Å; L934-W938 VanDerWaalsContact O-CD1 3.28Å; L934-W938 PolarHBondContact O-N 3.11Å; L934-F1351 HydrophobicContact CD1-CE1 4.09Å; L934-F1351 HydrophobicContact CD1-CE2 3.97Å; L934-F1351 HydrophobicContact CD1-CZ 3.48Å; L934-F1351 VanDerWaalsContact CD1-CZ 3.48Å |
| 935 | I | 78.6 | Confident | 79.2 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -34.5 | 170.5 | -56.7 | 159.4 | 0 | 0 | 0 | 111.2 | W515 F931 I933 L939 | W515-I935 HydrophobicContact CH2-CB 4.38Å; W515-I935 HydrophobicContact CH2-CG2 3.72Å; W515-I935 HydrophobicContact CZ3-CG2 4.35Å; F931-I935 HydrophobicContact CD1-CD1 4.07Å; F931-I935 HydrophobicContact CE1-CD1 3.76Å; F931-I935 HydrophobicContact CE1-CG1 4.35Å; F931-I935 HydrophobicContact CZ-CD1 4.35Å; F931-I935 WeakPolarHBondContact O-CG1 3.49Å; F931-I935 PolarHBondContact O-N 3.35Å; I933-I935 VanDerWaalsContact C-N 3.29Å; I933-I935 PolarHBondContact O-N 3.18Å; I935-L939 VanDerWaalsContact O-CB 3.28Å; I935-L939 WeakPolarHBondContact O-CB 3.25Å; I935-L939 PolarHBondContact O-N 2.78Å |
| 936 | V | 76.6 | Confident | 79.6 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 111 | L518 L521 I933 L934 L939 F940 F1051 F1052 | L518-V936 HydrophobicContact CD1-CG1 3.96Å; L518-V936 HydrophobicContact CD1-CG2 4.11Å; L521-V936 HydrophobicContact CD1-CG1 4.35Å; L521-V936 HydrophobicContact CD1-CG2 4.48Å; I933-V936 CarbonylContact O-C 3.59Å; I933-V936 VanDerWaalsContact O-CA 3.31Å; I933-V936 WeakPolarHBondContact O-CA 3.28Å; I933-V936 VanDerWaalsContact O-CB 3.29Å; I933-V936 WeakPolarHBondContact O-CB 3.47Å; I933-V936 PolarHBondContact O-N 3.24Å; L934-V936 VanDerWaalsContact C-N 3.3Å; L934-V936 PolarHBondContact O-N 3.3Å; V936-L939 PolarHBondContact O-N 3.08Å; V936-F940 HydrophobicContact CG1-CD2 3.78Å; V936-F940 HydrophobicContact CG1-CE2 3.8Å; V936-F940 WeakPolarHBondContact O-CD2 3.4Å; V936-F940 PolarHBondContact O-N 3.44Å; V936-F1051 HydrophobicContact CG1-CE1 4.31Å; V936-F1051 HydrophobicContact CG1-CZ 4.49Å; V936-F1052 HydrophobicContact CB-CE1 4.48Å; V936-F1052 HydrophobicContact CG1-CE1 4.18Å; V936-F1052 HydrophobicContact CG1-CZ 4.46Å |
| 937 | Y | 80.6 | Confident | 80 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.6 | -54.5 | 172.8 | 175.3 | -82 | 0 | 0 | 0 | 111.3 | I933 L934 L939 F940 Q941 F1008 F1048 F1052 F1056 | I933-Y937 PolarHBondContact O-N 3Å; L934-Y937 WeakPolarHBondContact O-CB 3.46Å; L934-Y937 PolarHBondContact O-N 3.07Å; Y937-L939 VanDerWaalsContact C-N 3.28Å; Y937-L939 PolarHBondContact O-N 3.27Å; Y937-F940 PolarHBondContact O-N 3.15Å; Y937-Q941 WeakPolarHBondContact O-CB 3.48Å; Y937-Q941 PolarHBondContact O-N 3.26Å; Y937-F1008 WeakPolarHBondContact OH-CD2 3.38Å; Y937-F1048 HydrophobicContact CD2-CE1 4.17Å; Y937-F1048 HydrophobicContact CD2-CE2 4.46Å; Y937-F1048 AromaticContact CD2-CZ 3.72Å; Y937-F1048 HydrophobicContact CD2-CZ 3.72Å; Y937-F1048 HydrophobicContact CE1-CZ 4.35Å; Y937-F1048 AromaticContact CE2-CE1 3.46Å; Y937-F1048 HydrophobicContact CE2-CE1 3.46Å; Y937-F1048 VanDerWaalsContact CE2-CE1 3.46Å; Y937-F1048 HydrophobicContact CE2-CE2 4.3Å; Y937-F1048 AromaticContact CE2-CZ 3.2Å; Y937-F1048 HydrophobicContact CE2-CZ 3.2Å; Y937-F1048 HydrophobicContact CG-CZ 4.48Å; Y937-F1048 AromaticContact CZ-CZ 3.56Å; Y937-F1052 VanDerWaalsContact CA-CE1 3.41Å; Y937-F1052 VanDerWaalsContact CA-CZ 3.44Å; Y937-F1052 HydrophobicContact CD2-CB 4.29Å; Y937-F1052 HydrophobicContact CD2-CD1 4.09Å; Y937-F1052 HydrophobicContact CD2-CD2 4.01Å; Y937-F1052 HydrophobicContact CD2-CE2 4.42Å; Y937-F1052 AromaticContact CD2-CG 3.84Å; Y937-F1052 HydrophobicContact CD2-CG 3.84Å; Y937-F1056 HydrophobicContact CD2-CE2 4.41Å |
| 938 | W | 82.4 | Confident | 80.5 | Confident | 138 Ų | 138 | 43.8 Ų | 43.8 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -33.8 | 177.2 | -83.7 | 82.8 | 0 | 0 | 0 | 112.5 | L934 F942 I1004 | L934-W938 VanDerWaalsContact O-CD1 3.28Å; L934-W938 PolarHBondContact O-N 3.11Å; W938-F942 WeakPolarHBondContact O-CB 3.42Å; W938-F942 PolarHBondContact O-N 3.48Å; W938-I1004 HydrophobicContact CH2-CG2 4.35Å; W938-I1004 HydrophobicContact CZ3-CD1 4.42Å; W938-I1004 HydrophobicContact CZ3-CG2 3.99Å |
| 939 | L | 78.7 | Confident | 81 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 18% | 0.183 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 175 | -179.3 | 149.9 | 0 | 0 | 0 | 112.5 | I935 V936 Y937 I943 | I935-L939 VanDerWaalsContact O-CB 3.28Å; I935-L939 WeakPolarHBondContact O-CB 3.25Å; I935-L939 PolarHBondContact O-N 2.78Å; V936-L939 PolarHBondContact O-N 3.08Å; Y937-L939 VanDerWaalsContact C-N 3.28Å; Y937-L939 PolarHBondContact O-N 3.27Å; L939-I943 HydrophobicContact CD2-CD1 3.71Å; L939-I943 HydrophobicContact CG-CD1 4.5Å; L939-I943 VanDerWaalsContact O-CG1 3.28Å; L939-I943 WeakPolarHBondContact O-CG1 3.33Å; L939-I943 PolarHBondContact O-N 2.72Å; L939-I943 VanDerWaalsContact O-N 3.11Å |
| 940 | F | 79.9 | Confident | 81.5 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.8 | -44.2 | 174.9 | -88.1 | -94.9 | 0 | 0 | 0 | 111.8 | V936 Y937 F942 I943 F944 F1051 F1052 | V936-F940 HydrophobicContact CG1-CD2 3.78Å; V936-F940 HydrophobicContact CG1-CE2 3.8Å; V936-F940 WeakPolarHBondContact O-CD2 3.4Å; V936-F940 PolarHBondContact O-N 3.44Å; Y937-F940 PolarHBondContact O-N 3.15Å; F940-F942 VanDerWaalsContact C-N 3.27Å; F940-F942 PolarHBondContact O-N 2.9Å; F940-I943 PolarHBondContact O-N 3.08Å; F940-I943 VanDerWaalsContact O-N 3.08Å; F940-F944 HydrophobicContact CD1-CE2 4.48Å; F940-F944 WeakPolarHBondContact O-CD2 3.2Å; F940-F944 PolarHBondContact O-N 3.4Å; F940-F1051 HydrophobicContact CD2-CE1 4.17Å; F940-F1051 AromaticContact CE2-CE1 3.86Å; F940-F1051 HydrophobicContact CE2-CE1 3.86Å; F940-F1051 HydrophobicContact CE2-CZ 4.47Å; F940-F1051 HydrophobicContact CZ-CE1 4.22Å; F940-F1052 HydrophobicContact CB-CE2 3.88Å; F940-F1052 HydrophobicContact CB-CZ 3.74Å; F940-F1052 AromaticContact CD2-CZ 3.8Å; F940-F1052 HydrophobicContact CD2-CZ 3.8Å; F940-F1052 HydrophobicContact CG-CE2 4.27Å; F940-F1052 AromaticContact CG-CZ 3.91Å; F940-F1052 HydrophobicContact CG-CZ 3.91Å |
| 941 | Q | 83.2 | Confident | 81.8 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 175.7 | -169.3 | 73.3 | -16.3 | 0 | 0 | 110.8 | Y937 F944 A945 I1004 L1007 F1048 | Y937-Q941 WeakPolarHBondContact O-CB 3.48Å; Y937-Q941 PolarHBondContact O-N 3.26Å; Q941-F944 PolarHBondContact O-N 2.99Å; Q941-A945 WeakPolarHBondContact O-CB 3.48Å; Q941-A945 PolarHBondContact O-N 2.95Å; Q941-I1004 HydrophobicContact CG-CG1 4.35Å; Q941-I1004 HydrophobicContact CG-CG2 4.09Å; Q941-I1004 PolarHBondContact NE2-O 3.08Å; Q941-L1007 PolarHBondContact NE2-O 2.82Å; Q941-F1048 HydrophobicContact CB-CE2 4.47Å |
| 942 | F | 85.2 | Confident | 82.3 | Confident | 53 Ų | 53 | 29.9 Ų | 29.9 | 23% | 0.232 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 173.8 | 173.7 | -96.7 | 0 | 0 | 0 | 113.1 | T419 A423 I508 W938 F940 A945 V946 V1000 | T419-F942 HydrophobicContact CG2-CE1 3.67Å; T419-F942 HydrophobicContact CG2-CZ 4.01Å; A423-F942 HydrophobicContact CB-CE2 3.84Å; A423-F942 HydrophobicContact CB-CZ 3.63Å; I508-F942 HydrophobicContact CD1-CD1 4.5Å; I508-F942 HydrophobicContact CD1-CE1 4.34Å; W938-F942 WeakPolarHBondContact O-CB 3.42Å; W938-F942 PolarHBondContact O-N 3.48Å; F940-F942 VanDerWaalsContact C-N 3.27Å; F940-F942 PolarHBondContact O-N 2.9Å; F942-A945 PolarHBondContact O-N 3.12Å; F942-V946 HydrophobicContact CD2-CG2 4.4Å; F942-V946 HydrophobicContact CE1-CG2 4.36Å; F942-V946 HydrophobicContact CE2-CG2 4.09Å; F942-V946 HydrophobicContact CZ-CG2 4.07Å; F942-V946 WeakPolarHBondContact O-CG2 3.15Å; F942-V946 PolarHBondContact O-N 3.06Å; F942-V1000 HydrophobicContact CD2-CG1 4Å; F942-V1000 HydrophobicContact CE2-CG1 4.09Å |
| 943 | I | 82.2 | Confident | 82.9 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | 175.6 | -71.3 | 165.4 | 0 | 0 | 0 | 110.6 | I508 F509 L939 F940 A945 I947 | I508-I943 HydrophobicContact CD1-CG1 4.41Å; I508-I943 HydrophobicContact CG2-CD1 3.73Å; I508-I943 HydrophobicContact CG2-CG1 4.15Å; F509-I943 HydrophobicContact CE1-CD1 4.46Å; F509-I943 HydrophobicContact CZ-CD1 4.28Å; L939-I943 HydrophobicContact CD2-CD1 3.71Å; L939-I943 HydrophobicContact CG-CD1 4.5Å; L939-I943 VanDerWaalsContact O-CG1 3.28Å; L939-I943 WeakPolarHBondContact O-CG1 3.33Å; L939-I943 PolarHBondContact O-N 2.72Å; L939-I943 VanDerWaalsContact O-N 3.11Å; F940-I943 PolarHBondContact O-N 3.08Å; F940-I943 VanDerWaalsContact O-N 3.08Å; I943-A945 VanDerWaalsContact C-N 3.34Å; I943-A945 PolarHBondContact O-N 3.22Å; I943-I947 HydrophobicContact CG2-CD1 3.89Å; I943-I947 WeakPolarHBondContact O-CD1 3.08Å; I943-I947 VanDerWaalsContact O-CG1 3.23Å; I943-I947 WeakPolarHBondContact O-CG1 3.13Å; I943-I947 PolarHBondContact O-N 2.99Å; I943-I947 VanDerWaalsContact O-N 3.11Å |
| 944 | F | 85.7 | Confident | 83.4 | Confident | 30 Ų | 30 | 27.3 Ų | 27.3 | 13% | 0.132 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 176.3 | -82.9 | -81.6 | 0 | 0 | 0 | 112.1 | F940 Q941 I947 A948 L1007 F1040 F1044 | F940-F944 HydrophobicContact CD1-CE2 4.48Å; F940-F944 WeakPolarHBondContact O-CD2 3.2Å; F940-F944 PolarHBondContact O-N 3.4Å; Q941-F944 PolarHBondContact O-N 2.99Å; F944-I947 WeakPolarHBondContact O-CB 3.27Å; F944-I947 PolarHBondContact O-N 3.33Å; F944-A948 WeakPolarHBondContact O-CB 3.31Å; F944-A948 PolarHBondContact O-N 3Å; F944-L1007 VanDerWaalsContact C-CD1 3.43Å; F944-L1007 HydrophobicContact CB-CD1 3.58Å; F944-F1040 AromaticContact CD1-CE2 3.95Å; F944-F1040 HydrophobicContact CD1-CE2 3.95Å; F944-F1040 HydrophobicContact CD1-CZ 4.22Å; F944-F1044 HydrophobicContact CB-CD2 4.4Å; F944-F1044 HydrophobicContact CB-CE2 4.27Å; F944-F1044 AromaticContact CD1-CD2 3.97Å; F944-F1044 HydrophobicContact CD1-CD2 3.97Å; F944-F1044 HydrophobicContact CD2-CD2 4.23Å; F944-F1044 HydrophobicContact CD2-CE2 4.36Å; F944-F1044 HydrophobicContact CE1-CD2 4.26Å; F944-F1044 AromaticContact CG-CD2 3.96Å; F944-F1044 HydrophobicContact CG-CD2 3.96Å; F944-F1044 HydrophobicContact CG-CE2 4.2Å |
| 945 | A | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q941 F942 I943 I947 A948 V949 V1000 A1003 I1004 L1007 | Q941-A945 WeakPolarHBondContact O-CB 3.48Å; Q941-A945 PolarHBondContact O-N 2.95Å; F942-A945 PolarHBondContact O-N 3.12Å; I943-A945 VanDerWaalsContact C-N 3.34Å; I943-A945 PolarHBondContact O-N 3.22Å; A945-I947 VanDerWaalsContact C-N 3.32Å; A945-I947 PolarHBondContact O-N 2.96Å; A945-A948 WeakPolarHBondContact O-CB 3.48Å; A945-A948 PolarHBondContact O-N 3.15Å; A945-A948 VanDerWaalsContact O-N 3.13Å; A945-V949 WeakPolarHBondContact O-CG2 3.5Å; A945-V949 PolarHBondContact O-N 2.95Å; A945-V1000 HydrophobicContact CB-CG1 4.21Å; A945-A1003 HydrophobicContact CB-CB 3.88Å; A945-I1004 HydrophobicContact CB-CD1 4.49Å; A945-I1004 HydrophobicContact CB-CG1 3.57Å; A945-L1007 HydrophobicContact CB-CD1 3.98Å; A945-L1007 VanDerWaalsContact N-CD1 3.26Å |
| 946 | V | 85 | Confident | 84.4 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 111 | G422 A423 L505 F942 A948 Q950 V1000 | G422-V946 WeakPolarHBondContact O-CG1 3.31Å; A423-V946 HydrophobicContact CB-CG2 4.25Å; L505-V946 HydrophobicContact CD1-CB 3.92Å; L505-V946 HydrophobicContact CD1-CG1 3.71Å; L505-V946 HydrophobicContact CD2-CG1 3.88Å; L505-V946 HydrophobicContact CG-CG1 4.41Å; F942-V946 HydrophobicContact CD2-CG2 4.4Å; F942-V946 HydrophobicContact CE1-CG2 4.36Å; F942-V946 HydrophobicContact CE2-CG2 4.09Å; F942-V946 HydrophobicContact CZ-CG2 4.07Å; F942-V946 WeakPolarHBondContact O-CG2 3.15Å; F942-V946 PolarHBondContact O-N 3.06Å; V946-A948 VanDerWaalsContact C-N 3.33Å; V946-A948 PolarHBondContact O-N 3.29Å; V946-Q950 VanDerWaalsContact O-CG 3.23Å; V946-Q950 WeakPolarHBondContact O-CG 3.41Å; V946-Q950 PolarHBondContact O-N 3.21Å; V946-Q950 VanDerWaalsContact O-N 3.09Å; V946-V1000 HydrophobicContact CG2-CG1 4.03Å; V946-V1000 HydrophobicContact CG2-CG2 3.98Å |
| 947 | I | 84.6 | Confident | 85.1 | Confident | 46 Ų | 46 | 25.6 Ų | 25.6 | 24% | 0.236 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 170.6 | -66.9 | 164.8 | 0 | 0 | 0 | 110.8 | A502 L505 I943 F944 A945 Q950 L951 F1040 | A502-I947 HydrophobicContact CB-CG1 4.28Å; L505-I947 HydrophobicContact CD1-CG1 3.99Å; I943-I947 HydrophobicContact CG2-CD1 3.89Å; I943-I947 WeakPolarHBondContact O-CD1 3.08Å; I943-I947 VanDerWaalsContact O-CG1 3.23Å; I943-I947 WeakPolarHBondContact O-CG1 3.13Å; I943-I947 PolarHBondContact O-N 2.99Å; I943-I947 VanDerWaalsContact O-N 3.11Å; F944-I947 WeakPolarHBondContact O-CB 3.27Å; F944-I947 PolarHBondContact O-N 3.33Å; A945-I947 VanDerWaalsContact C-N 3.32Å; A945-I947 PolarHBondContact O-N 2.96Å; I947-Q950 PolarHBondContact O-N 3.15Å; I947-L951 HydrophobicContact CG2-CD1 3.94Å; I947-L951 WeakPolarHBondContact O-CG 3.17Å; I947-L951 PolarHBondContact O-N 3.33Å; I947-L951 VanDerWaalsContact O-N 3.11Å; I947-F1040 HydrophobicContact CG2-CD2 4.4Å; I947-F1040 HydrophobicContact CG2-CE2 3.89Å |
| 948 | A | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F944 A945 V946 Q950 L951 F952 Y997 F1040 | F944-A948 WeakPolarHBondContact O-CB 3.31Å; F944-A948 PolarHBondContact O-N 3Å; A945-A948 WeakPolarHBondContact O-CB 3.48Å; A945-A948 PolarHBondContact O-N 3.15Å; A945-A948 VanDerWaalsContact O-N 3.13Å; V946-A948 VanDerWaalsContact C-N 3.33Å; V946-A948 PolarHBondContact O-N 3.29Å; A948-Q950 VanDerWaalsContact C-N 3.31Å; A948-Q950 PolarHBondContact O-N 2.82Å; A948-L951 PolarHBondContact O-N 2.91Å; A948-F952 HydrophobicContact CB-CD2 4.29Å; A948-F952 WeakPolarHBondContact O-CB 3.5Å; A948-F952 WeakPolarHBondContact O-CD2 3.37Å; A948-F952 PolarHBondContact O-N 2.76Å; A948-Y997 HydrophobicContact CB-CD1 3.4Å; A948-Y997 VanDerWaalsContact CB-CD1 3.4Å; A948-Y997 HydrophobicContact CB-CE1 3.47Å; A948-Y997 VanDerWaalsContact CB-CE1 3.47Å; A948-Y997 HydrophobicContact CB-CG 4.11Å; A948-F1040 HydrophobicContact CB-CE1 4.33Å; A948-F1040 HydrophobicContact CB-CZ 3.83Å |
| 949 | V | 88.4 | Confident | 86 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 172.4 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | A945 L951 F952 Q953 Y997 V1000 A1003 | A945-V949 WeakPolarHBondContact O-CG2 3.5Å; A945-V949 PolarHBondContact O-N 2.95Å; V949-L951 PolarHBondContact O-N 3.41Å; V949-F952 PolarHBondContact O-N 3.01Å; V949-Q953 HydrophobicContact CG1-CB 4.16Å; V949-Q953 VanDerWaalsContact O-CB 3.25Å; V949-Q953 WeakPolarHBondContact O-CB 3.39Å; V949-Q953 WeakPolarHBondContact O-CG 3.5Å; V949-Q953 PolarHBondContact O-N 3.01Å; V949-Q953 VanDerWaalsContact O-N 3.08Å; V949-Y997 WeakPolarHBondContact CG2-O 3.31Å; V949-V1000 HydrophobicContact CG2-CG2 4.11Å; V949-A1003 HydrophobicContact CG2-CB 3.73Å |
| 950 | Q | 83.2 | Confident | 86.5 | Confident | 22 Ų | 22 | 20.5 Ų | 20.5 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -25.1 | 176.9 | -69.7 | -69.5 | -37.6 | 0 | 0 | 113.9 | E425 V946 I947 A948 | E425-Q950 PolarHBondContact OE1-NE2 2.77Å; E425-Q950 VanDerWaalsContact OE1-NE2 3.12Å; E425-Q950 PolarHBondContact OE2-NE2 3.27Å; V946-Q950 VanDerWaalsContact O-CG 3.23Å; V946-Q950 WeakPolarHBondContact O-CG 3.41Å; V946-Q950 PolarHBondContact O-N 3.21Å; V946-Q950 VanDerWaalsContact O-N 3.09Å; I947-Q950 PolarHBondContact O-N 3.15Å; A948-Q950 VanDerWaalsContact C-N 3.31Å; A948-Q950 PolarHBondContact O-N 2.82Å |
| 951 | L | 82 | Confident | 87 | Confident | 33 Ų | 33 | 19.9 Ų | 19.9 | 17% | 0.173 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -92.4 | -35.3 | 178.8 | -71 | 172.3 | 0 | 0 | 0 | 113.6 | V499 I947 A948 V949 K955 F1040 | V499-L951 HydrophobicContact CG2-CD2 4.26Å; I947-L951 HydrophobicContact CG2-CD1 3.94Å; I947-L951 WeakPolarHBondContact O-CG 3.17Å; I947-L951 PolarHBondContact O-N 3.33Å; I947-L951 VanDerWaalsContact O-N 3.11Å; A948-L951 PolarHBondContact O-N 2.91Å; V949-L951 PolarHBondContact O-N 3.41Å; L951-K955 WeakPolarHBondContact O-CE 3.22Å; L951-K955 PolarHBondContact O-NZ 3.13Å; L951-F1040 HydrophobicContact CD1-CD2 3.97Å; L951-F1040 HydrophobicContact CD1-CE2 4.38Å |
| 952 | F | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -126.3 | -9 | -160.4 | -62.3 | -61.7 | 0 | 0 | 0 | 116 | A948 V949 G954 K955 F956 Y997 M1037 F1040 Y1041 | A948-F952 HydrophobicContact CB-CD2 4.29Å; A948-F952 WeakPolarHBondContact O-CB 3.5Å; A948-F952 WeakPolarHBondContact O-CD2 3.37Å; A948-F952 PolarHBondContact O-N 2.76Å; V949-F952 PolarHBondContact O-N 3.01Å; F952-G954 PolarHBondContact O-N 2.72Å; F952-K955 WeakPolarHBondContact O-CB 3.39Å; F952-K955 PolarHBondContact O-N 3.39Å; F952-K955 VanDerWaalsContact O-N 3.08Å; F952-F956 HydrophobicContact CB-CD2 4.23Å; F952-F956 HydrophobicContact CB-CE2 3.78Å; F952-F956 AromaticContact CD1-CE2 3.88Å; F952-F956 HydrophobicContact CD1-CE2 3.88Å; F952-F956 AromaticContact CG-CE2 3.98Å; F952-F956 HydrophobicContact CG-CE2 3.98Å; F952-Y997 HydrophobicContact CB-CD2 3.59Å; F952-Y997 HydrophobicContact CB-CE2 4.48Å; F952-Y997 HydrophobicContact CB-CG 3.94Å; F952-Y997 AromaticContact CD2-CD2 3.73Å; F952-Y997 HydrophobicContact CD2-CD2 3.73Å; F952-Y997 AromaticContact CD2-CE2 3.84Å; F952-Y997 HydrophobicContact CD2-CE2 3.84Å; F952-Y997 HydrophobicContact CD2-CG 4.23Å; F952-Y997 HydrophobicContact CE2-CE2 4.38Å; F952-Y997 AromaticContact CG-CD2 3.87Å; F952-Y997 HydrophobicContact CG-CD2 3.87Å; F952-Y997 HydrophobicContact CG-CE2 4.3Å; F952-Y997 HydrophobicContact CG-CG 4.49Å; F952-M1037 HydrophobicContact CE1-CB 4.12Å; F952-M1037 HydrophobicContact CE1-CG 3.89Å; F952-M1037 HydrophobicContact CE1-SD 3.77Å; F952-M1037 HydrophobicContact CZ-CB 4.1Å; F952-M1037 HydrophobicContact CZ-CG 4.19Å; F952-M1037 HydrophobicContact CZ-SD 3.8Å; F952-F1040 HydrophobicContact CE2-CD1 4.14Å; F952-F1040 HydrophobicContact CE2-CE1 4.4Å; F952-F1040 HydrophobicContact CE2-CG 4.48Å; F952-Y1041 HydrophobicContact CZ-CE2 4.41Å |
| 953 | Q | 87.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 25.7 Ų | 25.7 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 131.6 | 177.6 | 67 | -172.1 | -42.3 | 0 | 0 | 112.2 | V949 K955 | V949-Q953 HydrophobicContact CG1-CB 4.16Å; V949-Q953 VanDerWaalsContact O-CB 3.25Å; V949-Q953 WeakPolarHBondContact O-CB 3.39Å; V949-Q953 WeakPolarHBondContact O-CG 3.5Å; V949-Q953 PolarHBondContact O-N 3.01Å; V949-Q953 VanDerWaalsContact O-N 3.08Å; Q953-K955 VanDerWaalsContact C-N 3.28Å; Q953-K955 PolarHBondContact O-N 2.93Å |
| 954 | G | 86.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 1.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | H427 F952 D998 A1025 D1026 | H427-G954 WeakPolarHBondContact CD2-CA 3.37Å; F952-G954 PolarHBondContact O-N 2.72Å; G954-D998 PolarHBondContact N-OD1 3.44Å; G954-A1025 CarbonylContact O-C 3.55Å; G954-A1025 WeakPolarHBondContact O-CA 3.3Å; G954-D1026 PolarHBondContact O-N 3.21Å |
| 955 | K | 88.8 | Confident | 87.3 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 13% | 0.13 | 16% | 0.156 | C | C | . | . | trans | -102.4 | 1.4 | -175.3 | -54.9 | -175.7 | -176 | 168.8 | 0 | 114.8 | L951 F952 Q953 | L951-K955 WeakPolarHBondContact O-CE 3.22Å; L951-K955 PolarHBondContact O-NZ 3.13Å; F952-K955 WeakPolarHBondContact O-CB 3.39Å; F952-K955 PolarHBondContact O-N 3.39Å; F952-K955 VanDerWaalsContact O-N 3.08Å; Q953-K955 VanDerWaalsContact C-N 3.28Å; Q953-K955 PolarHBondContact O-N 2.93Å | ||
| 956 | F | 90.2 | Very high | 87.4 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | trans | -104.2 | 17.7 | -173.4 | -85.9 | -119.1 | 0 | 0 | 0 | 112.5 | F952 T992 R993 F995 N996 Y997 V1015 N1018 | F952-F956 HydrophobicContact CB-CD2 4.23Å; F952-F956 HydrophobicContact CB-CE2 3.78Å; F952-F956 AromaticContact CD1-CE2 3.88Å; F952-F956 HydrophobicContact CD1-CE2 3.88Å; F952-F956 AromaticContact CG-CE2 3.98Å; F952-F956 HydrophobicContact CG-CE2 3.98Å; F956-T992 CarbonylContact O-C 3.57Å; F956-R993 HydrophobicContact CD1-CB 4.22Å; F956-R993 HydrophobicContact CD1-CG 4.42Å; F956-R993 PolarHBondContact O-N 2.64Å; F956-F995 VanDerWaalsContact CD1-O 3.32Å; F956-F995 WeakPolarHBondContact CD1-O 3.48Å; F956-N996 HydrophobicContact CB-CB 3.89Å; F956-N996 HydrophobicContact CD1-CB 4.26Å; F956-N996 HydrophobicContact CG-CB 4.31Å; F956-Y997 HydrophobicContact CD2-CD2 4.46Å; F956-Y997 HydrophobicContact CE1-CD2 4.05Å; F956-Y997 HydrophobicContact CE1-CE2 4.17Å; F956-Y997 AromaticContact CE2-CD2 3.87Å; F956-Y997 HydrophobicContact CE2-CD2 3.87Å; F956-Y997 HydrophobicContact CE2-CE2 4.37Å; F956-Y997 AromaticContact CZ-CD2 3.63Å; F956-Y997 HydrophobicContact CZ-CD2 3.63Å; F956-Y997 AromaticContact CZ-CE2 3.74Å; F956-Y997 HydrophobicContact CZ-CE2 3.74Å; F956-V1015 HydrophobicContact CE1-CG1 3.68Å; F956-V1015 HydrophobicContact CZ-CG1 4.33Å; F956-N1018 HydrophobicContact CE1-CB 4.15Å | ||
| 957 | F | 90.8 | Very high | 87.5 | Confident | 33 Ų | 33 | 39.8 Ų | 39.8 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 150.6 | 169.9 | -68.1 | -84.8 | 0 | 0 | 0 | 111.5 | H427 W990 R991 T992 P1029 | H427-F957 AromaticContact CE1-CE2 3.6Å; H427-F957 AromaticContact CE1-CZ 3.85Å; H427-F957 AromaticContact ND1-CE2 3.97Å; F957-W990 HydrophobicContact CB-CH2 4.29Å; F957-W990 HydrophobicContact CB-CZ2 3.45Å; F957-W990 VanDerWaalsContact CB-CZ2 3.45Å; F957-W990 AromaticContact CD1-CD1 3.72Å; F957-W990 AromaticContact CD1-NE1 3.23Å; F957-W990 AromaticContact CE1-NE1 3.98Å; F957-W990 HydrophobicContact CG-CZ2 4.18Å; F957-W990 AromaticContact CG-NE1 3.53Å; F957-R991 CarbonylContact C-O 3.48Å; F957-R991 VanDerWaalsContact CA-O 3.3Å; F957-R991 WeakPolarHBondContact CA-O 2.89Å; F957-T992 HydrophobicContact CD1-CG2 3.68Å; F957-T992 HydrophobicContact CE1-CG2 3.34Å; F957-T992 HydrophobicContact CG-CG2 4.42Å; F957-T992 HydrophobicContact CZ-CG2 3.81Å; F957-P1029 WeakPolarHBondContact O-CD 3.37Å |
| 958 | Y | 90.5 | Very high | 87.8 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156.2 | 172.6 | 72.4 | -71.7 | 0 | 0 | 0 | 110.8 | R991 R993 | Y958-R991 HydrophobicContact CD1-CB 4.33Å; Y958-R991 VanDerWaalsContact CD1-O 3.26Å; Y958-R991 WeakPolarHBondContact CD1-O 2.95Å; Y958-R991 HydrophobicContact CE1-CB 3.73Å; Y958-R991 PolarHBondContact N-O 2.86Å; Y958-R991 PolarHBondContact O-N 3.08Å; Y958-R993 HydrophobicContact CD1-CG 4.25Å |
| 959 | C | 92 | Very high | 87.9 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 148.7 | 162.6 | -164.1 | 0 | 0 | 0 | 0 | 108.9 | D961 K964 C970 W990 | C959-D961 VanDerWaalsContact C-N 3.28Å; C959-D961 WeakPolarHBondContact CB-O 3.43Å; C959-K964 HydrophobicContact CB-CB 4.12Å; C959-K964 WeakPolarHBondContact CB-O 3.3Å; C959-C970 VanDerWaalsContact CA-SG 3.53Å; C959-C970 HydrophobicContact CB-CB 3.77Å; C959-C970 WeakPolarHBondContact CB-SG 3.05Å; C959-C970 WeakPolarHBondContact SG-CB 3.39Å; C959-C970 CovalentContact SG-SG 2.03Å; C959-C970 PolarHBondContact SG-SG 3.48Å; C959-W990 HydrophobicContact CB-CE3 3.97Å; C959-W990 HydrophobicContact CB-CZ3 4.17Å |
| 960 | N | 89.4 | Confident | 88 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -73.2 | -19.2 | 168.2 | 58.9 | -26 | 0 | 0 | 0 | 113.2 | F974 N987 R988 T989 | N960-F974 HydrophobicContact CB-CE1 4.38Å; N960-F974 HydrophobicContact CB-CZ 4.32Å; N960-F974 WeakPolarHBondContact ND2-CE1 3.41Å; N960-F974 WeakPolarHBondContact O-CZ 3.28Å; N960-N987 PolarHBondContact ND2-O 3.02Å; N960-R988 VanDerWaalsContact OD1-CA 3.31Å; N960-R988 WeakPolarHBondContact OD1-CA 3.48Å; N960-T989 PolarHBondContact OD1-N 2.9Å; N960-T989 PolarHBondContact OD1-O 3.47Å |
| 961 | D | 89.1 | Confident | 88.3 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.4 | 104 | 159.9 | 179.7 | -13.5 | 0 | 0 | 0 | 108.7 | C959 S963 K964 F974 R988 | C959-D961 VanDerWaalsContact C-N 3.28Å; C959-D961 WeakPolarHBondContact CB-O 3.43Å; D961-S963 VanDerWaalsContact CG-OG 3.26Å; D961-S963 PolarHBondContact O-N 3.08Å; D961-S963 VanDerWaalsContact OD1-CB 3.27Å; D961-S963 WeakPolarHBondContact OD1-CB 3.43Å; D961-S963 PolarHBondContact OD1-N 3.25Å; D961-S963 PolarHBondContact OD1-OG 3.36Å; D961-S963 PolarHBondContact OD2-OG 2.82Å; D961-K964 HydrophobicContact CB-CG 4Å; D961-K964 PolarHBondContact O-N 3.21Å; D961-K964 WeakPolarHBondContact OD2-CG 3.45Å; D961-F974 HydrophobicContact CB-CB 4.04Å; D961-F974 HydrophobicContact CB-CD1 4.08Å; D961-F974 HydrophobicContact CB-CD2 3.97Å; D961-F974 HydrophobicContact CB-CE2 4.42Å; D961-F974 HydrophobicContact CB-CG 3.78Å; D961-R988 HydrophobicContact CB-CG 4.05Å; D961-R988 IonicContact OD2-CZ 2.91Å; D961-R988 IonicContact OD2-NE 2.9Å; D961-R988 PolarHBondContact OD2-NE 3.18Å; D961-R988 IonicContact OD2-NH2 3.16Å; D961-R988 PolarHBondContact OD2-NH2 2.97Å |
| 962 | V | 81.4 | Confident | 88.7 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.2 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | K964 D2141 | V962-K964 PolarHBondContact O-N 3.46Å; V962-D2141 HydrophobicContact CG2-CB 4.27Å |
| 963 | S | 85.8 | Confident | 88.8 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -1.3 | 176 | 77.6 | 0 | 0 | 0 | 0 | 114.5 | D961 | D961-S963 VanDerWaalsContact CG-OG 3.26Å; D961-S963 PolarHBondContact O-N 3.08Å; D961-S963 VanDerWaalsContact OD1-CB 3.27Å; D961-S963 WeakPolarHBondContact OD1-CB 3.43Å; D961-S963 PolarHBondContact OD1-N 3.25Å; D961-S963 PolarHBondContact OD1-OG 3.36Å; D961-S963 PolarHBondContact OD2-OG 2.82Å |
| 964 | K | 89.3 | Confident | 89 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | trans | -117.9 | 105.9 | -173.1 | -56.7 | -68 | 169.1 | -95.2 | 0 | 111.5 | C959 D961 V962 D969 C970 | C959-K964 HydrophobicContact CB-CB 4.12Å; C959-K964 WeakPolarHBondContact CB-O 3.3Å; D961-K964 HydrophobicContact CB-CG 4Å; D961-K964 PolarHBondContact O-N 3.21Å; D961-K964 WeakPolarHBondContact OD2-CG 3.45Å; V962-K964 PolarHBondContact O-N 3.46Å; K964-D969 HydrophobicContact CB-CB 4.06Å; K964-D969 HydrophobicContact CD-CB 3.87Å; K964-D969 WeakPolarHBondContact CD-O 3.29Å; K964-D969 HydrophobicContact CG-CB 4.49Å; K964-C970 HydrophobicContact CB-CB 4.45Å | ||
| 965 | M | 86.4 | Confident | 89.1 | Confident | 76 Ų | 76 | 62 Ų | 62 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -89.1 | -6.9 | -170.9 | -77.1 | -73.2 | -175 | 0 | 0 | 115.2 | R1027 G1028 P1029 | M965-R1027 CarbonylContact O-C 3.1Å; M965-R1027 VanDerWaalsContact O-CA 3.3Å; M965-R1027 WeakPolarHBondContact O-CA 3.32Å; M965-G1028 PolarHBondContact O-N 3.03Å; M965-P1029 VanDerWaalsContact CE-O 3.31Å; M965-P1029 WeakPolarHBondContact CE-O 3.46Å | ||
| 966 | T | 89.9 | Confident | 88.6 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 23% | 0.233 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 160.9 | 178.6 | 79.1 | 0 | 0 | 0 | 0 | 112.1 | D968 D969 C970 W990 | T966-D968 PolarHBondContact O-N 3.13Å; T966-D968 PolarHBondContact OG1-N 3.32Å; T966-D969 WeakPolarHBondContact CB-OD2 3.47Å; T966-D969 WeakPolarHBondContact CG2-OD2 3.36Å; T966-D969 PolarHBondContact O-N 3.08Å; T966-D969 PolarHBondContact OG1-N 2.74Å; T966-D969 VanDerWaalsContact OG1-N 3.14Å; T966-D969 PolarHBondContact OG1-OD2 3.15Å; T966-C970 VanDerWaalsContact O-CB 3.29Å; T966-C970 WeakPolarHBondContact O-CB 3.5Å; T966-C970 PolarHBondContact O-N 2.96Å; T966-W990 VanDerWaalsContact C-CZ3 3.41Å |
| 967 | R | 88.3 | Confident | 88 | Confident | 174 Ų | 174 | 65.4 Ų | 65.4 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.7 | 174 | -176.7 | 176.1 | 176.9 | 169.7 | 0.6 | 112.9 | W990 | R967-W990 HydrophobicContact CB-CD2 3.94Å; R967-W990 HydrophobicContact CB-CG 3.96Å; R967-W990 HydrophobicContact CB-CZ2 4.41Å; R967-W990 HydrophobicContact CG-CB 4.25Å; R967-W990 HydrophobicContact CG-CD2 4.43Å; R967-W990 HydrophobicContact CG-CG 3.92Å |
| 968 | D | 89.8 | Confident | 86.9 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -36.5 | -179.1 | -60 | -33.3 | 0 | 0 | 0 | 111.1 | T966 Q971 | T966-D968 PolarHBondContact O-N 3.13Å; T966-D968 PolarHBondContact OG1-N 3.32Å; D968-Q971 WeakPolarHBondContact O-CG 3.38Å; D968-Q971 PolarHBondContact O-NE2 3.09Å |
| 969 | D | 90.2 | Very high | 85.3 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -29.6 | 172.7 | -62.1 | -55.3 | 0 | 0 | 0 | 112.7 | K964 T966 Q971 | K964-D969 HydrophobicContact CB-CB 4.06Å; K964-D969 HydrophobicContact CD-CB 3.87Å; K964-D969 WeakPolarHBondContact CD-O 3.29Å; K964-D969 HydrophobicContact CG-CB 4.49Å; T966-D969 WeakPolarHBondContact CB-OD2 3.47Å; T966-D969 WeakPolarHBondContact CG2-OD2 3.36Å; T966-D969 PolarHBondContact O-N 3.08Å; T966-D969 PolarHBondContact OG1-N 2.74Å; T966-D969 VanDerWaalsContact OG1-N 3.14Å; T966-D969 PolarHBondContact OG1-OD2 3.15Å; D969-Q971 PolarHBondContact O-N 3.16Å |
| 970 | C | 91 | Very high | 83.5 | Confident | 6 Ų | 6 | 72.4 Ų | 72.4 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -80.2 | 52.9 | -174.4 | -169.4 | 0 | 0 | 0 | 0 | 113.3 | C959 K964 T966 W990 | C959-C970 VanDerWaalsContact CA-SG 3.53Å; C959-C970 HydrophobicContact CB-CB 3.77Å; C959-C970 WeakPolarHBondContact CB-SG 3.05Å; C959-C970 WeakPolarHBondContact SG-CB 3.39Å; C959-C970 CovalentContact SG-SG 2.03Å; C959-C970 PolarHBondContact SG-SG 3.48Å; K964-C970 HydrophobicContact CB-CB 4.45Å; T966-C970 VanDerWaalsContact O-CB 3.29Å; T966-C970 WeakPolarHBondContact O-CB 3.5Å; T966-C970 PolarHBondContact O-N 2.96Å; C970-W990 HydrophobicContact CB-CB 4.26Å; C970-W990 HydrophobicContact CB-CD2 4.5Å; C970-W990 HydrophobicContact CB-CE3 3.71Å; C970-W990 HydrophobicContact CB-CZ3 4.45Å; C970-W990 PolarHBondContact SG-N 2.88Å |
| 971 | Q | 88.4 | Confident | 82.5 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | trans | -128.3 | 160.5 | -176.6 | -59.9 | -173.4 | 19.8 | 0 | 0 | 113.1 | D968 D969 R988 | D968-Q971 WeakPolarHBondContact O-CG 3.38Å; D968-Q971 PolarHBondContact O-NE2 3.09Å; D969-Q971 PolarHBondContact O-N 3.16Å; Q971-R988 WeakPolarHBondContact O-CD 3.34Å; Q971-R988 PolarHBondContact O-NH1 3.45Å | ||
| 972 | G | 90.4 | Very high | 81.7 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 57% | 0.567 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 73.9 | -138.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | R988 | G972-R988 PolarHBondContact O-N 2.92Š|
| 973 | Q | 90 | Very high | 81.7 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.3 | -175 | -78.9 | 165.6 | -23.1 | 0 | 0 | 112.2 | L985 Q986 N987 R988 | Q973-L985 HydrophobicContact CB-CD1 4.48Å; Q973-L985 HydrophobicContact CB-CD2 4.41Å; Q973-L985 HydrophobicContact CB-CG 4.2Å; Q973-L985 HydrophobicContact CG-CD2 4.39Å; Q973-L985 HydrophobicContact CG-CG 4.43Å; Q973-Q986 CarbonylContact C-O 3.55Å; Q973-Q986 VanDerWaalsContact CA-O 3.3Å; Q973-Q986 WeakPolarHBondContact CA-O 3.32Å; Q973-N987 WeakPolarHBondContact CG-OD1 3.48Å; Q973-N987 PolarHBondContact NE2-OD1 2.81Å; Q973-R988 VanDerWaalsContact O-CZ 3.25Å; Q973-R988 PolarHBondContact O-NH1 3.49Å; Q973-R988 PolarHBondContact O-NH2 2.97Å |
| 974 | F | 90.5 | Very high | 81.4 | Confident | 18 Ų | 18 | 75.9 Ų | 75.9 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 162.8 | 171.3 | 78.5 | -72.2 | 0 | 0 | 0 | 110.5 | N960 D961 D976 Q986 R988 | N960-F974 HydrophobicContact CB-CE1 4.38Å; N960-F974 HydrophobicContact CB-CZ 4.32Å; N960-F974 WeakPolarHBondContact ND2-CE1 3.41Å; N960-F974 WeakPolarHBondContact O-CZ 3.28Å; D961-F974 HydrophobicContact CB-CB 4.04Å; D961-F974 HydrophobicContact CB-CD1 4.08Å; D961-F974 HydrophobicContact CB-CD2 3.97Å; D961-F974 HydrophobicContact CB-CE2 4.42Å; D961-F974 HydrophobicContact CB-CG 3.78Å; F974-D976 HydrophobicContact CE2-CB 3.97Å; F974-D976 HydrophobicContact CZ-CB 4.36Å; F974-Q986 HydrophobicContact CD1-CB 3.85Å; F974-Q986 WeakPolarHBondContact CD1-O 3.15Å; F974-Q986 HydrophobicContact CE1-CB 3.32Å; F974-Q986 HydrophobicContact CE1-CG 4.37Å; F974-Q986 HydrophobicContact CZ-CB 3.78Å; F974-Q986 HydrophobicContact CZ-CG 4.4Å; F974-Q986 PolarHBondContact N-O 3.42Å; F974-Q986 PolarHBondContact O-N 3.17Å; F974-R988 HydrophobicContact CB-CG 4.3Å; F974-R988 HydrophobicContact CD1-CG 3.94Å |
| 975 | I | 88.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 78.4 Ų | 78.4 | 46% | 0.456 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117 | 171 | -65.3 | 172.1 | 0 | 0 | 0 | 106.3 | Y977 P983 L985 | I975-Y977 HydrophobicContact CG2-CD2 4.15Å; I975-Y977 HydrophobicContact CG2-CE1 4.22Å; I975-Y977 HydrophobicContact CG2-CE2 3.83Å; I975-Y977 HydrophobicContact CG2-CG 4.48Å; I975-P983 HydrophobicContact CG2-CB 3.38Å; I975-L985 HydrophobicContact CG1-CD1 4.24Å |
| 976 | D | 79.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 156.9 | 159.8 | -167.4 | 10.4 | 0 | 0 | 0 | 108.2 | F974 P983 F984 Q986 | F974-D976 HydrophobicContact CE2-CB 3.97Å; F974-D976 HydrophobicContact CZ-CB 4.36Å; D976-P983 CarbonylContact O-C 3.51Å; D976-P983 WeakPolarHBondContact O-CA 2.9Å; D976-F984 HydrophobicContact CB-CD1 4.14Å; D976-F984 HydrophobicContact CB-CE1 3.7Å; D976-F984 HydrophobicContact CB-CE2 4.2Å; D976-F984 HydrophobicContact CB-CZ 3.74Å; D976-F984 PolarHBondContact N-O 2.89Å; D976-F984 WeakPolarHBondContact O-CD1 3.11Å; D976-F984 PolarHBondContact O-N 3.35Å; D976-F984 VanDerWaalsContact O-O 3.08Å; D976-F984 WeakPolarHBondContact OD2-CZ 3.36Å; D976-Q986 HydrophobicContact CB-CG 4.05Å; D976-Q986 PolarHBondContact OD2-NE2 3.49Å |
| 977 | Y | 77.4 | Confident | 81.2 | Confident | 91 Ų | 91 | 80.1 Ų | 80.1 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126 | -179.3 | -67.9 | -94.4 | 0 | 0 | 0 | 109 | I975 P983 Y2142 | I975-Y977 HydrophobicContact CG2-CD2 4.15Å; I975-Y977 HydrophobicContact CG2-CE1 4.22Å; I975-Y977 HydrophobicContact CG2-CE2 3.83Å; I975-Y977 HydrophobicContact CG2-CG 4.48Å; Y977-P983 HydrophobicContact CD1-CB 4.16Å; Y977-P983 HydrophobicContact CE1-CB 4.06Å; Y977-Y2142 VanDerWaalsContact CB-CZ 3.42Å; Y977-Y2142 HydrophobicContact CD1-CD1 4.46Å; Y977-Y2142 HydrophobicContact CD1-CE1 4.23Å; Y977-Y2142 AromaticContact CD2-CD1 3.7Å; Y977-Y2142 HydrophobicContact CD2-CD1 3.7Å; Y977-Y2142 HydrophobicContact CD2-CE1 4.23Å; Y977-Y2142 AromaticContact CD2-CG 3.93Å; Y977-Y2142 HydrophobicContact CD2-CG 3.93Å; Y977-Y2142 HydrophobicContact CE2-CD1 4.38Å; Y977-Y2142 AromaticContact CG-CD1 3.73Å; Y977-Y2142 HydrophobicContact CG-CD1 3.73Å; Y977-Y2142 AromaticContact CG-CE1 3.77Å; Y977-Y2142 HydrophobicContact CG-CE1 3.77Å; Y977-Y2142 HydrophobicContact CG-CG 4.16Å |
| 978 | N | 66.6 | Low | 81.4 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -70 | 169.7 | 174.9 | 76.6 | 7.8 | 0 | 0 | 0 | 110.6 | R980 G981 D982 F984 Y2142 | N978-R980 PolarHBondContact O-N 2.92Å; N978-R980 WeakPolarHBondContact OD1-CA 3.43Å; N978-R980 VanDerWaalsContact OD1-CB 3.25Å; N978-R980 WeakPolarHBondContact OD1-CB 3.44Å; N978-R980 PolarHBondContact OD1-N 3.29Å; N978-G981 PolarHBondContact O-N 3.24Å; N978-G981 PolarHBondContact OD1-N 2.61Å; N978-D982 PolarHBondContact N-O 2.65Å; N978-D982 WeakPolarHBondContact ND2-CB 3.45Å; N978-D982 PolarHBondContact ND2-OD2 3.2Å; N978-D982 WeakPolarHBondContact OD1-CB 3.47Å; N978-D982 PolarHBondContact OD1-N 3.29Å; N978-D982 PolarHBondContact OD1-OD2 3.48Å; N978-F984 HydrophobicContact CB-CD1 4.24Å; N978-F984 HydrophobicContact CB-CE1 4.19Å; N978-Y2142 PolarHBondContact O-OH 2.98Å | ||
| 979 | D | 57.2 | Low | 81.4 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -13.2 | -178.9 | -30.8 | -45.5 | 0 | 0 | 0 | 114.5 | I165 S166 T2140 | I165-D979 HydrophobicContact CB-CB 4.17Å; I165-D979 HydrophobicContact CD1-CB 3.93Å; I165-D979 WeakPolarHBondContact CD1-O 3.37Å; I165-D979 HydrophobicContact CG2-CB 3.79Å; S166-D979 WeakPolarHBondContact CB-OD2 3.27Å; S166-D979 PolarHBondContact OG-OD2 3.23Å; D979-T2140 PolarHBondContact OD1-OG1 3.01Å |
| 980 | R | 54.1 | Low | 81.4 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9 | 177.9 | -45.9 | 177.1 | 179.1 | -157.3 | -5.8 | 112.7 | N978 | N978-R980 PolarHBondContact O-N 2.92Å; N978-R980 WeakPolarHBondContact OD1-CA 3.43Å; N978-R980 VanDerWaalsContact OD1-CB 3.25Å; N978-R980 WeakPolarHBondContact OD1-CB 3.44Å; N978-R980 PolarHBondContact OD1-N 3.29Å |
| 981 | G | 68.6 | Low | 81.4 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 84.1 | 8.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N978 | N978-G981 PolarHBondContact O-N 3.24Å; N978-G981 PolarHBondContact OD1-N 2.61Å |
| 982 | D | 72.8 | Confident | 81.4 | Confident | 83 Ų | 83 | 71.6 Ų | 71.6 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | trans | -75.4 | 126.3 | 174.3 | -49.3 | -58.4 | 0 | 0 | 0 | 109.8 | N978 | N978-D982 PolarHBondContact N-O 2.65Å; N978-D982 WeakPolarHBondContact ND2-CB 3.45Å; N978-D982 PolarHBondContact ND2-OD2 3.2Å; N978-D982 WeakPolarHBondContact OD1-CB 3.47Å; N978-D982 PolarHBondContact OD1-N 3.29Å; N978-D982 PolarHBondContact OD1-OD2 3.48Å | ||
| 983 | P | 81.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.5 | 176.2 | 29.6 | -33.7 | 0 | 0 | 0 | 111.2 | I975 D976 Y977 | I975-P983 HydrophobicContact CG2-CB 3.38Å; D976-P983 CarbonylContact O-C 3.51Å; D976-P983 WeakPolarHBondContact O-CA 2.9Å; Y977-P983 HydrophobicContact CD1-CB 4.16Å; Y977-P983 HydrophobicContact CE1-CB 4.06Å |
| 984 | F | 79.7 | Confident | 81.1 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.1 | 171.6 | 73.1 | -76.3 | 0 | 0 | 0 | 111.6 | D976 N978 Q986 | D976-F984 HydrophobicContact CB-CD1 4.14Å; D976-F984 HydrophobicContact CB-CE1 3.7Å; D976-F984 HydrophobicContact CB-CE2 4.2Å; D976-F984 HydrophobicContact CB-CZ 3.74Å; D976-F984 PolarHBondContact N-O 2.89Å; D976-F984 WeakPolarHBondContact O-CD1 3.11Å; D976-F984 PolarHBondContact O-N 3.35Å; D976-F984 VanDerWaalsContact O-O 3.08Å; D976-F984 WeakPolarHBondContact OD2-CZ 3.36Å; N978-F984 HydrophobicContact CB-CD1 4.24Å; N978-F984 HydrophobicContact CB-CE1 4.19Å; F984-Q986 HydrophobicContact CD2-CG 4.25Å; F984-Q986 HydrophobicContact CE2-CG 3.88Å |
| 985 | L | 86.3 | Confident | 81 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.1 | -167.4 | -151.4 | 73.5 | 0 | 0 | 0 | 111 | Q973 I975 | Q973-L985 HydrophobicContact CB-CD1 4.48Å; Q973-L985 HydrophobicContact CB-CD2 4.41Å; Q973-L985 HydrophobicContact CB-CG 4.2Å; Q973-L985 HydrophobicContact CG-CD2 4.39Å; Q973-L985 HydrophobicContact CG-CG 4.43Å; I975-L985 HydrophobicContact CG1-CD1 4.24Å |
| 986 | Q | 83.8 | Confident | 81.1 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.4 | 174 | -74.7 | -157.2 | 37.8 | 0 | 0 | 111.6 | Q973 F974 D976 F984 | Q973-Q986 CarbonylContact C-O 3.55Å; Q973-Q986 VanDerWaalsContact CA-O 3.3Å; Q973-Q986 WeakPolarHBondContact CA-O 3.32Å; F974-Q986 HydrophobicContact CD1-CB 3.85Å; F974-Q986 WeakPolarHBondContact CD1-O 3.15Å; F974-Q986 HydrophobicContact CE1-CB 3.32Å; F974-Q986 HydrophobicContact CE1-CG 4.37Å; F974-Q986 HydrophobicContact CZ-CB 3.78Å; F974-Q986 HydrophobicContact CZ-CG 4.4Å; F974-Q986 PolarHBondContact N-O 3.42Å; F974-Q986 PolarHBondContact O-N 3.17Å; D976-Q986 HydrophobicContact CB-CG 4.05Å; D976-Q986 PolarHBondContact OD2-NE2 3.49Å; F984-Q986 HydrophobicContact CD2-CG 4.25Å; F984-Q986 HydrophobicContact CE2-CG 3.88Å |
| 987 | N | 90.8 | Very high | 81.7 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134.4 | 171 | -66.7 | -12.8 | 0 | 0 | 0 | 109.7 | N960 Q973 | N960-N987 PolarHBondContact ND2-O 3.02Å; Q973-N987 WeakPolarHBondContact CG-OD1 3.48Å; Q973-N987 PolarHBondContact NE2-OD1 2.81Å |
| 988 | R | 91.1 | Very high | 82.3 | Confident | 52 Ų | 52 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | trans | -68 | 133.6 | 170.3 | -67.1 | -162.2 | -175.2 | 75.9 | 14.3 | 109.8 | N960 D961 Q971 G972 Q973 F974 | N960-R988 VanDerWaalsContact OD1-CA 3.31Å; N960-R988 WeakPolarHBondContact OD1-CA 3.48Å; D961-R988 HydrophobicContact CB-CG 4.05Å; D961-R988 IonicContact OD2-CZ 2.91Å; D961-R988 IonicContact OD2-NE 2.9Å; D961-R988 PolarHBondContact OD2-NE 3.18Å; D961-R988 IonicContact OD2-NH2 3.16Å; D961-R988 PolarHBondContact OD2-NH2 2.97Å; Q971-R988 WeakPolarHBondContact O-CD 3.34Å; Q971-R988 PolarHBondContact O-NH1 3.45Å; G972-R988 PolarHBondContact O-N 2.92Å; Q973-R988 VanDerWaalsContact O-CZ 3.25Å; Q973-R988 PolarHBondContact O-NH1 3.49Å; Q973-R988 PolarHBondContact O-NH2 2.97Å; F974-R988 HydrophobicContact CB-CG 4.3Å; F974-R988 HydrophobicContact CD1-CG 3.94Å | ||
| 989 | T | 90.4 | Very high | 83.4 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | trans | -139.8 | 124.6 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 110 | N960 R991 | N960-T989 PolarHBondContact OD1-N 2.9Å; N960-T989 PolarHBondContact OD1-O 3.47Å; T989-R991 PolarHBondContact OG1-NE 3.41Å; T989-R991 PolarHBondContact OG1-NH2 3.3Å | ||
| 990 | W | 91.3 | Very high | 85 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118.5 | 174.2 | -172.8 | -102.8 | 0 | 0 | 0 | 109.3 | F957 C959 T966 R967 C970 | F957-W990 HydrophobicContact CB-CH2 4.29Å; F957-W990 HydrophobicContact CB-CZ2 3.45Å; F957-W990 VanDerWaalsContact CB-CZ2 3.45Å; F957-W990 AromaticContact CD1-CD1 3.72Å; F957-W990 AromaticContact CD1-NE1 3.23Å; F957-W990 AromaticContact CE1-NE1 3.98Å; F957-W990 HydrophobicContact CG-CZ2 4.18Å; F957-W990 AromaticContact CG-NE1 3.53Å; C959-W990 HydrophobicContact CB-CE3 3.97Å; C959-W990 HydrophobicContact CB-CZ3 4.17Å; T966-W990 VanDerWaalsContact C-CZ3 3.41Å; R967-W990 HydrophobicContact CB-CD2 3.94Å; R967-W990 HydrophobicContact CB-CG 3.96Å; R967-W990 HydrophobicContact CB-CZ2 4.41Å; R967-W990 HydrophobicContact CG-CB 4.25Å; R967-W990 HydrophobicContact CG-CD2 4.43Å; R967-W990 HydrophobicContact CG-CG 3.92Å; C970-W990 HydrophobicContact CB-CB 4.26Å; C970-W990 HydrophobicContact CB-CD2 4.5Å; C970-W990 HydrophobicContact CB-CE3 3.71Å; C970-W990 HydrophobicContact CB-CZ3 4.45Å; C970-W990 PolarHBondContact SG-N 2.88Å |
| 991 | R | 89.7 | Confident | 86.7 | Confident | 138 Ų | 138 | 62.2 Ų | 62.2 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.2 | -173.4 | -59.1 | -172.6 | -170.3 | -146.9 | -0.4 | 111.4 | F957 Y958 T989 | F957-R991 CarbonylContact C-O 3.48Å; F957-R991 VanDerWaalsContact CA-O 3.3Å; F957-R991 WeakPolarHBondContact CA-O 2.89Å; Y958-R991 HydrophobicContact CD1-CB 4.33Å; Y958-R991 VanDerWaalsContact CD1-O 3.26Å; Y958-R991 WeakPolarHBondContact CD1-O 2.95Å; Y958-R991 HydrophobicContact CE1-CB 3.73Å; Y958-R991 PolarHBondContact N-O 2.86Å; Y958-R991 PolarHBondContact O-N 3.08Å; T989-R991 PolarHBondContact OG1-NE 3.41Å; T989-R991 PolarHBondContact OG1-NH2 3.3Å |
| 992 | T | 88.5 | Confident | 87.6 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 149.7 | 160.5 | 47 | 0 | 0 | 0 | 0 | 109.9 | F956 F957 | F956-T992 CarbonylContact O-C 3.57Å; F957-T992 HydrophobicContact CD1-CG2 3.68Å; F957-T992 HydrophobicContact CE1-CG2 3.34Å; F957-T992 HydrophobicContact CG-CG2 4.42Å; F957-T992 HydrophobicContact CZ-CG2 3.81Å |
| 993 | R | 88.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 22% | 0.219 | 30% | 0.299 | C | S | . | . | trans | -63.1 | 141.7 | 157.7 | -62.1 | -66.6 | -173.9 | 173.6 | -0.2 | 109.4 | F956 Y958 F995 N996 | F956-R993 HydrophobicContact CD1-CB 4.22Å; F956-R993 HydrophobicContact CD1-CG 4.42Å; F956-R993 PolarHBondContact O-N 2.64Å; Y958-R993 HydrophobicContact CD1-CG 4.25Å; R993-F995 VanDerWaalsContact C-N 3.27Å; R993-F995 PolarHBondContact O-N 3.21Å; R993-N996 PolarHBondContact O-ND2 2.7Å | ||
| 994 | D | 86 | Confident | 88.8 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -61.6 | -36.7 | -176.7 | -52 | -86.8 | 0 | 0 | 0 | 112.4 | L1322 | D994-L1322 HydrophobicContact CB-CD1 3.74Å; D994-L1322 HydrophobicContact CB-CD2 4.16Å |
| 995 | F | 88.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -96.2 | 111 | 166 | -61.4 | -58.4 | 0 | 0 | 0 | 110.2 | F956 R993 T1006 T1009 V1015 Q1318 M1321 L1322 | F956-F995 VanDerWaalsContact CD1-O 3.32Å; F956-F995 WeakPolarHBondContact CD1-O 3.48Å; R993-F995 VanDerWaalsContact C-N 3.27Å; R993-F995 PolarHBondContact O-N 3.21Å; F995-T1006 HydrophobicContact CB-CG2 4.02Å; F995-T1009 HydrophobicContact CD1-CG2 4.34Å; F995-T1009 WeakPolarHBondContact CD1-OG1 3.38Å; F995-T1009 HydrophobicContact CE1-CG2 3.63Å; F995-T1009 HydrophobicContact CZ-CG2 3.74Å; F995-V1015 HydrophobicContact CB-CG2 3.73Å; F995-V1015 HydrophobicContact CD2-CG2 4.12Å; F995-V1015 HydrophobicContact CG-CG2 4.2Å; F995-Q1318 HydrophobicContact CE2-CG 4.44Å; F995-Q1318 HydrophobicContact CZ-CB 4.23Å; F995-Q1318 WeakPolarHBondContact CZ-O 3.23Å; F995-M1321 HydrophobicContact CE1-CE 4.02Å; F995-M1321 HydrophobicContact CZ-CE 4.03Å; F995-L1322 HydrophobicContact CE2-CD1 4.02Å; F995-L1322 HydrophobicContact CZ-CD1 4.12Å; F995-L1322 HydrophobicContact CZ-CD2 4.49Å; F995-L1322 HydrophobicContact CZ-CG 4.39Å |
| 996 | N | 90.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -138.7 | 177 | -177.9 | 62.3 | 65.7 | 0 | 0 | 0 | 112 | F956 R993 D998 H1002 T1006 | F956-N996 HydrophobicContact CB-CB 3.89Å; F956-N996 HydrophobicContact CD1-CB 4.26Å; F956-N996 HydrophobicContact CG-CB 4.31Å; R993-N996 PolarHBondContact O-ND2 2.7Å; N996-D998 PolarHBondContact OD1-N 3.07Å; N996-D998 PolarHBondContact OD1-OD2 3.13Å; N996-H1002 CarbonylContact O-C 3.47Å; N996-T1006 PolarHBondContact N-OG1 3.34Å; N996-T1006 VanDerWaalsContact N-OG1 3.16Å; N996-T1006 PolarHBondContact O-OG1 3.49Å | ||
| 997 | Y | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -123.9 | 27.7 | -174.9 | -66.5 | -70.1 | 0 | 0 | 0 | 112.4 | A948 V949 F952 F956 N999 A1003 T1006 L1007 Y1041 | A948-Y997 HydrophobicContact CB-CD1 3.4Å; A948-Y997 VanDerWaalsContact CB-CD1 3.4Å; A948-Y997 HydrophobicContact CB-CE1 3.47Å; A948-Y997 VanDerWaalsContact CB-CE1 3.47Å; A948-Y997 HydrophobicContact CB-CG 4.11Å; V949-Y997 WeakPolarHBondContact CG2-O 3.31Å; F952-Y997 HydrophobicContact CB-CD2 3.59Å; F952-Y997 HydrophobicContact CB-CE2 4.48Å; F952-Y997 HydrophobicContact CB-CG 3.94Å; F952-Y997 AromaticContact CD2-CD2 3.73Å; F952-Y997 HydrophobicContact CD2-CD2 3.73Å; F952-Y997 AromaticContact CD2-CE2 3.84Å; F952-Y997 HydrophobicContact CD2-CE2 3.84Å; F952-Y997 HydrophobicContact CD2-CG 4.23Å; F952-Y997 HydrophobicContact CE2-CE2 4.38Å; F952-Y997 AromaticContact CG-CD2 3.87Å; F952-Y997 HydrophobicContact CG-CD2 3.87Å; F952-Y997 HydrophobicContact CG-CE2 4.3Å; F952-Y997 HydrophobicContact CG-CG 4.49Å; F956-Y997 HydrophobicContact CD2-CD2 4.46Å; F956-Y997 HydrophobicContact CE1-CD2 4.05Å; F956-Y997 HydrophobicContact CE1-CE2 4.17Å; F956-Y997 AromaticContact CE2-CD2 3.87Å; F956-Y997 HydrophobicContact CE2-CD2 3.87Å; F956-Y997 HydrophobicContact CE2-CE2 4.37Å; F956-Y997 AromaticContact CZ-CD2 3.63Å; F956-Y997 HydrophobicContact CZ-CD2 3.63Å; F956-Y997 AromaticContact CZ-CE2 3.74Å; F956-Y997 HydrophobicContact CZ-CE2 3.74Å; Y997-N999 VanDerWaalsContact C-N 3.34Å; Y997-N999 PolarHBondContact O-N 3.39Å; Y997-A1003 HydrophobicContact CD1-CB 3.71Å; Y997-A1003 HydrophobicContact CE1-CB 4.45Å; Y997-T1006 HydrophobicContact CD1-CG2 4.34Å; Y997-T1006 HydrophobicContact CE1-CG2 3.69Å; Y997-T1006 HydrophobicContact CE2-CG2 3.98Å; Y997-L1007 HydrophobicContact CE1-CD2 4.36Å; Y997-L1007 HydrophobicContact CE1-CG 4.19Å; Y997-Y1041 WeakPolarHBondContact CE2-OH 3.29Å; Y997-Y1041 PolarHBondContact OH-OH 3.47Å | ||
| 998 | D | 90.9 | Very high | 89.3 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -79.7 | -16.5 | -171 | -64.8 | -42.9 | 0 | 0 | 0 | 113.7 | H426 H427 G954 N996 | H426-D998 CarbonylContact C-O 3.33Å; H426-D998 VanDerWaalsContact CA-O 3.22Å; H426-D998 WeakPolarHBondContact CA-O 3.37Å; H426-D998 WeakPolarHBondContact CB-O 3.3Å; H427-D998 HydrophobicContact CB-CB 4Å; H427-D998 PolarHBondContact N-O 3.33Å; G954-D998 PolarHBondContact N-OD1 3.44Å; N996-D998 PolarHBondContact OD1-N 3.07Å; N996-D998 PolarHBondContact OD1-OD2 3.13Å |
| 999 | N | 90.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -146.2 | 167.2 | 164.7 | 72.8 | 46.5 | 0 | 0 | 0 | 111.1 | H426 Y997 I1001 H1002 A1003 | H426-N999 HydrophobicContact CB-CB 4.11Å; Y997-N999 VanDerWaalsContact C-N 3.34Å; Y997-N999 PolarHBondContact O-N 3.39Å; N999-I1001 PolarHBondContact O-N 3.38Å; N999-I1001 WeakPolarHBondContact OD1-CA 3.45Å; N999-I1001 WeakPolarHBondContact OD1-CB 3.47Å; N999-I1001 PolarHBondContact OD1-N 2.86Å; N999-H1002 PolarHBondContact ND2-CD2 3.17Å; N999-H1002 PolarHBondContact O-N 2.8Å; N999-H1002 PolarHBondContact OD1-CD2 3.14Å; N999-H1002 PolarHBondContact OD1-N 3.47Å; N999-A1003 VanDerWaalsContact O-CB 3.24Å; N999-A1003 WeakPolarHBondContact O-CB 3.39Å; N999-A1003 PolarHBondContact O-N 3.34Å |
| 1000 | V | 89.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -24.7 | -175.4 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | F942 A945 V946 V949 I1004 | F942-V1000 HydrophobicContact CD2-CG1 4Å; F942-V1000 HydrophobicContact CE2-CG1 4.09Å; A945-V1000 HydrophobicContact CB-CG1 4.21Å; V946-V1000 HydrophobicContact CG2-CG1 4.03Å; V946-V1000 HydrophobicContact CG2-CG2 3.98Å; V949-V1000 HydrophobicContact CG2-CG2 4.11Å; V1000-I1004 HydrophobicContact CG1-CD1 4.18Å; V1000-I1004 VanDerWaalsContact O-CG1 3.25Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.35Å; V1000-I1004 PolarHBondContact O-N 2.8Å |
| 1001 | I | 88.9 | Confident | 87.4 | Confident | 132 Ų | 132 | 37.7 Ų | 37.7 | 68% | 0.677 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -79.2 | -48.5 | -178.7 | -59.6 | 177.4 | 0 | 0 | 0 | 110.5 | N999 A1003 I1004 L1005 | N999-I1001 PolarHBondContact O-N 3.38Å; N999-I1001 WeakPolarHBondContact OD1-CA 3.45Å; N999-I1001 WeakPolarHBondContact OD1-CB 3.47Å; N999-I1001 PolarHBondContact OD1-N 2.86Å; I1001-A1003 VanDerWaalsContact C-N 3.28Å; I1001-A1003 PolarHBondContact O-N 3.29Å; I1001-I1004 PolarHBondContact O-N 2.81Å; I1001-I1004 VanDerWaalsContact O-N 3.16Å; I1001-L1005 PolarHBondContact O-N 2.98Å; I1001-L1005 VanDerWaalsContact O-N 3.09Å |
| 1002 | H | 89.1 | Confident | 86.1 | Confident | 81 Ų | 81 | 31.7 Ų | 31.7 | 38% | 0.375 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 170.6 | -62.2 | -57.5 | 0 | 0 | 0 | 110.6 | N996 N999 I1004 L1005 T1006 | N996-H1002 CarbonylContact O-C 3.47Å; N999-H1002 PolarHBondContact ND2-CD2 3.17Å; N999-H1002 PolarHBondContact O-N 2.8Å; N999-H1002 PolarHBondContact OD1-CD2 3.14Å; N999-H1002 PolarHBondContact OD1-N 3.47Å; H1002-I1004 VanDerWaalsContact C-N 3.3Å; H1002-I1004 PolarHBondContact O-N 3.29Å; H1002-L1005 PolarHBondContact O-N 2.9Å; H1002-L1005 VanDerWaalsContact O-N 3.15Å; H1002-T1006 VanDerWaalsContact O-CB 3.31Å; H1002-T1006 WeakPolarHBondContact O-CB 3.36Å; H1002-T1006 PolarHBondContact O-N 3.33Å; H1002-T1006 PolarHBondContact O-OG1 3.39Å; H1002-T1006 VanDerWaalsContact O-OG1 3.08Å |
| 1003 | A | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -33.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A945 V949 Y997 N999 I1001 L1007 | A945-A1003 HydrophobicContact CB-CB 3.88Å; V949-A1003 HydrophobicContact CG2-CB 3.73Å; Y997-A1003 HydrophobicContact CD1-CB 3.71Å; Y997-A1003 HydrophobicContact CE1-CB 4.45Å; N999-A1003 VanDerWaalsContact O-CB 3.24Å; N999-A1003 WeakPolarHBondContact O-CB 3.39Å; N999-A1003 PolarHBondContact O-N 3.34Å; I1001-A1003 VanDerWaalsContact C-N 3.28Å; I1001-A1003 PolarHBondContact O-N 3.29Å; A1003-L1007 WeakPolarHBondContact O-CB 3.45Å; A1003-L1007 WeakPolarHBondContact O-CG 3.43Å; A1003-L1007 PolarHBondContact O-N 3.04Å |
| 1004 | I | 89.1 | Confident | 83.5 | Confident | 30 Ų | 30 | 27 Ų | 27 | 15% | 0.154 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 173.5 | -75.6 | 167.6 | 0 | 0 | 0 | 111.5 | W938 Q941 A945 V1000 I1001 H1002 F1008 | W938-I1004 HydrophobicContact CH2-CG2 4.35Å; W938-I1004 HydrophobicContact CZ3-CD1 4.42Å; W938-I1004 HydrophobicContact CZ3-CG2 3.99Å; Q941-I1004 HydrophobicContact CG-CG1 4.35Å; Q941-I1004 HydrophobicContact CG-CG2 4.09Å; Q941-I1004 PolarHBondContact NE2-O 3.08Å; A945-I1004 HydrophobicContact CB-CD1 4.49Å; A945-I1004 HydrophobicContact CB-CG1 3.57Å; V1000-I1004 HydrophobicContact CG1-CD1 4.18Å; V1000-I1004 VanDerWaalsContact O-CG1 3.25Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.35Å; V1000-I1004 PolarHBondContact O-N 2.8Å; I1001-I1004 PolarHBondContact O-N 2.81Å; I1001-I1004 VanDerWaalsContact O-N 3.16Å; H1002-I1004 VanDerWaalsContact C-N 3.3Å; H1002-I1004 PolarHBondContact O-N 3.29Å; I1004-F1008 WeakPolarHBondContact O-CB 3.5Å; I1004-F1008 PolarHBondContact O-N 3.43Å |
| 1005 | L | 88.4 | Confident | 83 | Confident | 31 Ų | 31 | 22.2 Ų | 22.2 | 16% | 0.162 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.7 | -48.4 | 177.3 | 177.9 | 64.8 | 0 | 0 | 0 | 111.7 | I1001 H1002 F1008 T1009 M1321 Y1343 | I1001-L1005 PolarHBondContact O-N 2.98Å; I1001-L1005 VanDerWaalsContact O-N 3.09Å; H1002-L1005 PolarHBondContact O-N 2.9Å; H1002-L1005 VanDerWaalsContact O-N 3.15Å; L1005-F1008 CarbonylContact O-C 3.52Å; L1005-F1008 WeakPolarHBondContact O-CA 3.04Å; L1005-F1008 VanDerWaalsContact O-CB 3.29Å; L1005-F1008 WeakPolarHBondContact O-CB 3.25Å; L1005-F1008 PolarHBondContact O-N 3.23Å; L1005-T1009 PolarHBondContact O-N 2.91Å; L1005-M1321 HydrophobicContact CD1-CE 4.44Å; L1005-Y1343 HydrophobicContact CD2-CD1 3.63Å; L1005-Y1343 HydrophobicContact CD2-CE1 3.97Å; L1005-Y1343 HydrophobicContact CD2-CG 4.27Å |
| 1006 | T | 89.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 172.5 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | F995 N996 Y997 H1002 F1008 T1009 V1010 V1015 | F995-T1006 HydrophobicContact CB-CG2 4.02Å; N996-T1006 PolarHBondContact N-OG1 3.34Å; N996-T1006 VanDerWaalsContact N-OG1 3.16Å; N996-T1006 PolarHBondContact O-OG1 3.49Å; Y997-T1006 HydrophobicContact CD1-CG2 4.34Å; Y997-T1006 HydrophobicContact CE1-CG2 3.69Å; Y997-T1006 HydrophobicContact CE2-CG2 3.98Å; H1002-T1006 VanDerWaalsContact O-CB 3.31Å; H1002-T1006 WeakPolarHBondContact O-CB 3.36Å; H1002-T1006 PolarHBondContact O-N 3.33Å; H1002-T1006 PolarHBondContact O-OG1 3.39Å; H1002-T1006 VanDerWaalsContact O-OG1 3.08Å; T1006-F1008 PolarHBondContact O-N 3.13Å; T1006-T1009 CarbonylContact O-C 2.93Å; T1006-T1009 PolarHBondContact O-N 3.3Å; T1006-T1009 PolarHBondContact O-OG1 2.8Å; T1006-V1010 HydrophobicContact CG2-CG2 4.14Å; T1006-V1010 VanDerWaalsContact O-CB 3.26Å; T1006-V1010 WeakPolarHBondContact O-CB 3.4Å; T1006-V1010 WeakPolarHBondContact O-CG2 3.46Å; T1006-V1010 PolarHBondContact O-N 2.82Å; T1006-V1015 HydrophobicContact CG2-CG1 4.26Å; T1006-V1015 HydrophobicContact CG2-CG2 4.48Å |
| 1007 | L | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -25.2 | 172.9 | -78.2 | 178.5 | 0 | 0 | 0 | 113.1 | Q941 F944 A945 Y997 A1003 T1011 F1040 F1044 | Q941-L1007 PolarHBondContact NE2-O 2.82Å; F944-L1007 VanDerWaalsContact C-CD1 3.43Å; F944-L1007 HydrophobicContact CB-CD1 3.58Å; A945-L1007 HydrophobicContact CB-CD1 3.98Å; A945-L1007 VanDerWaalsContact N-CD1 3.26Å; Y997-L1007 HydrophobicContact CE1-CD2 4.36Å; Y997-L1007 HydrophobicContact CE1-CG 4.19Å; A1003-L1007 WeakPolarHBondContact O-CB 3.45Å; A1003-L1007 WeakPolarHBondContact O-CG 3.43Å; A1003-L1007 PolarHBondContact O-N 3.04Å; L1007-T1011 VanDerWaalsContact O-CG2 3.26Å; L1007-T1011 WeakPolarHBondContact O-CG2 3.18Å; L1007-T1011 PolarHBondContact O-N 3.11Å; L1007-F1040 HydrophobicContact CD2-CE1 3.9Å; L1007-F1040 HydrophobicContact CD2-CZ 4.05Å; L1007-F1044 HydrophobicContact CB-CZ 4.14Å; L1007-F1044 HydrophobicContact CD2-CD2 4.4Å; L1007-F1044 HydrophobicContact CD2-CE1 4.24Å; L1007-F1044 HydrophobicContact CD2-CE2 4.13Å; L1007-F1044 HydrophobicContact CD2-CZ 4.04Å; L1007-F1044 WeakPolarHBondContact O-CE1 3.17Å |
| 1008 | F | 84.3 | Confident | 81.9 | Confident | 34 Ų | 34 | 28.5 Ų | 28.5 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.3 | -43 | 173.9 | -175.1 | -101.1 | 0 | 0 | 0 | 111.1 | Y937 I1004 L1005 T1006 V1010 T1011 T1012 W1317 | Y937-F1008 WeakPolarHBondContact OH-CD2 3.38Å; I1004-F1008 WeakPolarHBondContact O-CB 3.5Å; I1004-F1008 PolarHBondContact O-N 3.43Å; L1005-F1008 CarbonylContact O-C 3.52Å; L1005-F1008 WeakPolarHBondContact O-CA 3.04Å; L1005-F1008 VanDerWaalsContact O-CB 3.29Å; L1005-F1008 WeakPolarHBondContact O-CB 3.25Å; L1005-F1008 PolarHBondContact O-N 3.23Å; T1006-F1008 PolarHBondContact O-N 3.13Å; F1008-V1010 VanDerWaalsContact C-N 3.26Å; F1008-V1010 PolarHBondContact O-N 3.23Å; F1008-T1011 WeakPolarHBondContact O-CB 3.21Å; F1008-T1011 PolarHBondContact O-N 2.99Å; F1008-T1011 VanDerWaalsContact O-N 3.08Å; F1008-T1011 PolarHBondContact O-OG1 3.31Å; F1008-T1012 PolarHBondContact O-N 2.78Å; F1008-W1317 AromaticContact CD1-CH2 3.75Å; F1008-W1317 HydrophobicContact CD1-CH2 3.75Å; F1008-W1317 HydrophobicContact CD1-CZ2 4.21Å; F1008-W1317 AromaticContact CE1-CH2 3.58Å; F1008-W1317 HydrophobicContact CE1-CH2 3.58Å; F1008-W1317 HydrophobicContact CE1-CZ2 4.01Å; F1008-W1317 HydrophobicContact CE1-CZ3 4.46Å |
| 1009 | T | 82.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.4 | -19 | 172.9 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | F995 L1005 T1006 T1012 G1013 W1317 Q1318 M1321 | F995-T1009 HydrophobicContact CD1-CG2 4.34Å; F995-T1009 WeakPolarHBondContact CD1-OG1 3.38Å; F995-T1009 HydrophobicContact CE1-CG2 3.63Å; F995-T1009 HydrophobicContact CZ-CG2 3.74Å; L1005-T1009 PolarHBondContact O-N 2.91Å; T1006-T1009 CarbonylContact O-C 2.93Å; T1006-T1009 PolarHBondContact O-N 3.3Å; T1006-T1009 PolarHBondContact O-OG1 2.8Å; T1009-T1012 VanDerWaalsContact CA-OG1 3.27Å; T1009-T1012 WeakPolarHBondContact CA-OG1 3.39Å; T1009-T1012 PolarHBondContact O-N 2.85Å; T1009-T1012 PolarHBondContact O-OG1 3.28Å; T1009-G1013 PolarHBondContact O-N 3.08Å; T1009-W1317 HydrophobicContact CG2-CH2 3.73Å; T1009-W1317 HydrophobicContact CG2-CZ2 3.98Å; T1009-Q1318 HydrophobicContact CG2-CB 3.74Å; T1009-M1321 HydrophobicContact CG2-CE 4.43Å |
| 1010 | V | 79 | Confident | 81.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -82.7 | -24.3 | 166.5 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | T1006 F1008 T1012 E1014 V1015 Y1041 F1044 F1045 | T1006-V1010 HydrophobicContact CG2-CG2 4.14Å; T1006-V1010 VanDerWaalsContact O-CB 3.26Å; T1006-V1010 WeakPolarHBondContact O-CB 3.4Å; T1006-V1010 WeakPolarHBondContact O-CG2 3.46Å; T1006-V1010 PolarHBondContact O-N 2.82Å; F1008-V1010 VanDerWaalsContact C-N 3.26Å; F1008-V1010 PolarHBondContact O-N 3.23Å; V1010-T1012 PolarHBondContact O-N 2.97Å; V1010-E1014 WeakPolarHBondContact CG2-O 3.38Å; V1010-V1015 HydrophobicContact CG2-CB 4Å; V1010-V1015 HydrophobicContact CG2-CG2 4.28Å; V1010-Y1041 HydrophobicContact CB-CE1 4.25Å; V1010-Y1041 HydrophobicContact CG1-CD1 3.54Å; V1010-Y1041 HydrophobicContact CG1-CE1 3.43Å; V1010-Y1041 VanDerWaalsContact CG1-CE1 3.43Å; V1010-Y1041 HydrophobicContact CG2-CE1 3.68Å; V1010-F1044 HydrophobicContact CG1-CD1 3.91Å; V1010-F1044 HydrophobicContact CG1-CE1 4.08Å; V1010-F1045 HydrophobicContact CG1-CZ 4.25Å; V1010-F1045 WeakPolarHBondContact O-CE1 3.22Å; V1010-F1045 WeakPolarHBondContact O-CZ 3.24Å |
| 1011 | T | 71.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -27 | 166.1 | 69 | 0 | 0 | 0 | 0 | 111.2 | L1007 F1008 F1044 F1048 L2129 | L1007-T1011 VanDerWaalsContact O-CG2 3.26Å; L1007-T1011 WeakPolarHBondContact O-CG2 3.18Å; L1007-T1011 PolarHBondContact O-N 3.11Å; F1008-T1011 WeakPolarHBondContact O-CB 3.21Å; F1008-T1011 PolarHBondContact O-N 2.99Å; F1008-T1011 VanDerWaalsContact O-N 3.08Å; F1008-T1011 PolarHBondContact O-OG1 3.31Å; T1011-F1044 HydrophobicContact CG2-CE1 3.61Å; T1011-F1044 HydrophobicContact CG2-CZ 3.61Å; T1011-F1048 HydrophobicContact CG2-CD1 3.75Å; T1011-F1048 HydrophobicContact CG2-CE1 3.3Å; T1011-F1048 HydrophobicContact CG2-CZ 3.79Å; T1011-L2129 HydrophobicContact CG2-CD2 4.17Å; T1011-L2129 CarbonylContact O-C 3.05Å; T1011-L2129 VanDerWaalsContact O-C 3.28Å; T1011-L2129 WeakPolarHBondContact O-CA 3.45Å; T1011-L2129 WeakPolarHBondContact O-CB 3.25Å; T1011-L2129 WeakPolarHBondContact OG1-CD2 3.37Å |
| 1012 | T | 62.4 | Low | 81.4 | Confident | 12 Ų | 12 | 20 Ų | 20 | 7% | 0.074 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.9 | -79.1 | 165.2 | 51.1 | 0 | 0 | 0 | 0 | 107.6 | F1008 T1009 V1010 W1317 F2130 P2131 | F1008-T1012 PolarHBondContact O-N 2.78Å; T1009-T1012 VanDerWaalsContact CA-OG1 3.27Å; T1009-T1012 WeakPolarHBondContact CA-OG1 3.39Å; T1009-T1012 PolarHBondContact O-N 2.85Å; T1009-T1012 PolarHBondContact O-OG1 3.28Å; V1010-T1012 PolarHBondContact O-N 2.97Å; T1012-W1317 HydrophobicContact CG2-CZ2 4.17Å; T1012-F2130 VanDerWaalsContact CA-C 3.41Å; T1012-F2130 VanDerWaalsContact CB-O 3.31Å; T1012-F2130 WeakPolarHBondContact CB-O 3.14Å; T1012-F2130 VanDerWaalsContact CG2-O 3.24Å; T1012-F2130 WeakPolarHBondContact CG2-O 3.44Å; T1012-F2130 CarbonylContact O-C 3.35Å; T1012-F2130 VanDerWaalsContact O-CA 3.25Å; T1012-F2130 WeakPolarHBondContact O-CA 3.26Å; T1012-P2131 WeakPolarHBondContact O-CD 3.36Å |
| 1013 | G | 59.1 | Low | 81.3 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -174 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | E586 T1009 F1045 | E586-G1013 VanDerWaalsContact OE1-C 3.22Å; E586-G1013 WeakPolarHBondContact OE1-CA 3.45Å; T1009-G1013 PolarHBondContact O-N 3.08Å; G1013-F1045 WeakPolarHBondContact O-CZ 3.44Å |
| 1014 | E | 61.8 | Low | 80.9 | Confident | 15 Ų | 15 | 20.1 Ų | 20.1 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | trans | -66.3 | -171.3 | -169.3 | -54.5 | -176.1 | 122.4 | 0 | 0 | 115 | E586 V1010 L1016 Q1318 P2131 Y2133 Y2134 | E586-E1014 PolarHBondContact OE1-N 2.96Å; V1010-E1014 WeakPolarHBondContact CG2-O 3.38Å; E1014-L1016 PolarHBondContact O-N 3.09Å; E1014-Q1318 PolarHBondContact OE1-NE2 3.42Å; E1014-Q1318 WeakPolarHBondContact OE2-CG 3.05Å; E1014-Q1318 PolarHBondContact OE2-NE2 2.87Å; E1014-P2131 HydrophobicContact CG-CB 4.42Å; E1014-P2131 HydrophobicContact CG-CG 4.2Å; E1014-Y2133 HydrophobicContact CB-CD1 4.39Å; E1014-Y2133 HydrophobicContact CB-CE1 4Å; E1014-Y2133 HydrophobicContact CG-CD1 3.8Å; E1014-Y2133 HydrophobicContact CG-CE1 3.92Å; E1014-Y2133 HydrophobicContact CG-CG 4.3Å; E1014-Y2133 WeakPolarHBondContact OE1-CA 3.48Å; E1014-Y2134 PolarHBondContact OE1-N 2.82Å | ||
| 1015 | V | 76.8 | Confident | 80.6 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | trans | 74.9 | -9.5 | 177.4 | -166 | 0 | 0 | 0 | 0 | 115.2 | F956 F995 T1006 V1010 K1017 N1018 S1019 | F956-V1015 HydrophobicContact CE1-CG1 3.68Å; F956-V1015 HydrophobicContact CZ-CG1 4.33Å; F995-V1015 HydrophobicContact CB-CG2 3.73Å; F995-V1015 HydrophobicContact CD2-CG2 4.12Å; F995-V1015 HydrophobicContact CG-CG2 4.2Å; T1006-V1015 HydrophobicContact CG2-CG1 4.26Å; T1006-V1015 HydrophobicContact CG2-CG2 4.48Å; V1010-V1015 HydrophobicContact CG2-CB 4Å; V1010-V1015 HydrophobicContact CG2-CG2 4.28Å; V1015-K1017 PolarHBondContact O-N 3.49Å; V1015-N1018 HydrophobicContact CG1-CB 4.44Å; V1015-N1018 PolarHBondContact O-N 3.46Å; V1015-S1019 PolarHBondContact O-N 2.72Å; V1015-S1019 PolarHBondContact O-OG 3.44Å | ||
| 1016 | L | 81 | Confident | 80.5 | Confident | 23 Ų | 23 | 23.4 Ų | 23.4 | 12% | 0.12 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.6 | -50.7 | 176 | 175.2 | 58.9 | 0 | 0 | 0 | 113 | E1014 N1018 S1019 I1020 A1038 Y1041 | E1014-L1016 PolarHBondContact O-N 3.09Å; L1016-N1018 PolarHBondContact O-N 3.05Å; L1016-S1019 WeakPolarHBondContact O-CB 3.42Å; L1016-S1019 PolarHBondContact O-N 3.04Å; L1016-S1019 VanDerWaalsContact O-N 3.09Å; L1016-I1020 HydrophobicContact CD1-CD1 3.99Å; L1016-I1020 HydrophobicContact CD1-CG1 4.31Å; L1016-I1020 HydrophobicContact CG-CD1 4.08Å; L1016-I1020 PolarHBondContact O-N 3.34Å; L1016-I1020 VanDerWaalsContact O-N 3.17Å; L1016-A1038 HydrophobicContact CD1-CB 3.98Å; L1016-Y1041 HydrophobicContact CB-CD1 4.36Å; L1016-Y1041 HydrophobicContact CD1-CD1 4.32Å; L1016-Y1041 HydrophobicContact CD1-CD2 3.9Å; L1016-Y1041 HydrophobicContact CD1-CG 3.74Å |
| 1017 | K | 82 | Confident | 80.4 | Confident | 100 Ų | 100 | 30.1 Ų | 30.1 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -53.8 | -54.3 | 178.9 | 173.5 | 176.3 | 171.8 | 172.9 | 0 | 112.2 | T566 V1015 S1019 I1020 D1021 | T566-K1017 HydrophobicContact CG2-CD 4.14Å; V1015-K1017 PolarHBondContact O-N 3.49Å; K1017-S1019 PolarHBondContact O-N 3.25Å; K1017-I1020 PolarHBondContact O-N 2.92Å; K1017-D1021 WeakPolarHBondContact CG-OD2 3.31Å; K1017-D1021 PolarHBondContact O-N 2.96Å |
| 1018 | N | 84.5 | Confident | 80.3 | Confident | 39 Ų | 39 | 30.1 Ų | 30.1 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.7 | -23.7 | 179.6 | -64.2 | -25.3 | 0 | 0 | 0 | 113.3 | F956 V1015 L1016 | F956-N1018 HydrophobicContact CE1-CB 4.15Å; V1015-N1018 HydrophobicContact CG1-CB 4.44Å; V1015-N1018 PolarHBondContact O-N 3.46Å; L1016-N1018 PolarHBondContact O-N 3.05Å |
| 1019 | S | 86.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -87.5 | -35.5 | -179.9 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | V1015 L1016 K1017 D1021 S1022 Y1041 | V1015-S1019 PolarHBondContact O-N 2.72Å; V1015-S1019 PolarHBondContact O-OG 3.44Å; L1016-S1019 WeakPolarHBondContact O-CB 3.42Å; L1016-S1019 PolarHBondContact O-N 3.04Å; L1016-S1019 VanDerWaalsContact O-N 3.09Å; K1017-S1019 PolarHBondContact O-N 3.25Å; S1019-D1021 VanDerWaalsContact C-N 3.32Å; S1019-S1022 WeakPolarHBondContact O-CB 3.46Å; S1019-S1022 PolarHBondContact O-N 3.39Å; S1019-S1022 PolarHBondContact O-OG 3.19Å; S1019-Y1041 WeakPolarHBondContact OG-CE2 3.34Å; S1019-Y1041 VanDerWaalsContact OG-CZ 3.27Å; S1019-Y1041 PolarHBondContact OG-OH 3.13Å |
| 1020 | I | 86.6 | Confident | 80.7 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 9% | 0.087 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 171.9 | -68.3 | 168.9 | 0 | 0 | 0 | 110 | L577 L1016 K1017 S1022 R1034 Q1035 A1038 | L577-I1020 HydrophobicContact CD1-CD1 4.14Å; L1016-I1020 HydrophobicContact CD1-CD1 3.99Å; L1016-I1020 HydrophobicContact CD1-CG1 4.31Å; L1016-I1020 HydrophobicContact CG-CD1 4.08Å; L1016-I1020 PolarHBondContact O-N 3.34Å; L1016-I1020 VanDerWaalsContact O-N 3.17Å; K1017-I1020 PolarHBondContact O-N 2.92Å; I1020-S1022 PolarHBondContact O-N 3.33Å; I1020-R1034 CarbonylContact O-C 3.6Å; I1020-R1034 WeakPolarHBondContact O-CA 3.39Å; I1020-R1034 PolarHBondContact O-N 3.31Å; I1020-Q1035 HydrophobicContact CG2-CG 4.14Å; I1020-A1038 HydrophobicContact CD1-CB 4.16Å; I1020-A1038 HydrophobicContact CG1-CB 4.28Å |
| 1021 | D | 87.5 | Confident | 80.9 | Confident | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.1 | -180 | -55.7 | -28.3 | 0 | 0 | 0 | 113 | K1017 S1019 P1029 S1030 P1031 D1032 | K1017-D1021 WeakPolarHBondContact CG-OD2 3.31Å; K1017-D1021 PolarHBondContact O-N 2.96Å; S1019-D1021 VanDerWaalsContact C-N 3.32Å; D1021-P1029 HydrophobicContact CB-CB 3.99Å; D1021-P1029 CarbonylContact O-C 3.44Å; D1021-P1029 VanDerWaalsContact O-CA 3.23Å; D1021-P1029 WeakPolarHBondContact O-CA 3.27Å; D1021-S1030 VanDerWaalsContact CA-O 3.29Å; D1021-S1030 WeakPolarHBondContact CA-O 3.25Å; D1021-S1030 PolarHBondContact O-N 3.07Å; D1021-P1031 WeakPolarHBondContact OD1-CA 3.48Å; D1021-D1032 PolarHBondContact OD1-N 3.33Å |
| 1022 | S | 87.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | trans | -77.3 | 125.7 | -172.1 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | S1019 I1020 R1034 | S1019-S1022 WeakPolarHBondContact O-CB 3.46Å; S1019-S1022 PolarHBondContact O-N 3.39Å; S1019-S1022 PolarHBondContact O-OG 3.19Å; I1020-S1022 PolarHBondContact O-N 3.33Å; S1022-R1034 WeakPolarHBondContact O-CD 3.43Å; S1022-R1034 WeakPolarHBondContact O-CG 3.31Å | ||
| 1023 | T | 86.5 | Confident | 82.6 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | trans | -95.9 | -98.8 | -166.5 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | R1027 G1028 S1030 F1033 R1034 | T1023-R1027 WeakPolarHBondContact OG1-CB 3.37Å; T1023-G1028 WeakPolarHBondContact CG2-O 3.18Å; T1023-G1028 PolarHBondContact OG1-O 3.33Å; T1023-S1030 VanDerWaalsContact CG2-CB 3.49Å; T1023-F1033 HydrophobicContact CG2-CB 4.45Å; T1023-F1033 HydrophobicContact CG2-CD1 3.85Å; T1023-F1033 HydrophobicContact CG2-CE1 4.36Å; T1023-F1033 HydrophobicContact CG2-CG 4.24Å; T1023-R1034 PolarHBondContact O-NE 2.73Å | ||
| 1024 | V | 83.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -127.2 | 158.4 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 106.4 | R1027 | V1024-R1027 PolarHBondContact O-N 3.13Š|
| 1025 | A | 84.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 144 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G954 R1027 | G954-A1025 CarbonylContact O-C 3.55Å; G954-A1025 WeakPolarHBondContact O-CA 3.3Å; A1025-R1027 PolarHBondContact O-N 3.45Å |
| 1026 | D | 85.5 | Confident | 85.1 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 21.6 | 179.1 | -50.7 | -58.8 | 0 | 0 | 0 | 114.7 | H427 G954 | H427-D1026 IonicContact CD2-OD1 3.3Å; H427-D1026 IonicContact CE1-OD1 3.88Å; H427-D1026 PolarHBondContact CE1-OD1 3.42Å; H427-D1026 VanDerWaalsContact CE1-OD1 3.24Å; H427-D1026 IonicContact NE2-OD1 2.68Å; H427-D1026 PolarHBondContact NE2-OD1 3.37Å; H427-D1026 IonicContact NE2-OD2 2.95Å; G954-D1026 PolarHBondContact O-N 3.21Å |
| 1027 | R | 87.4 | Confident | 85.2 | Confident | 143 Ų | 143 | 51 Ų | 51 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -124.2 | 155.1 | 171.9 | -65.6 | -170.1 | -179.7 | -166 | -3.2 | 112.3 | M965 T1023 V1024 A1025 | M965-R1027 CarbonylContact O-C 3.1Å; M965-R1027 VanDerWaalsContact O-CA 3.3Å; M965-R1027 WeakPolarHBondContact O-CA 3.32Å; T1023-R1027 WeakPolarHBondContact OG1-CB 3.37Å; V1024-R1027 PolarHBondContact O-N 3.13Å; A1025-R1027 PolarHBondContact O-N 3.45Å |
| 1028 | G | 85.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -69.2 | 169.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M965 T1023 | M965-G1028 PolarHBondContact O-N 3.03Å; T1023-G1028 WeakPolarHBondContact CG2-O 3.18Å; T1023-G1028 PolarHBondContact OG1-O 3.33Å | ||
| 1029 | P | 89.4 | Confident | 85.4 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | trans | -72.1 | 146.2 | 176.9 | 31.4 | -35 | 0 | 0 | 0 | 111.3 | F957 M965 D1021 | F957-P1029 WeakPolarHBondContact O-CD 3.37Å; M965-P1029 VanDerWaalsContact CE-O 3.31Å; M965-P1029 WeakPolarHBondContact CE-O 3.46Å; D1021-P1029 HydrophobicContact CB-CB 3.99Å; D1021-P1029 CarbonylContact O-C 3.44Å; D1021-P1029 VanDerWaalsContact O-CA 3.23Å; D1021-P1029 WeakPolarHBondContact O-CA 3.27Å | ||
| 1030 | S | 86.7 | Confident | 85.3 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -127.8 | 124.1 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | D1021 T1023 D1032 F1033 | D1021-S1030 VanDerWaalsContact CA-O 3.29Å; D1021-S1030 WeakPolarHBondContact CA-O 3.25Å; D1021-S1030 PolarHBondContact O-N 3.07Å; T1023-S1030 VanDerWaalsContact CG2-CB 3.49Å; S1030-D1032 PolarHBondContact O-N 2.86Å; S1030-F1033 WeakPolarHBondContact O-CB 3.19Å; S1030-F1033 PolarHBondContact O-N 3.4Å | ||
| 1031 | P | 83.7 | Confident | 85.3 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 134.6 | -176.9 | -30.4 | 36.3 | 0 | 0 | 0 | 113.6 | D1021 F1033 | D1021-P1031 WeakPolarHBondContact OD1-CA 3.48Å; P1031-F1033 PolarHBondContact O-N 3.49Å |
| 1032 | D | 83.1 | Confident | 84.9 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 6.9 | 175 | -77.1 | -70.9 | 0 | 0 | 0 | 116.5 | K574 D1021 S1030 R1034 Q1035 | K574-D1032 WeakPolarHBondContact CE-OD1 3.42Å; K574-D1032 VanDerWaalsContact CE-OD2 3.25Å; K574-D1032 WeakPolarHBondContact CE-OD2 3.41Å; K574-D1032 IonicContact NZ-OD1 2.73Å; K574-D1032 PolarHBondContact NZ-OD1 3.02Å; K574-D1032 IonicContact NZ-OD2 2.73Å; K574-D1032 PolarHBondContact NZ-OD2 2.99Å; D1021-D1032 PolarHBondContact OD1-N 3.33Å; S1030-D1032 PolarHBondContact O-N 2.86Å; D1032-R1034 PolarHBondContact O-N 2.99Å; D1032-R1034 VanDerWaalsContact O-N 3.09Å; D1032-Q1035 HydrophobicContact CB-CG 4.49Å; D1032-Q1035 PolarHBondContact OD1-NE2 3.04Å |
| 1033 | F | 85.6 | Confident | 84.6 | Confident | 98 Ų | 98 | 54.4 Ų | 54.4 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.7 | -170 | -178.2 | -109.7 | 0 | 0 | 0 | 114.7 | T1023 S1030 P1031 | T1023-F1033 HydrophobicContact CG2-CB 4.45Å; T1023-F1033 HydrophobicContact CG2-CD1 3.85Å; T1023-F1033 HydrophobicContact CG2-CE1 4.36Å; T1023-F1033 HydrophobicContact CG2-CG 4.24Å; S1030-F1033 WeakPolarHBondContact O-CB 3.19Å; S1030-F1033 PolarHBondContact O-N 3.4Å; P1031-F1033 PolarHBondContact O-N 3.49Å |
| 1034 | R | 85 | Confident | 84.4 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 62 | 179.3 | -61.9 | -161.2 | 174 | -67.3 | -8.5 | 114.6 | F495 I1020 S1022 T1023 D1032 E1036 M1037 | F495-R1034 VanDerWaalsContact CE1-NH1 3.35Å; F495-R1034 VanDerWaalsContact CE2-CZ 3.41Å; I1020-R1034 CarbonylContact O-C 3.6Å; I1020-R1034 WeakPolarHBondContact O-CA 3.39Å; I1020-R1034 PolarHBondContact O-N 3.31Å; S1022-R1034 WeakPolarHBondContact O-CD 3.43Å; S1022-R1034 WeakPolarHBondContact O-CG 3.31Å; T1023-R1034 PolarHBondContact O-NE 2.73Å; D1032-R1034 PolarHBondContact O-N 2.99Å; D1032-R1034 VanDerWaalsContact O-N 3.09Å; R1034-E1036 VanDerWaalsContact C-OE2 3.26Å; R1034-E1036 WeakPolarHBondContact CA-OE2 3.41Å; R1034-E1036 IonicContact CZ-OE1 3.43Å; R1034-E1036 IonicContact NH1-OE1 2.63Å; R1034-E1036 PolarHBondContact NH1-OE1 2.85Å; R1034-E1036 PolarHBondContact O-N 3.3Å; R1034-M1037 HydrophobicContact CB-CB 4.5Å; R1034-M1037 HydrophobicContact CB-CG 3.77Å; R1034-M1037 WeakPolarHBondContact O-CB 3.42Å; R1034-M1037 PolarHBondContact O-N 2.93Å |
| 1035 | Q | 83.4 | Confident | 84.1 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -53.7 | -23.8 | 172.4 | -67.8 | -177.7 | -5.8 | 0 | 0 | 113.6 | I1020 D1032 M1037 A1038 | I1020-Q1035 HydrophobicContact CG2-CG 4.14Å; D1032-Q1035 HydrophobicContact CB-CG 4.49Å; D1032-Q1035 PolarHBondContact OD1-NE2 3.04Å; Q1035-M1037 PolarHBondContact O-N 3.42Å; Q1035-A1038 WeakPolarHBondContact O-CB 3.48Å; Q1035-A1038 PolarHBondContact O-N 3.2Å |
| 1036 | E | 82.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.1 | -24.5 | 174.7 | 75.7 | -80.5 | -171.3 | 0 | 0 | 113.8 | R1034 A1038 I1039 | R1034-E1036 VanDerWaalsContact C-OE2 3.26Å; R1034-E1036 WeakPolarHBondContact CA-OE2 3.41Å; R1034-E1036 IonicContact CZ-OE1 3.43Å; R1034-E1036 IonicContact NH1-OE1 2.63Å; R1034-E1036 PolarHBondContact NH1-OE1 2.85Å; R1034-E1036 PolarHBondContact O-N 3.3Å; E1036-A1038 VanDerWaalsContact C-N 3.26Å; E1036-A1038 PolarHBondContact O-N 3.24Å; E1036-I1039 WeakPolarHBondContact O-CB 3.24Å; E1036-I1039 WeakPolarHBondContact O-CG1 3.44Å; E1036-I1039 PolarHBondContact O-N 2.99Å |
| 1037 | M | 83.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -70.4 | -21.5 | -178.8 | -66 | -62.8 | 160.4 | 0 | 0 | 113 | F495 F952 R1034 Q1035 I1039 F1040 | F495-M1037 HydrophobicContact CE1-CE 4.46Å; F495-M1037 HydrophobicContact CE2-CE 4.47Å; F495-M1037 HydrophobicContact CZ-CE 3.63Å; F952-M1037 HydrophobicContact CE1-CB 4.12Å; F952-M1037 HydrophobicContact CE1-CG 3.89Å; F952-M1037 HydrophobicContact CE1-SD 3.77Å; F952-M1037 HydrophobicContact CZ-CB 4.1Å; F952-M1037 HydrophobicContact CZ-CG 4.19Å; F952-M1037 HydrophobicContact CZ-SD 3.8Å; R1034-M1037 HydrophobicContact CB-CB 4.5Å; R1034-M1037 HydrophobicContact CB-CG 3.77Å; R1034-M1037 WeakPolarHBondContact O-CB 3.42Å; R1034-M1037 PolarHBondContact O-N 2.93Å; Q1035-M1037 PolarHBondContact O-N 3.42Å; M1037-I1039 PolarHBondContact O-N 3.28Å; M1037-I1039 VanDerWaalsContact O-N 3.13Å; M1037-F1040 WeakPolarHBondContact O-CB 3.37Å; M1037-F1040 PolarHBondContact O-N 3.28Å |
| 1038 | A | 84.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -24.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L577 L1016 I1020 Q1035 E1036 F1040 Y1041 V1042 | L577-A1038 HydrophobicContact CD1-CB 3.93Å; L577-A1038 HydrophobicContact CD2-CB 3.96Å; L1016-A1038 HydrophobicContact CD1-CB 3.98Å; I1020-A1038 HydrophobicContact CD1-CB 4.16Å; I1020-A1038 HydrophobicContact CG1-CB 4.28Å; Q1035-A1038 WeakPolarHBondContact O-CB 3.48Å; Q1035-A1038 PolarHBondContact O-N 3.2Å; E1036-A1038 VanDerWaalsContact C-N 3.26Å; E1036-A1038 PolarHBondContact O-N 3.24Å; A1038-F1040 VanDerWaalsContact C-N 3.3Å; A1038-F1040 PolarHBondContact O-N 3.27Å; A1038-Y1041 PolarHBondContact O-N 2.8Å; A1038-V1042 WeakPolarHBondContact O-CG2 3.34Å; A1038-V1042 PolarHBondContact O-N 3.17Å |
| 1039 | I | 85 | Confident | 81.5 | Confident | 114 Ų | 114 | 44.6 Ų | 44.6 | 59% | 0.585 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.6 | -35.2 | 176.6 | -59.6 | 174 | 0 | 0 | 0 | 111.3 | E1036 M1037 Y1041 V1043 | E1036-I1039 WeakPolarHBondContact O-CB 3.24Å; E1036-I1039 WeakPolarHBondContact O-CG1 3.44Å; E1036-I1039 PolarHBondContact O-N 2.99Å; M1037-I1039 PolarHBondContact O-N 3.28Å; M1037-I1039 VanDerWaalsContact O-N 3.13Å; I1039-Y1041 VanDerWaalsContact C-N 3.34Å; I1039-Y1041 PolarHBondContact O-N 2.76Å; I1039-V1043 HydrophobicContact CG2-CG2 4.15Å; I1039-V1043 VanDerWaalsContact O-CB 3.3Å; I1039-V1043 WeakPolarHBondContact O-CB 3.46Å; I1039-V1043 VanDerWaalsContact O-CG2 3.22Å; I1039-V1043 WeakPolarHBondContact O-CG2 3.1Å; I1039-V1043 PolarHBondContact O-N 2.93Å |
| 1040 | F | 85.7 | Confident | 80.4 | Confident | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 176.2 | 175.7 | -97.8 | 0 | 0 | 0 | 110.8 | F944 I947 A948 L951 F952 L1007 M1037 A1038 F1044 | F944-F1040 AromaticContact CD1-CE2 3.95Å; F944-F1040 HydrophobicContact CD1-CE2 3.95Å; F944-F1040 HydrophobicContact CD1-CZ 4.22Å; I947-F1040 HydrophobicContact CG2-CD2 4.4Å; I947-F1040 HydrophobicContact CG2-CE2 3.89Å; A948-F1040 HydrophobicContact CB-CE1 4.33Å; A948-F1040 HydrophobicContact CB-CZ 3.83Å; L951-F1040 HydrophobicContact CD1-CD2 3.97Å; L951-F1040 HydrophobicContact CD1-CE2 4.38Å; F952-F1040 HydrophobicContact CE2-CD1 4.14Å; F952-F1040 HydrophobicContact CE2-CE1 4.4Å; F952-F1040 HydrophobicContact CE2-CG 4.48Å; L1007-F1040 HydrophobicContact CD2-CE1 3.9Å; L1007-F1040 HydrophobicContact CD2-CZ 4.05Å; M1037-F1040 WeakPolarHBondContact O-CB 3.37Å; M1037-F1040 PolarHBondContact O-N 3.28Å; A1038-F1040 VanDerWaalsContact C-N 3.3Å; A1038-F1040 PolarHBondContact O-N 3.27Å; F1040-F1044 WeakPolarHBondContact O-CB 3.32Å; F1040-F1044 PolarHBondContact O-N 2.9Å |
| 1041 | Y | 85 | Confident | 79.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -52.4 | 178.6 | -74.5 | -95.5 | 0 | 0 | 0 | 112.1 | F952 Y997 V1010 L1016 S1019 A1038 I1039 V1043 F1044 F1045 | F952-Y1041 HydrophobicContact CZ-CE2 4.41Å; Y997-Y1041 WeakPolarHBondContact CE2-OH 3.29Å; Y997-Y1041 PolarHBondContact OH-OH 3.47Å; V1010-Y1041 HydrophobicContact CB-CE1 4.25Å; V1010-Y1041 HydrophobicContact CG1-CD1 3.54Å; V1010-Y1041 HydrophobicContact CG1-CE1 3.43Å; V1010-Y1041 VanDerWaalsContact CG1-CE1 3.43Å; V1010-Y1041 HydrophobicContact CG2-CE1 3.68Å; L1016-Y1041 HydrophobicContact CB-CD1 4.36Å; L1016-Y1041 HydrophobicContact CD1-CD1 4.32Å; L1016-Y1041 HydrophobicContact CD1-CD2 3.9Å; L1016-Y1041 HydrophobicContact CD1-CG 3.74Å; S1019-Y1041 WeakPolarHBondContact OG-CE2 3.34Å; S1019-Y1041 VanDerWaalsContact OG-CZ 3.27Å; S1019-Y1041 PolarHBondContact OG-OH 3.13Å; A1038-Y1041 PolarHBondContact O-N 2.8Å; I1039-Y1041 VanDerWaalsContact C-N 3.34Å; I1039-Y1041 PolarHBondContact O-N 2.76Å; Y1041-V1043 VanDerWaalsContact C-N 3.27Å; Y1041-V1043 PolarHBondContact O-N 3.37Å; Y1041-F1044 CarbonylContact O-C 3.59Å; Y1041-F1044 WeakPolarHBondContact O-CA 3.02Å; Y1041-F1044 WeakPolarHBondContact O-CB 3.49Å; Y1041-F1044 PolarHBondContact O-N 3.23Å; Y1041-F1045 HydrophobicContact CD1-CE2 4.2Å; Y1041-F1045 WeakPolarHBondContact O-CD2 3.41Å; Y1041-F1045 PolarHBondContact O-N 2.8Å |
| 1042 | V | 80 | Confident | 78.9 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L577 F580 A1038 I1046 | L577-V1042 HydrophobicContact CD2-CG2 4.17Å; F580-V1042 HydrophobicContact CD1-CG2 4.36Å; F580-V1042 HydrophobicContact CE1-CG2 4.25Å; F580-V1042 HydrophobicContact CE2-CG1 4.3Å; F580-V1042 HydrophobicContact CZ-CG1 4.46Å; F580-V1042 HydrophobicContact CZ-CG2 4.43Å; A1038-V1042 WeakPolarHBondContact O-CG2 3.34Å; A1038-V1042 PolarHBondContact O-N 3.17Å; V1042-I1046 HydrophobicContact CG1-CD1 3.85Å; V1042-I1046 WeakPolarHBondContact O-CB 3.44Å; V1042-I1046 VanDerWaalsContact O-CG1 3.24Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.24Å; V1042-I1046 PolarHBondContact O-N 3.38Å; V1042-I1046 VanDerWaalsContact O-N 3.09Å |
| 1043 | V | 80.9 | Confident | 78.2 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.2 | -38 | 173.2 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | I1039 Y1041 V1047 | I1039-V1043 HydrophobicContact CG2-CG2 4.15Å; I1039-V1043 VanDerWaalsContact O-CB 3.3Å; I1039-V1043 WeakPolarHBondContact O-CB 3.46Å; I1039-V1043 VanDerWaalsContact O-CG2 3.22Å; I1039-V1043 WeakPolarHBondContact O-CG2 3.1Å; I1039-V1043 PolarHBondContact O-N 2.93Å; Y1041-V1043 VanDerWaalsContact C-N 3.27Å; Y1041-V1043 PolarHBondContact O-N 3.37Å; V1043-V1047 HydrophobicContact CG1-CG2 4.11Å; V1043-V1047 VanDerWaalsContact O-CB 3.25Å; V1043-V1047 WeakPolarHBondContact O-CB 3.49Å; V1043-V1047 VanDerWaalsContact O-CG2 3.26Å; V1043-V1047 WeakPolarHBondContact O-CG2 3.38Å; V1043-V1047 PolarHBondContact O-N 2.61Å |
| 1044 | F | 83.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -53.3 | 176.2 | -172.7 | -106.2 | 0 | 0 | 0 | 111.9 | F944 L1007 V1010 T1011 F1040 Y1041 I1046 V1047 F1048 | F944-F1044 HydrophobicContact CB-CD2 4.4Å; F944-F1044 HydrophobicContact CB-CE2 4.27Å; F944-F1044 AromaticContact CD1-CD2 3.97Å; F944-F1044 HydrophobicContact CD1-CD2 3.97Å; F944-F1044 HydrophobicContact CD2-CD2 4.23Å; F944-F1044 HydrophobicContact CD2-CE2 4.36Å; F944-F1044 HydrophobicContact CE1-CD2 4.26Å; F944-F1044 AromaticContact CG-CD2 3.96Å; F944-F1044 HydrophobicContact CG-CD2 3.96Å; F944-F1044 HydrophobicContact CG-CE2 4.2Å; L1007-F1044 HydrophobicContact CB-CZ 4.14Å; L1007-F1044 HydrophobicContact CD2-CD2 4.4Å; L1007-F1044 HydrophobicContact CD2-CE1 4.24Å; L1007-F1044 HydrophobicContact CD2-CE2 4.13Å; L1007-F1044 HydrophobicContact CD2-CZ 4.04Å; L1007-F1044 WeakPolarHBondContact O-CE1 3.17Å; V1010-F1044 HydrophobicContact CG1-CD1 3.91Å; V1010-F1044 HydrophobicContact CG1-CE1 4.08Å; T1011-F1044 HydrophobicContact CG2-CE1 3.61Å; T1011-F1044 HydrophobicContact CG2-CZ 3.61Å; F1040-F1044 WeakPolarHBondContact O-CB 3.32Å; F1040-F1044 PolarHBondContact O-N 2.9Å; Y1041-F1044 CarbonylContact O-C 3.59Å; Y1041-F1044 WeakPolarHBondContact O-CA 3.02Å; Y1041-F1044 WeakPolarHBondContact O-CB 3.49Å; Y1041-F1044 PolarHBondContact O-N 3.23Å; F1044-I1046 PolarHBondContact O-N 3Å; F1044-V1047 PolarHBondContact O-N 3.28Å; F1044-F1048 HydrophobicContact CD2-CB 4.22Å; F1044-F1048 HydrophobicContact CD2-CD2 4.33Å; F1044-F1048 HydrophobicContact CE2-CB 4.18Å; F1044-F1048 AromaticContact CE2-CD2 3.59Å; F1044-F1048 HydrophobicContact CE2-CD2 3.59Å; F1044-F1048 HydrophobicContact CE2-CE2 4.05Å; F1044-F1048 AromaticContact CE2-CG 3.98Å; F1044-F1048 HydrophobicContact CE2-CG 3.98Å; F1044-F1048 HydrophobicContact CZ-CB 4.46Å; F1044-F1048 HydrophobicContact CZ-CD1 4.42Å; F1044-F1048 AromaticContact CZ-CD2 3.94Å; F1044-F1048 HydrophobicContact CZ-CD2 3.94Å; F1044-F1048 HydrophobicContact CZ-CE2 4.15Å; F1044-F1048 HydrophobicContact CZ-CG 4.06Å; F1044-F1048 HydrophobicContact CZ-CZ 4.46Å; F1044-F1048 WeakPolarHBondContact O-CB 3.5Å; F1044-F1048 PolarHBondContact O-N 2.82Å |
| 1045 | F | 77.2 | Confident | 76.7 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -32.2 | 176.2 | -73.8 | -63.4 | 0 | 0 | 0 | 114.2 | F580 V1010 G1013 Y1041 P1049 | F580-F1045 HydrophobicContact CE1-CB 4.2Å; F580-F1045 AromaticContact CE1-CD2 3.85Å; F580-F1045 HydrophobicContact CE1-CD2 3.85Å; F580-F1045 HydrophobicContact CE1-CG 4.19Å; F580-F1045 HydrophobicContact CZ-CB 3.72Å; F580-F1045 HydrophobicContact CZ-CD2 4.22Å; F580-F1045 HydrophobicContact CZ-CG 4.21Å; V1010-F1045 HydrophobicContact CG1-CZ 4.25Å; V1010-F1045 WeakPolarHBondContact O-CE1 3.22Å; V1010-F1045 WeakPolarHBondContact O-CZ 3.24Å; G1013-F1045 WeakPolarHBondContact O-CZ 3.44Å; Y1041-F1045 HydrophobicContact CD1-CE2 4.2Å; Y1041-F1045 WeakPolarHBondContact O-CD2 3.41Å; Y1041-F1045 PolarHBondContact O-N 2.8Å; F1045-P1049 WeakPolarHBondContact O-CD 3.28Å; F1045-P1049 VanDerWaalsContact O-CG 3.24Å; F1045-P1049 WeakPolarHBondContact O-CG 3.43Å |
| 1046 | I | 74.7 | Confident | 76.1 | Confident | 40 Ų | 40 | 29.2 Ų | 29.2 | 21% | 0.205 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.6 | -61.8 | 173.4 | -70.3 | 173.5 | 0 | 0 | 0 | 109.3 | L536 V1042 F1044 F1048 F1050 | L536-I1046 HydrophobicContact CD1-CG2 3.89Å; L536-I1046 HydrophobicContact CD2-CG2 3.73Å; L536-I1046 HydrophobicContact CG-CG2 4.49Å; V1042-I1046 HydrophobicContact CG1-CD1 3.85Å; V1042-I1046 WeakPolarHBondContact O-CB 3.44Å; V1042-I1046 VanDerWaalsContact O-CG1 3.24Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.24Å; V1042-I1046 PolarHBondContact O-N 3.38Å; V1042-I1046 VanDerWaalsContact O-N 3.09Å; F1044-I1046 PolarHBondContact O-N 3Å; I1046-F1048 PolarHBondContact O-N 3.1Å; I1046-F1050 HydrophobicContact CB-CD2 4.41Å; I1046-F1050 HydrophobicContact CG2-CD2 3.87Å; I1046-F1050 HydrophobicContact CG2-CE2 4.16Å; I1046-F1050 VanDerWaalsContact O-CB 3.26Å; I1046-F1050 WeakPolarHBondContact O-CB 3.29Å; I1046-F1050 WeakPolarHBondContact O-CD2 3.3Å; I1046-F1050 WeakPolarHBondContact O-CG 3.22Å; I1046-F1050 PolarHBondContact O-N 2.75Å |
| 1047 | V | 71.9 | Confident | 75.6 | Confident | 64 Ų | 64 | 25.5 Ų | 25.5 | 39% | 0.388 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67.2 | -36.4 | -167.9 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | V1043 F1044 F1051 | V1043-V1047 HydrophobicContact CG1-CG2 4.11Å; V1043-V1047 VanDerWaalsContact O-CB 3.25Å; V1043-V1047 WeakPolarHBondContact O-CB 3.49Å; V1043-V1047 VanDerWaalsContact O-CG2 3.26Å; V1043-V1047 WeakPolarHBondContact O-CG2 3.38Å; V1043-V1047 PolarHBondContact O-N 2.61Å; F1044-V1047 PolarHBondContact O-N 3.28Å; V1047-F1051 WeakPolarHBondContact O-CB 3.37Å; V1047-F1051 PolarHBondContact O-N 3.18Å; V1047-F1051 VanDerWaalsContact O-N 3.16Å |
| 1048 | F | 73.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -80.3 | -57.1 | -168.5 | -170.3 | -79.9 | 0 | 0 | 0 | 112.6 | Y937 Q941 T1011 F1044 I1046 F1051 F1052 L2129 | Y937-F1048 HydrophobicContact CD2-CE1 4.17Å; Y937-F1048 HydrophobicContact CD2-CE2 4.46Å; Y937-F1048 AromaticContact CD2-CZ 3.72Å; Y937-F1048 HydrophobicContact CD2-CZ 3.72Å; Y937-F1048 HydrophobicContact CE1-CZ 4.35Å; Y937-F1048 AromaticContact CE2-CE1 3.46Å; Y937-F1048 HydrophobicContact CE2-CE1 3.46Å; Y937-F1048 VanDerWaalsContact CE2-CE1 3.46Å; Y937-F1048 HydrophobicContact CE2-CE2 4.3Å; Y937-F1048 AromaticContact CE2-CZ 3.2Å; Y937-F1048 HydrophobicContact CE2-CZ 3.2Å; Y937-F1048 HydrophobicContact CG-CZ 4.48Å; Y937-F1048 AromaticContact CZ-CZ 3.56Å; Q941-F1048 HydrophobicContact CB-CE2 4.47Å; T1011-F1048 HydrophobicContact CG2-CD1 3.75Å; T1011-F1048 HydrophobicContact CG2-CE1 3.3Å; T1011-F1048 HydrophobicContact CG2-CZ 3.79Å; F1044-F1048 HydrophobicContact CD2-CB 4.22Å; F1044-F1048 HydrophobicContact CD2-CD2 4.33Å; F1044-F1048 HydrophobicContact CE2-CB 4.18Å; F1044-F1048 AromaticContact CE2-CD2 3.59Å; F1044-F1048 HydrophobicContact CE2-CD2 3.59Å; F1044-F1048 HydrophobicContact CE2-CE2 4.05Å; F1044-F1048 AromaticContact CE2-CG 3.98Å; F1044-F1048 HydrophobicContact CE2-CG 3.98Å; F1044-F1048 HydrophobicContact CZ-CB 4.46Å; F1044-F1048 HydrophobicContact CZ-CD1 4.42Å; F1044-F1048 AromaticContact CZ-CD2 3.94Å; F1044-F1048 HydrophobicContact CZ-CD2 3.94Å; F1044-F1048 HydrophobicContact CZ-CE2 4.15Å; F1044-F1048 HydrophobicContact CZ-CG 4.06Å; F1044-F1048 HydrophobicContact CZ-CZ 4.46Å; F1044-F1048 WeakPolarHBondContact O-CB 3.5Å; F1044-F1048 PolarHBondContact O-N 2.82Å; I1046-F1048 PolarHBondContact O-N 3.1Å; F1048-F1051 PolarHBondContact O-N 2.77Å; F1048-F1052 HydrophobicContact CD1-CD2 4.13Å; F1048-F1052 AromaticContact CD2-CD2 3.8Å; F1048-F1052 HydrophobicContact CD2-CD2 3.8Å; F1048-F1052 AromaticContact CD2-CE2 3.77Å; F1048-F1052 HydrophobicContact CD2-CE2 3.77Å; F1048-F1052 HydrophobicContact CE1-CD2 4.19Å; F1048-F1052 AromaticContact CE2-CD2 3.88Å; F1048-F1052 HydrophobicContact CE2-CD2 3.88Å; F1048-F1052 AromaticContact CE2-CE2 3.79Å; F1048-F1052 HydrophobicContact CE2-CE2 3.79Å; F1048-F1052 AromaticContact CG-CD2 3.95Å; F1048-F1052 HydrophobicContact CG-CD2 3.95Å; F1048-F1052 HydrophobicContact CG-CE2 4.36Å; F1048-F1052 HydrophobicContact CZ-CD2 4.1Å; F1048-F1052 HydrophobicContact CZ-CE2 4.39Å; F1048-F1052 PolarHBondContact O-N 3.12Å; F1048-L2129 HydrophobicContact CD1-CD1 4.49Å; F1048-L2129 HydrophobicContact CE1-CD2 4.36Å |
| 1049 | P | 66.7 | Low | 74.2 | Confident | 25 Ų | 25 | 26.9 Ų | 26.9 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.8 | -50.2 | 166.9 | -28.4 | 33.3 | 0 | 0 | 0 | 114.9 | F1045 F1051 V1053 L2129 | F1045-P1049 WeakPolarHBondContact O-CD 3.28Å; F1045-P1049 VanDerWaalsContact O-CG 3.24Å; F1045-P1049 WeakPolarHBondContact O-CG 3.43Å; P1049-F1051 PolarHBondContact O-N 3.35Å; P1049-F1051 VanDerWaalsContact O-N 3.17Å; P1049-V1053 PolarHBondContact O-N 3.37Å; P1049-L2129 HydrophobicContact CB-CD1 3.92Å; P1049-L2129 HydrophobicContact CG-CB 4.27Å; P1049-L2129 HydrophobicContact CG-CD1 3.88Å |
| 1050 | F | 66.6 | Low | 73.4 | Confident | 29 Ų | 29 | 21.4 Ų | 21.4 | 13% | 0.127 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -15.9 | -178.9 | -71.3 | -52.4 | 0 | 0 | 0 | 113.6 | L536 L624 V627 F628 I631 I1046 N1054 | L536-F1050 HydrophobicContact CD2-CD2 4.26Å; L536-F1050 HydrophobicContact CD2-CE2 3.86Å; L624-F1050 HydrophobicContact CD2-CZ 4.15Å; V627-F1050 HydrophobicContact CG1-CE1 4.14Å; V627-F1050 HydrophobicContact CG1-CZ 4.19Å; F628-F1050 HydrophobicContact CB-CE1 4.29Å; F628-F1050 HydrophobicContact CD2-CD1 4.15Å; F628-F1050 HydrophobicContact CD2-CE1 4.45Å; I631-F1050 HydrophobicContact CD1-CD1 4.43Å; I1046-F1050 HydrophobicContact CB-CD2 4.41Å; I1046-F1050 HydrophobicContact CG2-CD2 3.87Å; I1046-F1050 HydrophobicContact CG2-CE2 4.16Å; I1046-F1050 VanDerWaalsContact O-CB 3.26Å; I1046-F1050 WeakPolarHBondContact O-CB 3.29Å; I1046-F1050 WeakPolarHBondContact O-CD2 3.3Å; I1046-F1050 WeakPolarHBondContact O-CG 3.22Å; I1046-F1050 PolarHBondContact O-N 2.75Å; F1050-N1054 WeakPolarHBondContact O-CB 3.48Å; F1050-N1054 PolarHBondContact O-ND2 3.4Å |
| 1051 | F | 66.6 | Low | 72.7 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -93.8 | -58.7 | 174.2 | 178.9 | -130.4 | 0 | 0 | 0 | 112.5 | L521 L525 V936 F940 V1047 F1048 P1049 I1055 | L521-F1051 HydrophobicContact CD1-CZ 4.12Å; L521-F1051 HydrophobicContact CD2-CE2 4.19Å; L521-F1051 HydrophobicContact CD2-CZ 3.68Å; L521-F1051 HydrophobicContact CG-CE2 4.38Å; L521-F1051 HydrophobicContact CG-CZ 4.11Å; L525-F1051 HydrophobicContact CD1-CD2 4Å; L525-F1051 HydrophobicContact CD1-CE2 3.5Å; L525-F1051 HydrophobicContact CD1-CZ 3.93Å; L525-F1051 HydrophobicContact CD2-CD2 3.6Å; L525-F1051 HydrophobicContact CD2-CE2 3.78Å; L525-F1051 HydrophobicContact CG-CD2 4.05Å; L525-F1051 HydrophobicContact CG-CE2 3.68Å; V936-F1051 HydrophobicContact CG1-CE1 4.31Å; V936-F1051 HydrophobicContact CG1-CZ 4.49Å; F940-F1051 HydrophobicContact CD2-CE1 4.17Å; F940-F1051 AromaticContact CE2-CE1 3.86Å; F940-F1051 HydrophobicContact CE2-CE1 3.86Å; F940-F1051 HydrophobicContact CE2-CZ 4.47Å; F940-F1051 HydrophobicContact CZ-CE1 4.22Å; V1047-F1051 WeakPolarHBondContact O-CB 3.37Å; V1047-F1051 PolarHBondContact O-N 3.18Å; V1047-F1051 VanDerWaalsContact O-N 3.16Å; F1048-F1051 PolarHBondContact O-N 2.77Å; P1049-F1051 PolarHBondContact O-N 3.35Å; P1049-F1051 VanDerWaalsContact O-N 3.17Å; F1051-I1055 HydrophobicContact CD2-CD1 3.92Å; F1051-I1055 HydrophobicContact CD2-CG1 4.45Å; F1051-I1055 HydrophobicContact CE2-CD1 3.26Å; F1051-I1055 HydrophobicContact CE2-CG1 4.24Å; F1051-I1055 HydrophobicContact CZ-CD1 3.85Å; F1051-I1055 PolarHBondContact O-N 3.32Å |
| 1052 | F | 70.9 | Confident | 71.9 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.7 | -46.8 | -167.2 | -76 | -63.6 | 0 | 0 | 0 | 113.2 | I933 V936 Y937 F940 F1048 N1054 I1055 F1056 | I933-F1052 HydrophobicContact CG2-CD1 4.2Å; V936-F1052 HydrophobicContact CB-CE1 4.48Å; V936-F1052 HydrophobicContact CG1-CE1 4.18Å; V936-F1052 HydrophobicContact CG1-CZ 4.46Å; Y937-F1052 VanDerWaalsContact CA-CE1 3.41Å; Y937-F1052 VanDerWaalsContact CA-CZ 3.44Å; Y937-F1052 HydrophobicContact CD2-CB 4.29Å; Y937-F1052 HydrophobicContact CD2-CD1 4.09Å; Y937-F1052 HydrophobicContact CD2-CD2 4.01Å; Y937-F1052 HydrophobicContact CD2-CE2 4.42Å; Y937-F1052 AromaticContact CD2-CG 3.84Å; Y937-F1052 HydrophobicContact CD2-CG 3.84Å; F940-F1052 HydrophobicContact CB-CE2 3.88Å; F940-F1052 HydrophobicContact CB-CZ 3.74Å; F940-F1052 AromaticContact CD2-CZ 3.8Å; F940-F1052 HydrophobicContact CD2-CZ 3.8Å; F940-F1052 HydrophobicContact CG-CE2 4.27Å; F940-F1052 AromaticContact CG-CZ 3.91Å; F940-F1052 HydrophobicContact CG-CZ 3.91Å; F1048-F1052 HydrophobicContact CD1-CD2 4.13Å; F1048-F1052 AromaticContact CD2-CD2 3.8Å; F1048-F1052 HydrophobicContact CD2-CD2 3.8Å; F1048-F1052 AromaticContact CD2-CE2 3.77Å; F1048-F1052 HydrophobicContact CD2-CE2 3.77Å; F1048-F1052 HydrophobicContact CE1-CD2 4.19Å; F1048-F1052 AromaticContact CE2-CD2 3.88Å; F1048-F1052 HydrophobicContact CE2-CD2 3.88Å; F1048-F1052 AromaticContact CE2-CE2 3.79Å; F1048-F1052 HydrophobicContact CE2-CE2 3.79Å; F1048-F1052 AromaticContact CG-CD2 3.95Å; F1048-F1052 HydrophobicContact CG-CD2 3.95Å; F1048-F1052 HydrophobicContact CG-CE2 4.36Å; F1048-F1052 HydrophobicContact CZ-CD2 4.1Å; F1048-F1052 HydrophobicContact CZ-CE2 4.39Å; F1048-F1052 PolarHBondContact O-N 3.12Å; F1052-N1054 VanDerWaalsContact C-N 3.33Å; F1052-N1054 PolarHBondContact O-N 3.44Å; F1052-I1055 PolarHBondContact O-N 2.84Å; F1052-I1055 VanDerWaalsContact O-N 3.16Å; F1052-F1056 HydrophobicContact CB-CD2 4.32Å; F1052-F1056 HydrophobicContact CB-CE2 4.07Å; F1052-F1056 WeakPolarHBondContact O-CD2 3.39Å; F1052-F1056 PolarHBondContact O-N 2.86Å |
| 1053 | V | 69 | Low | 71.4 | Confident | 18 Ų | 18 | 21 Ų | 21 | 11% | 0.109 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 179.1 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | F628 P1049 I1055 F1056 V1057 L1358 L2129 | F628-V1053 HydrophobicContact CE2-CB 4.02Å; F628-V1053 HydrophobicContact CE2-CG1 4.11Å; F628-V1053 HydrophobicContact CZ-CB 4.14Å; F628-V1053 HydrophobicContact CZ-CG1 3.75Å; P1049-V1053 PolarHBondContact O-N 3.37Å; V1053-I1055 VanDerWaalsContact C-N 3.26Å; V1053-I1055 PolarHBondContact O-N 3.22Å; V1053-F1056 PolarHBondContact O-N 3.32Å; V1053-V1057 HydrophobicContact CG1-CG2 3.91Å; V1053-V1057 WeakPolarHBondContact O-CB 3.36Å; V1053-V1057 WeakPolarHBondContact O-CG2 3.33Å; V1053-V1057 PolarHBondContact O-N 3.12Å; V1053-L1358 HydrophobicContact CG1-CD1 4.03Å; V1053-L2129 HydrophobicContact CG2-CD1 3.35Å; V1053-L2129 HydrophobicContact CG2-CG 4.37Å |
| 1054 | N | 67.3 | Low | 70.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55 | -35.8 | 176.8 | -83.3 | -35.1 | 0 | 0 | 0 | 114.2 | F628 I631 A632 F1050 F1052 A1058 | F628-N1054 WeakPolarHBondContact CE2-OD1 3.27Å; F628-N1054 VanDerWaalsContact CZ-OD1 3.3Å; F628-N1054 WeakPolarHBondContact CZ-OD1 3.42Å; F628-N1054 PolarHBondContact O-OD1 2.92Å; I631-N1054 WeakPolarHBondContact CG2-ND2 3.24Å; A632-N1054 VanDerWaalsContact CA-OD1 3.32Å; A632-N1054 WeakPolarHBondContact CA-OD1 3.44Å; A632-N1054 WeakPolarHBondContact CB-OD1 3.48Å; A632-N1054 PolarHBondContact N-OD1 3.03Å; F1050-N1054 WeakPolarHBondContact O-CB 3.48Å; F1050-N1054 PolarHBondContact O-ND2 3.4Å; F1052-N1054 VanDerWaalsContact C-N 3.33Å; F1052-N1054 PolarHBondContact O-N 3.44Å; N1054-A1058 VanDerWaalsContact O-CB 3.23Å; N1054-A1058 WeakPolarHBondContact O-CB 3.09Å; N1054-A1058 PolarHBondContact O-N 2.94Å |
| 1055 | I | 71.9 | Confident | 70 | Confident | 30 Ų | 30 | 21 Ų | 21 | 15% | 0.154 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -79.4 | -41.3 | 176.7 | -75.9 | -168.7 | 0 | 0 | 0 | 112.8 | L521 I933 F1051 F1052 V1053 V1057 A1058 L1059 | L521-I1055 HydrophobicContact CD1-CD1 4Å; L521-I1055 HydrophobicContact CG-CD1 4.17Å; I933-I1055 HydrophobicContact CB-CG2 4.49Å; I933-I1055 HydrophobicContact CD1-CG2 3.61Å; I933-I1055 HydrophobicContact CG1-CG2 3.73Å; I933-I1055 HydrophobicContact CG2-CG2 3.87Å; F1051-I1055 HydrophobicContact CD2-CD1 3.92Å; F1051-I1055 HydrophobicContact CD2-CG1 4.45Å; F1051-I1055 HydrophobicContact CE2-CD1 3.26Å; F1051-I1055 HydrophobicContact CE2-CG1 4.24Å; F1051-I1055 HydrophobicContact CZ-CD1 3.85Å; F1051-I1055 PolarHBondContact O-N 3.32Å; F1052-I1055 PolarHBondContact O-N 2.84Å; F1052-I1055 VanDerWaalsContact O-N 3.16Å; V1053-I1055 VanDerWaalsContact C-N 3.26Å; V1053-I1055 PolarHBondContact O-N 3.22Å; I1055-V1057 VanDerWaalsContact C-N 3.32Å; I1055-V1057 PolarHBondContact O-N 3.37Å; I1055-A1058 PolarHBondContact O-N 3.2Å; I1055-L1059 PolarHBondContact O-N 3.21Å |
| 1056 | F | 71.4 | Confident | 69.5 | Low | 25 Ų | 25 | 23.6 Ų | 23.6 | 11% | 0.11 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 173.7 | -72.7 | -59.3 | 0 | 0 | 0 | 110.4 | V930 I933 Y937 F1052 V1053 L1059 I1060 | V930-F1056 HydrophobicContact CB-CE1 4.47Å; V930-F1056 HydrophobicContact CG1-CD1 4.06Å; V930-F1056 HydrophobicContact CG1-CE1 3.77Å; V930-F1056 HydrophobicContact CG2-CD1 4.36Å; I933-F1056 HydrophobicContact CB-CD1 4.12Å; I933-F1056 HydrophobicContact CB-CE1 3.59Å; I933-F1056 HydrophobicContact CB-CZ 4.18Å; I933-F1056 HydrophobicContact CD1-CD1 3.63Å; I933-F1056 HydrophobicContact CD1-CE1 4.01Å; I933-F1056 HydrophobicContact CD1-CG 4.44Å; I933-F1056 HydrophobicContact CG1-CE1 4.44Å; I933-F1056 HydrophobicContact CG2-CD1 3.97Å; I933-F1056 HydrophobicContact CG2-CE1 3.48Å; I933-F1056 VanDerWaalsContact CG2-CE1 3.48Å; I933-F1056 HydrophobicContact CG2-CE2 4.24Å; I933-F1056 HydrophobicContact CG2-CZ 3.64Å; Y937-F1056 HydrophobicContact CD2-CE2 4.41Å; F1052-F1056 HydrophobicContact CB-CD2 4.32Å; F1052-F1056 HydrophobicContact CB-CE2 4.07Å; F1052-F1056 WeakPolarHBondContact O-CD2 3.39Å; F1052-F1056 PolarHBondContact O-N 2.86Å; V1053-F1056 PolarHBondContact O-N 3.32Å; F1056-L1059 PolarHBondContact O-N 2.84Å; F1056-I1060 HydrophobicContact CB-CD1 4.43Å; F1056-I1060 WeakPolarHBondContact O-CB 3.35Å; F1056-I1060 WeakPolarHBondContact O-CD1 3.43Å; F1056-I1060 WeakPolarHBondContact O-CG1 3.15Å; F1056-I1060 PolarHBondContact O-N 3.33Å |
| 1057 | V | 70.3 | Confident | 69.1 | Low | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.1 | -52.3 | 175.1 | 161.8 | 0 | 0 | 0 | 0 | 111.8 | V1053 I1055 L1059 I1060 I1061 L1358 F2125 | V1053-V1057 HydrophobicContact CG1-CG2 3.91Å; V1053-V1057 WeakPolarHBondContact O-CB 3.36Å; V1053-V1057 WeakPolarHBondContact O-CG2 3.33Å; V1053-V1057 PolarHBondContact O-N 3.12Å; I1055-V1057 VanDerWaalsContact C-N 3.32Å; I1055-V1057 PolarHBondContact O-N 3.37Å; V1057-L1059 PolarHBondContact O-N 3.49Å; V1057-I1060 PolarHBondContact O-N 3.42Å; V1057-I1061 HydrophobicContact CG1-CD1 3.76Å; V1057-I1061 WeakPolarHBondContact O-CB 3.37Å; V1057-I1061 VanDerWaalsContact O-CG1 3.26Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.29Å; V1057-I1061 PolarHBondContact O-N 3.26Å; V1057-L1358 HydrophobicContact CG2-CD1 4Å; V1057-L1358 HydrophobicContact CG2-CD2 4.07Å; V1057-L1358 HydrophobicContact CG2-CG 4.42Å; V1057-F2125 HydrophobicContact CB-CE1 3.92Å; V1057-F2125 HydrophobicContact CB-CZ 4.11Å; V1057-F2125 HydrophobicContact CG1-CE1 3.45Å; V1057-F2125 VanDerWaalsContact CG1-CE1 3.45Å; V1057-F2125 HydrophobicContact CG1-CZ 3.61Å; V1057-F2125 HydrophobicContact CG2-CD1 4.29Å; V1057-F2125 HydrophobicContact CG2-CE1 3.23Å; V1057-F2125 HydrophobicContact CG2-CZ 3.65Å |
| 1058 | A | 68.8 | Low | 68.6 | Low | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L636 N1054 I1055 I1062 | L636-A1058 HydrophobicContact CB-CB 4.05Å; L636-A1058 HydrophobicContact CD1-CB 4.26Å; N1054-A1058 VanDerWaalsContact O-CB 3.23Å; N1054-A1058 WeakPolarHBondContact O-CB 3.09Å; N1054-A1058 PolarHBondContact O-N 2.94Å; I1055-A1058 PolarHBondContact O-N 3.2Å; A1058-I1062 WeakPolarHBondContact O-CB 3.44Å; A1058-I1062 VanDerWaalsContact O-CG1 3.26Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.28Å; A1058-I1062 PolarHBondContact O-N 3.3Å |
| 1059 | L | 70.1 | Confident | 68.2 | Low | 45 Ų | 45 | 25.9 Ų | 25.9 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.3 | -35.2 | 179.1 | -68.7 | -152.6 | 0 | 0 | 0 | 113.1 | N929 I933 I1055 F1056 V1057 I1062 T1063 | N929-L1059 HydrophobicContact CB-CD1 4.08Å; I933-L1059 HydrophobicContact CD1-CB 4.14Å; I933-L1059 HydrophobicContact CD1-CD1 3.51Å; I933-L1059 HydrophobicContact CD1-CG 3.84Å; I933-L1059 HydrophobicContact CG1-CD1 3.96Å; I1055-L1059 PolarHBondContact O-N 3.21Å; F1056-L1059 PolarHBondContact O-N 2.84Å; V1057-L1059 PolarHBondContact O-N 3.49Å; L1059-I1062 HydrophobicContact CD2-CD1 4.16Å; L1059-I1062 PolarHBondContact O-N 2.89Å; L1059-T1063 WeakPolarHBondContact O-CG2 3.32Å; L1059-T1063 PolarHBondContact O-N 3.47Å; L1059-T1063 PolarHBondContact O-OG1 3.49Å |
| 1060 | I | 69.9 | Low | 68 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 177.6 | -66.1 | 161.3 | 0 | 0 | 0 | 109.4 | V930 F1056 V1057 I1062 T1063 F1064 F1355 L1358 N1359 V1362 | V930-I1060 HydrophobicContact CG2-CG1 4.44Å; F1056-I1060 HydrophobicContact CB-CD1 4.43Å; F1056-I1060 WeakPolarHBondContact O-CB 3.35Å; F1056-I1060 WeakPolarHBondContact O-CD1 3.43Å; F1056-I1060 WeakPolarHBondContact O-CG1 3.15Å; F1056-I1060 PolarHBondContact O-N 3.33Å; V1057-I1060 PolarHBondContact O-N 3.42Å; I1060-I1062 PolarHBondContact O-N 2.68Å; I1060-T1063 WeakPolarHBondContact CA-OG1 3.35Å; I1060-T1063 PolarHBondContact O-N 3.26Å; I1060-T1063 VanDerWaalsContact O-N 3.12Å; I1060-T1063 PolarHBondContact O-OG1 2.94Å; I1060-F1064 HydrophobicContact CG2-CD2 3.73Å; I1060-F1064 HydrophobicContact CG2-CE2 3.7Å; I1060-F1064 WeakPolarHBondContact O-CD2 3.33Å; I1060-F1064 PolarHBondContact O-N 3.15Å; I1060-F1355 HydrophobicContact CD1-CD2 4.33Å; I1060-F1355 HydrophobicContact CD1-CE2 3.94Å; I1060-L1358 HydrophobicContact CD1-CD2 3.44Å; I1060-L1358 VanDerWaalsContact CD1-CD2 3.44Å; I1060-N1359 VanDerWaalsContact CG2-OD1 3.29Å; I1060-N1359 WeakPolarHBondContact CG2-OD1 3.04Å; I1060-V1362 HydrophobicContact CB-CG2 4.14Å; I1060-V1362 HydrophobicContact CG2-CB 3.81Å; I1060-V1362 HydrophobicContact CG2-CG1 4.03Å; I1060-V1362 HydrophobicContact CG2-CG2 3.62Å |
| 1061 | I | 69.6 | Low | 67.4 | Low | 28 Ų | 28 | 36.4 Ų | 36.4 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -49.4 | 171.4 | -69.1 | 167.3 | 0 | 0 | 0 | 110.7 | L636 V1057 T1063 F1064 Q1065 V1362 | L636-I1061 HydrophobicContact CD1-CB 4.29Å; L636-I1061 HydrophobicContact CD1-CG2 3.98Å; L636-I1061 HydrophobicContact CD2-CD1 4.39Å; L636-I1061 HydrophobicContact CD2-CG2 3.89Å; V1057-I1061 HydrophobicContact CG1-CD1 3.76Å; V1057-I1061 WeakPolarHBondContact O-CB 3.37Å; V1057-I1061 VanDerWaalsContact O-CG1 3.26Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.29Å; V1057-I1061 PolarHBondContact O-N 3.26Å; I1061-T1063 VanDerWaalsContact C-N 3.31Å; I1061-T1063 PolarHBondContact O-N 2.92Å; I1061-F1064 PolarHBondContact O-N 3.42Å; I1061-Q1065 HydrophobicContact CG2-CG 4.23Å; I1061-Q1065 WeakPolarHBondContact O-CB 3.21Å; I1061-Q1065 WeakPolarHBondContact O-CG 3.48Å; I1061-Q1065 PolarHBondContact O-N 2.84Å; I1061-V1362 HydrophobicContact CB-CG1 4.48Å; I1061-V1362 HydrophobicContact CG1-CG1 3.75Å; I1061-V1362 HydrophobicContact CG1-CG2 3.95Å |
| 1062 | I | 68.8 | Low | 67 | Low | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 175.5 | -71.1 | 164.9 | 0 | 0 | 0 | 111.6 | L636 A639 A1058 L1059 I1060 Q1065 N1066 | L636-I1062 HydrophobicContact CD1-CD1 3.92Å; L636-I1062 HydrophobicContact CD1-CG1 3.59Å; A639-I1062 HydrophobicContact CB-CD1 3.93Å; A1058-I1062 WeakPolarHBondContact O-CB 3.44Å; A1058-I1062 VanDerWaalsContact O-CG1 3.26Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.28Å; A1058-I1062 PolarHBondContact O-N 3.3Å; L1059-I1062 HydrophobicContact CD2-CD1 4.16Å; L1059-I1062 PolarHBondContact O-N 2.89Å; I1060-I1062 PolarHBondContact O-N 2.68Å; I1062-Q1065 PolarHBondContact O-N 3.23Å; I1062-N1066 VanDerWaalsContact O-CB 3.26Å; I1062-N1066 WeakPolarHBondContact O-CB 3.38Å; I1062-N1066 PolarHBondContact O-N 3.03Å; I1062-N1066 PolarHBondContact O-OD1 2.75Å |
| 1063 | T | 68.5 | Low | 66.3 | Low | 10 Ų | 10 | 45.5 Ų | 45.5 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | 178.2 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | L1059 I1060 I1061 Q1067 | L1059-T1063 WeakPolarHBondContact O-CG2 3.32Å; L1059-T1063 PolarHBondContact O-N 3.47Å; L1059-T1063 PolarHBondContact O-OG1 3.49Å; I1060-T1063 WeakPolarHBondContact CA-OG1 3.35Å; I1060-T1063 PolarHBondContact O-N 3.26Å; I1060-T1063 VanDerWaalsContact O-N 3.12Å; I1060-T1063 PolarHBondContact O-OG1 2.94Å; I1061-T1063 VanDerWaalsContact C-N 3.31Å; I1061-T1063 PolarHBondContact O-N 2.92Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.35Å; T1063-Q1067 VanDerWaalsContact O-CG 3.23Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.46Å; T1063-Q1067 PolarHBondContact O-N 2.88Å; T1063-Q1067 VanDerWaalsContact O-N 3.12Å |
| 1064 | F | 67.6 | Low | 65.7 | Low | 49 Ų | 49 | 53.1 Ų | 53.1 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 172.9 | -84.3 | -74.6 | 0 | 0 | 0 | 112 | I1060 I1061 Q1067 G1068 V1362 M1366 | I1060-F1064 HydrophobicContact CG2-CD2 3.73Å; I1060-F1064 HydrophobicContact CG2-CE2 3.7Å; I1060-F1064 WeakPolarHBondContact O-CD2 3.33Å; I1060-F1064 PolarHBondContact O-N 3.15Å; I1061-F1064 PolarHBondContact O-N 3.42Å; F1064-Q1067 PolarHBondContact O-N 3Å; F1064-G1068 PolarHBondContact O-N 3.18Å; F1064-V1362 HydrophobicContact CB-CG1 4.35Å; F1064-V1362 HydrophobicContact CD2-CB 4.15Å; F1064-V1362 HydrophobicContact CD2-CG1 3.5Å; F1064-V1362 VanDerWaalsContact CD2-CG1 3.5Å; F1064-V1362 HydrophobicContact CE2-CB 4.26Å; F1064-V1362 HydrophobicContact CE2-CG1 4.1Å; F1064-V1362 HydrophobicContact CG-CG1 4.18Å; F1064-M1366 HydrophobicContact CB-CG 4.33Å |
| 1065 | Q | 67.8 | Low | 65.2 | Low | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -52.1 | 173 | -75 | -178.6 | -69 | 0 | 0 | 111 | I1061 I1062 Q1067 G1068 E1069 M1366 I1865 | I1061-Q1065 HydrophobicContact CG2-CG 4.23Å; I1061-Q1065 WeakPolarHBondContact O-CB 3.21Å; I1061-Q1065 WeakPolarHBondContact O-CG 3.48Å; I1061-Q1065 PolarHBondContact O-N 2.84Å; I1062-Q1065 PolarHBondContact O-N 3.23Å; Q1065-Q1067 VanDerWaalsContact C-N 3.26Å; Q1065-Q1067 PolarHBondContact O-N 3.24Å; Q1065-G1068 CarbonylContact O-C 3.23Å; Q1065-G1068 PolarHBondContact O-N 2.86Å; Q1065-G1068 VanDerWaalsContact O-N 3.12Å; Q1065-E1069 WeakPolarHBondContact O-CB 3.25Å; Q1065-E1069 WeakPolarHBondContact O-CG 3.45Å; Q1065-E1069 PolarHBondContact O-N 3.46Å; Q1065-M1366 HydrophobicContact CG-CE 3.66Å; Q1065-M1366 HydrophobicContact CG-SD 4.46Å; Q1065-I1865 PolarHBondContact NE2-O 2.88Å |
| 1066 | N | 67.6 | Low | 65.1 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 179 | -70.6 | 0.6 | 0 | 0 | 0 | 112.2 | I1062 N1070 | I1062-N1066 VanDerWaalsContact O-CB 3.26Å; I1062-N1066 WeakPolarHBondContact O-CB 3.38Å; I1062-N1066 PolarHBondContact O-N 3.03Å; I1062-N1066 PolarHBondContact O-OD1 2.75Å; N1066-N1070 WeakPolarHBondContact O-CB 3.11Å; N1066-N1070 PolarHBondContact O-N 3.46Å; N1066-N1070 PolarHBondContact O-ND2 3.45Å |
| 1067 | Q | 64.8 | Low | 65.2 | Low | 62 Ų | 62 | 58.9 Ų | 58.9 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.3 | -45.8 | 174.2 | -73.4 | 173.6 | 35.1 | 0 | 0 | 111.8 | C922 T1063 F1064 Q1065 E1069 N1070 E1071 | C922-Q1067 PolarHBondContact SG-NE2 2.88Å; C922-Q1067 VanDerWaalsContact SG-NE2 3.39Å; C922-Q1067 PolarHBondContact SG-OE1 3.44Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.35Å; T1063-Q1067 VanDerWaalsContact O-CG 3.23Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.46Å; T1063-Q1067 PolarHBondContact O-N 2.88Å; T1063-Q1067 VanDerWaalsContact O-N 3.12Å; F1064-Q1067 PolarHBondContact O-N 3Å; Q1065-Q1067 VanDerWaalsContact C-N 3.26Å; Q1065-Q1067 PolarHBondContact O-N 3.24Å; Q1067-E1069 VanDerWaalsContact C-N 3.34Å; Q1067-E1069 PolarHBondContact O-N 3.14Å; Q1067-N1070 PolarHBondContact O-N 2.99Å; Q1067-E1071 PolarHBondContact O-N 3.11Å |
| 1068 | G | 63.1 | Low | 65.2 | Low | 35 Ų | 35 | 62.6 Ų | 62.6 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.3 | -26.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1064 Q1065 L1072 | F1064-G1068 PolarHBondContact O-N 3.18Å; Q1065-G1068 CarbonylContact O-C 3.23Å; Q1065-G1068 PolarHBondContact O-N 2.86Å; Q1065-G1068 VanDerWaalsContact O-N 3.12Å; G1068-L1072 PolarHBondContact O-N 3.01Å |
| 1069 | E | 64.1 | Low | 65.4 | Low | 57 Ų | 57 | 64.1 Ų | 64.1 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.1 | -37.5 | 172.1 | -74.3 | -171.5 | -176.4 | 0 | 0 | 111.4 | Q1065 Q1067 E1071 L1072 I1073 F1866 | Q1065-E1069 WeakPolarHBondContact O-CB 3.25Å; Q1065-E1069 WeakPolarHBondContact O-CG 3.45Å; Q1065-E1069 PolarHBondContact O-N 3.46Å; Q1067-E1069 VanDerWaalsContact C-N 3.34Å; Q1067-E1069 PolarHBondContact O-N 3.14Å; E1069-E1071 VanDerWaalsContact C-N 3.26Å; E1069-E1071 PolarHBondContact O-N 3.32Å; E1069-L1072 WeakPolarHBondContact O-CA 3.42Å; E1069-L1072 WeakPolarHBondContact O-CB 3.43Å; E1069-L1072 PolarHBondContact O-N 3.45Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.42Å; E1069-I1073 PolarHBondContact O-N 3.47Å; E1069-F1866 PolarHBondContact OE1-N 3.31Å |
| 1070 | N | 62.1 | Low | 65.7 | Low | 110 Ų | 110 | 63.7 Ų | 63.7 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.8 | -33.6 | 172.8 | -77.1 | -36.4 | 0 | 0 | 0 | 112.6 | N1066 Q1067 L1072 | N1066-N1070 WeakPolarHBondContact O-CB 3.11Å; N1066-N1070 PolarHBondContact O-N 3.46Å; N1066-N1070 PolarHBondContact O-ND2 3.45Å; Q1067-N1070 PolarHBondContact O-N 2.99Å; N1070-L1072 VanDerWaalsContact C-N 3.29Å |
| 1071 | E | 55.9 | Low | 66.3 | Low | 165 Ų | 165 | 65.7 Ų | 65.7 | 77% | 0.771 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.3 | 170.1 | -67.2 | -168.4 | 171.9 | 0 | 0 | 114.1 | Q1067 E1069 | Q1067-E1071 PolarHBondContact O-N 3.11Å; E1069-E1071 VanDerWaalsContact C-N 3.26Å; E1069-E1071 PolarHBondContact O-N 3.32Å |
| 1072 | L | 56.5 | Low | 67 | Low | 73 Ų | 73 | 67.9 Ų | 67.9 | 38% | 0.382 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -25.6 | -178.9 | -123.1 | 77.1 | 0 | 0 | 0 | 113.7 | G1068 E1069 N1070 E1074 L1075 | G1068-L1072 PolarHBondContact O-N 3.01Å; E1069-L1072 WeakPolarHBondContact O-CA 3.42Å; E1069-L1072 WeakPolarHBondContact O-CB 3.43Å; E1069-L1072 PolarHBondContact O-N 3.45Å; N1070-L1072 VanDerWaalsContact C-N 3.29Å; L1072-E1074 PolarHBondContact O-N 3.37Å; L1072-E1074 VanDerWaalsContact O-N 3.1Å; L1072-L1075 PolarHBondContact O-N 2.89Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å |
| 1073 | I | 56.3 | Low | 67.5 | Low | 131 Ų | 131 | 69.4 Ų | 69.4 | 67% | 0.672 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.2 | -174.4 | -78.4 | 165.6 | 0 | 0 | 0 | 113.2 | E1069 L1075 | E1069-I1073 WeakPolarHBondContact O-CG1 3.42Å; E1069-I1073 PolarHBondContact O-N 3.47Å; I1073-L1075 VanDerWaalsContact C-N 3.3Å; I1073-L1075 PolarHBondContact O-N 3.09Å |
| 1074 | E | 56.6 | Low | 68.3 | Low | 178 Ų | 178 | 69 Ų | 69 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.6 | 178.4 | -57.3 | -165.9 | 154.6 | 0 | 0 | 114.8 | L1072 | L1072-E1074 PolarHBondContact O-N 3.37Å; L1072-E1074 VanDerWaalsContact O-N 3.1Å |
| 1075 | L | 58.1 | Low | 69.2 | Low | 49 Ų | 49 | 66.7 Ų | 66.7 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -122.5 | 122.2 | -165.2 | -57.1 | 179 | 0 | 0 | 0 | 115.1 | L1072 I1073 L1077 K1082 L1484 | L1072-L1075 PolarHBondContact O-N 2.89Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å; I1073-L1075 VanDerWaalsContact C-N 3.3Å; I1073-L1075 PolarHBondContact O-N 3.09Å; L1075-L1077 PolarHBondContact O-N 3.44Å; L1075-K1082 HydrophobicContact CD1-CD 4.32Å; L1075-L1484 HydrophobicContact CD1-CD2 3.89Å; L1075-L1484 HydrophobicContact CD2-CD2 3.51Å; L1075-L1484 HydrophobicContact CD2-CG 4.1Å; L1075-L1484 HydrophobicContact CG-CD2 4.29Å | ||
| 1076 | D | 68.9 | Low | 70 | Confident | 114 Ų | 114 | 68.3 Ų | 68.3 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -66.1 | -11.8 | 177.1 | -69 | -44.1 | 0 | 0 | 0 | 115.7 | K1463 T1480 | D1076-K1463 IonicContact OD2-NZ 2.73Å; D1076-T1480 HydrophobicContact CB-CG2 3.93Å; D1076-T1480 PolarHBondContact OD2-OG1 3.33Å; D1076-T1480 VanDerWaalsContact OD2-OG1 3.04Å |
| 1077 | L | 73.2 | Confident | 70.9 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -114.3 | 134.8 | -167.7 | -79.3 | 167.3 | 0 | 0 | 0 | 111.4 | L1075 Q1081 I1085 I1462 T1480 L1484 | L1075-L1077 PolarHBondContact O-N 3.44Å; L1077-Q1081 HydrophobicContact CD2-CB 4.26Å; L1077-I1085 HydrophobicContact CD1-CD1 4.02Å; L1077-I1462 HydrophobicContact CD2-CG2 3.62Å; L1077-T1480 HydrophobicContact CD1-CG2 3.66Å; L1077-T1480 HydrophobicContact CG-CG2 3.99Å; L1077-L1484 HydrophobicContact CD1-CD1 3.76Å |
| 1078 | D | 70.9 | Confident | 72.1 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | trans | -59.5 | 151.7 | 175.5 | 170.8 | 54.6 | 0 | 0 | 0 | 111.6 | N1080 Q1081 K1082 | D1078-N1080 VanDerWaalsContact C-N 3.27Å; D1078-N1080 PolarHBondContact O-N 2.93Å; D1078-N1080 VanDerWaalsContact OD2-CB 3.26Å; D1078-N1080 WeakPolarHBondContact OD2-CB 3.46Å; D1078-N1080 PolarHBondContact OD2-N 2.86Å; D1078-N1080 PolarHBondContact OD2-ND2 3.43Å; D1078-Q1081 HydrophobicContact CB-CB 4.36Å; D1078-Q1081 HydrophobicContact CB-CG 4.01Å; D1078-Q1081 CarbonylContact O-C 3.2Å; D1078-Q1081 WeakPolarHBondContact O-CA 3.28Å; D1078-Q1081 WeakPolarHBondContact O-CB 3.27Å; D1078-Q1081 PolarHBondContact O-N 3.01Å; D1078-K1082 PolarHBondContact O-N 3.38Å | ||
| 1079 | K | 72 | Confident | 73.1 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -35 | -176.9 | -152.8 | -177.8 | -173.1 | -172.6 | 0 | 112.9 | R1083 D1370 I1863 P1864 | K1079-R1083 PolarHBondContact O-N 3.32Å; K1079-R1083 VanDerWaalsContact O-N 3.15Å; K1079-D1370 IonicContact NZ-OD2 3.84Å; K1079-D1370 PolarHBondContact NZ-OD2 2.89Å; K1079-I1863 PolarHBondContact NZ-O 3.16Å; K1079-P1864 HydrophobicContact CD-CB 3.74Å |
| 1080 | N | 76.5 | Confident | 74.1 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.193 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | 174.4 | -57.9 | -78.5 | 0 | 0 | 0 | 111.3 | D1078 R1083 C1084 | D1078-N1080 VanDerWaalsContact C-N 3.27Å; D1078-N1080 PolarHBondContact O-N 2.93Å; D1078-N1080 VanDerWaalsContact OD2-CB 3.26Å; D1078-N1080 WeakPolarHBondContact OD2-CB 3.46Å; D1078-N1080 PolarHBondContact OD2-N 2.86Å; D1078-N1080 PolarHBondContact OD2-ND2 3.43Å; N1080-R1083 PolarHBondContact O-N 3.23Å; N1080-C1084 PolarHBondContact O-N 3.04Å; N1080-C1084 PolarHBondContact O-SG 3.27Å; N1080-C1084 VanDerWaalsContact O-SG 3.39Å |
| 1081 | Q | 84.2 | Confident | 75.2 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 176 | -62.7 | 177.6 | -20.3 | 0 | 0 | 110.9 | L1077 D1078 R1083 C1084 I1085 I1462 | L1077-Q1081 HydrophobicContact CD2-CB 4.26Å; D1078-Q1081 HydrophobicContact CB-CB 4.36Å; D1078-Q1081 HydrophobicContact CB-CG 4.01Å; D1078-Q1081 CarbonylContact O-C 3.2Å; D1078-Q1081 WeakPolarHBondContact O-CA 3.28Å; D1078-Q1081 WeakPolarHBondContact O-CB 3.27Å; D1078-Q1081 PolarHBondContact O-N 3.01Å; Q1081-R1083 PolarHBondContact O-N 2.87Å; Q1081-C1084 PolarHBondContact O-N 3.17Å; Q1081-I1085 VanDerWaalsContact O-CG1 3.29Å; Q1081-I1085 WeakPolarHBondContact O-CG1 3.44Å; Q1081-I1085 PolarHBondContact O-N 2.65Å; Q1081-I1462 HydrophobicContact CB-CD1 3.93Å; Q1081-I1462 HydrophobicContact CB-CG1 4.33Å; Q1081-I1462 HydrophobicContact CG-CD1 4.03Å; Q1081-I1462 HydrophobicContact CG-CG1 3.95Å |
| 1082 | K | 83.4 | Confident | 76.5 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 174.5 | -177.2 | 175.3 | 175.7 | 174.3 | 0 | 111.5 | L1075 D1078 I1085 D1086 L1484 W1485 | L1075-K1082 HydrophobicContact CD1-CD 4.32Å; D1078-K1082 PolarHBondContact O-N 3.38Å; K1082-I1085 PolarHBondContact O-N 3.03Å; K1082-D1086 PolarHBondContact O-N 3.01Å; K1082-L1484 HydrophobicContact CD-CD2 4Å; K1082-L1484 HydrophobicContact CG-CD2 4.5Å; K1082-W1485 HydrophobicContact CG-CH2 4.18Å; K1082-W1485 HydrophobicContact CG-CZ2 4.29Å |
| 1083 | R | 78.5 | Confident | 77.8 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 179 | -66.6 | -158.1 | -155.8 | 102.6 | 41.7 | 114.2 | K1079 N1080 Q1081 I1085 D1086 F1087 D1370 P1381 S1862 | K1079-R1083 PolarHBondContact O-N 3.32Å; K1079-R1083 VanDerWaalsContact O-N 3.15Å; N1080-R1083 PolarHBondContact O-N 3.23Å; Q1081-R1083 PolarHBondContact O-N 2.87Å; R1083-I1085 VanDerWaalsContact C-N 3.29Å; R1083-I1085 PolarHBondContact O-N 3.16Å; R1083-D1086 PolarHBondContact O-N 2.85Å; R1083-F1087 WeakPolarHBondContact O-CB 3.3Å; R1083-F1087 PolarHBondContact O-N 2.91Å; R1083-D1370 IonicContact CZ-OD1 2.6Å; R1083-D1370 VanDerWaalsContact CZ-OD1 3.25Å; R1083-D1370 IonicContact CZ-OD2 3.71Å; R1083-D1370 VanDerWaalsContact NH1-CG 3.25Å; R1083-D1370 IonicContact NH1-OD1 2.67Å; R1083-D1370 PolarHBondContact NH1-OD1 3.08Å; R1083-D1370 IonicContact NH1-OD2 2.64Å; R1083-D1370 IonicContact NH2-OD1 3.81Å; R1083-D1370 PolarHBondContact NH2-OD1 3.43Å; R1083-D1370 IonicContact NH2-OD2 2.68Å; R1083-D1370 PolarHBondContact NH2-OD2 2.91Å; R1083-P1381 HydrophobicContact CB-CG 3.47Å; R1083-P1381 VanDerWaalsContact CB-CG 3.47Å; R1083-S1862 PolarHBondContact NE-OG 3.5Å |
| 1084 | C | 87.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.8 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | N1080 Q1081 A1088 L1384 I1456 L1460 | N1080-C1084 PolarHBondContact O-N 3.04Å; N1080-C1084 PolarHBondContact O-SG 3.27Å; N1080-C1084 VanDerWaalsContact O-SG 3.39Å; Q1081-C1084 PolarHBondContact O-N 3.17Å; C1084-A1088 WeakPolarHBondContact O-CB 3.13Å; C1084-A1088 PolarHBondContact O-N 3.2Å; C1084-L1384 HydrophobicContact CB-CD1 4.46Å; C1084-I1456 HydrophobicContact CB-CD1 4.36Å; C1084-I1456 HydrophobicContact CB-CG2 3.63Å; C1084-I1456 WeakPolarHBondContact O-CD1 3.49Å; C1084-L1460 HydrophobicContact CB-CD1 4.09Å |
| 1085 | I | 86 | Confident | 79.8 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -43.7 | 171.6 | -66.5 | 165.7 | 0 | 0 | 0 | 110.7 | L1077 Q1081 K1082 R1083 F1087 A1088 I1089 L1453 I1462 W1485 | L1077-I1085 HydrophobicContact CD1-CD1 4.02Å; Q1081-I1085 VanDerWaalsContact O-CG1 3.29Å; Q1081-I1085 WeakPolarHBondContact O-CG1 3.44Å; Q1081-I1085 PolarHBondContact O-N 2.65Å; K1082-I1085 PolarHBondContact O-N 3.03Å; R1083-I1085 VanDerWaalsContact C-N 3.29Å; R1083-I1085 PolarHBondContact O-N 3.16Å; I1085-F1087 PolarHBondContact O-N 3.38Å; I1085-A1088 CarbonylContact O-C 3.59Å; I1085-A1088 PolarHBondContact O-N 3.46Å; I1085-A1088 VanDerWaalsContact O-N 3.15Å; I1085-I1089 HydrophobicContact CG2-CD1 3.82Å; I1085-I1089 HydrophobicContact CG2-CG1 4.4Å; I1085-I1089 VanDerWaalsContact O-CG1 3.29Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.15Å; I1085-I1089 PolarHBondContact O-N 2.97Å; I1085-L1453 HydrophobicContact CG1-CD1 4.11Å; I1085-I1462 HydrophobicContact CD1-CD1 4.21Å; I1085-I1462 HydrophobicContact CD1-CG2 4.4Å; I1085-I1462 HydrophobicContact CG1-CD1 4.26Å; I1085-W1485 HydrophobicContact CB-CH2 3.93Å; I1085-W1485 HydrophobicContact CB-CZ3 4.45Å; I1085-W1485 HydrophobicContact CG2-CH2 3.52Å; I1085-W1485 HydrophobicContact CG2-CZ2 4.28Å; I1085-W1485 HydrophobicContact CG2-CZ3 3.65Å |
| 1086 | D | 85.1 | Confident | 80.2 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.9 | -154 | 52.2 | 0 | 0 | 0 | 112.3 | K1082 R1083 I1089 N1090 W1485 | K1082-D1086 PolarHBondContact O-N 3.01Å; R1083-D1086 PolarHBondContact O-N 2.85Å; D1086-I1089 WeakPolarHBondContact O-CB 3.48Å; D1086-I1089 PolarHBondContact O-N 3.45Å; D1086-N1090 WeakPolarHBondContact O-CB 3.27Å; D1086-N1090 PolarHBondContact O-N 3.15Å; D1086-N1090 PolarHBondContact O-ND2 2.91Å; D1086-N1090 PolarHBondContact OD2-ND2 2.74Å; D1086-W1485 HydrophobicContact CB-CZ2 3.92Å; D1086-W1485 PolarHBondContact OD1-NE1 3Å |
| 1087 | F | 86.7 | Confident | 80.2 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 170.9 | -173.5 | -81 | 0 | 0 | 0 | 111.1 | R1083 I1085 I1089 N1090 A1091 P1381 L1384 V1388 L1452 | R1083-F1087 WeakPolarHBondContact O-CB 3.3Å; R1083-F1087 PolarHBondContact O-N 2.91Å; I1085-F1087 PolarHBondContact O-N 3.38Å; F1087-I1089 VanDerWaalsContact C-N 3.26Å; F1087-I1089 PolarHBondContact O-N 2.78Å; F1087-N1090 PolarHBondContact O-N 3.09Å; F1087-A1091 HydrophobicContact CD1-CB 3.96Å; F1087-A1091 HydrophobicContact CE1-CB 3.72Å; F1087-A1091 HydrophobicContact CZ-CB 4.31Å; F1087-A1091 WeakPolarHBondContact O-CB 3.38Å; F1087-A1091 PolarHBondContact O-N 2.92Å; F1087-P1381 HydrophobicContact CB-CB 4.48Å; F1087-P1381 HydrophobicContact CD2-CB 4.29Å; F1087-L1384 HydrophobicContact CB-CD1 4.13Å; F1087-L1384 HydrophobicContact CD1-CB 3.68Å; F1087-L1384 HydrophobicContact CD1-CD1 3.48Å; F1087-L1384 VanDerWaalsContact CD1-CD1 3.48Å; F1087-L1384 HydrophobicContact CD1-CG 4.24Å; F1087-L1384 HydrophobicContact CE1-CB 3.33Å; F1087-L1384 HydrophobicContact CE1-CD1 4.09Å; F1087-L1384 HydrophobicContact CE1-CG 4.36Å; F1087-L1384 HydrophobicContact CG-CB 4.43Å; F1087-L1384 HydrophobicContact CG-CD1 3.91Å; F1087-L1384 HydrophobicContact CZ-CB 3.82Å; F1087-V1388 HydrophobicContact CE1-CG2 4.13Å; F1087-V1388 HydrophobicContact CZ-CG2 4.04Å; F1087-L1452 HydrophobicContact CD1-CD2 4.16Å; F1087-L1452 HydrophobicContact CE1-CD2 4.15Å |
| 1088 | A | 88.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -29.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1084 I1085 L1452 L1453 I1456 | C1084-A1088 WeakPolarHBondContact O-CB 3.13Å; C1084-A1088 PolarHBondContact O-N 3.2Å; I1085-A1088 CarbonylContact O-C 3.59Å; I1085-A1088 PolarHBondContact O-N 3.46Å; I1085-A1088 VanDerWaalsContact O-N 3.15Å; A1088-L1452 HydrophobicContact CB-CD2 4.3Å; A1088-L1452 HydrophobicContact CB-CG 4.13Å; A1088-L1453 HydrophobicContact CB-CB 4.23Å; A1088-L1453 HydrophobicContact CB-CD1 4.36Å; A1088-I1456 HydrophobicContact CB-CD1 3.84Å |
| 1089 | I | 84.9 | Confident | 80.5 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.1 | -41.7 | 173.1 | -75.3 | 168.9 | 0 | 0 | 0 | 111.1 | I1085 D1086 F1087 W1485 M1492 L1496 | I1085-I1089 HydrophobicContact CG2-CD1 3.82Å; I1085-I1089 HydrophobicContact CG2-CG1 4.4Å; I1085-I1089 VanDerWaalsContact O-CG1 3.29Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.15Å; I1085-I1089 PolarHBondContact O-N 2.97Å; D1086-I1089 WeakPolarHBondContact O-CB 3.48Å; D1086-I1089 PolarHBondContact O-N 3.45Å; F1087-I1089 VanDerWaalsContact C-N 3.26Å; F1087-I1089 PolarHBondContact O-N 2.78Å; I1089-W1485 HydrophobicContact CD1-CD2 3.82Å; I1089-W1485 HydrophobicContact CD1-CE3 4.09Å; I1089-W1485 HydrophobicContact CD1-CG 4.21Å; I1089-W1485 HydrophobicContact CD1-CH2 4.49Å; I1089-W1485 HydrophobicContact CD1-CZ2 4.21Å; I1089-W1485 HydrophobicContact CD1-CZ3 4.43Å; I1089-M1492 HydrophobicContact CB-CE 4.22Å; I1089-M1492 HydrophobicContact CG2-CE 3.69Å; I1089-M1492 WeakPolarHBondContact O-CE 3.17Å; I1089-L1496 HydrophobicContact CD1-CD1 4.35Å; I1089-L1496 HydrophobicContact CG1-CD1 3.82Å; I1089-L1496 HydrophobicContact CG1-CD2 3.96Å |
| 1090 | N | 85.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -96.7 | -19.5 | -170.6 | -64.4 | -45.3 | 0 | 0 | 0 | 114.9 | D1086 F1087 V1819 | D1086-N1090 WeakPolarHBondContact O-CB 3.27Å; D1086-N1090 PolarHBondContact O-N 3.15Å; D1086-N1090 PolarHBondContact O-ND2 2.91Å; D1086-N1090 PolarHBondContact OD2-ND2 2.74Å; F1087-N1090 PolarHBondContact O-N 3.09Å; N1090-V1819 HydrophobicContact CB-CG2 3.73Å |
| 1091 | A | 84.3 | Confident | 80.3 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | trans | -68.5 | 148.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1087 F1448 L1452 | F1087-A1091 HydrophobicContact CD1-CB 3.96Å; F1087-A1091 HydrophobicContact CE1-CB 3.72Å; F1087-A1091 HydrophobicContact CZ-CB 4.31Å; F1087-A1091 WeakPolarHBondContact O-CB 3.38Å; F1087-A1091 PolarHBondContact O-N 2.92Å; A1091-F1448 HydrophobicContact CB-CE1 3.79Å; A1091-F1448 HydrophobicContact CB-CZ 3.98Å; A1091-F1448 WeakPolarHBondContact O-CE1 3.41Å; A1091-L1452 HydrophobicContact CB-CD2 3.89Å | ||
| 1092 | R | 83.8 | Confident | 79.9 | Confident | 122 Ų | 122 | 54.9 Ų | 54.9 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | trans | -140.1 | 151.4 | 177.5 | -59 | -169 | -161.1 | -118.5 | 2.5 | 111.5 | V1388 V1816 D1817 | R1092-V1388 VanDerWaalsContact O-CG1 3.22Å; R1092-V1388 WeakPolarHBondContact O-CG1 3.41Å; R1092-V1816 VanDerWaalsContact CZ-CG1 3.44Å; R1092-V1816 VanDerWaalsContact NE-CG1 3.29Å; R1092-D1817 IonicContact CZ-OD2 2.64Å; R1092-D1817 IonicContact NE-OD2 3.75Å; R1092-D1817 PolarHBondContact NE-OD2 3.23Å; R1092-D1817 VanDerWaalsContact NH2-CG 3.31Å; R1092-D1817 IonicContact NH2-OD1 2.66Å; R1092-D1817 PolarHBondContact NH2-OD1 2.86Å; R1092-D1817 IonicContact NH2-OD2 2.69Å; R1092-D1817 PolarHBondContact NH2-OD2 3Å | ||
| 1093 | P | 84.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 147.5 | 175.6 | 28.2 | -37 | 0 | 0 | 0 | 112.7 | A1398 F1448 | P1093-A1398 HydrophobicContact CB-CB 3.91Å; P1093-A1398 HydrophobicContact CG-CB 3.97Å; P1093-A1398 WeakPolarHBondContact O-CB 3.33Å; P1093-F1448 HydrophobicContact CB-CD2 4.38Å |
| 1094 | L | 79.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 129.1 | -177.4 | -68.9 | 165.5 | 0 | 0 | 0 | 111.9 | V1388 A1392 | L1094-V1388 HydrophobicContact CD1-CB 4.48Å; L1094-V1388 HydrophobicContact CD1-CG1 3.83Å; L1094-V1388 HydrophobicContact CG-CG1 3.82Å; L1094-A1392 HydrophobicContact CB-CB 4.02Å; L1094-A1392 VanDerWaalsContact O-CB 3.27Å; L1094-A1392 WeakPolarHBondContact O-CB 3.4Å |
| 1095 | C | 74.3 | Confident | 79.3 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 126.1 | 174.4 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | Y1097 A1398 | C1095-Y1097 HydrophobicContact CB-CE1 4.46Å; C1095-A1398 HydrophobicContact CB-CB 4.38Å; C1095-A1398 VanDerWaalsContact SG-CB 3.5Å |
| 1096 | R | 67.9 | Low | 79.2 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | trans | -96.8 | 115.4 | 166.3 | -74.9 | -170.8 | 177.3 | -173.1 | 9.5 | 109.9 | M1098 A1392 E1393 P1396 | R1096-M1098 PolarHBondContact O-N 2.9Å; R1096-A1392 HydrophobicContact CG-CB 4.39Å; R1096-E1393 VanDerWaalsContact CZ-CG 3.45Å; R1096-E1393 IonicContact CZ-OE1 3.61Å; R1096-E1393 VanDerWaalsContact NH1-CG 3.28Å; R1096-E1393 IonicContact NH1-OE1 3.9Å; R1096-E1393 PolarHBondContact NH1-OE1 2.77Å; R1096-E1393 IonicContact NH2-OE1 3.93Å; R1096-E1393 PolarHBondContact NH2-OE1 3.22Å; R1096-P1396 PolarHBondContact N-O 2.9Å | ||
| 1097 | Y | 68.9 | Low | 79.2 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | trans | -72.6 | 54 | -173.4 | -59 | -69.2 | 0 | 0 | 0 | 115 | C1095 P1099 W1110 N1190 R1193 | C1095-Y1097 HydrophobicContact CB-CE1 4.46Å; Y1097-P1099 WeakPolarHBondContact O-CD 3.48Å; Y1097-W1110 PolarHBondContact O-NE1 3.37Å; Y1097-N1190 HydrophobicContact CD1-CB 4.29Å; Y1097-N1190 HydrophobicContact CD2-CB 4.31Å; Y1097-N1190 HydrophobicContact CE1-CB 4.43Å; Y1097-N1190 WeakPolarHBondContact CE1-OD1 3.5Å; Y1097-N1190 HydrophobicContact CE2-CB 4.45Å; Y1097-N1190 HydrophobicContact CG-CB 4.24Å; Y1097-R1193 WeakPolarHBondContact OH-CD 3.46Å; Y1097-R1193 PolarHBondContact OH-NH1 3.1Å | ||
| 1098 | M | 73.6 | Confident | 79.2 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 49% | 0.488 | 32% | 0.321 | S | S | . | . | trans | -73.9 | 124.1 | 178 | -176.2 | 171.1 | 61.4 | 0 | 0 | 111.4 | R1096 K1100 Y1107 W1110 | R1096-M1098 PolarHBondContact O-N 2.9Å; M1098-K1100 PolarHBondContact O-N 3.31Å; M1098-Y1107 HydrophobicContact CG-CE2 4.36Å; M1098-Y1107 HydrophobicContact SD-CE2 4.35Å; M1098-W1110 HydrophobicContact CB-CH2 3.98Å; M1098-W1110 HydrophobicContact CB-CZ2 3.86Å; M1098-W1110 HydrophobicContact CG-CH2 3.74Å; M1098-W1110 HydrophobicContact CG-CZ2 4.1Å; M1098-W1110 HydrophobicContact CG-CZ3 3.96Å; M1098-W1110 HydrophobicContact SD-CH2 4.09Å; M1098-W1110 HydrophobicContact SD-CZ3 4.32Å | ||
| 1099 | P | 75.1 | Confident | 79.2 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | trans | -72.2 | 125.9 | 174.7 | 28.1 | -32.2 | 0 | 0 | 0 | 111 | Y1097 D1101 K1106 Y1107 W1110 | Y1097-P1099 WeakPolarHBondContact O-CD 3.48Å; P1099-D1101 VanDerWaalsContact C-N 3.34Å; P1099-D1101 PolarHBondContact O-N 3.34Å; P1099-K1106 HydrophobicContact CB-CD 4.28Å; P1099-K1106 HydrophobicContact CB-CG 4.12Å; P1099-K1106 HydrophobicContact CG-CG 4.27Å; P1099-Y1107 HydrophobicContact CG-CD2 4.11Å; P1099-W1110 HydrophobicContact CG-CB 3.94Å; P1099-W1110 HydrophobicContact CG-CD2 4.33Å; P1099-W1110 HydrophobicContact CG-CG 4.02Å | ||
| 1100 | K | 69.9 | Low | 79.4 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -59.5 | -33.9 | -168.4 | -59.2 | -178.7 | 177.4 | 177.2 | 0 | 114.9 | M1098 R1102 H1949 R1950 S1951 | M1098-K1100 PolarHBondContact O-N 3.31Å; K1100-R1102 PolarHBondContact O-N 2.73Å; K1100-H1949 PolarHBondContact O-N 2.98Å; K1100-R1950 WeakPolarHBondContact CD-O 3.44Å; K1100-R1950 WeakPolarHBondContact CE-O 3.43Å; K1100-R1950 PolarHBondContact NZ-O 3.28Å; K1100-S1951 PolarHBondContact NZ-O 2.82Å |
| 1101 | D | 75.8 | Confident | 79.5 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | trans | -95.2 | 93 | -174 | -66.9 | -61.4 | 0 | 0 | 0 | 113.1 | P1099 H1103 S1104 H1949 | P1099-D1101 VanDerWaalsContact C-N 3.34Å; P1099-D1101 PolarHBondContact O-N 3.34Å; D1101-H1103 PolarHBondContact O-N 2.87Å; D1101-S1104 VanDerWaalsContact O-CB 3.32Å; D1101-S1104 WeakPolarHBondContact O-CB 3.25Å; D1101-S1104 PolarHBondContact O-N 3.16Å; D1101-H1949 IonicContact OD1-CE1 3.65Å; D1101-H1949 IonicContact OD1-CG 3.71Å; D1101-H1949 IonicContact OD1-ND1 3.61Å; D1101-H1949 PolarHBondContact OD1-ND1 3.34Å | ||
| 1102 | R | 75.1 | Confident | 79.7 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -8.4 | -179.9 | -171.7 | 164.7 | 163.9 | -165.5 | -6.1 | 116.1 | K1100 Y1107 N1945 L1946 | K1100-R1102 PolarHBondContact O-N 2.73Å; R1102-Y1107 HydrophobicContact CB-CD1 4.43Å; R1102-Y1107 HydrophobicContact CB-CE1 4.5Å; R1102-Y1107 HydrophobicContact CG-CD1 4.08Å; R1102-Y1107 HydrophobicContact CG-CE1 3.75Å; R1102-N1945 PolarHBondContact NH2-O 2.79Å; R1102-L1946 HydrophobicContact CB-CD1 4.21Å; R1102-L1946 HydrophobicContact CG-CD1 4.22Å; R1102-L1946 VanDerWaalsContact CZ-N 3.31Å; R1102-L1946 VanDerWaalsContact NE-N 3.15Å; R1102-L1946 PolarHBondContact NH1-O 3.47Å |
| 1103 | H | 74.1 | Confident | 79.9 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -33.4 | 169.5 | -96.9 | -35.2 | 0 | 0 | 0 | 113.5 | D1101 L1946 | D1101-H1103 PolarHBondContact O-N 2.87Å; H1103-L1946 HydrophobicContact CB-CD1 4.31Å; H1103-L1946 VanDerWaalsContact CD2-CD2 3.47Å; H1103-L1946 WeakPolarHBondContact CD2-CD2 3.42Å; H1103-L1946 VanDerWaalsContact CE1-CD2 3.43Å; H1103-L1946 WeakPolarHBondContact CE1-CD2 3.36Å; H1103-L1946 VanDerWaalsContact ND1-CD1 3.33Å; H1103-L1946 WeakPolarHBondContact ND1-CD1 3.03Å; H1103-L1946 WeakPolarHBondContact NE2-CD2 3.05Å |
| 1104 | S | 80.9 | Confident | 79.9 | Confident | 53 Ų | 53 | 73.4 Ų | 73.4 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -63.2 | 147.8 | -164.9 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | D1101 K1106 Y1107 R1108 | D1101-S1104 VanDerWaalsContact O-CB 3.32Å; D1101-S1104 WeakPolarHBondContact O-CB 3.25Å; D1101-S1104 PolarHBondContact O-N 3.16Å; S1104-K1106 PolarHBondContact O-N 2.91Å; S1104-K1106 PolarHBondContact OG-N 2.77Å; S1104-Y1107 PolarHBondContact O-N 3.42Å; S1104-R1108 PolarHBondContact O-N 3.38Å |
| 1105 | L | 81.7 | Confident | 80.2 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -52.9 | -36.8 | 168 | -69.3 | 174.1 | 0 | 0 | 0 | 110.9 | Y1107 R1108 V1109 | L1105-Y1107 VanDerWaalsContact C-N 3.31Å; L1105-Y1107 PolarHBondContact O-N 2.84Å; L1105-R1108 PolarHBondContact O-N 3.31Å; L1105-V1109 WeakPolarHBondContact O-CG2 2.87Å; L1105-V1109 PolarHBondContact O-N 3.21Å |
| 1106 | K | 84.2 | Confident | 80.7 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 175.5 | -172.7 | 169.1 | -174 | 176.9 | 0 | 112.6 | P1099 S1104 W1110 A1185 F1186 | P1099-K1106 HydrophobicContact CB-CD 4.28Å; P1099-K1106 HydrophobicContact CB-CG 4.12Å; P1099-K1106 HydrophobicContact CG-CG 4.27Å; S1104-K1106 PolarHBondContact O-N 2.91Å; S1104-K1106 PolarHBondContact OG-N 2.77Å; K1106-W1110 WeakPolarHBondContact O-CB 3.23Å; K1106-W1110 PolarHBondContact O-N 3.21Å; K1106-A1185 WeakPolarHBondContact CE-O 3.46Å; K1106-F1186 PolarHBondContact NZ-O 2.88Å; K1106-F1186 VanDerWaalsContact NZ-O 3.15Å |
| 1107 | Y | 84.5 | Confident | 81.7 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.1 | -31.3 | 176 | 178.4 | -92.1 | 0 | 0 | 0 | 112.5 | M1098 P1099 R1102 S1104 L1105 W1110 R1111 | M1098-Y1107 HydrophobicContact CG-CE2 4.36Å; M1098-Y1107 HydrophobicContact SD-CE2 4.35Å; P1099-Y1107 HydrophobicContact CG-CD2 4.11Å; R1102-Y1107 HydrophobicContact CB-CD1 4.43Å; R1102-Y1107 HydrophobicContact CB-CE1 4.5Å; R1102-Y1107 HydrophobicContact CG-CD1 4.08Å; R1102-Y1107 HydrophobicContact CG-CE1 3.75Å; S1104-Y1107 PolarHBondContact O-N 3.42Å; L1105-Y1107 VanDerWaalsContact C-N 3.31Å; L1105-Y1107 PolarHBondContact O-N 2.84Å; Y1107-W1110 HydrophobicContact CD2-CE3 4.08Å; Y1107-W1110 HydrophobicContact CD2-CZ3 4.37Å; Y1107-W1110 AromaticContact CE2-CE3 3.97Å; Y1107-W1110 HydrophobicContact CE2-CE3 3.97Å; Y1107-W1110 AromaticContact CE2-CZ3 3.83Å; Y1107-W1110 HydrophobicContact CE2-CZ3 3.83Å; Y1107-R1111 WeakPolarHBondContact O-CB 3.37Å; Y1107-R1111 PolarHBondContact O-N 3.08Å; Y1107-R1111 PolarHBondContact OH-NH2 2.95Å |
| 1108 | R | 86.8 | Confident | 82.7 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.7 | -45.3 | 174.4 | -57.3 | -171.3 | -158.7 | 178.6 | 9.6 | 112.2 | S1104 L1105 R1111 L1112 S1941 | S1104-R1108 PolarHBondContact O-N 3.38Å; L1105-R1108 PolarHBondContact O-N 3.31Å; R1108-R1111 PolarHBondContact O-N 2.76Å; R1108-L1112 PolarHBondContact O-N 3.07Å; R1108-S1941 PolarHBondContact NH1-OG 3.27Å |
| 1109 | V | 88.7 | Confident | 83.2 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | L1105 L1112 V1113 L1181 M1184 A1185 | L1105-V1109 WeakPolarHBondContact O-CG2 2.87Å; L1105-V1109 PolarHBondContact O-N 3.21Å; V1109-L1112 PolarHBondContact O-N 3.31Å; V1109-L1112 VanDerWaalsContact O-N 3.16Å; V1109-V1113 HydrophobicContact CG1-CG2 4.19Å; V1109-V1113 WeakPolarHBondContact O-CB 3.32Å; V1109-V1113 WeakPolarHBondContact O-CG2 3.38Å; V1109-V1113 PolarHBondContact O-N 2.76Å; V1109-L1181 HydrophobicContact CG1-CB 4.44Å; V1109-L1181 HydrophobicContact CG1-CD2 4.04Å; V1109-L1181 WeakPolarHBondContact CG1-O 3.41Å; V1109-M1184 HydrophobicContact CG1-CB 4.12Å; V1109-A1185 HydrophobicContact CG1-CB 4.19Å |
| 1110 | W | 88.4 | Confident | 83.7 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 170.8 | 177.7 | 86.5 | 0 | 0 | 0 | 112.4 | Y1097 M1098 P1099 K1106 Y1107 L1112 V1113 V1114 A1185 F1186 | Y1097-W1110 PolarHBondContact O-NE1 3.37Å; M1098-W1110 HydrophobicContact CB-CH2 3.98Å; M1098-W1110 HydrophobicContact CB-CZ2 3.86Å; M1098-W1110 HydrophobicContact CG-CH2 3.74Å; M1098-W1110 HydrophobicContact CG-CZ2 4.1Å; M1098-W1110 HydrophobicContact CG-CZ3 3.96Å; M1098-W1110 HydrophobicContact SD-CH2 4.09Å; M1098-W1110 HydrophobicContact SD-CZ3 4.32Å; P1099-W1110 HydrophobicContact CG-CB 3.94Å; P1099-W1110 HydrophobicContact CG-CD2 4.33Å; P1099-W1110 HydrophobicContact CG-CG 4.02Å; K1106-W1110 WeakPolarHBondContact O-CB 3.23Å; K1106-W1110 PolarHBondContact O-N 3.21Å; Y1107-W1110 HydrophobicContact CD2-CE3 4.08Å; Y1107-W1110 HydrophobicContact CD2-CZ3 4.37Å; Y1107-W1110 AromaticContact CE2-CE3 3.97Å; Y1107-W1110 HydrophobicContact CE2-CE3 3.97Å; Y1107-W1110 AromaticContact CE2-CZ3 3.83Å; Y1107-W1110 HydrophobicContact CE2-CZ3 3.83Å; W1110-L1112 PolarHBondContact O-N 3.28Å; W1110-V1113 PolarHBondContact O-N 3.13Å; W1110-V1114 HydrophobicContact CD2-CG2 4.49Å; W1110-V1114 HydrophobicContact CG-CG2 4.49Å; W1110-V1114 WeakPolarHBondContact O-CB 3.12Å; W1110-V1114 WeakPolarHBondContact O-CG2 3.32Å; W1110-V1114 PolarHBondContact O-N 3.01Å; W1110-A1185 HydrophobicContact CB-CB 4.17Å; W1110-F1186 AromaticContact CD1-CD1 3.91Å; W1110-F1186 AromaticContact CD1-CE1 3.78Å; W1110-F1186 AromaticContact NE1-CE1 3.89Å |
| 1111 | R | 87.4 | Confident | 84.7 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 175.2 | 178.1 | -174.2 | -75.3 | -151.2 | -8.7 | 112.4 | Y1107 R1108 V1114 S1115 | Y1107-R1111 WeakPolarHBondContact O-CB 3.37Å; Y1107-R1111 PolarHBondContact O-N 3.08Å; Y1107-R1111 PolarHBondContact OH-NH2 2.95Å; R1108-R1111 PolarHBondContact O-N 2.76Å; R1111-V1114 CarbonylContact O-C 3.52Å; R1111-S1115 WeakPolarHBondContact O-CA 3.35Å; R1111-S1115 WeakPolarHBondContact O-CB 3.49Å; R1111-S1115 PolarHBondContact O-N 2.82Å |
| 1112 | L | 88.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.7 | -43.1 | 177.9 | -178.6 | 66.8 | 0 | 0 | 0 | 112.4 | R1108 V1109 W1110 V1114 S1115 F1118 | R1108-L1112 PolarHBondContact O-N 3.07Å; V1109-L1112 PolarHBondContact O-N 3.31Å; V1109-L1112 VanDerWaalsContact O-N 3.16Å; W1110-L1112 PolarHBondContact O-N 3.28Å; L1112-V1114 VanDerWaalsContact C-N 3.34Å; L1112-S1115 WeakPolarHBondContact O-CA 3.42Å; L1112-S1115 WeakPolarHBondContact O-CB 3.21Å; L1112-S1115 PolarHBondContact O-N 2.99Å; L1112-S1115 PolarHBondContact O-OG 3.21Å; L1112-F1118 VanDerWaalsContact O-CB 3.31Å; L1112-F1118 WeakPolarHBondContact O-CB 3.23Å |
| 1113 | V | 87.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.2 | -31.5 | 179.9 | 166.8 | 0 | 0 | 0 | 0 | 112.2 | V1109 W1110 S1115 F1118 L1181 K1182 A1185 F1186 Q1829 | V1109-V1113 HydrophobicContact CG1-CG2 4.19Å; V1109-V1113 WeakPolarHBondContact O-CB 3.32Å; V1109-V1113 WeakPolarHBondContact O-CG2 3.38Å; V1109-V1113 PolarHBondContact O-N 2.76Å; W1110-V1113 PolarHBondContact O-N 3.13Å; V1113-S1115 VanDerWaalsContact C-N 3.31Å; V1113-F1118 HydrophobicContact CG2-CE1 4.46Å; V1113-L1181 HydrophobicContact CG2-CB 3.86Å; V1113-K1182 HydrophobicContact CG1-CB 4.32Å; V1113-K1182 HydrophobicContact CG1-CG 3.67Å; V1113-A1185 HydrophobicContact CB-CB 3.87Å; V1113-A1185 HydrophobicContact CG1-CB 4.05Å; V1113-A1185 HydrophobicContact CG2-CB 3.94Å; V1113-F1186 HydrophobicContact CG1-CE2 3.74Å; V1113-F1186 HydrophobicContact CG1-CZ 3.82Å; V1113-Q1829 PolarHBondContact O-NE2 2.92Å |
| 1114 | V | 84 | Confident | 86.4 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 25.6 | 166.3 | -161.7 | 0 | 0 | 0 | 0 | 109.6 | W1110 R1111 L1112 F1186 Q1829 | W1110-V1114 HydrophobicContact CD2-CG2 4.49Å; W1110-V1114 HydrophobicContact CG-CG2 4.49Å; W1110-V1114 WeakPolarHBondContact O-CB 3.12Å; W1110-V1114 WeakPolarHBondContact O-CG2 3.32Å; W1110-V1114 PolarHBondContact O-N 3.01Å; R1111-V1114 CarbonylContact O-C 3.52Å; L1112-V1114 VanDerWaalsContact C-N 3.34Å; V1114-F1186 HydrophobicContact CG2-CE1 3.82Å; V1114-F1186 HydrophobicContact CG2-CZ 3.86Å; V1114-Q1829 PolarHBondContact O-OE1 2.86Å |
| 1115 | S | 87.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 57 Ų | 57 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | trans | -88 | 134.4 | 165.5 | 77.4 | 0 | 0 | 0 | 0 | 108.7 | R1111 L1112 V1113 P1117 F1118 Q1829 | R1111-S1115 WeakPolarHBondContact O-CA 3.35Å; R1111-S1115 WeakPolarHBondContact O-CB 3.49Å; R1111-S1115 PolarHBondContact O-N 2.82Å; L1112-S1115 WeakPolarHBondContact O-CA 3.42Å; L1112-S1115 WeakPolarHBondContact O-CB 3.21Å; L1112-S1115 PolarHBondContact O-N 2.99Å; L1112-S1115 PolarHBondContact O-OG 3.21Å; V1113-S1115 VanDerWaalsContact C-N 3.31Å; S1115-P1117 VanDerWaalsContact C-CD 3.46Å; S1115-F1118 VanDerWaalsContact O-CB 3.31Å; S1115-F1118 WeakPolarHBondContact O-CB 3.16Å; S1115-F1118 PolarHBondContact O-N 2.88Å; S1115-F1118 VanDerWaalsContact O-N 3.13Å; S1115-F1118 WeakPolarHBondContact OG-CB 3.27Å; S1115-Q1829 PolarHBondContact O-NE2 2.81Å | ||
| 1116 | T | 85.2 | Confident | 87 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -31.5 | -173.9 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | F1118 Y1828 | T1116-F1118 PolarHBondContact O-N 3.2Å; T1116-Y1828 VanDerWaalsContact CB-CD1 3.42Å; T1116-Y1828 VanDerWaalsContact CB-CG 3.46Å; T1116-Y1828 VanDerWaalsContact CB-CZ 3.43Å; T1116-Y1828 HydrophobicContact CG2-CD1 4.05Å; T1116-Y1828 HydrophobicContact CG2-CD2 3.55Å; T1116-Y1828 HydrophobicContact CG2-CE1 4.4Å; T1116-Y1828 HydrophobicContact CG2-CE2 3.98Å; T1116-Y1828 HydrophobicContact CG2-CG 3.57Å; T1116-Y1828 WeakPolarHBondContact O-CD1 3.47Å; T1116-Y1828 WeakPolarHBondContact O-CE1 3.48Å |
| 1117 | P | 88.6 | Confident | 87.1 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 53% | 0.532 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.6 | -22.4 | 173.2 | -16.5 | 33.5 | 0 | 0 | 0 | 114.3 | S1115 E1119 Y1120 Y1121 | S1115-P1117 VanDerWaalsContact C-CD 3.46Å; P1117-E1119 PolarHBondContact O-N 3.48Å; P1117-Y1120 PolarHBondContact O-N 3.13Å; P1117-Y1121 PolarHBondContact O-N 3.33Å; P1117-Y1121 VanDerWaalsContact O-N 3.09Å |
| 1118 | F | 88.5 | Confident | 87.4 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -32.1 | 179.6 | -178.8 | -103.9 | 0 | 0 | 0 | 111.3 | L1112 V1113 S1115 T1116 Y1121 I1122 E1178 L1181 | L1112-F1118 VanDerWaalsContact O-CB 3.31Å; L1112-F1118 WeakPolarHBondContact O-CB 3.23Å; V1113-F1118 HydrophobicContact CG2-CE1 4.46Å; S1115-F1118 VanDerWaalsContact O-CB 3.31Å; S1115-F1118 WeakPolarHBondContact O-CB 3.16Å; S1115-F1118 PolarHBondContact O-N 2.88Å; S1115-F1118 VanDerWaalsContact O-N 3.13Å; S1115-F1118 WeakPolarHBondContact OG-CB 3.27Å; T1116-F1118 PolarHBondContact O-N 3.2Å; F1118-Y1121 PolarHBondContact O-N 3.05Å; F1118-I1122 HydrophobicContact CD1-CG1 4.5Å; F1118-I1122 HydrophobicContact CE1-CG1 4.24Å; F1118-I1122 HydrophobicContact CZ-CD1 4.46Å; F1118-I1122 HydrophobicContact CZ-CG1 4.32Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.09Å; F1118-I1122 PolarHBondContact O-N 2.72Å; F1118-E1178 HydrophobicContact CE1-CG 4.13Å; F1118-E1178 HydrophobicContact CZ-CG 3.95Å; F1118-L1181 HydrophobicContact CE2-CD1 4.19Å; F1118-L1181 HydrophobicContact CZ-CD1 4.31Å |
| 1119 | E | 84 | Confident | 87.4 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -50.9 | 173 | -55.9 | 172.7 | -128.2 | 0 | 0 | 112.5 | P1117 Y1121 I1122 M1123 Q1241 Y1828 Q1829 | P1117-E1119 PolarHBondContact O-N 3.48Å; E1119-Y1121 PolarHBondContact O-N 3.27Å; E1119-I1122 PolarHBondContact O-N 3.07Å; E1119-I1122 VanDerWaalsContact O-N 3.15Å; E1119-M1123 WeakPolarHBondContact O-CB 3.41Å; E1119-M1123 PolarHBondContact O-N 3.4Å; E1119-Q1241 PolarHBondContact OE2-NE2 3.4Å; E1119-Q1241 PolarHBondContact OE2-OE1 3.48Å; E1119-Y1828 VanDerWaalsContact OE1-CA 3.27Å; E1119-Y1828 WeakPolarHBondContact OE1-CA 3.15Å; E1119-Y1828 WeakPolarHBondContact OE1-CB 3.43Å; E1119-Y1828 WeakPolarHBondContact OE1-CD1 3.24Å; E1119-Y1828 WeakPolarHBondContact OE2-CA 3.5Å; E1119-Q1829 VanDerWaalsContact CD-CG 3.46Å; E1119-Q1829 HydrophobicContact CG-CB 4.48Å; E1119-Q1829 HydrophobicContact CG-CG 3.68Å; E1119-Q1829 VanDerWaalsContact OE1-CB 3.23Å; E1119-Q1829 WeakPolarHBondContact OE1-CB 3.45Å; E1119-Q1829 WeakPolarHBondContact OE1-CG 3.39Å; E1119-Q1829 PolarHBondContact OE1-N 3.42Å; E1119-Q1829 PolarHBondContact OE1-OE1 2.75Å; E1119-Q1829 PolarHBondContact OE2-N 2.87Å |
| 1120 | Y | 86.9 | Confident | 87.3 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -32.2 | -177.7 | -76.4 | -54.5 | 0 | 0 | 0 | 111.1 | P1117 M1123 V1124 Y1827 Y1828 | P1117-Y1120 PolarHBondContact O-N 3.13Å; Y1120-M1123 HydrophobicContact CD1-CE 3.42Å; Y1120-M1123 VanDerWaalsContact CD1-CE 3.42Å; Y1120-M1123 HydrophobicContact CD1-SD 3.87Å; Y1120-M1123 HydrophobicContact CE1-CE 3.49Å; Y1120-M1123 VanDerWaalsContact CE1-CE 3.49Å; Y1120-M1123 HydrophobicContact CE1-SD 3.99Å; Y1120-M1123 HydrophobicContact CG-CE 4.41Å; Y1120-V1124 VanDerWaalsContact O-CB 3.29Å; Y1120-V1124 WeakPolarHBondContact O-CB 3.43Å; Y1120-V1124 WeakPolarHBondContact O-CG2 3.36Å; Y1120-V1124 PolarHBondContact O-N 3.29Å; Y1120-Y1827 AromaticContact CE2-CD1 3.84Å; Y1120-Y1827 HydrophobicContact CE2-CD1 3.84Å; Y1120-Y1827 AromaticContact CE2-CE1 3.71Å; Y1120-Y1827 HydrophobicContact CE2-CE1 3.71Å; Y1120-Y1827 AromaticContact CZ-CD1 3.97Å; Y1120-Y1827 AromaticContact CZ-CE1 3.74Å; Y1120-Y1827 WeakPolarHBondContact OH-CD1 3.24Å; Y1120-Y1827 WeakPolarHBondContact OH-CE1 3.41Å; Y1120-Y1828 AromaticContact CD2-CE1 3.66Å; Y1120-Y1828 HydrophobicContact CD2-CE1 3.66Å; Y1120-Y1828 HydrophobicContact CE2-CD1 4.03Å; Y1120-Y1828 AromaticContact CE2-CE1 3.22Å; Y1120-Y1828 HydrophobicContact CE2-CE1 3.22Å; Y1120-Y1828 AromaticContact CE2-CZ 3.91Å |
| 1121 | Y | 89.6 | Confident | 87.2 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 45% | 0.451 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.8 | -55.7 | 168.2 | 176.4 | -105.8 | 0 | 0 | 0 | 112 | P1117 F1118 E1119 M1123 V1124 M1125 | P1117-Y1121 PolarHBondContact O-N 3.33Å; P1117-Y1121 VanDerWaalsContact O-N 3.09Å; F1118-Y1121 PolarHBondContact O-N 3.05Å; E1119-Y1121 PolarHBondContact O-N 3.27Å; Y1121-M1123 PolarHBondContact O-N 2.81Å; Y1121-V1124 PolarHBondContact O-N 3.01Å; Y1121-M1125 HydrophobicContact CD1-CG 4.5Å; Y1121-M1125 HydrophobicContact CD2-CE 4.39Å; Y1121-M1125 HydrophobicContact CD2-CG 4.49Å; Y1121-M1125 HydrophobicContact CE1-CG 4.08Å; Y1121-M1125 HydrophobicContact CE2-CE 3.93Å; Y1121-M1125 HydrophobicContact CE2-CG 4.06Å; Y1121-M1125 HydrophobicContact CE2-SD 4.05Å; Y1121-M1125 WeakPolarHBondContact O-CG 3.25Å; Y1121-M1125 PolarHBondContact O-N 3.48Å |
| 1122 | I | 88.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 179.9 | -66.6 | -56 | 0 | 0 | 0 | 112.3 | F1118 E1119 V1124 M1125 I1126 F1175 E1178 | F1118-I1122 HydrophobicContact CD1-CG1 4.5Å; F1118-I1122 HydrophobicContact CE1-CG1 4.24Å; F1118-I1122 HydrophobicContact CZ-CD1 4.46Å; F1118-I1122 HydrophobicContact CZ-CG1 4.32Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.09Å; F1118-I1122 PolarHBondContact O-N 2.72Å; E1119-I1122 PolarHBondContact O-N 3.07Å; E1119-I1122 VanDerWaalsContact O-N 3.15Å; I1122-V1124 PolarHBondContact O-N 2.95Å; I1122-M1125 WeakPolarHBondContact O-CB 3.39Å; I1122-M1125 PolarHBondContact O-N 3.26Å; I1122-M1125 VanDerWaalsContact O-N 3.16Å; I1122-I1126 HydrophobicContact CG2-CD1 3.82Å; I1122-I1126 HydrophobicContact CG2-CG1 4.45Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.47Å; I1122-I1126 PolarHBondContact O-N 3.33Å; I1122-F1175 HydrophobicContact CG2-CE1 4.45Å; I1122-E1178 HydrophobicContact CD1-CB 3.9Å; I1122-E1178 HydrophobicContact CD1-CG 3.68Å; I1122-E1178 HydrophobicContact CG1-CG 3.97Å; I1122-E1178 WeakPolarHBondContact CG2-OE1 3.32Å; I1122-E1178 WeakPolarHBondContact CG2-OE2 3.42Å |
| 1123 | M | 84.2 | Confident | 87 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 23% | 0.232 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.9 | -171.3 | -168.3 | -44.2 | 0 | 0 | 111.8 | E1119 Y1120 Y1121 I1126 A1127 L1238 Q1241 | E1119-M1123 WeakPolarHBondContact O-CB 3.41Å; E1119-M1123 PolarHBondContact O-N 3.4Å; Y1120-M1123 HydrophobicContact CD1-CE 3.42Å; Y1120-M1123 VanDerWaalsContact CD1-CE 3.42Å; Y1120-M1123 HydrophobicContact CD1-SD 3.87Å; Y1120-M1123 HydrophobicContact CE1-CE 3.49Å; Y1120-M1123 VanDerWaalsContact CE1-CE 3.49Å; Y1120-M1123 HydrophobicContact CE1-SD 3.99Å; Y1120-M1123 HydrophobicContact CG-CE 4.41Å; Y1121-M1123 PolarHBondContact O-N 2.81Å; M1123-I1126 PolarHBondContact O-N 3.44Å; M1123-A1127 WeakPolarHBondContact O-CB 3.19Å; M1123-A1127 PolarHBondContact O-N 2.81Å; M1123-L1238 HydrophobicContact CG-CD2 3.74Å; M1123-Q1241 HydrophobicContact CE-CB 4.07Å; M1123-Q1241 HydrophobicContact CE-CG 3.47Å; M1123-Q1241 VanDerWaalsContact CE-CG 3.47Å; M1123-Q1241 HydrophobicContact SD-CG 4.37Å |
| 1124 | V | 88.3 | Confident | 87 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 173 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | Y1120 Y1121 I1122 I1126 A1127 I1128 | Y1120-V1124 VanDerWaalsContact O-CB 3.29Å; Y1120-V1124 WeakPolarHBondContact O-CB 3.43Å; Y1120-V1124 WeakPolarHBondContact O-CG2 3.36Å; Y1120-V1124 PolarHBondContact O-N 3.29Å; Y1121-V1124 PolarHBondContact O-N 3.01Å; I1122-V1124 PolarHBondContact O-N 2.95Å; V1124-I1126 PolarHBondContact O-N 3.23Å; V1124-A1127 PolarHBondContact O-N 3.44Å; V1124-I1128 HydrophobicContact CG1-CD1 3.7Å; V1124-I1128 HydrophobicContact CG1-CG1 4.35Å; V1124-I1128 VanDerWaalsContact O-CG1 3.28Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.43Å; V1124-I1128 PolarHBondContact O-N 2.92Å |
| 1125 | M | 88.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 172.8 | -66.9 | -58.1 | 97.9 | 0 | 0 | 112.1 | Y1121 I1122 I1128 N1129 F1171 M1174 F1175 | Y1121-M1125 HydrophobicContact CD1-CG 4.5Å; Y1121-M1125 HydrophobicContact CD2-CE 4.39Å; Y1121-M1125 HydrophobicContact CD2-CG 4.49Å; Y1121-M1125 HydrophobicContact CE1-CG 4.08Å; Y1121-M1125 HydrophobicContact CE2-CE 3.93Å; Y1121-M1125 HydrophobicContact CE2-CG 4.06Å; Y1121-M1125 HydrophobicContact CE2-SD 4.05Å; Y1121-M1125 WeakPolarHBondContact O-CG 3.25Å; Y1121-M1125 PolarHBondContact O-N 3.48Å; I1122-M1125 WeakPolarHBondContact O-CB 3.39Å; I1122-M1125 PolarHBondContact O-N 3.26Å; I1122-M1125 VanDerWaalsContact O-N 3.16Å; M1125-I1128 HydrophobicContact CE-CD1 4.02Å; M1125-I1128 PolarHBondContact O-N 2.79Å; M1125-N1129 VanDerWaalsContact O-CB 3.32Å; M1125-N1129 WeakPolarHBondContact O-CB 3.43Å; M1125-N1129 PolarHBondContact O-N 3.49Å; M1125-F1171 HydrophobicContact CB-CD1 4.39Å; M1125-F1171 HydrophobicContact CB-CE1 4.07Å; M1125-F1171 VanDerWaalsContact O-CE1 3.3Å; M1125-F1171 WeakPolarHBondContact O-CE1 3.31Å; M1125-F1171 HydrophobicContact SD-CE1 3.91Å; M1125-M1174 HydrophobicContact SD-CE 3.8Å; M1125-M1174 HydrophobicContact SD-SD 4.03Å; M1125-F1175 HydrophobicContact CB-CE1 4.12Å; M1125-F1175 HydrophobicContact CB-CZ 4.13Å |
| 1126 | I | 88.4 | Confident | 87 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.4 | -62.9 | 155.4 | 0 | 0 | 0 | 110.8 | I1122 M1123 V1124 N1129 T1130 F1175 K1237 L1238 | I1122-I1126 HydrophobicContact CG2-CD1 3.82Å; I1122-I1126 HydrophobicContact CG2-CG1 4.45Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.47Å; I1122-I1126 PolarHBondContact O-N 3.33Å; M1123-I1126 PolarHBondContact O-N 3.44Å; V1124-I1126 PolarHBondContact O-N 3.23Å; I1126-N1129 PolarHBondContact O-N 3.47Å; I1126-T1130 WeakPolarHBondContact O-CB 3.09Å; I1126-T1130 PolarHBondContact O-N 3.4Å; I1126-T1130 PolarHBondContact O-OG1 2.64Å; I1126-F1175 HydrophobicContact CB-CZ 4.49Å; I1126-F1175 HydrophobicContact CG1-CE1 3.69Å; I1126-F1175 HydrophobicContact CG1-CZ 3.71Å; I1126-K1237 HydrophobicContact CD1-CB 3.77Å; I1126-K1237 HydrophobicContact CD1-CD 4.19Å; I1126-L1238 HydrophobicContact CB-CD2 3.9Å; I1126-L1238 HydrophobicContact CB-CG 4.43Å; I1126-L1238 HydrophobicContact CD1-CD2 4.27Å; I1126-L1238 HydrophobicContact CG2-CD1 4.24Å; I1126-L1238 HydrophobicContact CG2-CD2 3.76Å; I1126-L1238 HydrophobicContact CG2-CG 3.73Å |
| 1127 | A | 86.6 | Confident | 87.1 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M1123 V1124 T1130 L1131 | M1123-A1127 WeakPolarHBondContact O-CB 3.19Å; M1123-A1127 PolarHBondContact O-N 2.81Å; V1124-A1127 PolarHBondContact O-N 3.44Å; A1127-T1130 WeakPolarHBondContact O-CB 3.33Å; A1127-T1130 PolarHBondContact O-N 3.12Å; A1127-L1131 WeakPolarHBondContact O-CG 3.2Å; A1127-L1131 PolarHBondContact O-N 3.13Å |
| 1128 | I | 89.7 | Confident | 86.7 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 35% | 0.354 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.4 | -42.9 | 177.3 | -63.9 | 167 | 0 | 0 | 0 | 111.2 | V1124 M1125 T1130 L1131 I1132 F1171 | V1124-I1128 HydrophobicContact CG1-CD1 3.7Å; V1124-I1128 HydrophobicContact CG1-CG1 4.35Å; V1124-I1128 VanDerWaalsContact O-CG1 3.28Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.43Å; V1124-I1128 PolarHBondContact O-N 2.92Å; M1125-I1128 HydrophobicContact CE-CD1 4.02Å; M1125-I1128 PolarHBondContact O-N 2.79Å; I1128-T1130 PolarHBondContact O-N 2.87Å; I1128-L1131 PolarHBondContact O-N 3.19Å; I1128-I1132 HydrophobicContact CG2-CD1 3.87Å; I1128-I1132 WeakPolarHBondContact O-CG1 3.19Å; I1128-I1132 PolarHBondContact O-N 3.33Å; I1128-F1171 HydrophobicContact CB-CZ 4.1Å; I1128-F1171 HydrophobicContact CG2-CE2 4.33Å; I1128-F1171 HydrophobicContact CG2-CZ 3.66Å |
| 1129 | N | 86.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.9 | -39.3 | 170.8 | -177.5 | 128.2 | 0 | 0 | 0 | 110.8 | M1125 I1126 I1132 L1133 F1171 F1175 R1234 | M1125-N1129 VanDerWaalsContact O-CB 3.32Å; M1125-N1129 WeakPolarHBondContact O-CB 3.43Å; M1125-N1129 PolarHBondContact O-N 3.49Å; I1126-N1129 PolarHBondContact O-N 3.47Å; N1129-I1132 PolarHBondContact O-N 2.89Å; N1129-L1133 WeakPolarHBondContact O-CG 3.33Å; N1129-L1133 PolarHBondContact O-N 3.06Å; N1129-L1133 VanDerWaalsContact O-N 3.12Å; N1129-F1171 HydrophobicContact CB-CD1 3.95Å; N1129-F1171 HydrophobicContact CB-CD2 4.3Å; N1129-F1171 HydrophobicContact CB-CE1 4.29Å; N1129-F1171 HydrophobicContact CB-CG 3.99Å; N1129-F1171 WeakPolarHBondContact OD1-CB 3.17Å; N1129-F1175 HydrophobicContact CB-CE2 4.47Å; N1129-R1234 PolarHBondContact OD1-NH1 3.37Å |
| 1130 | T | 86.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -45.5 | -179.9 | -55 | 0 | 0 | 0 | 0 | 111.4 | I140 I1126 A1127 I1128 I1132 L1133 M1134 L1235 | I140-T1130 HydrophobicContact CD1-CG2 4.04Å; I1126-T1130 WeakPolarHBondContact O-CB 3.09Å; I1126-T1130 PolarHBondContact O-N 3.4Å; I1126-T1130 PolarHBondContact O-OG1 2.64Å; A1127-T1130 WeakPolarHBondContact O-CB 3.33Å; A1127-T1130 PolarHBondContact O-N 3.12Å; I1128-T1130 PolarHBondContact O-N 2.87Å; T1130-I1132 PolarHBondContact O-N 3.22Å; T1130-L1133 PolarHBondContact O-N 3.37Å; T1130-L1133 VanDerWaalsContact O-N 3.14Å; T1130-M1134 HydrophobicContact CG2-CE 4.01Å; T1130-M1134 HydrophobicContact CG2-SD 4.41Å; T1130-M1134 WeakPolarHBondContact O-CG 3.1Å; T1130-M1134 PolarHBondContact O-N 3.44Å; T1130-L1235 HydrophobicContact CG2-CD1 3.88Å; T1130-L1235 HydrophobicContact CG2-CD2 3.96Å; T1130-L1235 HydrophobicContact CG2-CG 4.46Å |
| 1131 | L | 87.1 | Confident | 83.5 | Confident | 103 Ų | 103 | 54 Ų | 54 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -36.6 | 174.1 | -69 | 170.2 | 0 | 0 | 0 | 112 | A1127 I1128 M1134 M1135 | A1127-L1131 WeakPolarHBondContact O-CG 3.2Å; A1127-L1131 PolarHBondContact O-N 3.13Å; I1128-L1131 PolarHBondContact O-N 3.19Å; L1131-M1134 HydrophobicContact CD2-SD 4.06Å; L1131-M1134 WeakPolarHBondContact O-CB 3.23Å; L1131-M1134 PolarHBondContact O-N 3.21Å; L1131-M1135 WeakPolarHBondContact O-CG 3.46Å; L1131-M1135 PolarHBondContact O-N 3.03Å; L1131-M1135 VanDerWaalsContact O-N 3.08Å |
| 1132 | I | 87.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.2 | -33.1 | 177.6 | -70.1 | 164.2 | 0 | 0 | 0 | 112.2 | I1128 N1129 T1130 M1135 L1164 F1167 F1171 | I1128-I1132 HydrophobicContact CG2-CD1 3.87Å; I1128-I1132 WeakPolarHBondContact O-CG1 3.19Å; I1128-I1132 PolarHBondContact O-N 3.33Å; N1129-I1132 PolarHBondContact O-N 2.89Å; T1130-I1132 PolarHBondContact O-N 3.22Å; I1132-M1135 PolarHBondContact O-N 3.13Å; I1132-L1164 HydrophobicContact CG2-CG 4.35Å; I1132-F1167 HydrophobicContact CD1-CB 4.22Å; I1132-F1167 HydrophobicContact CD1-CG 4.38Å; I1132-F1167 HydrophobicContact CG2-CB 4.29Å; I1132-F1171 HydrophobicContact CD1-CD2 4.36Å; I1132-F1171 HydrophobicContact CD1-CE2 3.52Å; I1132-F1171 HydrophobicContact CD1-CZ 4.23Å |
| 1133 | L | 85.1 | Confident | 79.7 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 170.1 | -66.5 | 173.3 | 0 | 0 | 0 | 111.6 | I140 N1129 T1130 M1135 K1136 R1231 | I140-L1133 HydrophobicContact CG2-CB 4.24Å; I140-L1133 HydrophobicContact CG2-CD1 4.34Å; N1129-L1133 WeakPolarHBondContact O-CG 3.33Å; N1129-L1133 PolarHBondContact O-N 3.06Å; N1129-L1133 VanDerWaalsContact O-N 3.12Å; T1130-L1133 PolarHBondContact O-N 3.37Å; T1130-L1133 VanDerWaalsContact O-N 3.14Å; L1133-M1135 PolarHBondContact O-N 3.1Å; L1133-K1136 PolarHBondContact O-N 3.09Å; L1133-R1231 HydrophobicContact CD1-CB 4.28Å; L1133-R1231 HydrophobicContact CD2-CB 4.19Å |
| 1134 | M | 86.3 | Confident | 77.7 | Confident | 41 Ų | 41 | 63 Ų | 63 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -21.2 | 175.4 | -65.3 | 169.9 | 161.5 | 0 | 0 | 113.8 | I136 I140 I219 T1130 L1131 K1136 | I136-M1134 HydrophobicContact CB-CE 4.34Å; I136-M1134 HydrophobicContact CD1-CE 4.04Å; I136-M1134 HydrophobicContact CG1-CE 4.07Å; I136-M1134 HydrophobicContact CG2-CE 3.33Å; I140-M1134 HydrophobicContact CD1-CE 4.36Å; I140-M1134 HydrophobicContact CD1-CG 4.07Å; I140-M1134 HydrophobicContact CG1-CG 4.42Å; I219-M1134 HydrophobicContact CB-CB 4.34Å; I219-M1134 HydrophobicContact CD1-CG 4.26Å; I219-M1134 HydrophobicContact CG1-CB 4.13Å; I219-M1134 HydrophobicContact CG1-CG 4Å; I219-M1134 HydrophobicContact CG2-CB 4.31Å; I219-M1134 WeakPolarHBondContact CG2-O 3.25Å; T1130-M1134 HydrophobicContact CG2-CE 4.01Å; T1130-M1134 HydrophobicContact CG2-SD 4.41Å; T1130-M1134 WeakPolarHBondContact O-CG 3.1Å; T1130-M1134 PolarHBondContact O-N 3.44Å; L1131-M1134 HydrophobicContact CD2-SD 4.06Å; L1131-M1134 WeakPolarHBondContact O-CB 3.23Å; L1131-M1134 PolarHBondContact O-N 3.21Å; M1134-K1136 VanDerWaalsContact C-N 3.32Å |
| 1135 | M | 87.1 | Confident | 75.6 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.5 | 179.6 | -79.3 | 175.9 | 68 | 0 | 0 | 113.9 | L1131 I1132 L1133 Y1137 Y1160 L1164 | L1131-M1135 WeakPolarHBondContact O-CG 3.46Å; L1131-M1135 PolarHBondContact O-N 3.03Å; L1131-M1135 VanDerWaalsContact O-N 3.08Å; I1132-M1135 PolarHBondContact O-N 3.13Å; L1133-M1135 PolarHBondContact O-N 3.1Å; M1135-Y1137 PolarHBondContact O-N 2.8Å; M1135-Y1160 HydrophobicContact CE-CE2 4.48Å; M1135-Y1160 PolarHBondContact O-OH 3.22Å; M1135-L1164 HydrophobicContact CB-CD2 4.35Å |
| 1136 | K | 85.1 | Confident | 73.5 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 23% | 0.226 | 35% | 0.352 | C | S | . | . | trans | -61.7 | 130.4 | 174.1 | -176.9 | -175.4 | 174.3 | -164.8 | 0 | 110.1 | L143 E144 L1133 M1134 | L143-K1136 HydrophobicContact CD2-CB 4.29Å; L143-K1136 HydrophobicContact CG-CB 4.48Å; L143-K1136 HydrophobicContact CG-CD 4.29Å; L143-K1136 PolarHBondContact O-NZ 3.04Å; E144-K1136 IonicContact OE2-NZ 3.93Å; E144-K1136 PolarHBondContact OE2-NZ 2.97Å; L1133-K1136 PolarHBondContact O-N 3.09Å; M1134-K1136 VanDerWaalsContact C-N 3.32Å | ||
| 1137 | Y | 86.7 | Confident | 71.2 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 37% | 0.373 | 38% | 0.382 | S | S | . | . | trans | -139.1 | 151.9 | 172.3 | 73.2 | -83.3 | 0 | 0 | 0 | 110.6 | D217 M1135 R1139 Y1157 Y1160 | D217-Y1137 CarbonylContact O-C 3.22Å; D217-Y1137 WeakPolarHBondContact O-CA 3.26Å; M1135-Y1137 PolarHBondContact O-N 2.8Å; Y1137-R1139 HydrophobicContact CE2-CB 4.31Å; Y1137-Y1157 HydrophobicContact CD2-CE2 4.45Å; Y1137-Y1157 HydrophobicContact CE1-CE2 4.48Å; Y1137-Y1157 HydrophobicContact CE2-CD2 4.12Å; Y1137-Y1157 AromaticContact CE2-CE2 3.99Å; Y1137-Y1157 HydrophobicContact CE2-CE2 3.99Å; Y1137-Y1157 AromaticContact CZ-CD2 3.87Å; Y1137-Y1157 PolarHBondContact O-OH 3.21Å; Y1137-Y1157 VanDerWaalsContact O-OH 3.14Å; Y1137-Y1160 AromaticContact CD1-CE1 3.88Å; Y1137-Y1160 HydrophobicContact CD1-CE1 3.88Å; Y1137-Y1160 AromaticContact CE1-CD1 3.97Å; Y1137-Y1160 HydrophobicContact CE1-CD1 3.97Å; Y1137-Y1160 AromaticContact CE1-CE1 3.51Å; Y1137-Y1160 HydrophobicContact CE1-CE1 3.51Å; Y1137-Y1160 AromaticContact CE1-CZ 3.92Å | ||
| 1138 | H | 80.3 | Confident | 69.4 | Low | 56 Ų | 56 | 83.1 Ų | 83.1 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | trans | -82.3 | 135.9 | 170.9 | -175.9 | 75.4 | 0 | 0 | 0 | 110.9 | G148 H151 D217 | G148-H1138 WeakPolarHBondContact CA-ND1 3.48Å; H151-H1138 AromaticContact CD2-CD2 3.35Å; H151-H1138 PolarHBondContact CD2-CD2 2.94Å; H151-H1138 AromaticContact CD2-NE2 3.43Å; H151-H1138 PolarHBondContact CD2-NE2 2.93Å; H151-H1138 AromaticContact NE2-CD2 3.42Å; H151-H1138 PolarHBondContact NE2-CD2 3.22Å; H151-H1138 AromaticContact NE2-NE2 4Å; D217-H1138 HydrophobicContact CB-CB 3.88Å; D217-H1138 PolarHBondContact O-N 3.12Å | ||
| 1139 | R | 72.3 | Confident | 67.5 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | trans | -109.3 | 123.7 | 164.2 | 179.2 | -178.9 | 176.5 | 123.9 | 5.3 | 108.6 | Y1137 E1141 E1153 Y1157 | Y1137-R1139 HydrophobicContact CE2-CB 4.31Å; R1139-E1141 PolarHBondContact O-N 3.04Å; R1139-E1153 IonicContact CZ-OE2 3.58Å; R1139-E1153 IonicContact NH1-OE2 2.75Å; R1139-E1153 PolarHBondContact NH1-OE2 2.9Å; R1139-E1153 IonicContact NH2-OE2 2.07Å; R1139-E1153 PolarHBondContact NH2-OE2 3.07Å; R1139-Y1157 HydrophobicContact CB-CD1 4.2Å; R1139-Y1157 HydrophobicContact CB-CD2 3.71Å; R1139-Y1157 HydrophobicContact CB-CE1 4.13Å; R1139-Y1157 HydrophobicContact CB-CE2 3.63Å; R1139-Y1157 HydrophobicContact CB-CG 4Å | ||
| 1140 | Q | 63 | Low | 65.9 | Low | 88 Ų | 88 | 88.9 Ų | 88.9 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | trans | -62.3 | 122.3 | 173.7 | -164.9 | 176.8 | 21.6 | 0 | 0 | 109.8 | G204 Q1142 | G204-Q1140 PolarHBondContact O-NE2 2.74Å; Q1140-Q1142 PolarHBondContact O-N 3.31Å; Q1140-Q1142 VanDerWaalsContact O-N 3.09Å | ||
| 1141 | E | 56.3 | Low | 64.5 | Low | 93 Ų | 93 | 92.4 Ų | 92.4 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | trans | -76.8 | 95.7 | 177.7 | -68.8 | -162.6 | 135.3 | 0 | 0 | 110.4 | R1139 K1143 Q1154 | R1139-E1141 PolarHBondContact O-N 3.04Å; E1141-K1143 PolarHBondContact O-N 3.06Å; E1141-K1143 VanDerWaalsContact OE2-CE 3.31Å; E1141-K1143 WeakPolarHBondContact OE2-CE 3.15Å; E1141-K1143 IonicContact OE2-NZ 2.69Å; E1141-K1143 PolarHBondContact OE2-NZ 3.08Å; E1141-Q1154 PolarHBondContact OE1-NE2 3.01Å | ||
| 1142 | Q | 50.3 | Low | 63.6 | Low | 156 Ų | 156 | 92.9 Ų | 92.9 | 73% | 0.729 | 48% | 0.477 | S | S | * | . | trans | -70.3 | 74.8 | 170.3 | -167.6 | 177.5 | 13.4 | 0 | 0 | 110.5 | Q1140 T1144 | Q1140-Q1142 PolarHBondContact O-N 3.31Å; Q1140-Q1142 VanDerWaalsContact O-N 3.09Å; Q1142-T1144 VanDerWaalsContact C-N 3.32Å; Q1142-T1144 PolarHBondContact O-N 3.11Å | ||
| 1143 | K | 48.4 | Very low | 62.5 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | trans | -67.8 | 88.9 | 173.4 | -84.5 | 167 | 169.7 | 145.9 | 0 | 109.8 | Y205 E1141 Y1145 | Y205-K1143 PolarHBondContact OH-O 3.47Å; Y205-K1143 VanDerWaalsContact OH-O 3.12Å; E1141-K1143 PolarHBondContact O-N 3.06Å; E1141-K1143 VanDerWaalsContact OE2-CE 3.31Å; E1141-K1143 WeakPolarHBondContact OE2-CE 3.15Å; E1141-K1143 IonicContact OE2-NZ 2.69Å; E1141-K1143 PolarHBondContact OE2-NZ 3.08Å; K1143-Y1145 PolarHBondContact O-N 3.32Å | ||
| 1144 | T | 41.3 | Very low | 61.6 | Low | 84 Ų | 84 | 99.8 Ų | 99.8 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | trans | -68.6 | 112.5 | 167.8 | 32 | 0 | 0 | 0 | 0 | 109.3 | Q1142 F1146 | Q1142-T1144 VanDerWaalsContact C-N 3.32Å; Q1142-T1144 PolarHBondContact O-N 3.11Å; T1144-F1146 PolarHBondContact O-N 2.66Å | ||
| 1145 | Y | 44.3 | Very low | 60.9 | Low | 175 Ų | 175 | 102.9 Ų | 102.9 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -74.3 | 29.8 | -179.3 | -53 | -74.3 | 0 | 0 | 0 | 113.8 | Y205 K1143 | Y205-Y1145 HydrophobicContact CE2-CE2 4.44Å; Y205-Y1145 WeakPolarHBondContact OH-CE2 2.96Å; Y205-Y1145 VanDerWaalsContact OH-CZ 3.31Å; Y205-Y1145 PolarHBondContact OH-OH 2.97Å; Y205-Y1145 VanDerWaalsContact OH-OH 3.07Å; K1143-Y1145 PolarHBondContact O-N 3.32Å |
| 1146 | F | 44 | Very low | 60.5 | Low | 174 Ų | 174 | 100.8 Ų | 100.8 | 76% | 0.763 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -154.2 | 133.1 | -177.4 | -152.3 | -118.9 | 0 | 0 | 0 | 113.7 | T1144 | T1144-F1146 PolarHBondContact O-N 2.66Š|
| 1147 | T | 41.4 | Very low | 60.2 | Low | 109 Ų | 109 | 100.4 Ų | 100.4 | 67% | 0.669 | 52% | 0.518 | S | S | * | . | trans | 68.9 | 145.6 | 179.7 | 72.7 | 0 | 0 | 0 | 0 | 117.3 | S1149 | T1147-S1149 PolarHBondContact O-N 2.81Š| ||
| 1148 | A | 48 | Very low | 59.6 | Low | 111 Ų | 111 | 101.3 Ų | 101.3 | 92% | 0.917 | 53% | 0.526 | S | S | * | . | trans | -100.3 | 52.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1149 | S | 50.8 | Low | 59.8 | Low | 76 Ų | 76 | 102.7 Ų | 102.7 | 53% | 0.531 | 54% | 0.535 | S | S | . | . | trans | -80.4 | 133.5 | 164.2 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | T1147 D1151 | T1147-S1149 PolarHBondContact O-N 2.81Å; S1149-D1151 PolarHBondContact O-N 3.06Å | ||
| 1150 | V | 52.7 | Low | 60.4 | Low | 116 Ų | 116 | 102 Ų | 102 | 70% | 0.703 | 53% | 0.533 | S | S | * | . | trans | -76.6 | 110 | 168.3 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | T1152 | V1150-T1152 PolarHBondContact O-N 3.44Š| ||
| 1151 | D | 57.4 | Low | 61.3 | Low | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | trans | -67.7 | 103.1 | 177.6 | -67.1 | -36.1 | 0 | 0 | 0 | 110.4 | S1149 E1153 Q1154 Q1155 | S1149-D1151 PolarHBondContact O-N 3.06Å; D1151-E1153 PolarHBondContact O-N 3.43Å; D1151-Q1154 HydrophobicContact CB-CB 4.14Å; D1151-Q1154 PolarHBondContact O-N 2.96Å; D1151-Q1155 PolarHBondContact O-N 3.48Å; D1151-Q1155 VanDerWaalsContact O-N 3.09Å | ||
| 1152 | T | 66.9 | Low | 62.6 | Low | 114 Ų | 114 | 98.4 Ų | 98.4 | 70% | 0.699 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -49.2 | -33.3 | 179.4 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | V1150 A1156 | V1150-T1152 PolarHBondContact O-N 3.44Å; T1152-A1156 WeakPolarHBondContact O-CB 3.2Å; T1152-A1156 PolarHBondContact O-N 3.47Å |
| 1153 | E | 65.2 | Low | 64.3 | Low | 118 Ų | 118 | 94 Ų | 94 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -76 | -35.4 | 178.5 | -57.5 | -158.7 | 167.2 | 0 | 0 | 114.5 | R1139 D1151 Q1155 A1156 Y1157 | R1139-E1153 IonicContact CZ-OE2 3.58Å; R1139-E1153 IonicContact NH1-OE2 2.75Å; R1139-E1153 PolarHBondContact NH1-OE2 2.9Å; R1139-E1153 IonicContact NH2-OE2 2.07Å; R1139-E1153 PolarHBondContact NH2-OE2 3.07Å; D1151-E1153 PolarHBondContact O-N 3.43Å; E1153-Q1155 VanDerWaalsContact C-N 3.3Å; E1153-A1156 WeakPolarHBondContact O-CB 3.31Å; E1153-A1156 PolarHBondContact O-N 3.07Å; E1153-A1156 VanDerWaalsContact O-N 3.16Å; E1153-Y1157 PolarHBondContact O-N 2.92Å |
| 1154 | Q | 66.6 | Low | 66 | Low | 55 Ų | 55 | 89.2 Ų | 89.2 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 174.6 | -174.4 | 64.3 | -6 | 0 | 0 | 109.8 | E1141 D1151 A1156 Y1157 H1158 | E1141-Q1154 PolarHBondContact OE1-NE2 3.01Å; D1151-Q1154 HydrophobicContact CB-CB 4.14Å; D1151-Q1154 PolarHBondContact O-N 2.96Å; Q1154-A1156 VanDerWaalsContact C-N 3.32Å; Q1154-A1156 PolarHBondContact O-N 2.99Å; Q1154-Y1157 PolarHBondContact O-N 3.1Å; Q1154-H1158 WeakPolarHBondContact O-CB 3.25Å; Q1154-H1158 PolarHBondContact O-N 3.1Å |
| 1155 | Q | 71.2 | Confident | 67.8 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 168.5 | -164.8 | 178.3 | 17 | 0 | 0 | 111.7 | D1151 E1153 H1158 N1159 | D1151-Q1155 PolarHBondContact O-N 3.48Å; D1151-Q1155 VanDerWaalsContact O-N 3.09Å; E1153-Q1155 VanDerWaalsContact C-N 3.3Å; Q1155-H1158 PolarHBondContact O-N 3.24Å; Q1155-N1159 VanDerWaalsContact O-CB 3.3Å; Q1155-N1159 WeakPolarHBondContact O-CB 3.4Å; Q1155-N1159 PolarHBondContact O-N 2.94Å; Q1155-N1159 PolarHBondContact O-ND2 3.5Å |
| 1156 | A | 78.1 | Confident | 69.8 | Low | 54 Ų | 54 | 87.3 Ų | 87.3 | 45% | 0.446 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1152 E1153 Q1154 N1159 Y1160 | T1152-A1156 WeakPolarHBondContact O-CB 3.2Å; T1152-A1156 PolarHBondContact O-N 3.47Å; E1153-A1156 WeakPolarHBondContact O-CB 3.31Å; E1153-A1156 PolarHBondContact O-N 3.07Å; E1153-A1156 VanDerWaalsContact O-N 3.16Å; Q1154-A1156 VanDerWaalsContact C-N 3.32Å; Q1154-A1156 PolarHBondContact O-N 2.99Å; A1156-N1159 PolarHBondContact O-N 2.79Å; A1156-Y1160 WeakPolarHBondContact O-CB 3.37Å; A1156-Y1160 PolarHBondContact O-N 2.94Å |
| 1157 | Y | 78.2 | Confident | 71.9 | Confident | 43 Ų | 43 | 84.1 Ų | 84.1 | 17% | 0.169 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 174.3 | 177.1 | -104.3 | 0 | 0 | 0 | 112.2 | Y1137 R1139 E1153 Q1154 Y1160 C1161 | Y1137-Y1157 HydrophobicContact CD2-CE2 4.45Å; Y1137-Y1157 HydrophobicContact CE1-CE2 4.48Å; Y1137-Y1157 HydrophobicContact CE2-CD2 4.12Å; Y1137-Y1157 AromaticContact CE2-CE2 3.99Å; Y1137-Y1157 HydrophobicContact CE2-CE2 3.99Å; Y1137-Y1157 AromaticContact CZ-CD2 3.87Å; Y1137-Y1157 PolarHBondContact O-OH 3.21Å; Y1137-Y1157 VanDerWaalsContact O-OH 3.14Å; R1139-Y1157 HydrophobicContact CB-CD1 4.2Å; R1139-Y1157 HydrophobicContact CB-CD2 3.71Å; R1139-Y1157 HydrophobicContact CB-CE1 4.13Å; R1139-Y1157 HydrophobicContact CB-CE2 3.63Å; R1139-Y1157 HydrophobicContact CB-CG 4Å; E1153-Y1157 PolarHBondContact O-N 2.92Å; Q1154-Y1157 PolarHBondContact O-N 3.1Å; Y1157-Y1160 WeakPolarHBondContact O-CB 3.33Å; Y1157-Y1160 PolarHBondContact O-N 3.04Å; Y1157-C1161 PolarHBondContact O-N 3.22Å; Y1157-C1161 PolarHBondContact O-SG 3.44Å |
| 1158 | H | 74.9 | Confident | 73.9 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.4 | -163.8 | -44.6 | 0 | 0 | 0 | 111.9 | Q1154 Q1155 Y1160 C1161 N1162 | Q1154-H1158 WeakPolarHBondContact O-CB 3.25Å; Q1154-H1158 PolarHBondContact O-N 3.1Å; Q1155-H1158 PolarHBondContact O-N 3.24Å; H1158-Y1160 VanDerWaalsContact C-N 3.32Å; H1158-Y1160 PolarHBondContact O-N 2.97Å; H1158-C1161 PolarHBondContact O-N 3.11Å; H1158-N1162 PolarHBondContact CE1-OD1 3.31Å; H1158-N1162 VanDerWaalsContact CE1-OD1 3.27Å; H1158-N1162 PolarHBondContact ND1-ND2 3Å; H1158-N1162 PolarHBondContact ND1-OD1 2.56Å; H1158-N1162 WeakPolarHBondContact O-CB 3.35Å; H1158-N1162 PolarHBondContact O-N 2.04Å; H1158-N1162 PolarHBondContact O-OD1 2.89Å |
| 1159 | N | 84 | Confident | 75.6 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 173.9 | -73.6 | -22.7 | 0 | 0 | 0 | 111.8 | Q1155 A1156 T1163 | Q1155-N1159 VanDerWaalsContact O-CB 3.3Å; Q1155-N1159 WeakPolarHBondContact O-CB 3.4Å; Q1155-N1159 PolarHBondContact O-N 2.94Å; Q1155-N1159 PolarHBondContact O-ND2 3.5Å; A1156-N1159 PolarHBondContact O-N 2.79Å; N1159-T1163 WeakPolarHBondContact O-CB 3.36Å; N1159-T1163 PolarHBondContact O-N 2.7Å; N1159-T1163 PolarHBondContact O-OG1 3.23Å |
| 1160 | Y | 85.9 | Confident | 77.4 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 173.6 | 179.1 | -95 | 0 | 0 | 0 | 111.5 | M1135 Y1137 A1156 Y1157 H1158 N1162 T1163 L1164 | M1135-Y1160 HydrophobicContact CE-CE2 4.48Å; M1135-Y1160 PolarHBondContact O-OH 3.22Å; Y1137-Y1160 AromaticContact CD1-CE1 3.88Å; Y1137-Y1160 HydrophobicContact CD1-CE1 3.88Å; Y1137-Y1160 AromaticContact CE1-CD1 3.97Å; Y1137-Y1160 HydrophobicContact CE1-CD1 3.97Å; Y1137-Y1160 AromaticContact CE1-CE1 3.51Å; Y1137-Y1160 HydrophobicContact CE1-CE1 3.51Å; Y1137-Y1160 AromaticContact CE1-CZ 3.92Å; A1156-Y1160 WeakPolarHBondContact O-CB 3.37Å; A1156-Y1160 PolarHBondContact O-N 2.94Å; Y1157-Y1160 WeakPolarHBondContact O-CB 3.33Å; Y1157-Y1160 PolarHBondContact O-N 3.04Å; H1158-Y1160 VanDerWaalsContact C-N 3.32Å; H1158-Y1160 PolarHBondContact O-N 2.97Å; Y1160-N1162 PolarHBondContact O-N 3.11Å; Y1160-T1163 WeakPolarHBondContact O-CA 3.23Å; Y1160-T1163 WeakPolarHBondContact O-CB 3.21Å; Y1160-T1163 PolarHBondContact O-N 3.2Å; Y1160-T1163 VanDerWaalsContact O-N 3.08Å; Y1160-L1164 HydrophobicContact CD1-CD1 4Å; Y1160-L1164 HydrophobicContact CD2-CD1 4.16Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.67Å; Y1160-L1164 HydrophobicContact CE1-CD2 3.99Å; Y1160-L1164 HydrophobicContact CE2-CD1 3.87Å; Y1160-L1164 HydrophobicContact CG-CD1 4.23Å; Y1160-L1164 WeakPolarHBondContact O-CD1 3.31Å; Y1160-L1164 PolarHBondContact O-N 3.22Å |
| 1161 | C | 81.1 | Confident | 79.2 | Confident | 50 Ų | 50 | 69 Ų | 69 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.9 | -66 | 0 | 0 | 0 | 0 | 112.1 | Y1157 H1158 T1163 L1164 L1165 | Y1157-C1161 PolarHBondContact O-N 3.22Å; Y1157-C1161 PolarHBondContact O-SG 3.44Å; H1158-C1161 PolarHBondContact O-N 3.11Å; C1161-T1163 VanDerWaalsContact C-N 3.3Å; C1161-T1163 PolarHBondContact O-N 2.9Å; C1161-L1164 PolarHBondContact O-N 3.42Å; C1161-L1165 PolarHBondContact O-N 2.79Å |
| 1162 | N | 82.9 | Confident | 80.6 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 173.3 | -70.3 | -5.7 | 0 | 0 | 0 | 111.6 | H1158 Y1160 L1165 Y1166 | H1158-N1162 PolarHBondContact CE1-OD1 3.31Å; H1158-N1162 VanDerWaalsContact CE1-OD1 3.27Å; H1158-N1162 PolarHBondContact ND1-ND2 3Å; H1158-N1162 PolarHBondContact ND1-OD1 2.56Å; H1158-N1162 WeakPolarHBondContact O-CB 3.35Å; H1158-N1162 PolarHBondContact O-N 2.04Å; H1158-N1162 PolarHBondContact O-OD1 2.89Å; Y1160-N1162 PolarHBondContact O-N 3.11Å; N1162-L1165 WeakPolarHBondContact O-CB 3.44Å; N1162-L1165 PolarHBondContact O-N 2.93Å; N1162-Y1166 HydrophobicContact CB-CE2 4.22Å; N1162-Y1166 WeakPolarHBondContact O-CD2 3.38Å; N1162-Y1166 PolarHBondContact O-N 3.07Å |
| 1163 | T | 86.9 | Confident | 81.6 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | N1159 Y1160 C1161 L1165 Y1166 F1167 | N1159-T1163 WeakPolarHBondContact O-CB 3.36Å; N1159-T1163 PolarHBondContact O-N 2.7Å; N1159-T1163 PolarHBondContact O-OG1 3.23Å; Y1160-T1163 WeakPolarHBondContact O-CA 3.23Å; Y1160-T1163 WeakPolarHBondContact O-CB 3.21Å; Y1160-T1163 PolarHBondContact O-N 3.2Å; Y1160-T1163 VanDerWaalsContact O-N 3.08Å; C1161-T1163 VanDerWaalsContact C-N 3.3Å; C1161-T1163 PolarHBondContact O-N 2.9Å; T1163-L1165 VanDerWaalsContact C-N 3.33Å; T1163-L1165 PolarHBondContact O-N 3.4Å; T1163-Y1166 PolarHBondContact O-N 3.29Å; T1163-F1167 HydrophobicContact CG2-CD2 3.94Å; T1163-F1167 HydrophobicContact CG2-CE2 3.58Å; T1163-F1167 HydrophobicContact CG2-CZ 4.5Å; T1163-F1167 WeakPolarHBondContact O-CD2 3.32Å; T1163-F1167 PolarHBondContact O-N 3.23Å |
| 1164 | L | 84.9 | Confident | 82.8 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 173.3 | -90.1 | 69 | 0 | 0 | 0 | 111.8 | I1132 M1135 Y1160 C1161 N1168 | I1132-L1164 HydrophobicContact CG2-CG 4.35Å; M1135-L1164 HydrophobicContact CB-CD2 4.35Å; Y1160-L1164 HydrophobicContact CD1-CD1 4Å; Y1160-L1164 HydrophobicContact CD2-CD1 4.16Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.67Å; Y1160-L1164 HydrophobicContact CE1-CD2 3.99Å; Y1160-L1164 HydrophobicContact CE2-CD1 3.87Å; Y1160-L1164 HydrophobicContact CG-CD1 4.23Å; Y1160-L1164 WeakPolarHBondContact O-CD1 3.31Å; Y1160-L1164 PolarHBondContact O-N 3.22Å; C1161-L1164 PolarHBondContact O-N 3.42Å; L1164-N1168 PolarHBondContact O-N 2.83Å; L1164-N1168 PolarHBondContact O-ND2 3.14Å |
| 1165 | L | 78.7 | Confident | 83.9 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.293 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 174.8 | -175.6 | 62.8 | 0 | 0 | 0 | 111.5 | C1161 N1162 T1163 F1167 N1168 S1169 | C1161-L1165 PolarHBondContact O-N 2.79Å; N1162-L1165 WeakPolarHBondContact O-CB 3.44Å; N1162-L1165 PolarHBondContact O-N 2.93Å; T1163-L1165 VanDerWaalsContact C-N 3.33Å; T1163-L1165 PolarHBondContact O-N 3.4Å; L1165-F1167 VanDerWaalsContact C-N 3.31Å; L1165-F1167 PolarHBondContact O-N 2.96Å; L1165-N1168 PolarHBondContact O-N 3.08Å; L1165-N1168 VanDerWaalsContact O-N 3.13Å; L1165-S1169 PolarHBondContact O-N 3.34Å; L1165-S1169 PolarHBondContact O-OG 2.9Å |
| 1166 | Y | 86 | Confident | 84.8 | Confident | 164 Ų | 164 | 55.5 Ų | 55.5 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.7 | -40.5 | 176.4 | -68.6 | -50.8 | 0 | 0 | 0 | 112.5 | N1162 T1163 S1169 A1170 | N1162-Y1166 HydrophobicContact CB-CE2 4.22Å; N1162-Y1166 WeakPolarHBondContact O-CD2 3.38Å; N1162-Y1166 PolarHBondContact O-N 3.07Å; T1163-Y1166 PolarHBondContact O-N 3.29Å; Y1166-S1169 PolarHBondContact O-N 3.05Å; Y1166-A1170 WeakPolarHBondContact O-CB 3.48Å; Y1166-A1170 PolarHBondContact O-N 3.29Å |
| 1167 | F | 88.2 | Confident | 85.4 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 173 | -76.9 | -53.8 | 0 | 0 | 0 | 112.1 | I1132 T1163 L1165 S1169 A1170 F1171 | I1132-F1167 HydrophobicContact CD1-CB 4.22Å; I1132-F1167 HydrophobicContact CD1-CG 4.38Å; I1132-F1167 HydrophobicContact CG2-CB 4.29Å; T1163-F1167 HydrophobicContact CG2-CD2 3.94Å; T1163-F1167 HydrophobicContact CG2-CE2 3.58Å; T1163-F1167 HydrophobicContact CG2-CZ 4.5Å; T1163-F1167 WeakPolarHBondContact O-CD2 3.32Å; T1163-F1167 PolarHBondContact O-N 3.23Å; L1165-F1167 VanDerWaalsContact C-N 3.31Å; L1165-F1167 PolarHBondContact O-N 2.96Å; F1167-S1169 VanDerWaalsContact C-N 3.3Å; F1167-S1169 PolarHBondContact O-N 3.24Å; F1167-A1170 WeakPolarHBondContact O-CB 3.1Å; F1167-A1170 PolarHBondContact O-N 3Å; F1167-A1170 VanDerWaalsContact O-N 3.1Å; F1167-F1171 WeakPolarHBondContact O-CD2 3.22Å; F1167-F1171 PolarHBondContact O-N 3.46Å |
| 1168 | N | 83 | Confident | 86 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 177.8 | -84 | -70.7 | 0 | 0 | 0 | 112.1 | L1164 L1165 F1171 T1172 | L1164-N1168 PolarHBondContact O-N 2.83Å; L1164-N1168 PolarHBondContact O-ND2 3.14Å; L1165-N1168 PolarHBondContact O-N 3.08Å; L1165-N1168 VanDerWaalsContact O-N 3.13Å; N1168-F1171 PolarHBondContact O-N 3.05Å; N1168-T1172 PolarHBondContact O-N 2.93Å; N1168-T1172 PolarHBondContact O-OG1 3.4Å |
| 1169 | S | 84 | Confident | 86.8 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 173.7 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | L1165 Y1166 F1167 F1171 T1172 V1173 | L1165-S1169 PolarHBondContact O-N 3.34Å; L1165-S1169 PolarHBondContact O-OG 2.9Å; Y1166-S1169 PolarHBondContact O-N 3.05Å; F1167-S1169 VanDerWaalsContact C-N 3.3Å; F1167-S1169 PolarHBondContact O-N 3.24Å; S1169-F1171 PolarHBondContact O-N 2.99Å; S1169-T1172 VanDerWaalsContact O-CB 3.32Å; S1169-T1172 WeakPolarHBondContact O-CB 3.3Å; S1169-T1172 PolarHBondContact O-N 3.01Å; S1169-T1172 VanDerWaalsContact O-N 3.15Å; S1169-V1173 PolarHBondContact O-N 2.87Å |
| 1170 | A | 88.9 | Confident | 87.1 | Confident | 47 Ų | 47 | 51 Ų | 51 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1166 F1167 T1172 V1173 M1174 | Y1166-A1170 WeakPolarHBondContact O-CB 3.48Å; Y1166-A1170 PolarHBondContact O-N 3.29Å; F1167-A1170 WeakPolarHBondContact O-CB 3.1Å; F1167-A1170 PolarHBondContact O-N 3Å; F1167-A1170 VanDerWaalsContact O-N 3.1Å; A1170-T1172 VanDerWaalsContact C-N 3.34Å; A1170-T1172 PolarHBondContact O-N 2.93Å; A1170-V1173 PolarHBondContact O-N 3.47Å; A1170-M1174 WeakPolarHBondContact O-CG 3.33Å; A1170-M1174 PolarHBondContact O-N 3.38Å |
| 1171 | F | 89.7 | Confident | 87.3 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 172 | -79.2 | -74.7 | 0 | 0 | 0 | 112.3 | M1125 I1128 N1129 I1132 F1167 N1168 S1169 V1173 M1174 F1175 | M1125-F1171 HydrophobicContact CB-CD1 4.39Å; M1125-F1171 HydrophobicContact CB-CE1 4.07Å; M1125-F1171 VanDerWaalsContact O-CE1 3.3Å; M1125-F1171 WeakPolarHBondContact O-CE1 3.31Å; M1125-F1171 HydrophobicContact SD-CE1 3.91Å; I1128-F1171 HydrophobicContact CB-CZ 4.1Å; I1128-F1171 HydrophobicContact CG2-CE2 4.33Å; I1128-F1171 HydrophobicContact CG2-CZ 3.66Å; N1129-F1171 HydrophobicContact CB-CD1 3.95Å; N1129-F1171 HydrophobicContact CB-CD2 4.3Å; N1129-F1171 HydrophobicContact CB-CE1 4.29Å; N1129-F1171 HydrophobicContact CB-CG 3.99Å; N1129-F1171 WeakPolarHBondContact OD1-CB 3.17Å; I1132-F1171 HydrophobicContact CD1-CD2 4.36Å; I1132-F1171 HydrophobicContact CD1-CE2 3.52Å; I1132-F1171 HydrophobicContact CD1-CZ 4.23Å; F1167-F1171 WeakPolarHBondContact O-CD2 3.22Å; F1167-F1171 PolarHBondContact O-N 3.46Å; N1168-F1171 PolarHBondContact O-N 3.05Å; S1169-F1171 PolarHBondContact O-N 2.99Å; F1171-V1173 VanDerWaalsContact C-N 3.32Å; F1171-V1173 PolarHBondContact O-N 2.87Å; F1171-M1174 HydrophobicContact CD1-CE 3.4Å; F1171-M1174 HydrophobicContact CE1-CE 3.46Å; F1171-M1174 VanDerWaalsContact CE1-CE 3.46Å; F1171-M1174 HydrophobicContact CG-CE 3.97Å; F1171-M1174 HydrophobicContact CZ-CE 4.06Å; F1171-M1174 PolarHBondContact O-N 3.44Å; F1171-F1175 HydrophobicContact CB-CD2 4.33Å; F1171-F1175 HydrophobicContact CB-CE2 3.96Å; F1171-F1175 HydrophobicContact CD1-CE2 4.09Å; F1171-F1175 HydrophobicContact CD1-CZ 4.25Å; F1171-F1175 HydrophobicContact CG-CE2 4.46Å; F1171-F1175 WeakPolarHBondContact O-CD2 3.2Å; F1171-F1175 PolarHBondContact O-N 2.91Å |
| 1172 | T | 86.7 | Confident | 87.8 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 173.1 | -54.8 | 0 | 0 | 0 | 0 | 112 | N1168 S1169 A1170 S1176 I1208 V1211 R1234 | N1168-T1172 PolarHBondContact O-N 2.93Å; N1168-T1172 PolarHBondContact O-OG1 3.4Å; S1169-T1172 VanDerWaalsContact O-CB 3.32Å; S1169-T1172 WeakPolarHBondContact O-CB 3.3Å; S1169-T1172 PolarHBondContact O-N 3.01Å; S1169-T1172 VanDerWaalsContact O-N 3.15Å; A1170-T1172 VanDerWaalsContact C-N 3.34Å; A1170-T1172 PolarHBondContact O-N 2.93Å; T1172-S1176 WeakPolarHBondContact O-CB 3.45Å; T1172-S1176 PolarHBondContact O-N 2.88Å; T1172-S1176 PolarHBondContact O-OG 3.01Å; T1172-I1208 HydrophobicContact CG2-CG1 3.97Å; T1172-V1211 HydrophobicContact CG2-CG2 4.23Å; T1172-R1234 VanDerWaalsContact CA-NH2 3.31Å; T1172-R1234 PolarHBondContact OG1-NH2 3.39Å |
| 1173 | V | 89 | Confident | 88.2 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 58% | 0.582 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | S1169 A1170 F1171 F1175 S1176 V1177 | S1169-V1173 PolarHBondContact O-N 2.87Å; A1170-V1173 PolarHBondContact O-N 3.47Å; F1171-V1173 VanDerWaalsContact C-N 3.32Å; F1171-V1173 PolarHBondContact O-N 2.87Å; V1173-F1175 PolarHBondContact O-N 3.29Å; V1173-S1176 WeakPolarHBondContact O-CB 3.34Å; V1173-S1176 PolarHBondContact O-N 3.36Å; V1173-V1177 WeakPolarHBondContact O-CG2 3.11Å; V1173-V1177 PolarHBondContact O-N 2.97Å |
| 1174 | M | 89.5 | Confident | 88.2 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | -179.6 | -69.8 | -169.4 | -66.5 | 0 | 0 | 113.2 | M1125 A1170 F1171 S1176 V1177 E1178 | M1125-M1174 HydrophobicContact SD-CE 3.8Å; M1125-M1174 HydrophobicContact SD-SD 4.03Å; A1170-M1174 WeakPolarHBondContact O-CG 3.33Å; A1170-M1174 PolarHBondContact O-N 3.38Å; F1171-M1174 HydrophobicContact CD1-CE 3.4Å; F1171-M1174 HydrophobicContact CE1-CE 3.46Å; F1171-M1174 VanDerWaalsContact CE1-CE 3.46Å; F1171-M1174 HydrophobicContact CG-CE 3.97Å; F1171-M1174 HydrophobicContact CZ-CE 4.06Å; F1171-M1174 PolarHBondContact O-N 3.44Å; M1174-S1176 VanDerWaalsContact C-N 3.31Å; M1174-S1176 PolarHBondContact O-N 3.43Å; M1174-V1177 PolarHBondContact O-N 3.35Å; M1174-E1178 PolarHBondContact O-N 3.31Å |
| 1175 | F | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.9 | -28 | 175.2 | -62.6 | -53.6 | 0 | 0 | 0 | 112.7 | I1122 M1125 I1126 N1129 F1171 V1173 E1178 C1179 V1204 | I1122-F1175 HydrophobicContact CG2-CE1 4.45Å; M1125-F1175 HydrophobicContact CB-CE1 4.12Å; M1125-F1175 HydrophobicContact CB-CZ 4.13Å; I1126-F1175 HydrophobicContact CB-CZ 4.49Å; I1126-F1175 HydrophobicContact CG1-CE1 3.69Å; I1126-F1175 HydrophobicContact CG1-CZ 3.71Å; N1129-F1175 HydrophobicContact CB-CE2 4.47Å; F1171-F1175 HydrophobicContact CB-CD2 4.33Å; F1171-F1175 HydrophobicContact CB-CE2 3.96Å; F1171-F1175 HydrophobicContact CD1-CE2 4.09Å; F1171-F1175 HydrophobicContact CD1-CZ 4.25Å; F1171-F1175 HydrophobicContact CG-CE2 4.46Å; F1171-F1175 WeakPolarHBondContact O-CD2 3.2Å; F1171-F1175 PolarHBondContact O-N 2.91Å; V1173-F1175 PolarHBondContact O-N 3.29Å; F1175-E1178 WeakPolarHBondContact O-CB 3.44Å; F1175-E1178 PolarHBondContact O-N 3.45Å; F1175-C1179 WeakPolarHBondContact O-CB 3.49Å; F1175-C1179 PolarHBondContact O-N 3.1Å; F1175-V1204 HydrophobicContact CB-CG2 4.07Å |
| 1176 | S | 89.8 | Confident | 88.6 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 170.7 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | T1172 V1173 M1174 C1179 M1180 | T1172-S1176 WeakPolarHBondContact O-CB 3.45Å; T1172-S1176 PolarHBondContact O-N 2.88Å; T1172-S1176 PolarHBondContact O-OG 3.01Å; V1173-S1176 WeakPolarHBondContact O-CB 3.34Å; V1173-S1176 PolarHBondContact O-N 3.36Å; M1174-S1176 VanDerWaalsContact C-N 3.31Å; M1174-S1176 PolarHBondContact O-N 3.43Å; S1176-C1179 WeakPolarHBondContact O-CB 3.11Å; S1176-C1179 PolarHBondContact O-N 3.26Å; S1176-M1180 WeakPolarHBondContact O-CG 3.39Å; S1176-M1180 PolarHBondContact O-N 2.78Å |
| 1177 | V | 91.5 | Very high | 88.5 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.7 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | V1173 M1174 C1179 M1180 L1181 | V1173-V1177 WeakPolarHBondContact O-CG2 3.11Å; V1173-V1177 PolarHBondContact O-N 2.97Å; M1174-V1177 PolarHBondContact O-N 3.35Å; V1177-C1179 PolarHBondContact O-N 3.17Å; V1177-M1180 PolarHBondContact O-N 3.15Å; V1177-L1181 HydrophobicContact CG1-CD1 3.99Å; V1177-L1181 HydrophobicContact CG1-CG 4.35Å; V1177-L1181 WeakPolarHBondContact O-CB 3.49Å; V1177-L1181 VanDerWaalsContact O-CG 3.31Å; V1177-L1181 WeakPolarHBondContact O-CG 3.4Å; V1177-L1181 PolarHBondContact O-N 3.08Å |
| 1178 | E | 90.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.3 | -50.5 | 172.7 | -174.9 | -165.8 | 172.6 | 0 | 0 | 111.5 | F1118 I1122 M1174 F1175 L1181 K1182 | F1118-E1178 HydrophobicContact CE1-CG 4.13Å; F1118-E1178 HydrophobicContact CZ-CG 3.95Å; I1122-E1178 HydrophobicContact CD1-CB 3.9Å; I1122-E1178 HydrophobicContact CD1-CG 3.68Å; I1122-E1178 HydrophobicContact CG1-CG 3.97Å; I1122-E1178 WeakPolarHBondContact CG2-OE1 3.32Å; I1122-E1178 WeakPolarHBondContact CG2-OE2 3.42Å; M1174-E1178 PolarHBondContact O-N 3.31Å; F1175-E1178 WeakPolarHBondContact O-CB 3.44Å; F1175-E1178 PolarHBondContact O-N 3.45Å; E1178-L1181 PolarHBondContact O-N 3.09Å; E1178-K1182 VanDerWaalsContact CD-NZ 3.31Å; E1178-K1182 HydrophobicContact CG-CD 4.48Å; E1178-K1182 WeakPolarHBondContact O-CG 3.43Å; E1178-K1182 PolarHBondContact O-N 2.89Å; E1178-K1182 VanDerWaalsContact O-N 3.07Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.36Å; E1178-K1182 IonicContact OE1-NZ 3.34Å; E1178-K1182 PolarHBondContact OE1-NZ 3.35Å |
| 1179 | C | 90.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | F1175 S1176 V1177 L1181 K1182 I1183 Y1191 V1204 | F1175-C1179 WeakPolarHBondContact O-CB 3.49Å; F1175-C1179 PolarHBondContact O-N 3.1Å; S1176-C1179 WeakPolarHBondContact O-CB 3.11Å; S1176-C1179 PolarHBondContact O-N 3.26Å; V1177-C1179 PolarHBondContact O-N 3.17Å; C1179-L1181 PolarHBondContact O-N 3.29Å; C1179-K1182 PolarHBondContact O-N 2.86Å; C1179-I1183 WeakPolarHBondContact O-CG1 3.24Å; C1179-I1183 PolarHBondContact O-N 3.44Å; C1179-Y1191 PolarHBondContact SG-OH 3.44Å; C1179-V1204 HydrophobicContact CB-CG2 4.19Å |
| 1180 | M | 91.1 | Very high | 88.4 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 177.3 | -69.9 | -172.4 | 82.1 | 0 | 0 | 112.6 | S1176 V1177 K1182 I1183 M1184 | S1176-M1180 WeakPolarHBondContact O-CG 3.39Å; S1176-M1180 PolarHBondContact O-N 2.78Å; V1177-M1180 PolarHBondContact O-N 3.15Å; M1180-K1182 PolarHBondContact O-N 2.92Å; M1180-I1183 PolarHBondContact O-N 2.64Å; M1180-M1184 HydrophobicContact CE-CE 4.44Å; M1180-M1184 WeakPolarHBondContact O-CG 3.23Å; M1180-M1184 PolarHBondContact O-N 2.68Å |
| 1181 | L | 90.9 | Very high | 88.3 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.5 | -72.5 | 170.5 | 0 | 0 | 0 | 111.7 | V1109 V1113 F1118 V1177 E1178 C1179 M1184 A1185 | V1109-L1181 HydrophobicContact CG1-CB 4.44Å; V1109-L1181 HydrophobicContact CG1-CD2 4.04Å; V1109-L1181 WeakPolarHBondContact CG1-O 3.41Å; V1113-L1181 HydrophobicContact CG2-CB 3.86Å; F1118-L1181 HydrophobicContact CE2-CD1 4.19Å; F1118-L1181 HydrophobicContact CZ-CD1 4.31Å; V1177-L1181 HydrophobicContact CG1-CD1 3.99Å; V1177-L1181 HydrophobicContact CG1-CG 4.35Å; V1177-L1181 WeakPolarHBondContact O-CB 3.49Å; V1177-L1181 VanDerWaalsContact O-CG 3.31Å; V1177-L1181 WeakPolarHBondContact O-CG 3.4Å; V1177-L1181 PolarHBondContact O-N 3.08Å; E1178-L1181 PolarHBondContact O-N 3.09Å; C1179-L1181 PolarHBondContact O-N 3.29Å; L1181-M1184 PolarHBondContact O-N 2.61Å; L1181-A1185 WeakPolarHBondContact O-CB 3.37Å; L1181-A1185 PolarHBondContact O-N 3.07Å |
| 1182 | K | 90.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.6 | -69.2 | 171.1 | -175.5 | 164.1 | 0 | 112.7 | V1113 E1178 C1179 M1180 M1184 A1185 F1186 Y1191 D1200 | V1113-K1182 HydrophobicContact CG1-CB 4.32Å; V1113-K1182 HydrophobicContact CG1-CG 3.67Å; E1178-K1182 VanDerWaalsContact CD-NZ 3.31Å; E1178-K1182 HydrophobicContact CG-CD 4.48Å; E1178-K1182 WeakPolarHBondContact O-CG 3.43Å; E1178-K1182 PolarHBondContact O-N 2.89Å; E1178-K1182 VanDerWaalsContact O-N 3.07Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.36Å; E1178-K1182 IonicContact OE1-NZ 3.34Å; E1178-K1182 PolarHBondContact OE1-NZ 3.35Å; C1179-K1182 PolarHBondContact O-N 2.86Å; M1180-K1182 PolarHBondContact O-N 2.92Å; K1182-M1184 VanDerWaalsContact C-N 3.3Å; K1182-M1184 PolarHBondContact O-N 3.37Å; K1182-A1185 PolarHBondContact O-N 3.16Å; K1182-F1186 HydrophobicContact CB-CD2 4.33Å; K1182-F1186 HydrophobicContact CB-CE2 4.29Å; K1182-F1186 HydrophobicContact CG-CE2 4.45Å; K1182-F1186 VanDerWaalsContact O-CD2 3.25Å; K1182-F1186 WeakPolarHBondContact O-CD2 3.33Å; K1182-F1186 PolarHBondContact O-N 2.83Å; K1182-Y1191 HydrophobicContact CB-CD2 3.59Å; K1182-Y1191 HydrophobicContact CB-CE2 3.42Å; K1182-Y1191 VanDerWaalsContact CB-CE2 3.42Å; K1182-Y1191 HydrophobicContact CD-CE2 3.8Å; K1182-Y1191 HydrophobicContact CG-CE2 4.29Å; K1182-D1200 VanDerWaalsContact NZ-CG 3.3Å; K1182-D1200 IonicContact NZ-OD1 2.99Å; K1182-D1200 IonicContact NZ-OD2 3.7Å; K1182-D1200 PolarHBondContact NZ-OD2 3.18Å |
| 1183 | I | 90.7 | Very high | 88 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.3 | -68.5 | 166.3 | 0 | 0 | 0 | 110.3 | C1179 M1180 G1187 Y1191 F1201 | C1179-I1183 WeakPolarHBondContact O-CG1 3.24Å; C1179-I1183 PolarHBondContact O-N 3.44Å; M1180-I1183 PolarHBondContact O-N 2.64Å; I1183-G1187 WeakPolarHBondContact O-CA 3.27Å; I1183-G1187 PolarHBondContact O-N 3.34Å; I1183-Y1191 HydrophobicContact CD1-CD1 4.21Å; I1183-Y1191 HydrophobicContact CD1-CE1 3.97Å; I1183-Y1191 HydrophobicContact CG1-CD1 3.52Å; I1183-Y1191 HydrophobicContact CG1-CD2 3.99Å; I1183-Y1191 HydrophobicContact CG1-CE1 3.67Å; I1183-Y1191 HydrophobicContact CG1-CE2 4.12Å; I1183-Y1191 HydrophobicContact CG1-CG 3.68Å; I1183-F1201 HydrophobicContact CD1-CD2 4.5Å; I1183-F1201 HydrophobicContact CD1-CE2 4.49Å |
| 1184 | M | 88.8 | Confident | 87.6 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.2 | -69 | 179.4 | -171.2 | 0 | 0 | 112.9 | V1109 M1180 L1181 K1182 | V1109-M1184 HydrophobicContact CG1-CB 4.12Å; M1180-M1184 HydrophobicContact CE-CE 4.44Å; M1180-M1184 WeakPolarHBondContact O-CG 3.23Å; M1180-M1184 PolarHBondContact O-N 2.68Å; L1181-M1184 PolarHBondContact O-N 2.61Å; K1182-M1184 VanDerWaalsContact C-N 3.3Å; K1182-M1184 PolarHBondContact O-N 3.37Å |
| 1185 | A | 86 | Confident | 87.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -56 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1106 V1109 W1110 V1113 L1181 K1182 | K1106-A1185 WeakPolarHBondContact CE-O 3.46Å; V1109-A1185 HydrophobicContact CG1-CB 4.19Å; W1110-A1185 HydrophobicContact CB-CB 4.17Å; V1113-A1185 HydrophobicContact CB-CB 3.87Å; V1113-A1185 HydrophobicContact CG1-CB 4.05Å; V1113-A1185 HydrophobicContact CG2-CB 3.94Å; L1181-A1185 WeakPolarHBondContact O-CB 3.37Å; L1181-A1185 PolarHBondContact O-N 3.07Å; K1182-A1185 PolarHBondContact O-N 3.16Å |
| 1186 | F | 85.3 | Confident | 87 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.1 | -32.4 | -172.9 | -55 | -60.4 | 0 | 0 | 0 | 112.1 | K1106 W1110 V1113 V1114 K1182 N1190 Y1191 | K1106-F1186 PolarHBondContact NZ-O 2.88Å; K1106-F1186 VanDerWaalsContact NZ-O 3.15Å; W1110-F1186 AromaticContact CD1-CD1 3.91Å; W1110-F1186 AromaticContact CD1-CE1 3.78Å; W1110-F1186 AromaticContact NE1-CE1 3.89Å; V1113-F1186 HydrophobicContact CG1-CE2 3.74Å; V1113-F1186 HydrophobicContact CG1-CZ 3.82Å; V1114-F1186 HydrophobicContact CG2-CE1 3.82Å; V1114-F1186 HydrophobicContact CG2-CZ 3.86Å; K1182-F1186 HydrophobicContact CB-CD2 4.33Å; K1182-F1186 HydrophobicContact CB-CE2 4.29Å; K1182-F1186 HydrophobicContact CG-CE2 4.45Å; K1182-F1186 VanDerWaalsContact O-CD2 3.25Å; K1182-F1186 WeakPolarHBondContact O-CD2 3.33Å; K1182-F1186 PolarHBondContact O-N 2.83Å; F1186-N1190 HydrophobicContact CB-CB 3.9Å; F1186-N1190 PolarHBondContact O-ND2 3.5Å; F1186-Y1191 HydrophobicContact CD2-CD2 4.47Å |
| 1187 | G | 84.5 | Confident | 86.8 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | trans | 83.7 | 146.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1183 K1189 N1190 Y1191 | I1183-G1187 WeakPolarHBondContact O-CA 3.27Å; I1183-G1187 PolarHBondContact O-N 3.34Å; G1187-K1189 PolarHBondContact O-N 2.78Å; G1187-N1190 PolarHBondContact O-N 3.32Å; G1187-Y1191 PolarHBondContact O-N 2.86Å | ||
| 1188 | P | 85.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.4 | -45.5 | -167.5 | 18.6 | -31.8 | 0 | 0 | 0 | 113.2 | N1190 Y1191 F1192 | P1188-N1190 PolarHBondContact O-N 2.98Å; P1188-N1190 VanDerWaalsContact O-N 3.12Å; P1188-Y1191 CarbonylContact O-C 3.56Å; P1188-Y1191 PolarHBondContact O-N 2.8Å; P1188-Y1191 VanDerWaalsContact O-N 3.12Å; P1188-F1192 HydrophobicContact CB-CD2 4.07Å; P1188-F1192 HydrophobicContact CB-CE2 4Å; P1188-F1192 WeakPolarHBondContact O-CB 3.31Å; P1188-F1192 WeakPolarHBondContact O-CD2 3.21Å; P1188-F1192 PolarHBondContact O-N 2.71Å |
| 1189 | K | 84.5 | Confident | 86.6 | Confident | 176 Ų | 176 | 51.7 Ų | 51.7 | 77% | 0.765 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.4 | -26.5 | 179.7 | -173.9 | 165.3 | -175.1 | 163.3 | 0 | 114.7 | G1187 R1193 | G1187-K1189 PolarHBondContact O-N 2.78Å; K1189-R1193 WeakPolarHBondContact O-CB 3.36Å |
| 1190 | N | 82.4 | Confident | 86.4 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -91 | -39.1 | 175.2 | -62.2 | -30.4 | 0 | 0 | 0 | 110.8 | Y1097 F1186 G1187 P1188 F1192 R1193 D1194 | Y1097-N1190 HydrophobicContact CD1-CB 4.29Å; Y1097-N1190 HydrophobicContact CD2-CB 4.31Å; Y1097-N1190 HydrophobicContact CE1-CB 4.43Å; Y1097-N1190 WeakPolarHBondContact CE1-OD1 3.5Å; Y1097-N1190 HydrophobicContact CE2-CB 4.45Å; Y1097-N1190 HydrophobicContact CG-CB 4.24Å; F1186-N1190 HydrophobicContact CB-CB 3.9Å; F1186-N1190 PolarHBondContact O-ND2 3.5Å; G1187-N1190 PolarHBondContact O-N 3.32Å; P1188-N1190 PolarHBondContact O-N 2.98Å; P1188-N1190 VanDerWaalsContact O-N 3.12Å; N1190-F1192 PolarHBondContact O-N 3.39Å; N1190-R1193 PolarHBondContact O-N 3.3Å; N1190-R1193 VanDerWaalsContact O-N 3.08Å; N1190-D1194 PolarHBondContact O-N 3.17Å |
| 1191 | Y | 86.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -29.1 | 174 | 177.4 | -96.6 | 0 | 0 | 0 | 113.6 | C1179 K1182 I1183 F1186 G1187 P1188 D1194 N1197 D1200 F1201 | C1179-Y1191 PolarHBondContact SG-OH 3.44Å; K1182-Y1191 HydrophobicContact CB-CD2 3.59Å; K1182-Y1191 HydrophobicContact CB-CE2 3.42Å; K1182-Y1191 VanDerWaalsContact CB-CE2 3.42Å; K1182-Y1191 HydrophobicContact CD-CE2 3.8Å; K1182-Y1191 HydrophobicContact CG-CE2 4.29Å; I1183-Y1191 HydrophobicContact CD1-CD1 4.21Å; I1183-Y1191 HydrophobicContact CD1-CE1 3.97Å; I1183-Y1191 HydrophobicContact CG1-CD1 3.52Å; I1183-Y1191 HydrophobicContact CG1-CD2 3.99Å; I1183-Y1191 HydrophobicContact CG1-CE1 3.67Å; I1183-Y1191 HydrophobicContact CG1-CE2 4.12Å; I1183-Y1191 HydrophobicContact CG1-CG 3.68Å; F1186-Y1191 HydrophobicContact CD2-CD2 4.47Å; G1187-Y1191 PolarHBondContact O-N 2.86Å; P1188-Y1191 CarbonylContact O-C 3.56Å; P1188-Y1191 PolarHBondContact O-N 2.8Å; P1188-Y1191 VanDerWaalsContact O-N 3.12Å; Y1191-D1194 CarbonylContact C-O 3.05Å; Y1191-N1197 HydrophobicContact CD1-CB 4.42Å; Y1191-N1197 HydrophobicContact CD2-CB 3.73Å; Y1191-N1197 HydrophobicContact CE1-CB 4.21Å; Y1191-N1197 HydrophobicContact CE2-CB 3.48Å; Y1191-N1197 VanDerWaalsContact CE2-CB 3.48Å; Y1191-N1197 HydrophobicContact CG-CB 4.21Å; Y1191-N1197 WeakPolarHBondContact O-CB 3.47Å; Y1191-N1197 PolarHBondContact O-ND2 2.94Å; Y1191-N1197 PolarHBondContact OH-O 3.12Å; Y1191-D1200 PolarHBondContact OH-OD2 3.1Å; Y1191-F1201 HydrophobicContact CE1-CB 4.12Å; Y1191-F1201 HydrophobicContact CE1-CD2 4.18Å; Y1191-F1201 HydrophobicContact CE1-CG 4.42Å |
| 1192 | F | 89.1 | Confident | 86.3 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.9 | 174.1 | -66.2 | -61.6 | 0 | 0 | 0 | 113.6 | P1188 N1190 D1194 I1198 F1201 | P1188-F1192 HydrophobicContact CB-CD2 4.07Å; P1188-F1192 HydrophobicContact CB-CE2 4Å; P1188-F1192 WeakPolarHBondContact O-CB 3.31Å; P1188-F1192 WeakPolarHBondContact O-CD2 3.21Å; P1188-F1192 PolarHBondContact O-N 2.71Å; N1190-F1192 PolarHBondContact O-N 3.39Å; F1192-D1194 CarbonylContact C-O 3.49Å; F1192-I1198 HydrophobicContact CB-CD1 4.17Å; F1192-I1198 HydrophobicContact CD1-CD1 4.02Å; F1192-I1198 HydrophobicContact CD1-CG1 3.7Å; F1192-I1198 HydrophobicContact CE1-CG1 4.49Å; F1192-I1198 WeakPolarHBondContact O-CD1 3.2Å; F1192-F1201 HydrophobicContact CE1-CB 4.49Å; F1192-F1201 AromaticContact CE1-CD1 3.78Å; F1192-F1201 HydrophobicContact CE1-CD1 3.78Å; F1192-F1201 HydrophobicContact CE1-CD2 4.21Å; F1192-F1201 AromaticContact CE1-CE1 3.9Å; F1192-F1201 HydrophobicContact CE1-CE1 3.9Å; F1192-F1201 HydrophobicContact CE1-CE2 4.34Å; F1192-F1201 AromaticContact CE1-CG 3.93Å; F1192-F1201 HydrophobicContact CE1-CG 3.93Å; F1192-F1201 HydrophobicContact CE1-CZ 4.18Å; F1192-F1201 HydrophobicContact CZ-CD1 4.3Å; F1192-F1201 HydrophobicContact CZ-CD2 4.25Å; F1192-F1201 HydrophobicContact CZ-CE1 4.02Å; F1192-F1201 AromaticContact CZ-CE2 3.99Å; F1192-F1201 HydrophobicContact CZ-CE2 3.99Å; F1192-F1201 HydrophobicContact CZ-CG 4.4Å; F1192-F1201 AromaticContact CZ-CZ 3.86Å; F1192-F1201 HydrophobicContact CZ-CZ 3.86Å |
| 1193 | R | 81.3 | Confident | 86.2 | Confident | 130 Ų | 130 | 50.5 Ų | 50.5 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -42.7 | 174.3 | 174.8 | 170.8 | 174.6 | -150.9 | 1.6 | 112 | Y1097 K1189 N1190 R1195 | Y1097-R1193 WeakPolarHBondContact OH-CD 3.46Å; Y1097-R1193 PolarHBondContact OH-NH1 3.1Å; K1189-R1193 WeakPolarHBondContact O-CB 3.36Å; N1190-R1193 PolarHBondContact O-N 3.3Å; N1190-R1193 VanDerWaalsContact O-N 3.08Å; R1193-R1195 WeakPolarHBondContact O-CD 3.36Å; R1193-R1195 WeakPolarHBondContact O-CG 3.5Å; R1193-R1195 PolarHBondContact O-NE 2.95Å |
| 1194 | D | 79.1 | Confident | 86.2 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -73.5 | 141.4 | 152.2 | 175.9 | 25.8 | 0 | 0 | 0 | 107.8 | N1190 Y1191 F1192 N1197 C1831 | N1190-D1194 PolarHBondContact O-N 3.17Å; Y1191-D1194 CarbonylContact C-O 3.05Å; F1192-D1194 CarbonylContact C-O 3.49Å; D1194-N1197 PolarHBondContact OD2-ND2 3.03Å; D1194-C1831 WeakPolarHBondContact OD1-CB 3.24Å; D1194-C1831 PolarHBondContact OD1-SG 3.49Å; D1194-C1831 PolarHBondContact OD2-SG 3.17Å |
| 1195 | R | 83.2 | Confident | 86.2 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -148.9 | 12.8 | -163.7 | 22.1 | 46.5 | 163.1 | -168.4 | -3.5 | 119.9 | R1193 N1197 I1198 F1199 D1832 M1833 | R1193-R1195 WeakPolarHBondContact O-CD 3.36Å; R1193-R1195 WeakPolarHBondContact O-CG 3.5Å; R1193-R1195 PolarHBondContact O-NE 2.95Å; R1195-N1197 PolarHBondContact O-N 3.11Å; R1195-I1198 VanDerWaalsContact C-N 3.35Å; R1195-I1198 HydrophobicContact CB-CB 3.64Å; R1195-I1198 HydrophobicContact CB-CD1 3.63Å; R1195-I1198 HydrophobicContact CB-CG1 3.59Å; R1195-I1198 HydrophobicContact CG-CD1 4.17Å; R1195-I1198 WeakPolarHBondContact O-CA 3.35Å; R1195-I1198 WeakPolarHBondContact O-CB 3.38Å; R1195-I1198 PolarHBondContact O-N 3.03Å; R1195-F1199 PolarHBondContact O-N 2.65Å; R1195-F1199 VanDerWaalsContact O-N 3.15Å; R1195-D1832 CarbonylContact C-O 3.53Å; R1195-D1832 WeakPolarHBondContact CA-O 3.43Å; R1195-D1832 WeakPolarHBondContact CD-O 3.49Å; R1195-D1832 PolarHBondContact N-O 3.23Å; R1195-D1832 PolarHBondContact NH1-O 3.39Å; R1195-M1833 WeakPolarHBondContact CB-O 3.31Å; R1195-M1833 WeakPolarHBondContact O-CB 3.45Å; R1195-M1833 VanDerWaalsContact O-O 3.05Å | ||
| 1196 | W | 84 | Confident | 86.3 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -24.2 | 143.9 | -110.8 | 122.2 | 0 | 0 | 0 | 109.1 | F1199 D1200 I1236 K1237 R1240 C1831 D1832 | W1196-F1199 HydrophobicContact CE3-CB 3.91Å; W1196-F1199 AromaticContact CE3-CD1 3.66Å; W1196-F1199 HydrophobicContact CE3-CD1 3.66Å; W1196-F1199 HydrophobicContact CE3-CG 4.03Å; W1196-F1199 HydrophobicContact CH2-CD1 4.43Å; W1196-F1199 HydrophobicContact CZ3-CB 4.32Å; W1196-F1199 AromaticContact CZ3-CD1 3.3Å; W1196-F1199 HydrophobicContact CZ3-CD1 3.3Å; W1196-F1199 AromaticContact CZ3-CE1 3.73Å; W1196-F1199 HydrophobicContact CZ3-CE1 3.73Å; W1196-F1199 AromaticContact CZ3-CG 3.92Å; W1196-F1199 HydrophobicContact CZ3-CG 3.92Å; W1196-F1199 WeakPolarHBondContact O-CB 3.36Å; W1196-F1199 PolarHBondContact O-N 2.95Å; W1196-D1200 VanDerWaalsContact O-CB 3.32Å; W1196-D1200 WeakPolarHBondContact O-CB 3.37Å; W1196-D1200 PolarHBondContact O-N 2.95Å; W1196-I1236 HydrophobicContact CH2-CG2 3.8Å; W1196-I1236 VanDerWaalsContact CH2-O 3.23Å; W1196-I1236 WeakPolarHBondContact CH2-O 3.06Å; W1196-I1236 HydrophobicContact CZ3-CG2 4.34Å; W1196-K1237 HydrophobicContact CZ3-CB 4.29Å; W1196-K1237 HydrophobicContact CZ3-CG 4.04Å; W1196-R1240 HydrophobicContact CD2-CB 4.39Å; W1196-R1240 HydrophobicContact CD2-CG 4.03Å; W1196-R1240 HydrophobicContact CG-CG 4.03Å; W1196-R1240 VanDerWaalsContact CG-NE 3.29Å; W1196-R1240 HydrophobicContact CH2-CB 4.49Å; W1196-R1240 HydrophobicContact CZ2-CB 3.89Å; W1196-R1240 HydrophobicContact CZ2-CG 4.36Å; W1196-C1831 HydrophobicContact CB-CB 4.2Å; W1196-D1832 HydrophobicContact CG-CB 4.13Å; W1196-D1832 VanDerWaalsContact N-C 3.33Å; W1196-D1832 PolarHBondContact N-O 3.43Å; W1196-D1832 PolarHBondContact NE1-OD1 3.27Å |
| 1197 | N | 87.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -31 | 165.6 | -64.4 | -22.9 | 0 | 0 | 0 | 113.9 | Y1191 D1194 R1195 D1200 F1201 | Y1191-N1197 HydrophobicContact CD1-CB 4.42Å; Y1191-N1197 HydrophobicContact CD2-CB 3.73Å; Y1191-N1197 HydrophobicContact CE1-CB 4.21Å; Y1191-N1197 HydrophobicContact CE2-CB 3.48Å; Y1191-N1197 VanDerWaalsContact CE2-CB 3.48Å; Y1191-N1197 HydrophobicContact CG-CB 4.21Å; Y1191-N1197 WeakPolarHBondContact O-CB 3.47Å; Y1191-N1197 PolarHBondContact O-ND2 2.94Å; Y1191-N1197 PolarHBondContact OH-O 3.12Å; D1194-N1197 PolarHBondContact OD2-ND2 3.03Å; R1195-N1197 PolarHBondContact O-N 3.11Å; N1197-D1200 WeakPolarHBondContact O-CB 3.46Å; N1197-D1200 PolarHBondContact O-N 3.08Å; N1197-F1201 VanDerWaalsContact O-CB 3.24Å; N1197-F1201 WeakPolarHBondContact O-CB 3.47Å; N1197-F1201 PolarHBondContact O-N 3.3Å |
| 1198 | I | 89 | Confident | 86.5 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -39.7 | 171.1 | -74.8 | 179.9 | 0 | 0 | 0 | 110.1 | F1192 R1195 D1200 F1201 I1202 M1833 H1834 | F1192-I1198 HydrophobicContact CB-CD1 4.17Å; F1192-I1198 HydrophobicContact CD1-CD1 4.02Å; F1192-I1198 HydrophobicContact CD1-CG1 3.7Å; F1192-I1198 HydrophobicContact CE1-CG1 4.49Å; F1192-I1198 WeakPolarHBondContact O-CD1 3.2Å; R1195-I1198 VanDerWaalsContact C-N 3.35Å; R1195-I1198 HydrophobicContact CB-CB 3.64Å; R1195-I1198 HydrophobicContact CB-CD1 3.63Å; R1195-I1198 HydrophobicContact CB-CG1 3.59Å; R1195-I1198 HydrophobicContact CG-CD1 4.17Å; R1195-I1198 WeakPolarHBondContact O-CA 3.35Å; R1195-I1198 WeakPolarHBondContact O-CB 3.38Å; R1195-I1198 PolarHBondContact O-N 3.03Å; I1198-D1200 VanDerWaalsContact C-N 3.33Å; I1198-D1200 PolarHBondContact O-N 2.93Å; I1198-F1201 PolarHBondContact O-N 3.1Å; I1198-I1202 HydrophobicContact CG2-CD1 3.67Å; I1198-I1202 HydrophobicContact CG2-CG1 4.32Å; I1198-I1202 WeakPolarHBondContact O-CB 3.38Å; I1198-I1202 VanDerWaalsContact O-CG1 3.22Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.46Å; I1198-I1202 PolarHBondContact O-N 2.75Å; I1198-M1833 HydrophobicContact CG2-CE 4.48Å; I1198-H1834 WeakPolarHBondContact CD1-O 3.38Å |
| 1199 | F | 87.5 | Confident | 86.4 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 169.6 | -171.1 | -100.2 | 0 | 0 | 0 | 112.3 | R1195 W1196 I1202 T1203 A1233 I1236 K1237 M1833 | R1195-F1199 PolarHBondContact O-N 2.65Å; R1195-F1199 VanDerWaalsContact O-N 3.15Å; W1196-F1199 HydrophobicContact CE3-CB 3.91Å; W1196-F1199 AromaticContact CE3-CD1 3.66Å; W1196-F1199 HydrophobicContact CE3-CD1 3.66Å; W1196-F1199 HydrophobicContact CE3-CG 4.03Å; W1196-F1199 HydrophobicContact CH2-CD1 4.43Å; W1196-F1199 HydrophobicContact CZ3-CB 4.32Å; W1196-F1199 AromaticContact CZ3-CD1 3.3Å; W1196-F1199 HydrophobicContact CZ3-CD1 3.3Å; W1196-F1199 AromaticContact CZ3-CE1 3.73Å; W1196-F1199 HydrophobicContact CZ3-CE1 3.73Å; W1196-F1199 AromaticContact CZ3-CG 3.92Å; W1196-F1199 HydrophobicContact CZ3-CG 3.92Å; W1196-F1199 WeakPolarHBondContact O-CB 3.36Å; W1196-F1199 PolarHBondContact O-N 2.95Å; F1199-I1202 PolarHBondContact O-N 3.22Å; F1199-T1203 HydrophobicContact CD1-CG2 3.97Å; F1199-T1203 HydrophobicContact CE1-CG2 3.52Å; F1199-T1203 HydrophobicContact CE2-CG2 4.13Å; F1199-T1203 HydrophobicContact CG-CG2 4.48Å; F1199-T1203 HydrophobicContact CZ-CG2 3.61Å; F1199-T1203 WeakPolarHBondContact O-CB 3.31Å; F1199-T1203 WeakPolarHBondContact O-CG2 3.31Å; F1199-T1203 PolarHBondContact O-N 3.02Å; F1199-T1203 PolarHBondContact O-OG1 2.93Å; F1199-A1233 WeakPolarHBondContact CE1-O 3.39Å; F1199-A1233 HydrophobicContact CZ-CB 4.32Å; F1199-A1233 VanDerWaalsContact CZ-O 3.31Å; F1199-A1233 WeakPolarHBondContact CZ-O 3.29Å; F1199-I1236 HydrophobicContact CE1-CB 4.13Å; F1199-I1236 HydrophobicContact CE1-CG2 4.14Å; F1199-I1236 HydrophobicContact CZ-CB 3.9Å; F1199-I1236 HydrophobicContact CZ-CD1 4.22Å; F1199-I1236 HydrophobicContact CZ-CG2 3.87Å; F1199-K1237 HydrophobicContact CD1-CG 4.03Å; F1199-K1237 HydrophobicContact CE1-CG 3.9Å; F1199-M1833 HydrophobicContact CB-CE 3.62Å; F1199-M1833 HydrophobicContact CB-SD 3.77Å; F1199-M1833 HydrophobicContact CD2-CE 3.95Å; F1199-M1833 HydrophobicContact CD2-SD 3.71Å; F1199-M1833 HydrophobicContact CG-CE 4.29Å; F1199-M1833 HydrophobicContact CG-SD 4.09Å |
| 1200 | D | 87.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 175.2 | -171.3 | 45.9 | 0 | 0 | 0 | 111.5 | K1182 Y1191 W1196 N1197 I1198 T1203 V1204 K1237 | K1182-D1200 VanDerWaalsContact NZ-CG 3.3Å; K1182-D1200 IonicContact NZ-OD1 2.99Å; K1182-D1200 IonicContact NZ-OD2 3.7Å; K1182-D1200 PolarHBondContact NZ-OD2 3.18Å; Y1191-D1200 PolarHBondContact OH-OD2 3.1Å; W1196-D1200 VanDerWaalsContact O-CB 3.32Å; W1196-D1200 WeakPolarHBondContact O-CB 3.37Å; W1196-D1200 PolarHBondContact O-N 2.95Å; N1197-D1200 WeakPolarHBondContact O-CB 3.46Å; N1197-D1200 PolarHBondContact O-N 3.08Å; I1198-D1200 VanDerWaalsContact C-N 3.33Å; I1198-D1200 PolarHBondContact O-N 2.93Å; D1200-T1203 PolarHBondContact O-N 3.42Å; D1200-T1203 PolarHBondContact O-OG1 2.87Å; D1200-V1204 WeakPolarHBondContact O-CB 3.46Å; D1200-V1204 VanDerWaalsContact O-CG2 3.29Å; D1200-V1204 WeakPolarHBondContact O-CG2 3.25Å; D1200-V1204 PolarHBondContact O-N 2.74Å; D1200-K1237 IonicContact OD1-NZ 2.73Å; D1200-K1237 PolarHBondContact OD1-NZ 3.24Å |
| 1201 | F | 90.5 | Very high | 86.2 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 175.9 | -171.6 | -108.3 | 0 | 0 | 0 | 112.9 | I1183 Y1191 F1192 N1197 I1198 V1204 I1205 | I1183-F1201 HydrophobicContact CD1-CD2 4.5Å; I1183-F1201 HydrophobicContact CD1-CE2 4.49Å; Y1191-F1201 HydrophobicContact CE1-CB 4.12Å; Y1191-F1201 HydrophobicContact CE1-CD2 4.18Å; Y1191-F1201 HydrophobicContact CE1-CG 4.42Å; F1192-F1201 HydrophobicContact CE1-CB 4.49Å; F1192-F1201 AromaticContact CE1-CD1 3.78Å; F1192-F1201 HydrophobicContact CE1-CD1 3.78Å; F1192-F1201 HydrophobicContact CE1-CD2 4.21Å; F1192-F1201 AromaticContact CE1-CE1 3.9Å; F1192-F1201 HydrophobicContact CE1-CE1 3.9Å; F1192-F1201 HydrophobicContact CE1-CE2 4.34Å; F1192-F1201 AromaticContact CE1-CG 3.93Å; F1192-F1201 HydrophobicContact CE1-CG 3.93Å; F1192-F1201 HydrophobicContact CE1-CZ 4.18Å; F1192-F1201 HydrophobicContact CZ-CD1 4.3Å; F1192-F1201 HydrophobicContact CZ-CD2 4.25Å; F1192-F1201 HydrophobicContact CZ-CE1 4.02Å; F1192-F1201 AromaticContact CZ-CE2 3.99Å; F1192-F1201 HydrophobicContact CZ-CE2 3.99Å; F1192-F1201 HydrophobicContact CZ-CG 4.4Å; F1192-F1201 AromaticContact CZ-CZ 3.86Å; F1192-F1201 HydrophobicContact CZ-CZ 3.86Å; N1197-F1201 VanDerWaalsContact O-CB 3.24Å; N1197-F1201 WeakPolarHBondContact O-CB 3.47Å; N1197-F1201 PolarHBondContact O-N 3.3Å; I1198-F1201 PolarHBondContact O-N 3.1Å; F1201-V1204 PolarHBondContact O-N 3.38Å; F1201-I1205 HydrophobicContact CD1-CD1 3.78Å; F1201-I1205 HydrophobicContact CD2-CD1 4.47Å; F1201-I1205 HydrophobicContact CE1-CD1 3.37Å; F1201-I1205 HydrophobicContact CE2-CD1 4.11Å; F1201-I1205 HydrophobicContact CG-CD1 4.32Å; F1201-I1205 HydrophobicContact CZ-CD1 3.56Å; F1201-I1205 WeakPolarHBondContact O-CG1 3.14Å; F1201-I1205 PolarHBondContact O-N 3.15Å |
| 1202 | I | 89.8 | Confident | 86 | Confident | 78 Ų | 78 | 43 Ų | 43 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 177.5 | -70.7 | 166.8 | 0 | 0 | 0 | 111 | I1198 F1199 V1204 I1205 G1206 F1230 | I1198-I1202 HydrophobicContact CG2-CD1 3.67Å; I1198-I1202 HydrophobicContact CG2-CG1 4.32Å; I1198-I1202 WeakPolarHBondContact O-CB 3.38Å; I1198-I1202 VanDerWaalsContact O-CG1 3.22Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.46Å; I1198-I1202 PolarHBondContact O-N 2.75Å; F1199-I1202 PolarHBondContact O-N 3.22Å; I1202-V1204 VanDerWaalsContact C-N 3.34Å; I1202-V1204 PolarHBondContact O-N 2.7Å; I1202-I1205 PolarHBondContact O-N 3.04Å; I1202-G1206 PolarHBondContact O-N 3.3Å; I1202-F1230 HydrophobicContact CG2-CE1 4.12Å |
| 1203 | T | 87.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | F1199 D1200 S1207 A1233 K1237 | F1199-T1203 HydrophobicContact CD1-CG2 3.97Å; F1199-T1203 HydrophobicContact CE1-CG2 3.52Å; F1199-T1203 HydrophobicContact CE2-CG2 4.13Å; F1199-T1203 HydrophobicContact CG-CG2 4.48Å; F1199-T1203 HydrophobicContact CZ-CG2 3.61Å; F1199-T1203 WeakPolarHBondContact O-CB 3.31Å; F1199-T1203 WeakPolarHBondContact O-CG2 3.31Å; F1199-T1203 PolarHBondContact O-N 3.02Å; F1199-T1203 PolarHBondContact O-OG1 2.93Å; D1200-T1203 PolarHBondContact O-N 3.42Å; D1200-T1203 PolarHBondContact O-OG1 2.87Å; T1203-S1207 VanDerWaalsContact O-CB 3.3Å; T1203-S1207 WeakPolarHBondContact O-CB 3.21Å; T1203-S1207 PolarHBondContact O-N 2.86Å; T1203-S1207 VanDerWaalsContact O-N 3.1Å; T1203-S1207 PolarHBondContact O-OG 3.12Å; T1203-A1233 HydrophobicContact CG2-CB 3.97Å; T1203-K1237 WeakPolarHBondContact OG1-CE 3.36Å; T1203-K1237 PolarHBondContact OG1-NZ 3.36Å |
| 1204 | V | 89.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -54.5 | 173.3 | 166.7 | 0 | 0 | 0 | 0 | 110.3 | F1175 C1179 D1200 F1201 I1202 G1206 S1207 I1208 | F1175-V1204 HydrophobicContact CB-CG2 4.07Å; C1179-V1204 HydrophobicContact CB-CG2 4.19Å; D1200-V1204 WeakPolarHBondContact O-CB 3.46Å; D1200-V1204 VanDerWaalsContact O-CG2 3.29Å; D1200-V1204 WeakPolarHBondContact O-CG2 3.25Å; D1200-V1204 PolarHBondContact O-N 2.74Å; F1201-V1204 PolarHBondContact O-N 3.38Å; I1202-V1204 VanDerWaalsContact C-N 3.34Å; I1202-V1204 PolarHBondContact O-N 2.7Å; V1204-G1206 PolarHBondContact O-N 3.38Å; V1204-S1207 PolarHBondContact O-N 2.97Å; V1204-S1207 VanDerWaalsContact O-N 3.16Å; V1204-S1207 PolarHBondContact O-OG 2.79Å; V1204-I1208 HydrophobicContact CG1-CD1 3.71Å; V1204-I1208 HydrophobicContact CG1-CG1 4.43Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.46Å; V1204-I1208 PolarHBondContact O-N 3.5Å |
| 1205 | I | 90.5 | Very high | 84.7 | Confident | 79 Ų | 79 | 41.4 Ų | 41.4 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 178.6 | -72.7 | 176 | 0 | 0 | 0 | 111.4 | F1201 I1202 S1207 I1208 T1209 | F1201-I1205 HydrophobicContact CD1-CD1 3.78Å; F1201-I1205 HydrophobicContact CD2-CD1 4.47Å; F1201-I1205 HydrophobicContact CE1-CD1 3.37Å; F1201-I1205 HydrophobicContact CE2-CD1 4.11Å; F1201-I1205 HydrophobicContact CG-CD1 4.32Å; F1201-I1205 HydrophobicContact CZ-CD1 3.56Å; F1201-I1205 WeakPolarHBondContact O-CG1 3.14Å; F1201-I1205 PolarHBondContact O-N 3.15Å; I1202-I1205 PolarHBondContact O-N 3.04Å; I1205-S1207 PolarHBondContact O-N 3.35Å; I1205-I1208 PolarHBondContact O-N 3.09Å; I1205-T1209 PolarHBondContact O-N 3.48Å; I1205-T1209 PolarHBondContact O-OG1 2.88Å; I1205-T1209 VanDerWaalsContact O-OG1 3.05Å |
| 1206 | G | 86.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1202 V1204 D1210 | I1202-G1206 PolarHBondContact O-N 3.3Å; V1204-G1206 PolarHBondContact O-N 3.38Å; G1206-D1210 WeakPolarHBondContact O-CB 3.34Å; G1206-D1210 PolarHBondContact O-N 3.26Å |
| 1207 | S | 86.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.6 | -25.4 | 175.9 | 70 | 0 | 0 | 0 | 0 | 115.2 | T1203 V1204 I1205 V1211 R1234 | T1203-S1207 VanDerWaalsContact O-CB 3.3Å; T1203-S1207 WeakPolarHBondContact O-CB 3.21Å; T1203-S1207 PolarHBondContact O-N 2.86Å; T1203-S1207 VanDerWaalsContact O-N 3.1Å; T1203-S1207 PolarHBondContact O-OG 3.12Å; V1204-S1207 PolarHBondContact O-N 2.97Å; V1204-S1207 VanDerWaalsContact O-N 3.16Å; V1204-S1207 PolarHBondContact O-OG 2.79Å; I1205-S1207 PolarHBondContact O-N 3.35Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.4Å; S1207-V1211 PolarHBondContact O-N 2.94Å; S1207-V1211 VanDerWaalsContact O-N 3.12Å; S1207-R1234 PolarHBondContact OG-NH2 3.07Å |
| 1208 | I | 87.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 168 | -67.9 | 166.3 | 0 | 0 | 0 | 109.3 | T1172 V1204 I1205 V1211 L1212 | T1172-I1208 HydrophobicContact CG2-CG1 3.97Å; V1204-I1208 HydrophobicContact CG1-CD1 3.71Å; V1204-I1208 HydrophobicContact CG1-CG1 4.43Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.46Å; V1204-I1208 PolarHBondContact O-N 3.5Å; I1205-I1208 PolarHBondContact O-N 3.09Å; I1208-V1211 PolarHBondContact O-N 3.09Å; I1208-L1212 HydrophobicContact CG2-CD1 3.83Å; I1208-L1212 HydrophobicContact CG2-CG 4.31Å; I1208-L1212 WeakPolarHBondContact O-CB 3.28Å; I1208-L1212 VanDerWaalsContact O-CG 3.32Å; I1208-L1212 WeakPolarHBondContact O-CG 3.21Å; I1208-L1212 PolarHBondContact O-N 3.47Å |
| 1209 | T | 84.6 | Confident | 79.5 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 174 | -53 | 0 | 0 | 0 | 0 | 111.3 | I1205 V1211 L1212 V1213 L1227 | I1205-T1209 PolarHBondContact O-N 3.48Å; I1205-T1209 PolarHBondContact O-OG1 2.88Å; I1205-T1209 VanDerWaalsContact O-OG1 3.05Å; T1209-V1211 PolarHBondContact O-N 3.35Å; T1209-L1212 PolarHBondContact O-N 3.17Å; T1209-V1213 HydrophobicContact CG2-CG2 4.11Å; T1209-V1213 WeakPolarHBondContact O-CB 3.45Å; T1209-V1213 WeakPolarHBondContact O-CG2 3.27Å; T1209-V1213 PolarHBondContact O-N 3.39Å; T1209-L1227 HydrophobicContact CG2-CD1 4.29Å; T1209-L1227 HydrophobicContact CG2-CD2 4.4Å |
| 1210 | D | 81.4 | Confident | 77.7 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.4 | 170.4 | 83.1 | 0 | 0 | 0 | 113 | G1206 S1214 L1227 R1228 R1231 | G1206-D1210 WeakPolarHBondContact O-CB 3.34Å; G1206-D1210 PolarHBondContact O-N 3.26Å; D1210-S1214 WeakPolarHBondContact O-CB 3.24Å; D1210-S1214 PolarHBondContact O-N 3.34Å; D1210-S1214 PolarHBondContact O-OG 2.93Å; D1210-L1227 HydrophobicContact CB-CB 4.04Å; D1210-R1228 PolarHBondContact OD1-N 3.12Å; D1210-R1231 IonicContact OD1-NE 2.62Å; D1210-R1231 IonicContact OD1-NH2 2.87Å; D1210-R1231 IonicContact OD2-CZ 2.68Å; D1210-R1231 IonicContact OD2-NE 3.33Å; D1210-R1231 PolarHBondContact OD2-NE 3.29Å; D1210-R1231 IonicContact OD2-NH2 3.19Å; D1210-R1231 PolarHBondContact OD2-NH2 2.92Å |
| 1211 | V | 80.6 | Confident | 75.7 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -51.8 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | T1172 S1207 I1208 T1209 V1213 S1214 E1215 | T1172-V1211 HydrophobicContact CG2-CG2 4.23Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.4Å; S1207-V1211 PolarHBondContact O-N 2.94Å; S1207-V1211 VanDerWaalsContact O-N 3.12Å; I1208-V1211 PolarHBondContact O-N 3.09Å; T1209-V1211 PolarHBondContact O-N 3.35Å; V1211-V1213 VanDerWaalsContact C-N 3.3Å; V1211-V1213 PolarHBondContact O-N 3.25Å; V1211-S1214 WeakPolarHBondContact O-CB 3.26Å; V1211-S1214 PolarHBondContact O-N 2.97Å; V1211-S1214 VanDerWaalsContact O-N 3.15Å; V1211-E1215 WeakPolarHBondContact O-CG 3.41Å; V1211-E1215 PolarHBondContact O-N 3.39Å |
| 1212 | L | 82.1 | Confident | 73.8 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | -179.4 | -75.8 | 171.2 | 0 | 0 | 0 | 112.4 | I1208 T1209 E1215 L1216 | I1208-L1212 HydrophobicContact CG2-CD1 3.83Å; I1208-L1212 HydrophobicContact CG2-CG 4.31Å; I1208-L1212 WeakPolarHBondContact O-CB 3.28Å; I1208-L1212 VanDerWaalsContact O-CG 3.32Å; I1208-L1212 WeakPolarHBondContact O-CG 3.21Å; I1208-L1212 PolarHBondContact O-N 3.47Å; T1209-L1212 PolarHBondContact O-N 3.17Å; L1212-E1215 PolarHBondContact O-N 3.39Å; L1212-L1216 WeakPolarHBondContact O-CB 3.47Å; L1212-L1216 WeakPolarHBondContact O-CD1 3.49Å; L1212-L1216 WeakPolarHBondContact O-CG 3.48Å; L1212-L1216 PolarHBondContact O-N 3.11Å |
| 1213 | V | 77.4 | Confident | 72.1 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.9 | -30.2 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | T1209 V1211 E1215 L1216 Q1217 L1224 L1227 | T1209-V1213 HydrophobicContact CG2-CG2 4.11Å; T1209-V1213 WeakPolarHBondContact O-CB 3.45Å; T1209-V1213 WeakPolarHBondContact O-CG2 3.27Å; T1209-V1213 PolarHBondContact O-N 3.39Å; V1211-V1213 VanDerWaalsContact C-N 3.3Å; V1211-V1213 PolarHBondContact O-N 3.25Å; V1213-E1215 VanDerWaalsContact C-N 3.31Å; V1213-E1215 PolarHBondContact O-N 3.02Å; V1213-L1216 PolarHBondContact O-N 3.47Å; V1213-Q1217 VanDerWaalsContact O-CB 3.28Å; V1213-Q1217 WeakPolarHBondContact O-CB 3.06Å; V1213-Q1217 WeakPolarHBondContact O-CG 3.34Å; V1213-L1224 HydrophobicContact CB-CD2 4.46Å; V1213-L1224 HydrophobicContact CG1-CD2 3.3Å; V1213-L1227 HydrophobicContact CB-CD1 4.15Å; V1213-L1227 HydrophobicContact CG1-CD1 4.33Å; V1213-L1227 HydrophobicContact CG2-CD1 4.25Å |
| 1214 | S | 71.4 | Confident | 70.7 | Confident | 42 Ų | 42 | 78.3 Ų | 78.3 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 171.2 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | D1210 V1211 | D1210-S1214 WeakPolarHBondContact O-CB 3.24Å; D1210-S1214 PolarHBondContact O-N 3.34Å; D1210-S1214 PolarHBondContact O-OG 2.93Å; V1211-S1214 WeakPolarHBondContact O-CB 3.26Å; V1211-S1214 PolarHBondContact O-N 2.97Å; V1211-S1214 VanDerWaalsContact O-N 3.15Å |
| 1215 | E | 74 | Confident | 69.5 | Low | 135 Ų | 135 | 79.1 Ų | 79.1 | 63% | 0.631 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.2 | -23.1 | 178.9 | -58.5 | -70.4 | 161 | 0 | 0 | 113.1 | V1211 L1212 V1213 | V1211-E1215 WeakPolarHBondContact O-CG 3.41Å; V1211-E1215 PolarHBondContact O-N 3.39Å; L1212-E1215 PolarHBondContact O-N 3.39Å; V1213-E1215 VanDerWaalsContact C-N 3.31Å; V1213-E1215 PolarHBondContact O-N 3.02Å |
| 1216 | L | 71 | Confident | 68.5 | Low | 132 Ų | 132 | 81.3 Ų | 81.3 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 12.3 | -175.9 | -69.6 | 169.4 | 0 | 0 | 0 | 113.8 | L1212 V1213 E1218 | L1212-L1216 WeakPolarHBondContact O-CB 3.47Å; L1212-L1216 WeakPolarHBondContact O-CD1 3.49Å; L1212-L1216 WeakPolarHBondContact O-CG 3.48Å; L1212-L1216 PolarHBondContact O-N 3.11Å; V1213-L1216 PolarHBondContact O-N 3.47Å; L1216-E1218 PolarHBondContact O-N 2.85Å |
| 1217 | Q | 57.9 | Low | 67.9 | Low | 92 Ų | 92 | 82.9 Ų | 82.9 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 13.8 | -151.2 | -135.6 | -176.3 | -107.8 | 0 | 0 | 117.5 | V1213 S1219 L1224 | V1213-Q1217 VanDerWaalsContact O-CB 3.28Å; V1213-Q1217 WeakPolarHBondContact O-CB 3.06Å; V1213-Q1217 WeakPolarHBondContact O-CG 3.34Å; Q1217-S1219 PolarHBondContact O-N 3.11Å; Q1217-L1224 HydrophobicContact CG-CD1 3.88Å |
| 1218 | E | 57 | Low | 67.3 | Low | 196 Ų | 196 | 87.1 Ų | 87.1 | 92% | 0.916 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7.7 | -179.9 | -66.5 | -165.5 | 145 | 0 | 0 | 114.5 | L1216 | L1216-E1218 PolarHBondContact O-N 2.85Š|
| 1219 | S | 48.6 | Very low | 66.9 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 76% | 0.762 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -131.8 | -18.3 | -155.2 | -57.4 | 0 | 0 | 0 | 0 | 120.7 | Q1217 | Q1217-S1219 PolarHBondContact O-N 3.11Š|
| 1220 | A | 48.4 | Very low | 66.7 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | trans | -151.8 | 92.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | L1222 | A1220-L1222 VanDerWaalsContact C-N 3.34Å; A1220-L1222 PolarHBondContact O-N 3.44Å | ||
| 1221 | F | 47 | Very low | 66.7 | Low | 204 Ų | 204 | 87.1 Ų | 87.1 | 90% | 0.895 | 46% | 0.461 | S | S | * | . | 51.4 | -3.9 | 123.8 | -121.7 | -88 | 0 | 0 | 0 | 124.4 | |||||
| 1222 | L | 50.7 | Low | 66.5 | Low | 142 Ų | 142 | 86.3 Ų | 86.3 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -99.4 | 153.1 | 175.1 | -85.8 | 166.1 | 0 | 0 | 0 | 112.8 | A1220 L1224 | A1220-L1222 VanDerWaalsContact C-N 3.34Å; A1220-L1222 PolarHBondContact O-N 3.44Å; L1222-L1224 VanDerWaalsContact C-N 3.32Å; L1222-L1224 WeakPolarHBondContact O-CD1 3.36Å; L1222-L1224 VanDerWaalsContact O-CG 3.23Å; L1222-L1224 WeakPolarHBondContact O-CG 3.41Å; L1222-L1224 PolarHBondContact O-N 2.74Å | ||
| 1223 | S | 54.2 | Low | 66.5 | Low | 94 Ų | 94 | 82.4 Ų | 82.4 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | trans | -77.4 | 79.4 | 179 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | G1225 F1226 | S1223-G1225 PolarHBondContact O-N 3.38Å; S1223-F1226 PolarHBondContact O-N 3.3Å | ||
| 1224 | L | 58.3 | Low | 66.9 | Low | 38 Ų | 38 | 80.3 Ų | 80.3 | 20% | 0.199 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5.8 | -161.7 | -73.7 | 142.5 | 0 | 0 | 0 | 116.2 | V1213 Q1217 L1222 F1226 L1227 | V1213-L1224 HydrophobicContact CB-CD2 4.46Å; V1213-L1224 HydrophobicContact CG1-CD2 3.3Å; Q1217-L1224 HydrophobicContact CG-CD1 3.88Å; L1222-L1224 VanDerWaalsContact C-N 3.32Å; L1222-L1224 WeakPolarHBondContact O-CD1 3.36Å; L1222-L1224 VanDerWaalsContact O-CG 3.23Å; L1222-L1224 WeakPolarHBondContact O-CG 3.41Å; L1222-L1224 PolarHBondContact O-N 2.74Å; L1224-F1226 PolarHBondContact O-N 3.35Å; L1224-L1227 HydrophobicContact CD2-CD1 4.12Å; L1224-L1227 PolarHBondContact O-N 3.48Å |
| 1225 | G | 64.6 | Low | 67.4 | Low | 23 Ų | 23 | 78.8 Ų | 78.8 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56 | -35.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1223 L1227 R1228 | S1223-G1225 PolarHBondContact O-N 3.38Å; G1225-L1227 VanDerWaalsContact C-N 3.31Å; G1225-L1227 PolarHBondContact O-N 3.47Å; G1225-R1228 WeakPolarHBondContact O-CB 3.28Å; G1225-R1228 PolarHBondContact O-N 3.2Å; G1225-R1228 VanDerWaalsContact O-N 3.12Å |
| 1226 | F | 69.6 | Low | 67.8 | Low | 126 Ų | 126 | 75 Ų | 75 | 55% | 0.553 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.2 | -32.6 | -177 | -176.1 | -98.3 | 0 | 0 | 0 | 113.8 | S1223 L1224 R1228 L1229 | S1223-F1226 PolarHBondContact O-N 3.3Å; L1224-F1226 PolarHBondContact O-N 3.35Å; F1226-R1228 VanDerWaalsContact C-N 3.27Å; F1226-R1228 PolarHBondContact O-N 2.88Å; F1226-L1229 HydrophobicContact CD2-CD2 4.36Å; F1226-L1229 HydrophobicContact CE2-CD2 3.89Å; F1226-L1229 HydrophobicContact CZ-CD2 4.4Å; F1226-L1229 WeakPolarHBondContact O-CB 3.38Å; F1226-L1229 PolarHBondContact O-N 3.33Å |
| 1227 | L | 73.6 | Confident | 68.3 | Low | 38 Ų | 38 | 69.1 Ų | 69.1 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -30.1 | 178.5 | -67.1 | -178.6 | 0 | 0 | 0 | 112.3 | T1209 D1210 V1213 L1224 G1225 L1229 F1230 | T1209-L1227 HydrophobicContact CG2-CD1 4.29Å; T1209-L1227 HydrophobicContact CG2-CD2 4.4Å; D1210-L1227 HydrophobicContact CB-CB 4.04Å; V1213-L1227 HydrophobicContact CB-CD1 4.15Å; V1213-L1227 HydrophobicContact CG1-CD1 4.33Å; V1213-L1227 HydrophobicContact CG2-CD1 4.25Å; L1224-L1227 HydrophobicContact CD2-CD1 4.12Å; L1224-L1227 PolarHBondContact O-N 3.48Å; G1225-L1227 VanDerWaalsContact C-N 3.31Å; G1225-L1227 PolarHBondContact O-N 3.47Å; L1227-L1229 PolarHBondContact O-N 3.09Å; L1227-F1230 HydrophobicContact CD2-CD2 4.49Å; L1227-F1230 HydrophobicContact CD2-CE2 4.3Å; L1227-F1230 WeakPolarHBondContact O-CB 3.22Å; L1227-F1230 WeakPolarHBondContact O-CD2 3.39Å; L1227-F1230 PolarHBondContact O-N 3.44Å |
| 1228 | R | 74.5 | Confident | 69.4 | Low | 88 Ų | 88 | 66.9 Ų | 66.9 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -24.7 | 176.8 | -54.8 | 179 | -175.9 | 161.8 | -1.1 | 112.4 | D1210 G1225 F1226 F1230 R1231 | D1210-R1228 PolarHBondContact OD1-N 3.12Å; G1225-R1228 WeakPolarHBondContact O-CB 3.28Å; G1225-R1228 PolarHBondContact O-N 3.2Å; G1225-R1228 VanDerWaalsContact O-N 3.12Å; F1226-R1228 VanDerWaalsContact C-N 3.27Å; F1226-R1228 PolarHBondContact O-N 2.88Å; R1228-F1230 PolarHBondContact O-N 2.94Å; R1228-F1230 VanDerWaalsContact O-N 3.15Å; R1228-R1231 VanDerWaalsContact O-CB 3.27Å; R1228-R1231 WeakPolarHBondContact O-CB 3.4Å; R1228-R1231 PolarHBondContact O-N 2.95Å |
| 1229 | L | 77.1 | Confident | 70.2 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56 | -30 | 174.4 | -173.3 | 62.2 | 0 | 0 | 0 | 112.2 | I141 F1226 L1227 R1231 A1232 A1233 | I141-L1229 HydrophobicContact CD1-CD1 3.67Å; I141-L1229 HydrophobicContact CG1-CD1 3.71Å; I141-L1229 HydrophobicContact CG2-CD1 4.44Å; F1226-L1229 HydrophobicContact CD2-CD2 4.36Å; F1226-L1229 HydrophobicContact CE2-CD2 3.89Å; F1226-L1229 HydrophobicContact CZ-CD2 4.4Å; F1226-L1229 WeakPolarHBondContact O-CB 3.38Å; F1226-L1229 PolarHBondContact O-N 3.33Å; L1227-L1229 PolarHBondContact O-N 3.09Å; L1229-R1231 VanDerWaalsContact C-N 3.26Å; L1229-R1231 PolarHBondContact O-N 3Å; L1229-A1232 PolarHBondContact O-N 2.98Å; L1229-A1233 WeakPolarHBondContact O-CB 3.36Å; L1229-A1233 PolarHBondContact O-N 2.86Å |
| 1230 | F | 82.3 | Confident | 71.4 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -22.2 | 175.3 | -69.6 | -70.2 | 0 | 0 | 0 | 113.6 | I1202 L1227 R1228 | I1202-F1230 HydrophobicContact CG2-CE1 4.12Å; L1227-F1230 HydrophobicContact CD2-CD2 4.49Å; L1227-F1230 HydrophobicContact CD2-CE2 4.3Å; L1227-F1230 WeakPolarHBondContact O-CB 3.22Å; L1227-F1230 WeakPolarHBondContact O-CD2 3.39Å; L1227-F1230 PolarHBondContact O-N 3.44Å; R1228-F1230 PolarHBondContact O-N 2.94Å; R1228-F1230 VanDerWaalsContact O-N 3.15Å |
| 1231 | R | 79.7 | Confident | 72.4 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -51 | 169.5 | -55.6 | -177.7 | -176 | -178.2 | 2 | 110.1 | L1133 D1210 R1228 L1229 A1233 R1234 | L1133-R1231 HydrophobicContact CD1-CB 4.28Å; L1133-R1231 HydrophobicContact CD2-CB 4.19Å; D1210-R1231 IonicContact OD1-NE 2.62Å; D1210-R1231 IonicContact OD1-NH2 2.87Å; D1210-R1231 IonicContact OD2-CZ 2.68Å; D1210-R1231 IonicContact OD2-NE 3.33Å; D1210-R1231 PolarHBondContact OD2-NE 3.29Å; D1210-R1231 IonicContact OD2-NH2 3.19Å; D1210-R1231 PolarHBondContact OD2-NH2 2.92Å; R1228-R1231 VanDerWaalsContact O-CB 3.27Å; R1228-R1231 WeakPolarHBondContact O-CB 3.4Å; R1228-R1231 PolarHBondContact O-N 2.95Å; L1229-R1231 VanDerWaalsContact C-N 3.26Å; L1229-R1231 PolarHBondContact O-N 3Å; R1231-A1233 PolarHBondContact O-N 2.97Å; R1231-R1234 VanDerWaalsContact O-CB 3.31Å; R1231-R1234 WeakPolarHBondContact O-CB 3.24Å; R1231-R1234 WeakPolarHBondContact O-CG 3.2Å; R1231-R1234 PolarHBondContact O-N 3.25Å |
| 1232 | A | 77.8 | Confident | 73.5 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I140 I141 L1229 R1234 L1235 | I140-A1232 HydrophobicContact CG2-CB 4.02Å; I141-A1232 HydrophobicContact CG1-CB 4.32Å; L1229-A1232 PolarHBondContact O-N 2.98Å; A1232-R1234 PolarHBondContact O-N 3.08Å; A1232-L1235 WeakPolarHBondContact O-CB 3.19Å; A1232-L1235 PolarHBondContact O-N 2.85Å |
| 1233 | A | 82.4 | Confident | 74.2 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1199 T1203 L1229 R1231 L1235 I1236 | F1199-A1233 WeakPolarHBondContact CE1-O 3.39Å; F1199-A1233 HydrophobicContact CZ-CB 4.32Å; F1199-A1233 VanDerWaalsContact CZ-O 3.31Å; F1199-A1233 WeakPolarHBondContact CZ-O 3.29Å; T1203-A1233 HydrophobicContact CG2-CB 3.97Å; L1229-A1233 WeakPolarHBondContact O-CB 3.36Å; L1229-A1233 PolarHBondContact O-N 2.86Å; R1231-A1233 PolarHBondContact O-N 2.97Å; A1233-L1235 PolarHBondContact O-N 3.03Å; A1233-I1236 WeakPolarHBondContact O-CB 3.48Å; A1233-I1236 PolarHBondContact O-N 3.24Å |
| 1234 | R | 84 | Confident | 74.8 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.1 | 171.4 | -63.5 | 173.1 | 175.9 | 174.4 | -0.2 | 112.4 | N1129 T1172 S1207 R1231 A1232 I1236 K1237 | N1129-R1234 PolarHBondContact OD1-NH1 3.37Å; T1172-R1234 VanDerWaalsContact CA-NH2 3.31Å; T1172-R1234 PolarHBondContact OG1-NH2 3.39Å; S1207-R1234 PolarHBondContact OG-NH2 3.07Å; R1231-R1234 VanDerWaalsContact O-CB 3.31Å; R1231-R1234 WeakPolarHBondContact O-CB 3.24Å; R1231-R1234 WeakPolarHBondContact O-CG 3.2Å; R1231-R1234 PolarHBondContact O-N 3.25Å; A1232-R1234 PolarHBondContact O-N 3.08Å; R1234-I1236 PolarHBondContact O-N 3.4Å; R1234-K1237 VanDerWaalsContact O-CB 3.24Å; R1234-K1237 WeakPolarHBondContact O-CB 3.35Å; R1234-K1237 WeakPolarHBondContact O-CG 3Å; R1234-K1237 PolarHBondContact O-N 3.24Å; R1234-K1237 VanDerWaalsContact O-N 3.1Å |
| 1235 | L | 81.7 | Confident | 75.3 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -58.1 | -37.8 | -179.9 | 177.3 | 51.7 | 0 | 0 | 0 | 111.8 | F133 I136 I137 I140 T1130 A1232 A1233 K1237 L1238 | F133-L1235 HydrophobicContact CD2-CD1 4.39Å; F133-L1235 HydrophobicContact CE2-CD1 3.47Å; F133-L1235 VanDerWaalsContact CE2-CD1 3.47Å; F133-L1235 HydrophobicContact CE2-CG 3.83Å; F133-L1235 HydrophobicContact CZ-CD1 3.89Å; F133-L1235 HydrophobicContact CZ-CG 3.79Å; F133-L1235 WeakPolarHBondContact CZ-O 3.32Å; I136-L1235 HydrophobicContact CG2-CD2 3.9Å; I137-L1235 HydrophobicContact CD1-CD2 4.48Å; I137-L1235 HydrophobicContact CG1-CD2 3.59Å; I137-L1235 HydrophobicContact CG1-CG 4.1Å; I140-L1235 HydrophobicContact CD1-CD2 4.26Å; T1130-L1235 HydrophobicContact CG2-CD1 3.88Å; T1130-L1235 HydrophobicContact CG2-CD2 3.96Å; T1130-L1235 HydrophobicContact CG2-CG 4.46Å; A1232-L1235 WeakPolarHBondContact O-CB 3.19Å; A1232-L1235 PolarHBondContact O-N 2.85Å; A1233-L1235 PolarHBondContact O-N 3.03Å; L1235-K1237 PolarHBondContact O-N 3.18Å; L1235-L1238 HydrophobicContact CD1-CD1 3.74Å; L1235-L1238 HydrophobicContact CD1-CG 4.32Å; L1235-L1238 WeakPolarHBondContact O-CB 3.36Å; L1235-L1238 PolarHBondContact O-N 3.16Å |
| 1236 | I | 83 | Confident | 75.7 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 29% | 0.287 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -54.1 | -30.2 | 178.9 | -64.7 | 169.5 | 0 | 0 | 0 | 111.4 | I137 W1196 F1199 A1233 R1234 L1238 L1239 | I137-I1236 HydrophobicContact CD1-CG1 4.14Å; W1196-I1236 HydrophobicContact CH2-CG2 3.8Å; W1196-I1236 VanDerWaalsContact CH2-O 3.23Å; W1196-I1236 WeakPolarHBondContact CH2-O 3.06Å; W1196-I1236 HydrophobicContact CZ3-CG2 4.34Å; F1199-I1236 HydrophobicContact CE1-CB 4.13Å; F1199-I1236 HydrophobicContact CE1-CG2 4.14Å; F1199-I1236 HydrophobicContact CZ-CB 3.9Å; F1199-I1236 HydrophobicContact CZ-CD1 4.22Å; F1199-I1236 HydrophobicContact CZ-CG2 3.87Å; A1233-I1236 WeakPolarHBondContact O-CB 3.48Å; A1233-I1236 PolarHBondContact O-N 3.24Å; R1234-I1236 PolarHBondContact O-N 3.4Å; I1236-L1238 PolarHBondContact O-N 2.8Å; I1236-L1238 VanDerWaalsContact O-N 3.08Å; I1236-L1239 HydrophobicContact CG2-CD1 4.42Å; I1236-L1239 WeakPolarHBondContact O-CB 3.41Å; I1236-L1239 PolarHBondContact O-N 3.03Å; I1236-L1239 VanDerWaalsContact O-N 3.15Å |
| 1237 | K | 82.6 | Confident | 75.7 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -58.5 | -19.1 | 175.4 | -60.4 | -179 | -173.6 | -175.8 | 0 | 114.5 | I1126 W1196 F1199 D1200 T1203 R1234 L1235 R1240 | I1126-K1237 HydrophobicContact CD1-CB 3.77Å; I1126-K1237 HydrophobicContact CD1-CD 4.19Å; W1196-K1237 HydrophobicContact CZ3-CB 4.29Å; W1196-K1237 HydrophobicContact CZ3-CG 4.04Å; F1199-K1237 HydrophobicContact CD1-CG 4.03Å; F1199-K1237 HydrophobicContact CE1-CG 3.9Å; D1200-K1237 IonicContact OD1-NZ 2.73Å; D1200-K1237 PolarHBondContact OD1-NZ 3.24Å; T1203-K1237 WeakPolarHBondContact OG1-CE 3.36Å; T1203-K1237 PolarHBondContact OG1-NZ 3.36Å; R1234-K1237 VanDerWaalsContact O-CB 3.24Å; R1234-K1237 WeakPolarHBondContact O-CB 3.35Å; R1234-K1237 WeakPolarHBondContact O-CG 3Å; R1234-K1237 PolarHBondContact O-N 3.24Å; R1234-K1237 VanDerWaalsContact O-N 3.1Å; L1235-K1237 PolarHBondContact O-N 3.18Å; K1237-R1240 WeakPolarHBondContact O-CB 3.5Å |
| 1238 | L | 79.5 | Confident | 75.5 | Confident | 45 Ų | 45 | 32.2 Ų | 32.2 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -71.8 | -31.9 | 176.5 | -65.5 | -172.3 | 0 | 0 | 0 | 113.4 | F133 M1123 I1126 L1235 I1236 R1240 Q1241 | F133-L1238 HydrophobicContact CE2-CB 4.17Å; F133-L1238 HydrophobicContact CE2-CD1 4.43Å; F133-L1238 HydrophobicContact CZ-CB 4.38Å; M1123-L1238 HydrophobicContact CG-CD2 3.74Å; I1126-L1238 HydrophobicContact CB-CD2 3.9Å; I1126-L1238 HydrophobicContact CB-CG 4.43Å; I1126-L1238 HydrophobicContact CD1-CD2 4.27Å; I1126-L1238 HydrophobicContact CG2-CD1 4.24Å; I1126-L1238 HydrophobicContact CG2-CD2 3.76Å; I1126-L1238 HydrophobicContact CG2-CG 3.73Å; L1235-L1238 HydrophobicContact CD1-CD1 3.74Å; L1235-L1238 HydrophobicContact CD1-CG 4.32Å; L1235-L1238 WeakPolarHBondContact O-CB 3.36Å; L1235-L1238 PolarHBondContact O-N 3.16Å; I1236-L1238 PolarHBondContact O-N 2.8Å; I1236-L1238 VanDerWaalsContact O-N 3.08Å; L1238-R1240 PolarHBondContact O-N 3.21Å; L1238-R1240 VanDerWaalsContact O-N 3.09Å; L1238-Q1241 PolarHBondContact O-N 3Å |
| 1239 | L | 75 | Confident | 75.3 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.5 | 179.9 | -67.6 | 174.6 | 0 | 0 | 0 | 112.7 | L130 F133 I1236 Q1241 G1242 I1245 L1249 | L130-L1239 HydrophobicContact CD1-CD2 4.13Å; F133-L1239 HydrophobicContact CD1-CD2 3.75Å; F133-L1239 HydrophobicContact CD1-CG 4.3Å; F133-L1239 HydrophobicContact CE1-CD1 3.86Å; F133-L1239 HydrophobicContact CE1-CD2 3.47Å; F133-L1239 VanDerWaalsContact CE1-CD2 3.47Å; F133-L1239 HydrophobicContact CE1-CG 3.51Å; F133-L1239 HydrophobicContact CZ-CD2 4.01Å; F133-L1239 HydrophobicContact CZ-CG 3.87Å; I1236-L1239 HydrophobicContact CG2-CD1 4.42Å; I1236-L1239 WeakPolarHBondContact O-CB 3.41Å; I1236-L1239 PolarHBondContact O-N 3.03Å; I1236-L1239 VanDerWaalsContact O-N 3.15Å; L1239-Q1241 VanDerWaalsContact C-N 3.27Å; L1239-Q1241 PolarHBondContact O-N 2.84Å; L1239-G1242 PolarHBondContact O-N 3.25Å; L1239-I1245 HydrophobicContact CD2-CG2 3.86Å; L1239-L1249 HydrophobicContact CD1-CD2 4.21Å |
| 1240 | R | 74.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 6% | 0.057 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -34.2 | 179.6 | -168.8 | 173.1 | -174.6 | -147.9 | -2.8 | 114.6 | W1196 K1237 L1238 L1830 C1831 | W1196-R1240 HydrophobicContact CD2-CB 4.39Å; W1196-R1240 HydrophobicContact CD2-CG 4.03Å; W1196-R1240 HydrophobicContact CG-CG 4.03Å; W1196-R1240 VanDerWaalsContact CG-NE 3.29Å; W1196-R1240 HydrophobicContact CH2-CB 4.49Å; W1196-R1240 HydrophobicContact CZ2-CB 3.89Å; W1196-R1240 HydrophobicContact CZ2-CG 4.36Å; K1237-R1240 WeakPolarHBondContact O-CB 3.5Å; L1238-R1240 PolarHBondContact O-N 3.21Å; L1238-R1240 VanDerWaalsContact O-N 3.09Å; R1240-L1830 HydrophobicContact CG-CB 4.44Å; R1240-L1830 HydrophobicContact CG-CD1 4.04Å; R1240-L1830 HydrophobicContact CG-CG 3.88Å; R1240-L1830 VanDerWaalsContact CZ-CD2 3.49Å; R1240-C1831 PolarHBondContact NH2-SG 3.43Å |
| 1241 | Q | 69.4 | Low | 74.5 | Confident | 48 Ų | 48 | 29.6 Ų | 29.6 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -29.6 | -177.7 | -159.9 | 77.4 | -12 | 0 | 0 | 113.1 | E1119 M1123 L1238 L1239 Y1243 | E1119-Q1241 PolarHBondContact OE2-NE2 3.4Å; E1119-Q1241 PolarHBondContact OE2-OE1 3.48Å; M1123-Q1241 HydrophobicContact CE-CB 4.07Å; M1123-Q1241 HydrophobicContact CE-CG 3.47Å; M1123-Q1241 VanDerWaalsContact CE-CG 3.47Å; M1123-Q1241 HydrophobicContact SD-CG 4.37Å; L1238-Q1241 PolarHBondContact O-N 3Å; L1239-Q1241 VanDerWaalsContact C-N 3.27Å; L1239-Q1241 PolarHBondContact O-N 2.84Å; Q1241-Y1243 VanDerWaalsContact C-N 3.28Å; Q1241-Y1243 PolarHBondContact O-N 3.24Å |
| 1242 | G | 68.5 | Low | 73.9 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 23% | 0.227 | 15% | 0.146 | C | C | . | . | trans | -69.8 | 85.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1239 S1244 I1245 R1246 | L1239-G1242 PolarHBondContact O-N 3.25Å; G1242-S1244 PolarHBondContact O-N 3.44Å; G1242-I1245 CarbonylContact O-C 3.56Å; G1242-I1245 WeakPolarHBondContact O-CA 3.42Å; G1242-I1245 VanDerWaalsContact O-CB 3.3Å; G1242-I1245 WeakPolarHBondContact O-CB 3.37Å; G1242-I1245 PolarHBondContact O-N 3.17Å; G1242-R1246 PolarHBondContact O-N 3.05Å | ||
| 1243 | Y | 67.3 | Low | 73.7 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.8 | -51.8 | -170 | 175.4 | -90.9 | 0 | 0 | 0 | 112.4 | Q1241 I1245 R1246 I1247 S1823 E1824 | Q1241-Y1243 VanDerWaalsContact C-N 3.28Å; Q1241-Y1243 PolarHBondContact O-N 3.24Å; Y1243-I1245 VanDerWaalsContact C-N 3.28Å; Y1243-I1245 PolarHBondContact O-N 2.91Å; Y1243-R1246 WeakPolarHBondContact O-CB 3.33Å; Y1243-R1246 PolarHBondContact O-N 3.36Å; Y1243-R1246 VanDerWaalsContact O-N 3.14Å; Y1243-I1247 HydrophobicContact CD1-CD1 4.23Å; Y1243-I1247 HydrophobicContact CE1-CD1 3.21Å; Y1243-I1247 HydrophobicContact CE1-CG1 3.76Å; Y1243-I1247 PolarHBondContact O-N 2.99Å; Y1243-I1247 VanDerWaalsContact OH-CD1 3.25Å; Y1243-I1247 WeakPolarHBondContact OH-CD1 3.44Å; Y1243-I1247 WeakPolarHBondContact OH-CG1 3.38Å; Y1243-S1823 WeakPolarHBondContact CE2-O 3.45Å; Y1243-S1823 WeakPolarHBondContact OH-CA 3.44Å; Y1243-S1823 PolarHBondContact OH-N 2.98Å; Y1243-S1823 PolarHBondContact OH-O 3.36Å; Y1243-E1824 HydrophobicContact CD1-CB 3.92Å; Y1243-E1824 HydrophobicContact CD1-CG 3.6Å; Y1243-E1824 HydrophobicContact CE1-CB 3.28Å; Y1243-E1824 HydrophobicContact CE1-CG 3.43Å; Y1243-E1824 VanDerWaalsContact CE1-CG 3.43Å; Y1243-E1824 WeakPolarHBondContact CE1-OE1 3.33Å |
| 1244 | S | 65.6 | Low | 73 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.7 | -23 | 176.4 | -40.1 | 0 | 0 | 0 | 0 | 113.1 | G1242 I1247 I1248 E1824 | G1242-S1244 PolarHBondContact O-N 3.44Å; S1244-I1247 WeakPolarHBondContact O-CB 3.33Å; S1244-I1248 VanDerWaalsContact O-CB 3.31Å; S1244-I1248 WeakPolarHBondContact O-CB 3.4Å; S1244-I1248 WeakPolarHBondContact O-CD1 3.29Å; S1244-I1248 WeakPolarHBondContact O-CG1 3.14Å; S1244-I1248 PolarHBondContact O-N 3.02Å; S1244-E1824 PolarHBondContact OG-OE1 3.4Å |
| 1245 | I | 68.9 | Low | 72.3 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 17% | 0.174 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.2 | -37.3 | 171.1 | -48.7 | 176.8 | 0 | 0 | 0 | 110.1 | L129 L130 L1239 G1242 Y1243 I1248 L1249 | L129-I1245 HydrophobicContact CD2-CD1 3.6Å; L130-I1245 HydrophobicContact CD1-CG2 4.01Å; L1239-I1245 HydrophobicContact CD2-CG2 3.86Å; G1242-I1245 CarbonylContact O-C 3.56Å; G1242-I1245 WeakPolarHBondContact O-CA 3.42Å; G1242-I1245 VanDerWaalsContact O-CB 3.3Å; G1242-I1245 WeakPolarHBondContact O-CB 3.37Å; G1242-I1245 PolarHBondContact O-N 3.17Å; Y1243-I1245 VanDerWaalsContact C-N 3.28Å; Y1243-I1245 PolarHBondContact O-N 2.91Å; I1245-I1248 PolarHBondContact O-N 3.31Å; I1245-L1249 WeakPolarHBondContact O-CB 3.5Å; I1245-L1249 PolarHBondContact O-N 3.49Å |
| 1246 | R | 72.9 | Confident | 71.8 | Confident | 71 Ų | 71 | 30.3 Ų | 30.3 | 27% | 0.268 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66 | -38.7 | 174.6 | -167.1 | 179.2 | 71.9 | -140 | 8.5 | 111.3 | G1242 Y1243 W1250 | G1242-R1246 PolarHBondContact O-N 3.05Å; Y1243-R1246 WeakPolarHBondContact O-CB 3.33Å; Y1243-R1246 PolarHBondContact O-N 3.36Å; Y1243-R1246 VanDerWaalsContact O-N 3.14Å; R1246-W1250 VanDerWaalsContact O-CB 3.3Å; R1246-W1250 WeakPolarHBondContact O-CB 3.07Å; R1246-W1250 PolarHBondContact O-N 3.31Å |
| 1247 | I | 69.8 | Low | 71.1 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.2 | -62.7 | 165.7 | -72.3 | 171.5 | 0 | 0 | 0 | 109.9 | Y1243 S1244 L1249 W1250 T1251 Y1371 E1822 | Y1243-I1247 HydrophobicContact CD1-CD1 4.23Å; Y1243-I1247 HydrophobicContact CE1-CD1 3.21Å; Y1243-I1247 HydrophobicContact CE1-CG1 3.76Å; Y1243-I1247 PolarHBondContact O-N 2.99Å; Y1243-I1247 VanDerWaalsContact OH-CD1 3.25Å; Y1243-I1247 WeakPolarHBondContact OH-CD1 3.44Å; Y1243-I1247 WeakPolarHBondContact OH-CG1 3.38Å; S1244-I1247 WeakPolarHBondContact O-CB 3.33Å; I1247-L1249 PolarHBondContact O-N 2.89Å; I1247-W1250 PolarHBondContact O-N 3.05Å; I1247-T1251 HydrophobicContact CG2-CG2 4.33Å; I1247-T1251 PolarHBondContact O-N 2.64Å; I1247-T1251 PolarHBondContact O-OG1 2.88Å; I1247-Y1371 WeakPolarHBondContact CD1-OH 3.16Å; I1247-Y1371 HydrophobicContact CG2-CD1 4.45Å; I1247-Y1371 HydrophobicContact CG2-CE1 3.51Å; I1247-Y1371 HydrophobicContact CG2-CE2 4.09Å; I1247-Y1371 VanDerWaalsContact CG2-OH 3.27Å; I1247-Y1371 WeakPolarHBondContact CG2-OH 3.25Å; I1247-E1822 VanDerWaalsContact CA-OE1 3.25Å; I1247-E1822 WeakPolarHBondContact CA-OE1 3.32Å; I1247-E1822 HydrophobicContact CG1-CB 4.3Å; I1247-E1822 HydrophobicContact CG1-CG 4.09Å; I1247-E1822 WeakPolarHBondContact CG2-OE2 3.33Å |
| 1248 | I | 68.9 | Low | 70.3 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -24.3 | -170.2 | -73.1 | 167.3 | 0 | 0 | 0 | 110.7 | Q126 L130 L269 S1244 I1245 F1252 | Q126-I1248 HydrophobicContact CB-CD1 4.18Å; L130-I1248 HydrophobicContact CD2-CG2 4.19Å; L269-I1248 HydrophobicContact CD1-CG2 4.06Å; L269-I1248 HydrophobicContact CD2-CG2 3.6Å; L269-I1248 HydrophobicContact CG-CG2 4.06Å; S1244-I1248 VanDerWaalsContact O-CB 3.31Å; S1244-I1248 WeakPolarHBondContact O-CB 3.4Å; S1244-I1248 WeakPolarHBondContact O-CD1 3.29Å; S1244-I1248 WeakPolarHBondContact O-CG1 3.14Å; S1244-I1248 PolarHBondContact O-N 3.02Å; I1245-I1248 PolarHBondContact O-N 3.31Å; I1248-F1252 WeakPolarHBondContact O-CB 3.38Å |
| 1249 | L | 70 | Confident | 69.8 | Low | 46 Ų | 46 | 29.2 Ų | 29.2 | 24% | 0.241 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -82.4 | -34.2 | 170.3 | -173 | 65.3 | 0 | 0 | 0 | 113.7 | L1239 I1245 I1247 F1252 I1253 | L1239-L1249 HydrophobicContact CD1-CD2 4.21Å; I1245-L1249 WeakPolarHBondContact O-CB 3.5Å; I1245-L1249 PolarHBondContact O-N 3.49Å; I1247-L1249 PolarHBondContact O-N 2.89Å; L1249-F1252 HydrophobicContact CD1-CD1 4.34Å; L1249-F1252 WeakPolarHBondContact O-CB 3.49Å; L1249-I1253 HydrophobicContact CG-CG1 4.45Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; L1249-I1253 PolarHBondContact O-N 3.08Å |
| 1250 | W | 75.7 | Confident | 69.6 | Low | 80 Ų | 80 | 31.3 Ų | 31.3 | 30% | 0.303 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -85.6 | -51.5 | -176.7 | 174.8 | -88 | 0 | 0 | 0 | 114.7 | R1246 I1247 F1252 I1253 Q1254 D1821 E1822 | R1246-W1250 VanDerWaalsContact O-CB 3.3Å; R1246-W1250 WeakPolarHBondContact O-CB 3.07Å; R1246-W1250 PolarHBondContact O-N 3.31Å; I1247-W1250 PolarHBondContact O-N 3.05Å; W1250-F1252 CarbonylContact O-C 3.54Å; W1250-F1252 PolarHBondContact O-N 3.45Å; W1250-F1252 VanDerWaalsContact O-N 3.12Å; W1250-I1253 HydrophobicContact CD2-CB 4.49Å; W1250-I1253 HydrophobicContact CE3-CB 4.07Å; W1250-I1253 HydrophobicContact CE3-CG1 4.41Å; W1250-I1253 HydrophobicContact CE3-CG2 3.91Å; W1250-I1253 HydrophobicContact CH2-CG2 4.5Å; W1250-I1253 HydrophobicContact CZ3-CG2 3.85Å; W1250-I1253 CarbonylContact O-C 3.59Å; W1250-I1253 WeakPolarHBondContact O-CA 3.27Å; W1250-I1253 WeakPolarHBondContact O-CB 3.41Å; W1250-I1253 PolarHBondContact O-N 3.46Å; W1250-Q1254 WeakPolarHBondContact O-CB 3.36Å; W1250-Q1254 PolarHBondContact O-N 3.33Å; W1250-D1821 PolarHBondContact NE1-OD1 3.04Å; W1250-E1822 HydrophobicContact CB-CG 4.45Å; W1250-E1822 VanDerWaalsContact CB-OE1 3.3Å; W1250-E1822 WeakPolarHBondContact CB-OE1 3.45Å; W1250-E1822 HydrophobicContact CG-CG 4.42Å |
| 1251 | T | 67.3 | Low | 69.6 | Low | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -45.7 | -40.7 | 163.7 | 42.7 | 0 | 0 | 0 | 0 | 111.4 | I1247 Q1254 S1255 N1368 Y1371 E1822 | I1247-T1251 HydrophobicContact CG2-CG2 4.33Å; I1247-T1251 PolarHBondContact O-N 2.64Å; I1247-T1251 PolarHBondContact O-OG1 2.88Å; T1251-Q1254 WeakPolarHBondContact O-CB 3.34Å; T1251-Q1254 PolarHBondContact O-N 3.45Å; T1251-S1255 PolarHBondContact O-N 3.28Å; T1251-S1255 VanDerWaalsContact O-N 3.14Å; T1251-N1368 PolarHBondContact O-OD1 3.46Å; T1251-Y1371 HydrophobicContact CG2-CD1 3.89Å; T1251-Y1371 HydrophobicContact CG2-CD2 3.23Å; T1251-Y1371 HydrophobicContact CG2-CE1 4.3Å; T1251-Y1371 HydrophobicContact CG2-CE2 3.65Å; T1251-Y1371 HydrophobicContact CG2-CG 3.42Å; T1251-Y1371 VanDerWaalsContact CG2-CG 3.42Å; T1251-E1822 WeakPolarHBondContact CG2-OE1 3.36Å; T1251-E1822 VanDerWaalsContact CG2-OE2 3.22Å; T1251-E1822 WeakPolarHBondContact CG2-OE2 3.49Å; T1251-E1822 PolarHBondContact N-OE1 2.65Å |
| 1252 | F | 67.3 | Low | 69.8 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -57.7 | 168.3 | 175.4 | -116.8 | 0 | 0 | 0 | 113.1 | F265 I1248 L1249 W1250 Q1254 S1255 I1256 R2120 T2121 | F265-F1252 HydrophobicContact CB-CZ 4.25Å; F265-F1252 AromaticContact CD1-CE1 3.73Å; F265-F1252 HydrophobicContact CD1-CE1 3.73Å; F265-F1252 AromaticContact CD1-CZ 3.73Å; F265-F1252 HydrophobicContact CD1-CZ 3.73Å; F265-F1252 HydrophobicContact CD2-CD1 4.36Å; F265-F1252 AromaticContact CD2-CD2 3.87Å; F265-F1252 HydrophobicContact CD2-CD2 3.87Å; F265-F1252 AromaticContact CD2-CE1 3.64Å; F265-F1252 HydrophobicContact CD2-CE1 3.64Å; F265-F1252 AromaticContact CD2-CE2 3.09Å; F265-F1252 HydrophobicContact CD2-CE2 3.09Å; F265-F1252 HydrophobicContact CD2-CG 4.43Å; F265-F1252 AromaticContact CD2-CZ 2.93Å; F265-F1252 HydrophobicContact CD2-CZ 2.93Å; F265-F1252 AromaticContact CE1-CD1 3.94Å; F265-F1252 HydrophobicContact CE1-CD1 3.94Å; F265-F1252 AromaticContact CE1-CE1 3.41Å; F265-F1252 HydrophobicContact CE1-CE1 3.41Å; F265-F1252 VanDerWaalsContact CE1-CE1 3.41Å; F265-F1252 AromaticContact CE1-CZ 3.8Å; F265-F1252 HydrophobicContact CE1-CZ 3.8Å; F265-F1252 AromaticContact CE2-CD1 3.65Å; F265-F1252 HydrophobicContact CE2-CD1 3.65Å; F265-F1252 AromaticContact CE2-CD2 3.33Å; F265-F1252 HydrophobicContact CE2-CD2 3.33Å; F265-F1252 AromaticContact CE2-CE1 3.37Å; F265-F1252 HydrophobicContact CE2-CE1 3.37Å; F265-F1252 AromaticContact CE2-CE2 3.05Å; F265-F1252 HydrophobicContact CE2-CE2 3.05Å; F265-F1252 AromaticContact CE2-CG 3.61Å; F265-F1252 HydrophobicContact CE2-CG 3.61Å; F265-F1252 AromaticContact CE2-CZ 3.07Å; F265-F1252 HydrophobicContact CE2-CZ 3.07Å; F265-F1252 AromaticContact CG-CE1 3.85Å; F265-F1252 HydrophobicContact CG-CE1 3.85Å; F265-F1252 AromaticContact CG-CE2 3.98Å; F265-F1252 HydrophobicContact CG-CE2 3.98Å; F265-F1252 AromaticContact CG-CZ 3.33Å; F265-F1252 HydrophobicContact CG-CZ 3.33Å; F265-F1252 AromaticContact CZ-CD1 3.38Å; F265-F1252 HydrophobicContact CZ-CD1 3.38Å; F265-F1252 AromaticContact CZ-CD2 3.96Å; F265-F1252 HydrophobicContact CZ-CD2 3.96Å; F265-F1252 AromaticContact CZ-CE1 3.23Å; F265-F1252 HydrophobicContact CZ-CE1 3.23Å; F265-F1252 AromaticContact CZ-CE2 3.86Å; F265-F1252 HydrophobicContact CZ-CE2 3.86Å; F265-F1252 AromaticContact CZ-CG 3.73Å; F265-F1252 HydrophobicContact CZ-CG 3.73Å; F265-F1252 AromaticContact CZ-CZ 3.5Å; F265-F1252 HydrophobicContact CZ-CZ 3.5Å; F265-F1252 VanDerWaalsContact CZ-CZ 3.5Å; I1248-F1252 WeakPolarHBondContact O-CB 3.38Å; L1249-F1252 HydrophobicContact CD1-CD1 4.34Å; L1249-F1252 WeakPolarHBondContact O-CB 3.49Å; W1250-F1252 CarbonylContact O-C 3.54Å; W1250-F1252 PolarHBondContact O-N 3.45Å; W1250-F1252 VanDerWaalsContact O-N 3.12Å; F1252-Q1254 PolarHBondContact O-N 2.95Å; F1252-S1255 PolarHBondContact O-N 3.5Å; F1252-S1255 VanDerWaalsContact O-N 3.13Å; F1252-S1255 PolarHBondContact O-OG 2.98Å; F1252-I1256 HydrophobicContact CD1-CD1 4.18Å; F1252-I1256 HydrophobicContact CD2-CD1 3.72Å; F1252-I1256 HydrophobicContact CE1-CD1 3.82Å; F1252-I1256 HydrophobicContact CE2-CD1 3.27Å; F1252-I1256 HydrophobicContact CE2-CG1 4.43Å; F1252-I1256 HydrophobicContact CG-CD1 4.13Å; F1252-I1256 HydrophobicContact CZ-CD1 3.33Å; F1252-I1256 HydrophobicContact CZ-CG1 4.5Å; F1252-I1256 WeakPolarHBondContact O-CD1 3.44Å; F1252-R2120 HydrophobicContact CE1-CG 4.36Å; F1252-R2120 HydrophobicContact CZ-CG 3.94Å; F1252-T2121 HydrophobicContact CD2-CG2 4.42Å; F1252-T2121 HydrophobicContact CE2-CG2 3.16Å; F1252-T2121 HydrophobicContact CZ-CG2 3.38Å |
| 1253 | I | 73.4 | Confident | 70.2 | Confident | 51 Ų | 51 | 32.4 Ų | 32.4 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -43.9 | -35.5 | 175.6 | -65.4 | -129.8 | 0 | 0 | 0 | 112.4 | L1249 W1250 R2120 | L1249-I1253 HydrophobicContact CG-CG1 4.45Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; L1249-I1253 PolarHBondContact O-N 3.08Å; W1250-I1253 HydrophobicContact CD2-CB 4.49Å; W1250-I1253 HydrophobicContact CE3-CB 4.07Å; W1250-I1253 HydrophobicContact CE3-CG1 4.41Å; W1250-I1253 HydrophobicContact CE3-CG2 3.91Å; W1250-I1253 HydrophobicContact CH2-CG2 4.5Å; W1250-I1253 HydrophobicContact CZ3-CG2 3.85Å; W1250-I1253 CarbonylContact O-C 3.59Å; W1250-I1253 WeakPolarHBondContact O-CA 3.27Å; W1250-I1253 WeakPolarHBondContact O-CB 3.41Å; W1250-I1253 PolarHBondContact O-N 3.46Å; I1253-R2120 VanDerWaalsContact CD1-NH2 3.31Å |
| 1254 | Q | 68 | Low | 70.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -76 | -47.3 | -175.2 | 174.3 | 147.1 | -68.6 | 0 | 0 | 114.5 | W1250 T1251 F1252 I1256 K1257 D1821 H1861 | W1250-Q1254 WeakPolarHBondContact O-CB 3.36Å; W1250-Q1254 PolarHBondContact O-N 3.33Å; T1251-Q1254 WeakPolarHBondContact O-CB 3.34Å; T1251-Q1254 PolarHBondContact O-N 3.45Å; F1252-Q1254 PolarHBondContact O-N 2.95Å; Q1254-I1256 PolarHBondContact O-N 2.88Å; Q1254-I1256 VanDerWaalsContact O-N 3.09Å; Q1254-K1257 VanDerWaalsContact O-CB 3.31Å; Q1254-K1257 WeakPolarHBondContact O-CB 3.1Å; Q1254-K1257 WeakPolarHBondContact O-CG 3.43Å; Q1254-K1257 PolarHBondContact O-N 3.46Å; Q1254-D1821 VanDerWaalsContact NE2-CG 3.26Å; Q1254-D1821 PolarHBondContact NE2-OD1 3.43Å; Q1254-D1821 PolarHBondContact NE2-OD2 3.37Å; Q1254-D1821 PolarHBondContact OE1-OD1 2.85Å; Q1254-H1861 VanDerWaalsContact CG-CE1 3.48Å; Q1254-H1861 WeakPolarHBondContact CG-CE1 3.38Å; Q1254-H1861 WeakPolarHBondContact CG-ND1 3.28Å; Q1254-H1861 PolarHBondContact NE2-CE1 3.49Å; Q1254-H1861 PolarHBondContact NE2-ND1 3.38Å; Q1254-H1861 PolarHBondContact OE1-CE1 3Å |
| 1255 | S | 68.6 | Low | 71.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53 | -32.6 | 174.6 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | T1251 F1252 K1257 A1258 L1259 N1368 | T1251-S1255 PolarHBondContact O-N 3.28Å; T1251-S1255 VanDerWaalsContact O-N 3.14Å; F1252-S1255 PolarHBondContact O-N 3.5Å; F1252-S1255 VanDerWaalsContact O-N 3.13Å; F1252-S1255 PolarHBondContact O-OG 2.98Å; S1255-K1257 PolarHBondContact O-N 3.23Å; S1255-K1257 VanDerWaalsContact O-N 3.11Å; S1255-A1258 PolarHBondContact O-N 2.95Å; S1255-L1259 WeakPolarHBondContact O-CG 3.49Å; S1255-N1368 WeakPolarHBondContact CB-ND2 2.91Å; S1255-N1368 PolarHBondContact OG-ND2 3.24Å |
| 1256 | I | 71.2 | Confident | 72.1 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.8 | 175.9 | -73.1 | 116.2 | 0 | 0 | 0 | 115.3 | F1252 Q1254 A1258 L1259 P1260 K2119 R2120 T2121 | F1252-I1256 HydrophobicContact CD1-CD1 4.18Å; F1252-I1256 HydrophobicContact CD2-CD1 3.72Å; F1252-I1256 HydrophobicContact CE1-CD1 3.82Å; F1252-I1256 HydrophobicContact CE2-CD1 3.27Å; F1252-I1256 HydrophobicContact CE2-CG1 4.43Å; F1252-I1256 HydrophobicContact CG-CD1 4.13Å; F1252-I1256 HydrophobicContact CZ-CD1 3.33Å; F1252-I1256 HydrophobicContact CZ-CG1 4.5Å; F1252-I1256 WeakPolarHBondContact O-CD1 3.44Å; Q1254-I1256 PolarHBondContact O-N 2.88Å; Q1254-I1256 VanDerWaalsContact O-N 3.09Å; I1256-A1258 PolarHBondContact O-N 2.88Å; I1256-L1259 HydrophobicContact CB-CD1 4.37Å; I1256-L1259 HydrophobicContact CG1-CD1 3.77Å; I1256-P1260 WeakPolarHBondContact O-CD 3.39Å; I1256-K2119 HydrophobicContact CG2-CB 4.37Å; I1256-K2119 HydrophobicContact CG2-CG 4.31Å; I1256-R2120 HydrophobicContact CB-CG 4.4Å; I1256-R2120 HydrophobicContact CD1-CG 3.5Å; I1256-R2120 HydrophobicContact CG1-CG 3.5Å; I1256-R2120 VanDerWaalsContact CG1-CG 3.5Å; I1256-R2120 HydrophobicContact CG2-CG 4.12Å; I1256-T2121 HydrophobicContact CD1-CG2 3.86Å; I1256-T2121 HydrophobicContact CG1-CG2 3.91Å |
| 1257 | K | 69.8 | Low | 72.6 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.4 | 174.3 | -64.5 | 167.6 | -178.9 | 170.3 | 0 | 112.5 | Q1254 S1255 E1820 H1861 | Q1254-K1257 VanDerWaalsContact O-CB 3.31Å; Q1254-K1257 WeakPolarHBondContact O-CB 3.1Å; Q1254-K1257 WeakPolarHBondContact O-CG 3.43Å; Q1254-K1257 PolarHBondContact O-N 3.46Å; S1255-K1257 PolarHBondContact O-N 3.23Å; S1255-K1257 VanDerWaalsContact O-N 3.11Å; K1257-E1820 IonicContact NZ-OE1 2.65Å; K1257-H1861 PolarHBondContact NZ-NE2 2.95Å; K1257-H1861 VanDerWaalsContact NZ-NE2 3.15Å |
| 1258 | A | 64.3 | Low | 73.2 | Confident | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -25.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1255 I1256 Y1261 D1367 | S1255-A1258 PolarHBondContact O-N 2.95Å; I1256-A1258 PolarHBondContact O-N 2.88Å; A1258-Y1261 WeakPolarHBondContact O-CD2 3.44Å; A1258-D1367 WeakPolarHBondContact CB-OD2 3.36Å |
| 1259 | L | 68.6 | Low | 74 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.3 | -160.6 | -44.3 | -179.5 | 0 | 0 | 0 | 117.3 | S1255 I1256 Y1261 V1262 C1263 L1360 V1364 T2121 | S1255-L1259 WeakPolarHBondContact O-CG 3.49Å; I1256-L1259 HydrophobicContact CB-CD1 4.37Å; I1256-L1259 HydrophobicContact CG1-CD1 3.77Å; L1259-Y1261 PolarHBondContact O-N 2.8Å; L1259-V1262 PolarHBondContact O-N 3.33Å; L1259-C1263 PolarHBondContact O-N 3.34Å; L1259-C1263 PolarHBondContact O-SG 2.86Å; L1259-C1263 VanDerWaalsContact O-SG 3.41Å; L1259-L1360 HydrophobicContact CB-CD1 4.15Å; L1259-L1360 HydrophobicContact CD1-CD1 4.4Å; L1259-L1360 HydrophobicContact CD2-CD1 3.72Å; L1259-L1360 HydrophobicContact CG-CD1 4.25Å; L1259-V1364 HydrophobicContact CD1-CG2 3.16Å; L1259-V1364 HydrophobicContact CD2-CG2 3.27Å; L1259-V1364 HydrophobicContact CG-CG2 3.79Å; L1259-T2121 HydrophobicContact CD1-CG2 4.33Å |
| 1260 | P | 72.6 | Confident | 75 | Confident | 69 Ų | 69 | 32.8 Ų | 32.8 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -51.3 | -26.4 | 179 | -33.6 | 37.5 | 0 | 0 | 0 | 114.7 | I1256 L1264 | I1256-P1260 WeakPolarHBondContact O-CD 3.39Å; P1260-L1264 WeakPolarHBondContact O-CB 3.35Å; P1260-L1264 PolarHBondContact O-N 2.99Å |
| 1261 | Y | 73.6 | Confident | 75.6 | Confident | 64 Ų | 64 | 30.8 Ų | 30.8 | 25% | 0.251 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.3 | -35.6 | 174.5 | -53.1 | -69.5 | 0 | 0 | 0 | 113 | V913 K915 L916 A1258 L1259 L1265 | V913-Y1261 HydrophobicContact CG1-CD1 4.11Å; V913-Y1261 HydrophobicContact CG1-CE1 3.95Å; K915-Y1261 HydrophobicContact CB-CD1 3.89Å; K915-Y1261 HydrophobicContact CB-CD2 4.01Å; K915-Y1261 HydrophobicContact CB-CE1 3.76Å; K915-Y1261 HydrophobicContact CB-CE2 3.92Å; K915-Y1261 HydrophobicContact CB-CG 4.04Å; K915-Y1261 HydrophobicContact CD-CE1 4.45Å; K915-Y1261 HydrophobicContact CD-CE2 3.73Å; K915-Y1261 HydrophobicContact CG-CE2 4.47Å; L916-Y1261 HydrophobicContact CB-CD1 4.28Å; L916-Y1261 WeakPolarHBondContact CD1-O 3.33Å; A1258-Y1261 WeakPolarHBondContact O-CD2 3.44Å; L1259-Y1261 PolarHBondContact O-N 2.8Å; Y1261-L1265 PolarHBondContact O-N 3.42Å |
| 1262 | V | 73.5 | Confident | 76.6 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -82.9 | -40 | 177.7 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | V919 L1259 L1264 L1265 I1266 I1356 L1360 | V919-V1262 HydrophobicContact CG1-CG2 3.87Å; V919-V1262 HydrophobicContact CG2-CG2 4.28Å; L1259-V1262 PolarHBondContact O-N 3.33Å; V1262-L1264 PolarHBondContact O-N 3.24Å; V1262-L1265 WeakPolarHBondContact O-CA 3.1Å; V1262-L1265 VanDerWaalsContact O-CB 3.27Å; V1262-L1265 WeakPolarHBondContact O-CB 3.46Å; V1262-L1265 PolarHBondContact O-N 2.97Å; V1262-I1266 PolarHBondContact O-N 3.03Å; V1262-I1356 HydrophobicContact CG1-CG2 4.34Å; V1262-L1360 HydrophobicContact CB-CB 4.42Å; V1262-L1360 HydrophobicContact CB-CD1 3.84Å; V1262-L1360 HydrophobicContact CB-CD2 3.89Å; V1262-L1360 HydrophobicContact CB-CG 4.26Å; V1262-L1360 HydrophobicContact CG1-CB 3.64Å; V1262-L1360 HydrophobicContact CG1-CD1 4.02Å; V1262-L1360 HydrophobicContact CG1-CD2 3.79Å; V1262-L1360 HydrophobicContact CG1-CG 4Å; V1262-L1360 HydrophobicContact CG2-CD1 4.19Å |
| 1263 | C | 77.8 | Confident | 77.7 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 22% | 0.223 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -34.4 | 171.1 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | L1259 I1266 T1267 | L1259-C1263 PolarHBondContact O-N 3.34Å; L1259-C1263 PolarHBondContact O-SG 2.86Å; L1259-C1263 VanDerWaalsContact O-SG 3.41Å; C1263-I1266 PolarHBondContact O-N 3.21Å; C1263-T1267 WeakPolarHBondContact O-CB 3.3Å; C1263-T1267 PolarHBondContact O-N 3.34Å; C1263-T1267 PolarHBondContact O-OG1 2.91Å |
| 1264 | L | 77.1 | Confident | 78.5 | Confident | 70 Ų | 70 | 30.7 Ų | 30.7 | 37% | 0.366 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 171.2 | -174.1 | 169.4 | 0 | 0 | 0 | 111.2 | L916 P1260 V1262 I1266 T1267 M1268 | L916-L1264 HydrophobicContact CD1-CD2 4.15Å; L916-L1264 HydrophobicContact CD2-CD1 4.27Å; L916-L1264 HydrophobicContact CD2-CD2 3.56Å; P1260-L1264 WeakPolarHBondContact O-CB 3.35Å; P1260-L1264 PolarHBondContact O-N 2.99Å; V1262-L1264 PolarHBondContact O-N 3.24Å; L1264-I1266 VanDerWaalsContact C-N 3.34Å; L1264-I1266 PolarHBondContact O-N 3.06Å; L1264-T1267 PolarHBondContact O-N 3.43Å; L1264-M1268 WeakPolarHBondContact O-CB 3.33Å; L1264-M1268 PolarHBondContact O-N 3.06Å |
| 1265 | L | 79.1 | Confident | 79.4 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 173.7 | -163.8 | 75.9 | 0 | 0 | 0 | 111.9 | F920 Y1261 V1262 M1268 L1269 I1356 | F920-L1265 HydrophobicContact CD2-CD1 4.23Å; Y1261-L1265 PolarHBondContact O-N 3.42Å; V1262-L1265 WeakPolarHBondContact O-CA 3.1Å; V1262-L1265 VanDerWaalsContact O-CB 3.27Å; V1262-L1265 WeakPolarHBondContact O-CB 3.46Å; V1262-L1265 PolarHBondContact O-N 2.97Å; L1265-M1268 PolarHBondContact O-N 3.11Å; L1265-L1269 PolarHBondContact O-N 3.45Å; L1265-I1356 HydrophobicContact CD2-CD1 4.08Å; L1265-I1356 HydrophobicContact CD2-CG1 4.34Å; L1265-I1356 HydrophobicContact CD2-CG2 4.05Å; L1265-I1356 HydrophobicContact CG-CD1 4.38Å |
| 1266 | I | 84.3 | Confident | 80.2 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -49.4 | 174.4 | -62 | 163.8 | 0 | 0 | 0 | 110.8 | V1262 C1263 L1264 M1268 L1269 F1270 I1356 M1357 L1360 | V1262-I1266 PolarHBondContact O-N 3.03Å; C1263-I1266 PolarHBondContact O-N 3.21Å; L1264-I1266 VanDerWaalsContact C-N 3.34Å; L1264-I1266 PolarHBondContact O-N 3.06Å; I1266-M1268 PolarHBondContact O-N 3.34Å; I1266-L1269 WeakPolarHBondContact O-CB 3.07Å; I1266-L1269 PolarHBondContact O-N 3.47Å; I1266-F1270 HydrophobicContact CG2-CD1 4.19Å; I1266-F1270 HydrophobicContact CG2-CE1 3.8Å; I1266-F1270 HydrophobicContact CG2-CE2 4.37Å; I1266-F1270 HydrophobicContact CG2-CZ 3.9Å; I1266-F1270 WeakPolarHBondContact O-CD1 3.48Å; I1266-F1270 PolarHBondContact O-N 3.18Å; I1266-I1356 HydrophobicContact CD1-CG2 4.16Å; I1266-I1356 HydrophobicContact CG1-CB 4.42Å; I1266-I1356 HydrophobicContact CG1-CG2 3.44Å; I1266-I1356 VanDerWaalsContact CG1-CG2 3.44Å; I1266-M1357 HydrophobicContact CD1-SD 3.73Å; I1266-L1360 HydrophobicContact CD1-CD2 3.73Å |
| 1267 | T | 83.3 | Confident | 81 | Confident | 94 Ų | 94 | 30.7 Ų | 30.7 | 58% | 0.577 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -55.6 | -36.5 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | C1263 L1264 F1271 | C1263-T1267 WeakPolarHBondContact O-CB 3.3Å; C1263-T1267 PolarHBondContact O-N 3.34Å; C1263-T1267 PolarHBondContact O-OG1 2.91Å; L1264-T1267 PolarHBondContact O-N 3.43Å; T1267-F1271 WeakPolarHBondContact O-CB 3.5Å; T1267-F1271 PolarHBondContact O-N 3.37Å |
| 1268 | M | 82.1 | Confident | 81.8 | Confident | 18 Ų | 18 | 28 Ų | 28 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.4 | -35.9 | 177.5 | -179.5 | 170.7 | 170.3 | 0 | 0 | 113 | P906 L907 I910 L1264 L1265 I1266 F1271 I1272 | P906-M1268 HydrophobicContact CB-CE 3.78Å; P906-M1268 HydrophobicContact CB-SD 4.43Å; L907-M1268 HydrophobicContact CB-CE 4.14Å; L907-M1268 HydrophobicContact CD2-CE 3.31Å; L907-M1268 HydrophobicContact CG-CE 3.49Å; L907-M1268 VanDerWaalsContact CG-CE 3.49Å; I910-M1268 HydrophobicContact CD1-SD 4.4Å; I910-M1268 HydrophobicContact CG1-SD 4.5Å; L1264-M1268 WeakPolarHBondContact O-CB 3.33Å; L1264-M1268 PolarHBondContact O-N 3.06Å; L1265-M1268 PolarHBondContact O-N 3.11Å; I1266-M1268 PolarHBondContact O-N 3.34Å; M1268-F1271 PolarHBondContact O-N 2.89Å; M1268-I1272 HydrophobicContact CE-CD1 3.65Å; M1268-I1272 HydrophobicContact CG-CD1 4.32Å; M1268-I1272 WeakPolarHBondContact O-CG1 3.45Å; M1268-I1272 PolarHBondContact O-N 2.67Å |
| 1269 | L | 87.4 | Confident | 82.5 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 169.6 | -176.1 | 76.8 | 0 | 0 | 0 | 109.9 | L1265 I1266 F1271 I1272 Y1273 F1349 L1352 C1353 I1356 | L1265-L1269 PolarHBondContact O-N 3.45Å; I1266-L1269 WeakPolarHBondContact O-CB 3.07Å; I1266-L1269 PolarHBondContact O-N 3.47Å; L1269-F1271 VanDerWaalsContact C-N 3.35Å; L1269-F1271 PolarHBondContact O-N 3.43Å; L1269-I1272 PolarHBondContact O-N 3.03Å; L1269-Y1273 HydrophobicContact CD1-CD2 3.86Å; L1269-Y1273 HydrophobicContact CD1-CE2 3.64Å; L1269-Y1273 HydrophobicContact CG-CD2 4.11Å; L1269-Y1273 HydrophobicContact CG-CE2 4.32Å; L1269-Y1273 WeakPolarHBondContact O-CD2 3.46Å; L1269-Y1273 PolarHBondContact O-N 2.9Å; L1269-F1349 HydrophobicContact CD2-CE2 4.37Å; L1269-L1352 HydrophobicContact CD1-CB 4.3Å; L1269-L1352 HydrophobicContact CD1-CD1 4.39Å; L1269-L1352 HydrophobicContact CD2-CB 4.32Å; L1269-C1353 HydrophobicContact CD2-CB 4.11Å; L1269-I1356 HydrophobicContact CD2-CD1 4.37Å |
| 1270 | F | 91 | Very high | 83.1 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.3 | -73.1 | 15 | 0 | 0 | 0 | 111.3 | I1266 I1272 Y1273 C1274 F1309 A1312 F1349 | I1266-F1270 HydrophobicContact CG2-CD1 4.19Å; I1266-F1270 HydrophobicContact CG2-CE1 3.8Å; I1266-F1270 HydrophobicContact CG2-CE2 4.37Å; I1266-F1270 HydrophobicContact CG2-CZ 3.9Å; I1266-F1270 WeakPolarHBondContact O-CD1 3.48Å; I1266-F1270 PolarHBondContact O-N 3.18Å; F1270-I1272 PolarHBondContact O-N 2.7Å; F1270-Y1273 PolarHBondContact O-N 2.78Å; F1270-C1274 WeakPolarHBondContact O-CB 3.45Å; F1270-C1274 PolarHBondContact O-N 2.8Å; F1270-F1309 HydrophobicContact CE2-CB 4.47Å; F1270-F1309 HydrophobicContact CE2-CD2 4.23Å; F1270-A1312 HydrophobicContact CE1-CB 4.2Å; F1270-A1312 HydrophobicContact CZ-CB 3.66Å; F1270-F1349 AromaticContact CD1-CE2 3.79Å; F1270-F1349 HydrophobicContact CD1-CE2 3.79Å; F1270-F1349 AromaticContact CD1-CZ 3.88Å; F1270-F1349 HydrophobicContact CD1-CZ 3.88Å; F1270-F1349 AromaticContact CE1-CE2 3.94Å; F1270-F1349 HydrophobicContact CE1-CE2 3.94Å; F1270-F1349 AromaticContact CE1-CZ 3.62Å; F1270-F1349 HydrophobicContact CE1-CZ 3.62Å; F1270-F1349 HydrophobicContact CZ-CZ 4.39Å |
| 1271 | F | 88 | Confident | 83.9 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.3 | -177.3 | -85.2 | 0 | 0 | 0 | 111.8 | A806 V903 P906 T1267 M1268 L1269 I1275 F1301 | A806-F1271 HydrophobicContact CB-CE2 4.29Å; V903-F1271 HydrophobicContact CG2-CD1 4.37Å; V903-F1271 HydrophobicContact CG2-CE1 4.11Å; P906-F1271 HydrophobicContact CG-CD1 4.4Å; P906-F1271 HydrophobicContact CG-CE1 4.11Å; T1267-F1271 WeakPolarHBondContact O-CB 3.5Å; T1267-F1271 PolarHBondContact O-N 3.37Å; M1268-F1271 PolarHBondContact O-N 2.89Å; L1269-F1271 VanDerWaalsContact C-N 3.35Å; L1269-F1271 PolarHBondContact O-N 3.43Å; F1271-I1275 HydrophobicContact CD1-CG1 4.49Å; F1271-I1275 HydrophobicContact CE1-CG1 4.01Å; F1271-I1275 HydrophobicContact CZ-CD1 4.36Å; F1271-I1275 HydrophobicContact CZ-CG1 4Å; F1271-I1275 WeakPolarHBondContact O-CG1 3.24Å; F1271-I1275 PolarHBondContact O-N 3.25Å; F1271-F1301 AromaticContact CD2-CE2 3.81Å; F1271-F1301 HydrophobicContact CD2-CE2 3.81Å; F1271-F1301 AromaticContact CD2-CZ 3.67Å; F1271-F1301 HydrophobicContact CD2-CZ 3.67Å; F1271-F1301 AromaticContact CE2-CE2 3.89Å; F1271-F1301 HydrophobicContact CE2-CE2 3.89Å; F1271-F1301 AromaticContact CE2-CZ 3.9Å; F1271-F1301 HydrophobicContact CE2-CZ 3.9Å |
| 1272 | I | 87 | Confident | 84.4 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | -179.6 | -74.5 | 169.4 | 0 | 0 | 0 | 110.9 | V903 L907 M1268 L1269 F1270 V1276 | V903-I1272 HydrophobicContact CG1-CG2 4.06Å; V903-I1272 HydrophobicContact CG2-CB 4.39Å; V903-I1272 HydrophobicContact CG2-CG1 4.18Å; L907-I1272 HydrophobicContact CD2-CD1 4.48Å; M1268-I1272 HydrophobicContact CE-CD1 3.65Å; M1268-I1272 HydrophobicContact CG-CD1 4.32Å; M1268-I1272 WeakPolarHBondContact O-CG1 3.45Å; M1268-I1272 PolarHBondContact O-N 2.67Å; L1269-I1272 PolarHBondContact O-N 3.03Å; F1270-I1272 PolarHBondContact O-N 2.7Å; I1272-V1276 VanDerWaalsContact O-CG2 3.29Å; I1272-V1276 WeakPolarHBondContact O-CG2 3.47Å; I1272-V1276 PolarHBondContact O-N 3.15Å |
| 1273 | Y | 90.5 | Very high | 84.9 | Confident | 32 Ų | 32 | 27.5 Ų | 27.5 | 13% | 0.125 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | -178.4 | -86.2 | -101.3 | 0 | 0 | 0 | 111.8 | L1269 F1270 I1275 V1276 G1277 Y1345 T1348 F1349 | L1269-Y1273 HydrophobicContact CD1-CD2 3.86Å; L1269-Y1273 HydrophobicContact CD1-CE2 3.64Å; L1269-Y1273 HydrophobicContact CG-CD2 4.11Å; L1269-Y1273 HydrophobicContact CG-CE2 4.32Å; L1269-Y1273 WeakPolarHBondContact O-CD2 3.46Å; L1269-Y1273 PolarHBondContact O-N 2.9Å; F1270-Y1273 PolarHBondContact O-N 2.78Å; Y1273-I1275 PolarHBondContact O-N 3.07Å; Y1273-V1276 CarbonylContact O-C 3.51Å; Y1273-V1276 WeakPolarHBondContact O-CB 3.31Å; Y1273-V1276 PolarHBondContact O-N 3.07Å; Y1273-V1276 VanDerWaalsContact O-N 3.15Å; Y1273-G1277 PolarHBondContact O-N 2.94Å; Y1273-Y1345 AromaticContact CD1-CD2 3.85Å; Y1273-Y1345 HydrophobicContact CD1-CD2 3.85Å; Y1273-Y1345 AromaticContact CD1-CE2 3.51Å; Y1273-Y1345 HydrophobicContact CD1-CE2 3.51Å; Y1273-Y1345 HydrophobicContact CD1-CG 4.5Å; Y1273-Y1345 AromaticContact CD1-CZ 3.9Å; Y1273-Y1345 HydrophobicContact CE1-CD2 4.12Å; Y1273-Y1345 HydrophobicContact CE1-CE2 4.25Å; Y1273-Y1345 HydrophobicContact CG-CE2 4.34Å; Y1273-Y1345 PolarHBondContact O-OH 3.08Å; Y1273-T1348 PolarHBondContact OH-OG1 3.47Å; Y1273-F1349 HydrophobicContact CD1-CB 3.77Å; Y1273-F1349 AromaticContact CD1-CD2 3.71Å; Y1273-F1349 HydrophobicContact CD1-CD2 3.71Å; Y1273-F1349 HydrophobicContact CD1-CG 4.13Å; Y1273-F1349 HydrophobicContact CD2-CD2 4.05Å; Y1273-F1349 HydrophobicContact CE1-CB 3.62Å; Y1273-F1349 HydrophobicContact CE1-CD2 4.21Å; Y1273-F1349 HydrophobicContact CE1-CG 4.4Å; Y1273-F1349 AromaticContact CG-CD2 3.62Å; Y1273-F1349 HydrophobicContact CG-CD2 3.62Å; Y1273-F1349 HydrophobicContact CG-CE2 4.37Å; Y1273-F1349 HydrophobicContact CG-CG 4.48Å |
| 1274 | C | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | F1270 V1276 G1277 M1278 F1301 I1305 L1308 | F1270-C1274 WeakPolarHBondContact O-CB 3.45Å; F1270-C1274 PolarHBondContact O-N 2.8Å; C1274-V1276 VanDerWaalsContact C-N 3.34Å; C1274-V1276 PolarHBondContact O-N 3.36Å; C1274-G1277 PolarHBondContact O-N 3.1Å; C1274-M1278 WeakPolarHBondContact O-CG 3.22Å; C1274-M1278 PolarHBondContact O-N 3.16Å; C1274-F1301 HydrophobicContact CB-CD2 4.33Å; C1274-F1301 HydrophobicContact CB-CE2 4.25Å; C1274-F1301 VanDerWaalsContact SG-CD2 3.57Å; C1274-I1305 HydrophobicContact CB-CG1 4.14Å; C1274-L1308 HydrophobicContact CB-CD1 3.92Å; C1274-L1308 VanDerWaalsContact N-CD1 3.35Å |
| 1275 | I | 86.3 | Confident | 85.8 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.3 | -60.3 | -61.7 | 0 | 0 | 0 | 111.7 | L805 A806 V903 F1271 Y1273 M1278 Q1279 F1301 | L805-I1275 HydrophobicContact CB-CD1 4.28Å; L805-I1275 HydrophobicContact CB-CG2 4.32Å; A806-I1275 VanDerWaalsContact CA-CD1 3.49Å; A806-I1275 HydrophobicContact CB-CD1 3.96Å; V903-I1275 HydrophobicContact CB-CG2 4.4Å; V903-I1275 HydrophobicContact CG2-CB 3.73Å; V903-I1275 HydrophobicContact CG2-CG1 4.08Å; V903-I1275 HydrophobicContact CG2-CG2 3.91Å; F1271-I1275 HydrophobicContact CD1-CG1 4.49Å; F1271-I1275 HydrophobicContact CE1-CG1 4.01Å; F1271-I1275 HydrophobicContact CZ-CD1 4.36Å; F1271-I1275 HydrophobicContact CZ-CG1 4Å; F1271-I1275 WeakPolarHBondContact O-CG1 3.24Å; F1271-I1275 PolarHBondContact O-N 3.25Å; Y1273-I1275 PolarHBondContact O-N 3.07Å; I1275-M1278 HydrophobicContact CD1-SD 4.41Å; I1275-Q1279 WeakPolarHBondContact O-CB 3.4Å; I1275-Q1279 WeakPolarHBondContact O-CG 3.49Å; I1275-Q1279 PolarHBondContact O-N 2.88Å; I1275-Q1279 VanDerWaalsContact O-N 3.08Å; I1275-F1301 HydrophobicContact CD1-CD2 3.89Å; I1275-F1301 HydrophobicContact CD1-CE2 4.06Å |
| 1276 | V | 85.7 | Confident | 86 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 13% | 0.127 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 173 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | V900 I1272 Y1273 C1274 Q1279 V1280 Y1345 | V900-V1276 HydrophobicContact CG1-CG2 3.75Å; I1272-V1276 VanDerWaalsContact O-CG2 3.29Å; I1272-V1276 WeakPolarHBondContact O-CG2 3.47Å; I1272-V1276 PolarHBondContact O-N 3.15Å; Y1273-V1276 CarbonylContact O-C 3.51Å; Y1273-V1276 WeakPolarHBondContact O-CB 3.31Å; Y1273-V1276 PolarHBondContact O-N 3.07Å; Y1273-V1276 VanDerWaalsContact O-N 3.15Å; C1274-V1276 VanDerWaalsContact C-N 3.34Å; C1274-V1276 PolarHBondContact O-N 3.36Å; V1276-Q1279 PolarHBondContact O-N 3.26Å; V1276-V1280 HydrophobicContact CG1-CG2 4.48Å; V1276-V1280 WeakPolarHBondContact O-CB 3.2Å; V1276-V1280 VanDerWaalsContact O-CG2 3.3Å; V1276-V1280 WeakPolarHBondContact O-CG2 3.26Å; V1276-V1280 PolarHBondContact O-N 2.83Å; V1276-V1280 VanDerWaalsContact O-N 3.11Å; V1276-Y1345 HydrophobicContact CB-CE2 4.04Å; V1276-Y1345 HydrophobicContact CG1-CD2 3.87Å; V1276-Y1345 HydrophobicContact CG1-CE2 3.74Å |
| 1277 | G | 87.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1273 C1274 Q1279 V1280 F1281 G1282 | Y1273-G1277 PolarHBondContact O-N 2.94Å; C1274-G1277 PolarHBondContact O-N 3.1Å; G1277-Q1279 PolarHBondContact O-N 3.37Å; G1277-V1280 PolarHBondContact O-N 3.35Å; G1277-F1281 WeakPolarHBondContact O-CA 3.32Å; G1277-F1281 WeakPolarHBondContact O-CB 3Å; G1277-F1281 PolarHBondContact O-N 3.33Å; G1277-G1282 PolarHBondContact O-N 2.91Å |
| 1278 | M | 86.2 | Confident | 85.3 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 173.1 | -69.1 | 176.9 | 72.4 | 0 | 0 | 111.7 | P810 C1274 I1275 V1280 G1282 F1298 F1301 | P810-M1278 WeakPolarHBondContact CB-O 3.46Å; C1274-M1278 WeakPolarHBondContact O-CG 3.22Å; C1274-M1278 PolarHBondContact O-N 3.16Å; I1275-M1278 HydrophobicContact CD1-SD 4.41Å; M1278-V1280 VanDerWaalsContact C-N 3.3Å; M1278-V1280 PolarHBondContact O-N 2.96Å; M1278-G1282 WeakPolarHBondContact O-CA 3.19Å; M1278-G1282 PolarHBondContact O-N 2.98Å; M1278-G1282 VanDerWaalsContact O-N 3.12Å; M1278-F1298 WeakPolarHBondContact CG-O 3.35Å; M1278-F1301 HydrophobicContact CE-CB 4.25Å; M1278-F1301 VanDerWaalsContact SD-CA 3.6Å; M1278-F1301 HydrophobicContact SD-CB 3.74Å; M1278-F1301 HydrophobicContact SD-CD2 4.16Å; M1278-F1301 HydrophobicContact SD-CG 4.47Å |
| 1279 | Q | 79.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 33 Ų | 33 | 24% | 0.238 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77 | -6.7 | -177.1 | -71 | -175.4 | -13.9 | 0 | 0 | 115 | E808 V900 I1275 V1276 G1277 | E808-Q1279 PolarHBondContact OE2-NE2 3.04Å; V900-Q1279 HydrophobicContact CG2-CB 4.38Å; V900-Q1279 VanDerWaalsContact CG2-OE1 3.24Å; I1275-Q1279 WeakPolarHBondContact O-CB 3.4Å; I1275-Q1279 WeakPolarHBondContact O-CG 3.49Å; I1275-Q1279 PolarHBondContact O-N 2.88Å; I1275-Q1279 VanDerWaalsContact O-N 3.08Å; V1276-Q1279 PolarHBondContact O-N 3.26Å; G1277-Q1279 PolarHBondContact O-N 3.37Å |
| 1280 | V | 81.1 | Confident | 84.5 | Confident | 51 Ų | 51 | 32.9 Ų | 32.9 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -120.4 | -34.3 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 113 | V1276 G1277 M1278 | V1276-V1280 HydrophobicContact CG1-CG2 4.48Å; V1276-V1280 WeakPolarHBondContact O-CB 3.2Å; V1276-V1280 VanDerWaalsContact O-CG2 3.3Å; V1276-V1280 WeakPolarHBondContact O-CG2 3.26Å; V1276-V1280 PolarHBondContact O-N 2.83Å; V1276-V1280 VanDerWaalsContact O-N 3.11Å; G1277-V1280 PolarHBondContact O-N 3.35Å; M1278-V1280 VanDerWaalsContact C-N 3.3Å; M1278-V1280 PolarHBondContact O-N 2.96Å |
| 1281 | F | 88.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -120.2 | -10.1 | -173.9 | -50.3 | -58.4 | 0 | 0 | 0 | 113.8 | G1277 N1283 I1284 F1298 C1324 Y1345 F1346 | G1277-F1281 WeakPolarHBondContact O-CA 3.32Å; G1277-F1281 WeakPolarHBondContact O-CB 3Å; G1277-F1281 PolarHBondContact O-N 3.33Å; F1281-N1283 PolarHBondContact O-N 3.43Å; F1281-I1284 HydrophobicContact CB-CD1 4.03Å; F1281-I1284 HydrophobicContact CD1-CD1 4.2Å; F1281-I1284 WeakPolarHBondContact O-CG1 3.45Å; F1281-I1284 PolarHBondContact O-N 2.58Å; F1281-I1284 VanDerWaalsContact O-N 3.11Å; F1281-F1298 HydrophobicContact CB-CB 4.38Å; F1281-F1298 HydrophobicContact CB-CD2 3.76Å; F1281-F1298 HydrophobicContact CB-CE2 4.39Å; F1281-F1298 HydrophobicContact CB-CG 4.32Å; F1281-F1298 HydrophobicContact CD2-CD2 4.22Å; F1281-F1298 HydrophobicContact CD2-CE2 4.07Å; F1281-F1298 HydrophobicContact CG-CD2 4.42Å; F1281-C1324 HydrophobicContact CD1-CB 3.76Å; F1281-C1324 HydrophobicContact CE1-CB 3.78Å; F1281-C1324 WeakPolarHBondContact CE1-O 3.44Å; F1281-C1324 HydrophobicContact CG-CB 4.18Å; F1281-C1324 HydrophobicContact CZ-CB 4.22Å; F1281-Y1345 AromaticContact CE2-CD1 3.8Å; F1281-Y1345 HydrophobicContact CE2-CD1 3.8Å; F1281-Y1345 HydrophobicContact CE2-CD2 4.32Å; F1281-Y1345 HydrophobicContact CE2-CE1 4Å; F1281-Y1345 HydrophobicContact CE2-CE2 4.49Å; F1281-Y1345 AromaticContact CE2-CG 3.97Å; F1281-Y1345 HydrophobicContact CE2-CG 3.97Å; F1281-Y1345 HydrophobicContact CZ-CG 4.49Å; F1281-F1346 HydrophobicContact CE2-CE2 4.49Å |
| 1282 | G | 84.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -1.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1277 M1278 F1298 | G1277-G1282 PolarHBondContact O-N 2.91Å; M1278-G1282 WeakPolarHBondContact O-CA 3.19Å; M1278-G1282 PolarHBondContact O-N 2.98Å; M1278-G1282 VanDerWaalsContact O-N 3.12Å; G1282-F1298 WeakPolarHBondContact CA-O 3.25Å |
| 1283 | N | 84.8 | Confident | 84 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -0.6 | 177.1 | -64 | 62.2 | 0 | 0 | 0 | 112.9 | P810 F1281 C1330 E1331 | P810-N1283 PolarHBondContact O-ND2 2.9Å; P810-N1283 PolarHBondContact O-OD1 3.28Å; F1281-N1283 PolarHBondContact O-N 3.43Å; N1283-C1330 CarbonylContact O-C 3.54Å; N1283-C1330 WeakPolarHBondContact O-CA 3.32Å; N1283-E1331 PolarHBondContact O-N 3.15Å |
| 1284 | I | 87.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -74.5 | 135.5 | 174.8 | -56 | 170.6 | 0 | 0 | 0 | 108.6 | F1281 L1292 K1328 C1337 | F1281-I1284 HydrophobicContact CB-CD1 4.03Å; F1281-I1284 HydrophobicContact CD1-CD1 4.2Å; F1281-I1284 WeakPolarHBondContact O-CG1 3.45Å; F1281-I1284 PolarHBondContact O-N 2.58Å; F1281-I1284 VanDerWaalsContact O-N 3.11Å; I1284-L1292 HydrophobicContact CB-CD2 3.59Å; I1284-L1292 HydrophobicContact CD1-CD2 4.23Å; I1284-L1292 HydrophobicContact CG2-CD2 3.49Å; I1284-L1292 VanDerWaalsContact CG2-CD2 3.49Å; I1284-K1328 HydrophobicContact CG2-CB 4Å; I1284-C1337 HydrophobicContact CG1-CB 4.11Å |
| 1285 | K | 85.4 | Confident | 83.3 | Confident | 92 Ų | 92 | 36.4 Ų | 36.4 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | trans | -65.7 | 136.8 | 178 | 174.9 | -176.7 | 164.2 | -168.4 | 0 | 111.4 | D1287 E1329 E1331 | K1285-D1287 PolarHBondContact O-N 3.4Å; K1285-E1329 HydrophobicContact CB-CB 4.24Å; K1285-E1329 HydrophobicContact CD-CB 4.04Å; K1285-E1329 VanDerWaalsContact CD-OE2 3.29Å; K1285-E1329 WeakPolarHBondContact CD-OE2 3.46Å; K1285-E1329 WeakPolarHBondContact CE-OE2 3.17Å; K1285-E1329 PolarHBondContact N-O 3.31Å; K1285-E1329 IonicContact NZ-OE2 3.69Å; K1285-E1329 PolarHBondContact NZ-OE2 2.96Å; K1285-E1331 HydrophobicContact CB-CB 4.34Å | ||
| 1286 | T | 84.3 | Confident | 83.4 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | trans | -75.3 | 114.3 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | L1292 N1294 N1297 | T1286-L1292 VanDerWaalsContact CA-O 3.26Å; T1286-L1292 WeakPolarHBondContact CA-O 3.36Å; T1286-N1294 WeakPolarHBondContact CB-OD1 3.43Å; T1286-N1294 PolarHBondContact OG1-OD1 3.08Å; T1286-N1297 HydrophobicContact CG2-CB 3.98Å | ||
| 1287 | D | 79.8 | Confident | 83.6 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 35% | 0.353 | 19% | 0.185 | S | C | . | . | trans | -108 | 121.7 | 175.9 | 175 | 9.4 | 0 | 0 | 0 | 109.7 | K1285 H1289 S1290 L1292 | K1285-D1287 PolarHBondContact O-N 3.4Å; D1287-H1289 PolarHBondContact O-N 3.48Å; D1287-H1289 IonicContact OD1-CD2 2.74Å; D1287-H1289 IonicContact OD1-CG 2.72Å; D1287-H1289 PolarHBondContact OD1-N 3.17Å; D1287-S1290 PolarHBondContact O-N 3.47Å; D1287-S1290 PolarHBondContact O-OG 3.12Å; D1287-L1292 PolarHBondContact N-O 3.04Å | ||
| 1288 | P | 72.3 | Confident | 83.7 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.4 | 177 | 29.6 | -37.6 | 0 | 0 | 0 | 115 | N169 | N169-P1288 WeakPolarHBondContact O-CB 3.21Å; N169-P1288 VanDerWaalsContact O-CG 3.28Å; N169-P1288 WeakPolarHBondContact O-CG 3.16Å |
| 1289 | H | 71.6 | Confident | 83.8 | Confident | 121 Ų | 121 | 37 Ų | 37 | 56% | 0.56 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.2 | 170.5 | -62.1 | -80.1 | 0 | 0 | 0 | 113.6 | D1287 | D1287-H1289 PolarHBondContact O-N 3.48Å; D1287-H1289 IonicContact OD1-CD2 2.74Å; D1287-H1289 IonicContact OD1-CG 2.72Å; D1287-H1289 PolarHBondContact OD1-N 3.17Å |
| 1290 | S | 82 | Confident | 84.1 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -104.6 | 167 | 175 | 80.8 | 0 | 0 | 0 | 0 | 110.9 | D1287 L1292 D1323 | D1287-S1290 PolarHBondContact O-N 3.47Å; D1287-S1290 PolarHBondContact O-OG 3.12Å; S1290-L1292 PolarHBondContact OG-N 3.47Å; S1290-L1292 VanDerWaalsContact OG-N 3.08Å; S1290-L1292 PolarHBondContact OG-O 3.26Å; S1290-D1323 WeakPolarHBondContact CB-OD2 3.36Å |
| 1291 | Q | 84.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -74.8 | -17.9 | 167.3 | -63.6 | -77.9 | -10.8 | 0 | 0 | 111.6 | N1293 N1296 N1316 E1319 I1320 D1323 Y2134 | Q1291-N1293 PolarHBondContact O-N 3.47Å; Q1291-N1296 WeakPolarHBondContact O-CB 3.44Å; Q1291-N1296 PolarHBondContact O-ND2 2.91Å; Q1291-N1316 PolarHBondContact NE2-ND2 2.73Å; Q1291-E1319 WeakPolarHBondContact CG-OE2 3.3Å; Q1291-E1319 PolarHBondContact NE2-OE2 2.85Å; Q1291-I1320 HydrophobicContact CB-CG1 3.8Å; Q1291-I1320 HydrophobicContact CG-CG1 4.32Å; Q1291-D1323 PolarHBondContact N-OD2 3.41Å; Q1291-Y2134 HydrophobicContact CB-CE2 4.46Å; Q1291-Y2134 WeakPolarHBondContact CB-OH 3.47Å; Q1291-Y2134 HydrophobicContact CG-CE1 4.02Å; Q1291-Y2134 HydrophobicContact CG-CE2 3.44Å; Q1291-Y2134 VanDerWaalsContact CG-CE2 3.44Å; Q1291-Y2134 WeakPolarHBondContact CG-OH 3.2Å |
| 1292 | L | 86.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -83.7 | 70.6 | 176.1 | -157.1 | 82.3 | 0 | 0 | 0 | 110.3 | I1284 T1286 D1287 S1290 N1296 L1307 D1323 | I1284-L1292 HydrophobicContact CB-CD2 3.59Å; I1284-L1292 HydrophobicContact CD1-CD2 4.23Å; I1284-L1292 HydrophobicContact CG2-CD2 3.49Å; I1284-L1292 VanDerWaalsContact CG2-CD2 3.49Å; T1286-L1292 VanDerWaalsContact CA-O 3.26Å; T1286-L1292 WeakPolarHBondContact CA-O 3.36Å; D1287-L1292 PolarHBondContact N-O 3.04Å; S1290-L1292 PolarHBondContact OG-N 3.47Å; S1290-L1292 VanDerWaalsContact OG-N 3.08Å; S1290-L1292 PolarHBondContact OG-O 3.26Å; L1292-N1296 CarbonylContact C-O 3.59Å; L1292-N1296 VanDerWaalsContact CA-O 3.32Å; L1292-N1296 WeakPolarHBondContact CA-O 3.29Å; L1292-L1307 HydrophobicContact CD1-CD1 4.09Å; L1292-D1323 HydrophobicContact CB-CB 4.38Å |
| 1293 | N | 83.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -110.7 | -176.4 | -173.3 | 66.7 | 52 | 0 | 0 | 0 | 112.5 | Q1291 H1295 N1296 N1297 | Q1291-N1293 PolarHBondContact O-N 3.47Å; N1293-H1295 PolarHBondContact O-N 2.95Å; N1293-H1295 PolarHBondContact OD1-N 3.41Å; N1293-N1296 PolarHBondContact N-O 2.83Å; N1293-N1296 CarbonylContact O-C 3.52Å; N1293-N1296 PolarHBondContact O-N 3.04Å; N1293-N1296 PolarHBondContact OD1-N 3.01Å; N1293-N1297 PolarHBondContact O-ND2 3.47Å |
| 1294 | N | 83.7 | Confident | 85 | Confident | 116 Ų | 116 | 39.7 Ų | 39.7 | 62% | 0.62 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.5 | -176.2 | -62.4 | 5.5 | 0 | 0 | 0 | 114.3 | T1286 N1297 | T1286-N1294 WeakPolarHBondContact CB-OD1 3.43Å; T1286-N1294 PolarHBondContact OG1-OD1 3.08Å; N1294-N1297 PolarHBondContact O-ND2 2.7Å |
| 1295 | H | 84.5 | Confident | 85.2 | Confident | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.111 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -8 | 177.1 | -61.9 | -62.5 | 0 | 0 | 0 | 113.9 | Y240 N243 D244 N1293 | Y240-H1295 HydrophobicContact CD1-CB 3.37Å; Y240-H1295 AromaticContact CD1-CG 3.83Å; Y240-H1295 HydrophobicContact CE1-CB 3.49Å; Y240-H1295 VanDerWaalsContact CE1-CB 3.49Å; Y240-H1295 HydrophobicContact CG-CB 4.08Å; N243-H1295 VanDerWaalsContact CB-CE1 3.44Å; N243-H1295 WeakPolarHBondContact CB-CE1 3.36Å; N243-H1295 PolarHBondContact ND2-ND1 3.03Å; D244-H1295 IonicContact OD1-CD2 3.05Å; D244-H1295 IonicContact OD1-CE1 2.78Å; D244-H1295 IonicContact OD1-NE2 3.51Å; D244-H1295 PolarHBondContact OD1-NE2 3.26Å; N1293-H1295 PolarHBondContact O-N 2.95Å; N1293-H1295 PolarHBondContact OD1-N 3.41Å |
| 1296 | N | 89 | Confident | 85.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -145.2 | 85.3 | -170.6 | -173 | 48.2 | 0 | 0 | 0 | 110.4 | Y240 Q1291 L1292 N1293 L1307 R1310 | Y240-N1296 WeakPolarHBondContact OH-CB 3.41Å; Q1291-N1296 WeakPolarHBondContact O-CB 3.44Å; Q1291-N1296 PolarHBondContact O-ND2 2.91Å; L1292-N1296 CarbonylContact C-O 3.59Å; L1292-N1296 VanDerWaalsContact CA-O 3.32Å; L1292-N1296 WeakPolarHBondContact CA-O 3.29Å; N1293-N1296 PolarHBondContact N-O 2.83Å; N1293-N1296 CarbonylContact O-C 3.52Å; N1293-N1296 PolarHBondContact O-N 3.04Å; N1293-N1296 PolarHBondContact OD1-N 3.01Å; N1296-L1307 WeakPolarHBondContact OD1-CB 3.17Å; N1296-L1307 VanDerWaalsContact OD1-CG 3.29Å; N1296-L1307 WeakPolarHBondContact OD1-CG 3.36Å; N1296-R1310 PolarHBondContact ND2-NH1 3.09Å |
| 1297 | N | 89.7 | Confident | 85.9 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | trans | -149.5 | 171.9 | -173.8 | 65.4 | 73.8 | 0 | 0 | 0 | 112.6 | T1286 N1293 N1294 Q1299 D1303 G1304 | T1286-N1297 HydrophobicContact CG2-CB 3.98Å; N1293-N1297 PolarHBondContact O-ND2 3.47Å; N1294-N1297 PolarHBondContact O-ND2 2.7Å; N1297-Q1299 HydrophobicContact CB-CG 4.34Å; N1297-Q1299 VanDerWaalsContact OD1-CB 3.28Å; N1297-Q1299 WeakPolarHBondContact OD1-CB 3.33Å; N1297-Q1299 PolarHBondContact OD1-N 3.22Å; N1297-D1303 CarbonylContact O-C 3.37Å; N1297-G1304 PolarHBondContact O-N 3.37Å | ||
| 1298 | F | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -104.6 | 18.2 | 174.2 | -74.1 | -71.4 | 0 | 0 | 0 | 113.4 | M1278 F1281 G1282 L1307 L1308 Y1345 F1346 | M1278-F1298 WeakPolarHBondContact CG-O 3.35Å; F1281-F1298 HydrophobicContact CB-CB 4.38Å; F1281-F1298 HydrophobicContact CB-CD2 3.76Å; F1281-F1298 HydrophobicContact CB-CE2 4.39Å; F1281-F1298 HydrophobicContact CB-CG 4.32Å; F1281-F1298 HydrophobicContact CD2-CD2 4.22Å; F1281-F1298 HydrophobicContact CD2-CE2 4.07Å; F1281-F1298 HydrophobicContact CG-CD2 4.42Å; G1282-F1298 WeakPolarHBondContact CA-O 3.25Å; F1298-L1307 HydrophobicContact CD2-CD1 3.92Å; F1298-L1307 HydrophobicContact CE1-CD1 4.48Å; F1298-L1307 HydrophobicContact CE1-CD2 4.06Å; F1298-L1307 HydrophobicContact CE2-CD1 3.69Å; F1298-L1307 HydrophobicContact CE2-CD2 3.76Å; F1298-L1307 HydrophobicContact CE2-CG 4.41Å; F1298-L1307 HydrophobicContact CG-CD1 4.43Å; F1298-L1307 HydrophobicContact CZ-CD1 4Å; F1298-L1307 HydrophobicContact CZ-CD2 3.37Å; F1298-L1307 HydrophobicContact CZ-CG 4.29Å; F1298-L1308 HydrophobicContact CE1-CG 4.36Å; F1298-Y1345 HydrophobicContact CZ-CE1 4.19Å; F1298-F1346 HydrophobicContact CE2-CZ 4.14Å; F1298-F1346 HydrophobicContact CZ-CZ 4.29Å |
| 1299 | Q | 87.3 | Confident | 87.4 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 16% | 0.159 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.4 | -31.6 | -178.3 | -59.4 | -173 | -9.8 | 0 | 0 | 112.1 | P810 I811 N1297 E1331 | P810-Q1299 WeakPolarHBondContact CD-O 3.34Å; P810-Q1299 WeakPolarHBondContact CG-O 3.28Å; I811-Q1299 HydrophobicContact CD1-CB 4.2Å; I811-Q1299 HydrophobicContact CD1-CG 4.05Å; I811-Q1299 HydrophobicContact CG1-CG 4.47Å; N1297-Q1299 HydrophobicContact CB-CG 4.34Å; N1297-Q1299 VanDerWaalsContact OD1-CB 3.28Å; N1297-Q1299 WeakPolarHBondContact OD1-CB 3.33Å; N1297-Q1299 PolarHBondContact OD1-N 3.22Å; Q1299-E1331 PolarHBondContact NE2-OE2 3.39Å |
| 1300 | T | 87.2 | Confident | 88.4 | Confident | 62 Ų | 62 | 27.7 Ų | 27.7 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -121.7 | 156.2 | 172.2 | 99 | 0 | 0 | 0 | 0 | 112.3 | G1302 D1303 G1304 | T1300-G1302 VanDerWaalsContact C-N 3.26Å; T1300-G1302 PolarHBondContact O-N 3.19Å; T1300-G1302 PolarHBondContact OG1-N 3.46Å; T1300-D1303 WeakPolarHBondContact CB-OD2 3.45Å; T1300-D1303 WeakPolarHBondContact CG2-OD2 3.4Å; T1300-D1303 PolarHBondContact OG1-N 3.35Å; T1300-D1303 PolarHBondContact OG1-OD2 3.22Å; T1300-G1304 PolarHBondContact O-N 2.95Å |
| 1301 | F | 88.7 | Confident | 88.7 | Confident | 56 Ų | 56 | 26.9 Ų | 26.9 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -26.4 | 176.3 | 178.2 | -99 | 0 | 0 | 0 | 113.3 | A806 F1271 C1274 I1275 M1278 I1305 | A806-F1301 HydrophobicContact CB-CB 4.47Å; A806-F1301 HydrophobicContact CB-CD1 4.2Å; A806-F1301 HydrophobicContact CB-CD2 3.69Å; A806-F1301 HydrophobicContact CB-CE1 4.35Å; A806-F1301 HydrophobicContact CB-CE2 3.87Å; A806-F1301 HydrophobicContact CB-CG 3.86Å; A806-F1301 HydrophobicContact CB-CZ 4.2Å; A806-F1301 WeakPolarHBondContact O-CB 3.5Å; F1271-F1301 AromaticContact CD2-CE2 3.81Å; F1271-F1301 HydrophobicContact CD2-CE2 3.81Å; F1271-F1301 AromaticContact CD2-CZ 3.67Å; F1271-F1301 HydrophobicContact CD2-CZ 3.67Å; F1271-F1301 AromaticContact CE2-CE2 3.89Å; F1271-F1301 HydrophobicContact CE2-CE2 3.89Å; F1271-F1301 AromaticContact CE2-CZ 3.9Å; F1271-F1301 HydrophobicContact CE2-CZ 3.9Å; C1274-F1301 HydrophobicContact CB-CD2 4.33Å; C1274-F1301 HydrophobicContact CB-CE2 4.25Å; C1274-F1301 VanDerWaalsContact SG-CD2 3.57Å; I1275-F1301 HydrophobicContact CD1-CD2 3.89Å; I1275-F1301 HydrophobicContact CD1-CE2 4.06Å; M1278-F1301 HydrophobicContact CE-CB 4.25Å; M1278-F1301 VanDerWaalsContact SD-CA 3.6Å; M1278-F1301 HydrophobicContact SD-CB 3.74Å; M1278-F1301 HydrophobicContact SD-CD2 4.16Å; M1278-F1301 HydrophobicContact SD-CG 4.47Å; F1301-I1305 HydrophobicContact CD1-CD1 4.17Å; F1301-I1305 HydrophobicContact CE1-CD1 3.51Å; F1301-I1305 HydrophobicContact CE2-CD1 4.04Å; F1301-I1305 HydrophobicContact CZ-CD1 3.44Å; F1301-I1305 VanDerWaalsContact CZ-CD1 3.44Å; F1301-I1305 HydrophobicContact CZ-CG1 4.4Å; F1301-I1305 WeakPolarHBondContact O-CG1 3.4Å; F1301-I1305 PolarHBondContact O-N 3.45Å |
| 1302 | G | 87.4 | Confident | 89 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 45% | 0.454 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -72.3 | -51.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1300 I1305 L1306 | T1300-G1302 VanDerWaalsContact C-N 3.26Å; T1300-G1302 PolarHBondContact O-N 3.19Å; T1300-G1302 PolarHBondContact OG1-N 3.46Å; G1302-I1305 PolarHBondContact O-N 3.06Å; G1302-L1306 PolarHBondContact O-N 2.9Å |
| 1303 | D | 88.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 27.3 Ų | 27.3 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.2 | -38.6 | -178.9 | -47.5 | -52 | 0 | 0 | 0 | 110.6 | N1297 T1300 I1305 L1306 L1307 | N1297-D1303 CarbonylContact O-C 3.37Å; T1300-D1303 WeakPolarHBondContact CB-OD2 3.45Å; T1300-D1303 WeakPolarHBondContact CG2-OD2 3.4Å; T1300-D1303 PolarHBondContact OG1-N 3.35Å; T1300-D1303 PolarHBondContact OG1-OD2 3.22Å; D1303-I1305 VanDerWaalsContact C-N 3.31Å; D1303-I1305 PolarHBondContact O-N 2.98Å; D1303-L1306 PolarHBondContact O-N 2.82Å; D1303-L1306 VanDerWaalsContact O-N 3.08Å; D1303-L1307 WeakPolarHBondContact O-CB 3.48Å; D1303-L1307 PolarHBondContact O-N 3.34Å |
| 1304 | G | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -29.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1297 T1300 L1308 | N1297-G1304 PolarHBondContact O-N 3.37Å; T1300-G1304 PolarHBondContact O-N 2.95Å; G1304-L1308 WeakPolarHBondContact O-CB 3.32Å; G1304-L1308 VanDerWaalsContact O-CG 3.3Å; G1304-L1308 WeakPolarHBondContact O-CG 3.18Å; G1304-L1308 PolarHBondContact O-N 3.43Å |
| 1305 | I | 92 | Very high | 88.7 | Confident | 57 Ų | 57 | 21.2 Ų | 21.2 | 29% | 0.292 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -73.4 | -39.9 | 169.3 | -81.3 | 179.2 | 0 | 0 | 0 | 111 | C1274 F1301 G1302 D1303 L1308 F1309 | C1274-I1305 HydrophobicContact CB-CG1 4.14Å; F1301-I1305 HydrophobicContact CD1-CD1 4.17Å; F1301-I1305 HydrophobicContact CE1-CD1 3.51Å; F1301-I1305 HydrophobicContact CE2-CD1 4.04Å; F1301-I1305 HydrophobicContact CZ-CD1 3.44Å; F1301-I1305 VanDerWaalsContact CZ-CD1 3.44Å; F1301-I1305 HydrophobicContact CZ-CG1 4.4Å; F1301-I1305 WeakPolarHBondContact O-CG1 3.4Å; F1301-I1305 PolarHBondContact O-N 3.45Å; G1302-I1305 PolarHBondContact O-N 3.06Å; D1303-I1305 VanDerWaalsContact C-N 3.31Å; D1303-I1305 PolarHBondContact O-N 2.98Å; I1305-L1308 PolarHBondContact O-N 2.71Å; I1305-F1309 WeakPolarHBondContact O-CB 3.5Å; I1305-F1309 PolarHBondContact O-N 3.42Å |
| 1306 | L | 90.9 | Very high | 88.7 | Confident | 30 Ų | 30 | 20.3 Ų | 20.3 | 16% | 0.157 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 179.5 | -170.8 | 59.2 | 0 | 0 | 0 | 111.7 | W235 M239 V256 G1302 D1303 F1309 R1310 | W235-L1306 HydrophobicContact CH2-CD1 4.47Å; M239-L1306 HydrophobicContact CE-CD1 4.16Å; M239-L1306 HydrophobicContact CE-CD2 3.83Å; M239-L1306 HydrophobicContact CE-CG 4.2Å; M239-L1306 HydrophobicContact SD-CD1 4.46Å; M239-L1306 HydrophobicContact SD-CD2 4.4Å; V256-L1306 HydrophobicContact CG2-CD1 4.3Å; G1302-L1306 PolarHBondContact O-N 2.9Å; D1303-L1306 PolarHBondContact O-N 2.82Å; D1303-L1306 VanDerWaalsContact O-N 3.08Å; L1306-F1309 WeakPolarHBondContact O-CB 3.47Å; L1306-F1309 PolarHBondContact O-N 3.16Å; L1306-R1310 PolarHBondContact O-N 2.74Å |
| 1307 | L | 92.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 171.5 | -176.1 | 164.9 | 0 | 0 | 0 | 111.5 | L1292 N1296 F1298 D1303 F1309 R1310 C1311 I1320 F1346 | L1292-L1307 HydrophobicContact CD1-CD1 4.09Å; N1296-L1307 WeakPolarHBondContact OD1-CB 3.17Å; N1296-L1307 VanDerWaalsContact OD1-CG 3.29Å; N1296-L1307 WeakPolarHBondContact OD1-CG 3.36Å; F1298-L1307 HydrophobicContact CD2-CD1 3.92Å; F1298-L1307 HydrophobicContact CE1-CD1 4.48Å; F1298-L1307 HydrophobicContact CE1-CD2 4.06Å; F1298-L1307 HydrophobicContact CE2-CD1 3.69Å; F1298-L1307 HydrophobicContact CE2-CD2 3.76Å; F1298-L1307 HydrophobicContact CE2-CG 4.41Å; F1298-L1307 HydrophobicContact CG-CD1 4.43Å; F1298-L1307 HydrophobicContact CZ-CD1 4Å; F1298-L1307 HydrophobicContact CZ-CD2 3.37Å; F1298-L1307 HydrophobicContact CZ-CG 4.29Å; D1303-L1307 WeakPolarHBondContact O-CB 3.48Å; D1303-L1307 PolarHBondContact O-N 3.34Å; L1307-F1309 VanDerWaalsContact C-N 3.31Å; L1307-F1309 PolarHBondContact O-N 3.49Å; L1307-R1310 WeakPolarHBondContact O-CB 3.41Å; L1307-R1310 PolarHBondContact O-N 2.59Å; L1307-C1311 PolarHBondContact O-N 3.37Å; L1307-C1311 PolarHBondContact O-SG 2.95Å; L1307-I1320 HydrophobicContact CD2-CG2 4.32Å; L1307-F1346 HydrophobicContact CD2-CE1 4.35Å |
| 1308 | L | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -29.3 | 175.1 | -73.4 | 176.8 | 0 | 0 | 0 | 112.8 | C1274 F1298 G1304 I1305 C1311 A1312 Y1345 F1349 | C1274-L1308 HydrophobicContact CB-CD1 3.92Å; C1274-L1308 VanDerWaalsContact N-CD1 3.35Å; F1298-L1308 HydrophobicContact CE1-CG 4.36Å; G1304-L1308 WeakPolarHBondContact O-CB 3.32Å; G1304-L1308 VanDerWaalsContact O-CG 3.3Å; G1304-L1308 WeakPolarHBondContact O-CG 3.18Å; G1304-L1308 PolarHBondContact O-N 3.43Å; I1305-L1308 PolarHBondContact O-N 2.71Å; L1308-C1311 PolarHBondContact O-N 3.5Å; L1308-A1312 WeakPolarHBondContact O-CB 3.38Å; L1308-A1312 PolarHBondContact O-N 2.87Å; L1308-Y1345 HydrophobicContact CD2-CE1 4.44Å; L1308-F1349 HydrophobicContact CB-CE1 4.45Å; L1308-F1349 HydrophobicContact CB-CE2 4.38Å; L1308-F1349 HydrophobicContact CB-CZ 3.9Å; L1308-F1349 HydrophobicContact CD1-CE2 4.47Å; L1308-F1349 HydrophobicContact CD2-CD1 4.1Å; L1308-F1349 HydrophobicContact CD2-CD2 4.11Å; L1308-F1349 HydrophobicContact CD2-CE1 3.93Å; L1308-F1349 HydrophobicContact CD2-CE2 3.93Å; L1308-F1349 HydrophobicContact CD2-CG 4.19Å; L1308-F1349 HydrophobicContact CD2-CZ 3.84Å; L1308-F1349 HydrophobicContact CG-CE2 4.49Å; L1308-F1349 HydrophobicContact CG-CZ 4.36Å; L1308-F1349 WeakPolarHBondContact O-CE1 3.32Å; L1308-F1349 WeakPolarHBondContact O-CZ 3.26Å |
| 1309 | F | 91 | Very high | 88.3 | Confident | 21 Ų | 21 | 21.3 Ų | 21.3 | 9% | 0.092 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 170.9 | -175.5 | -99.3 | 0 | 0 | 0 | 111.7 | W235 V256 I259 I260 F264 F1270 I1305 L1306 L1307 C1311 A1312 T1313 | W235-F1309 AromaticContact CH2-CD1 3.64Å; W235-F1309 HydrophobicContact CH2-CD1 3.64Å; W235-F1309 AromaticContact CH2-CE1 3.68Å; W235-F1309 HydrophobicContact CH2-CE1 3.68Å; W235-F1309 AromaticContact CZ2-CD1 3.68Å; W235-F1309 HydrophobicContact CZ2-CD1 3.68Å; W235-F1309 AromaticContact CZ2-CE1 3.68Å; W235-F1309 HydrophobicContact CZ2-CE1 3.68Å; V256-F1309 HydrophobicContact CG1-CE1 4.37Å; V256-F1309 HydrophobicContact CG1-CE2 4.49Å; V256-F1309 HydrophobicContact CG1-CZ 4.13Å; V256-F1309 HydrophobicContact CG2-CE1 4.39Å; I259-F1309 HydrophobicContact CB-CE1 4.25Å; I259-F1309 HydrophobicContact CB-CZ 4.05Å; I259-F1309 HydrophobicContact CG1-CE1 4.39Å; I259-F1309 HydrophobicContact CG2-CE1 4.2Å; I259-F1309 HydrophobicContact CG2-CZ 3.84Å; I260-F1309 HydrophobicContact CD1-CE2 4.49Å; I260-F1309 HydrophobicContact CG1-CE2 4.36Å; I260-F1309 HydrophobicContact CG1-CZ 4.27Å; F264-F1309 HydrophobicContact CE2-CE2 4.23Å; F264-F1309 HydrophobicContact CE2-CZ 4.39Å; F1270-F1309 HydrophobicContact CE2-CB 4.47Å; F1270-F1309 HydrophobicContact CE2-CD2 4.23Å; I1305-F1309 WeakPolarHBondContact O-CB 3.5Å; I1305-F1309 PolarHBondContact O-N 3.42Å; L1306-F1309 WeakPolarHBondContact O-CB 3.47Å; L1306-F1309 PolarHBondContact O-N 3.16Å; L1307-F1309 VanDerWaalsContact C-N 3.31Å; L1307-F1309 PolarHBondContact O-N 3.49Å; F1309-C1311 VanDerWaalsContact C-N 3.34Å; F1309-C1311 PolarHBondContact O-N 3.29Å; F1309-A1312 CarbonylContact O-C 3.59Å; F1309-A1312 WeakPolarHBondContact O-CB 3.42Å; F1309-A1312 PolarHBondContact O-N 3.33Å; F1309-A1312 VanDerWaalsContact O-N 3.11Å; F1309-T1313 HydrophobicContact CE1-CG2 4.35Å; F1309-T1313 PolarHBondContact O-N 3.27Å; F1309-T1313 PolarHBondContact O-OG1 3.04Å |
| 1310 | R | 91.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 169.6 | -177.5 | 179.1 | -165.6 | -158.7 | -3 | 111.7 | T236 N1296 L1306 L1307 A1312 T1313 G1314 E1315 | T236-R1310 HydrophobicContact CG2-CB 4.24Å; T236-R1310 HydrophobicContact CG2-CG 3.9Å; T236-R1310 PolarHBondContact OG1-NE 2.88Å; T236-R1310 VanDerWaalsContact OG1-NE 3.15Å; N1296-R1310 PolarHBondContact ND2-NH1 3.09Å; L1306-R1310 PolarHBondContact O-N 2.74Å; L1307-R1310 WeakPolarHBondContact O-CB 3.41Å; L1307-R1310 PolarHBondContact O-N 2.59Å; R1310-A1312 VanDerWaalsContact C-N 3.33Å; R1310-A1312 PolarHBondContact O-N 2.91Å; R1310-T1313 PolarHBondContact O-N 2.99Å; R1310-T1313 PolarHBondContact O-OG1 3.5Å; R1310-G1314 PolarHBondContact O-N 3.49Å; R1310-E1315 HydrophobicContact CG-CB 3.77Å; R1310-E1315 HydrophobicContact CG-CG 3.97Å; R1310-E1315 WeakPolarHBondContact CG-O 3.26Å; R1310-E1315 PolarHBondContact O-N 3.02Å; R1310-E1315 VanDerWaalsContact O-N 3.09Å |
| 1311 | C | 90.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 174.5 | -65 | 0 | 0 | 0 | 0 | 112.1 | L1307 L1308 F1309 T1313 G1314 W1317 F1349 N1350 | L1307-C1311 PolarHBondContact O-N 3.37Å; L1307-C1311 PolarHBondContact O-SG 2.95Å; L1308-C1311 PolarHBondContact O-N 3.5Å; F1309-C1311 VanDerWaalsContact C-N 3.34Å; F1309-C1311 PolarHBondContact O-N 3.29Å; C1311-T1313 VanDerWaalsContact C-N 3.32Å; C1311-T1313 PolarHBondContact O-N 3.4Å; C1311-G1314 PolarHBondContact O-N 2.91Å; C1311-W1317 HydrophobicContact CB-CB 4.05Å; C1311-F1349 HydrophobicContact CB-CD1 4.13Å; C1311-F1349 HydrophobicContact CB-CE1 3.77Å; C1311-N1350 PolarHBondContact O-OD1 3.36Å |
| 1312 | A | 88.9 | Confident | 88.6 | Confident | 24 Ų | 24 | 15.3 Ų | 15.3 | 20% | 0.198 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.2 | -22.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1270 L1308 F1309 R1310 G1314 F1349 | F1270-A1312 HydrophobicContact CE1-CB 4.2Å; F1270-A1312 HydrophobicContact CZ-CB 3.66Å; L1308-A1312 WeakPolarHBondContact O-CB 3.38Å; L1308-A1312 PolarHBondContact O-N 2.87Å; F1309-A1312 CarbonylContact O-C 3.59Å; F1309-A1312 WeakPolarHBondContact O-CB 3.42Å; F1309-A1312 PolarHBondContact O-N 3.33Å; F1309-A1312 VanDerWaalsContact O-N 3.11Å; R1310-A1312 VanDerWaalsContact C-N 3.33Å; R1310-A1312 PolarHBondContact O-N 2.91Å; A1312-G1314 VanDerWaalsContact C-N 3.3Å; A1312-F1349 HydrophobicContact CB-CE1 4.41Å; A1312-F1349 HydrophobicContact CB-CZ 4.43Å |
| 1313 | T | 85.4 | Confident | 88.7 | Confident | 12 Ų | 12 | 14.2 Ų | 14.2 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.8 | 167.2 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | M232 W235 I259 F264 F1309 R1310 C1311 Q2132 | M232-T1313 HydrophobicContact SD-CG2 3.99Å; W235-T1313 PolarHBondContact NE1-OG1 2.74Å; I259-T1313 HydrophobicContact CG2-CG2 3.98Å; F264-T1313 HydrophobicContact CZ-CG2 4.15Å; F1309-T1313 HydrophobicContact CE1-CG2 4.35Å; F1309-T1313 PolarHBondContact O-N 3.27Å; F1309-T1313 PolarHBondContact O-OG1 3.04Å; R1310-T1313 PolarHBondContact O-N 2.99Å; R1310-T1313 PolarHBondContact O-OG1 3.5Å; C1311-T1313 VanDerWaalsContact C-N 3.32Å; C1311-T1313 PolarHBondContact O-N 3.4Å; T1313-Q2132 PolarHBondContact O-NE2 2.89Å |
| 1314 | G | 80.2 | Confident | 88.8 | Confident | 16 Ų | 16 | 11.7 Ų | 11.7 | 17% | 0.165 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 3.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1310 C1311 A1312 N1316 P2131 Q2132 | R1310-G1314 PolarHBondContact O-N 3.49Å; C1311-G1314 PolarHBondContact O-N 2.91Å; A1312-G1314 VanDerWaalsContact C-N 3.3Å; G1314-N1316 PolarHBondContact O-N 3.04Å; G1314-P2131 CarbonylContact O-C 3.35Å; G1314-Q2132 PolarHBondContact O-N 3.06Å; G1314-Q2132 VanDerWaalsContact O-N 3.16Å |
| 1315 | E | 83.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -80.5 | 112.2 | -170 | -175.5 | 172.4 | -168.3 | 0 | 0 | 112 | W235 T236 R1310 W1317 Q2132 | W235-E1315 PolarHBondContact N-OE1 3.17Å; W235-E1315 PolarHBondContact NE1-OE2 3.28Å; T236-E1315 WeakPolarHBondContact CB-OE1 3.45Å; T236-E1315 WeakPolarHBondContact CG2-OE2 3.29Å; T236-E1315 PolarHBondContact N-OE1 2.97Å; T236-E1315 VanDerWaalsContact N-OE1 3.08Å; T236-E1315 PolarHBondContact OG1-OE1 3.41Å; T236-E1315 PolarHBondContact OG1-OE2 3.36Å; R1310-E1315 HydrophobicContact CG-CB 3.77Å; R1310-E1315 HydrophobicContact CG-CG 3.97Å; R1310-E1315 WeakPolarHBondContact CG-O 3.26Å; R1310-E1315 PolarHBondContact O-N 3.02Å; R1310-E1315 VanDerWaalsContact O-N 3.09Å; E1315-W1317 PolarHBondContact O-N 2.87Å; E1315-Q2132 HydrophobicContact CB-CG 4.16Å; E1315-Q2132 HydrophobicContact CG-CG 4.47Å |
| 1316 | N | 83 | Confident | 88.4 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.027 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 51.3 | 16.9 | 173 | -61.2 | 36 | 0 | 0 | 0 | 115.9 | Q1291 G1314 Q1318 E1319 I1320 Y2134 | Q1291-N1316 PolarHBondContact NE2-ND2 2.73Å; G1314-N1316 PolarHBondContact O-N 3.04Å; N1316-Q1318 PolarHBondContact O-N 2.97Å; N1316-Q1318 VanDerWaalsContact O-N 3.14Å; N1316-E1319 PolarHBondContact O-N 3.26Å; N1316-I1320 WeakPolarHBondContact O-CG1 3.4Å; N1316-I1320 PolarHBondContact O-N 2.81Å; N1316-I1320 VanDerWaalsContact O-N 3.1Å; N1316-Y2134 HydrophobicContact CB-CD2 3.6Å; N1316-Y2134 HydrophobicContact CB-CE2 3.86Å; N1316-Y2134 WeakPolarHBondContact ND2-CD2 3.48Å; N1316-Y2134 WeakPolarHBondContact O-CE2 3.41Å |
| 1317 | W | 88.3 | Confident | 88 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.7 | -33.7 | -175.8 | 75 | -89.9 | 0 | 0 | 0 | 112.5 | F1008 T1009 T1012 C1311 E1315 E1319 M1321 F1346 N1350 | F1008-W1317 AromaticContact CD1-CH2 3.75Å; F1008-W1317 HydrophobicContact CD1-CH2 3.75Å; F1008-W1317 HydrophobicContact CD1-CZ2 4.21Å; F1008-W1317 AromaticContact CE1-CH2 3.58Å; F1008-W1317 HydrophobicContact CE1-CH2 3.58Å; F1008-W1317 HydrophobicContact CE1-CZ2 4.01Å; F1008-W1317 HydrophobicContact CE1-CZ3 4.46Å; T1009-W1317 HydrophobicContact CG2-CH2 3.73Å; T1009-W1317 HydrophobicContact CG2-CZ2 3.98Å; T1012-W1317 HydrophobicContact CG2-CZ2 4.17Å; C1311-W1317 HydrophobicContact CB-CB 4.05Å; E1315-W1317 PolarHBondContact O-N 2.87Å; W1317-E1319 PolarHBondContact O-N 2.82Å; W1317-M1321 HydrophobicContact CZ3-CE 4.13Å; W1317-M1321 HydrophobicContact CZ3-SD 3.89Å; W1317-M1321 WeakPolarHBondContact O-CB 3.25Å; W1317-M1321 PolarHBondContact O-N 3.2Å; W1317-F1346 HydrophobicContact CE3-CB 4.02Å; W1317-F1346 HydrophobicContact CZ3-CB 4.16Å; W1317-N1350 VanDerWaalsContact CG-ND2 3.25Å |
| 1318 | Q | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.8 | -25.5 | -171.7 | 66 | -75.2 | -6.1 | 0 | 0 | 112.7 | F995 T1009 E1014 N1316 M1321 Q2132 | F995-Q1318 HydrophobicContact CE2-CG 4.44Å; F995-Q1318 HydrophobicContact CZ-CB 4.23Å; F995-Q1318 WeakPolarHBondContact CZ-O 3.23Å; T1009-Q1318 HydrophobicContact CG2-CB 3.74Å; E1014-Q1318 PolarHBondContact OE1-NE2 3.42Å; E1014-Q1318 WeakPolarHBondContact OE2-CG 3.05Å; E1014-Q1318 PolarHBondContact OE2-NE2 2.87Å; N1316-Q1318 PolarHBondContact O-N 2.97Å; N1316-Q1318 VanDerWaalsContact O-N 3.14Å; Q1318-M1321 VanDerWaalsContact O-CE 3.23Å; Q1318-M1321 WeakPolarHBondContact O-CE 3.41Å; Q1318-Q2132 PolarHBondContact NE2-O 2.75Å |
| 1319 | E | 85 | Confident | 87.3 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -113.7 | -20.8 | -176.6 | 158.8 | -133.1 | -87.8 | 0 | 0 | 110.7 | Q1291 N1316 W1317 M1321 L1322 D1323 Y2134 | Q1291-E1319 WeakPolarHBondContact CG-OE2 3.3Å; Q1291-E1319 PolarHBondContact NE2-OE2 2.85Å; N1316-E1319 PolarHBondContact O-N 3.26Å; W1317-E1319 PolarHBondContact O-N 2.82Å; E1319-M1321 PolarHBondContact O-N 2.95Å; E1319-L1322 HydrophobicContact CB-CD1 4.13Å; E1319-L1322 HydrophobicContact CG-CD1 4.38Å; E1319-L1322 CarbonylContact O-C 3.46Å; E1319-L1322 WeakPolarHBondContact O-CA 3.3Å; E1319-L1322 WeakPolarHBondContact O-CB 3.47Å; E1319-L1322 PolarHBondContact O-N 2.76Å; E1319-D1323 PolarHBondContact O-N 3.23Å; E1319-Y2134 VanDerWaalsContact C-OH 3.29Å; E1319-Y2134 HydrophobicContact CB-CD2 3.39Å; E1319-Y2134 HydrophobicContact CB-CE2 2.86Å; E1319-Y2134 HydrophobicContact CB-CG 4.45Å; E1319-Y2134 HydrophobicContact CG-CD1 3.79Å; E1319-Y2134 HydrophobicContact CG-CD2 3.34Å; E1319-Y2134 HydrophobicContact CG-CE1 3.17Å; E1319-Y2134 HydrophobicContact CG-CE2 2.68Å; E1319-Y2134 HydrophobicContact CG-CG 3.87Å; E1319-Y2134 VanDerWaalsContact CG-OH 3.31Å; E1319-Y2134 WeakPolarHBondContact CG-OH 3.46Å; E1319-Y2134 PolarHBondContact O-OH 3.07Å; E1319-Y2134 VanDerWaalsContact OE1-CB 3.31Å; E1319-Y2134 WeakPolarHBondContact OE1-CB 3.13Å; E1319-Y2134 WeakPolarHBondContact OE1-CD1 3.24Å; E1319-Y2134 WeakPolarHBondContact OE1-CD2 3.49Å; E1319-Y2134 WeakPolarHBondContact OE1-CE1 3.41Å; E1319-Y2134 WeakPolarHBondContact OE1-CE2 3.4Å; E1319-Y2134 WeakPolarHBondContact OE2-CD1 3.36Å; E1319-Y2134 WeakPolarHBondContact OE2-CD2 3.49Å; E1319-Y2134 WeakPolarHBondContact OE2-CE1 3.3Å; E1319-Y2134 WeakPolarHBondContact OE2-CE2 3.39Å; E1319-Y2134 PolarHBondContact OE2-OH 3.07Å |
| 1320 | I | 90.2 | Very high | 87 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.7 | -36.9 | 155.5 | -68.3 | 167.6 | 0 | 0 | 0 | 110.4 | Q1291 L1307 N1316 L1322 D1323 C1324 F1346 | Q1291-I1320 HydrophobicContact CB-CG1 3.8Å; Q1291-I1320 HydrophobicContact CG-CG1 4.32Å; L1307-I1320 HydrophobicContact CD2-CG2 4.32Å; N1316-I1320 WeakPolarHBondContact O-CG1 3.4Å; N1316-I1320 PolarHBondContact O-N 2.81Å; N1316-I1320 VanDerWaalsContact O-N 3.1Å; I1320-L1322 VanDerWaalsContact C-N 3.3Å; I1320-L1322 PolarHBondContact O-N 3.4Å; I1320-D1323 PolarHBondContact O-N 3.34Å; I1320-C1324 PolarHBondContact O-N 2.99Å; I1320-C1324 PolarHBondContact O-SG 3.47Å; I1320-F1346 HydrophobicContact CG2-CE1 4.11Å; I1320-F1346 HydrophobicContact CG2-CZ 3.9Å |
| 1321 | M | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 171.2 | 175.7 | -175.9 | 66.7 | 0 | 0 | 112.6 | F995 L1005 T1009 W1317 Q1318 E1319 C1324 A1325 T1342 Y1343 F1346 | F995-M1321 HydrophobicContact CE1-CE 4.02Å; F995-M1321 HydrophobicContact CZ-CE 4.03Å; L1005-M1321 HydrophobicContact CD1-CE 4.44Å; T1009-M1321 HydrophobicContact CG2-CE 4.43Å; W1317-M1321 HydrophobicContact CZ3-CE 4.13Å; W1317-M1321 HydrophobicContact CZ3-SD 3.89Å; W1317-M1321 WeakPolarHBondContact O-CB 3.25Å; W1317-M1321 PolarHBondContact O-N 3.2Å; Q1318-M1321 VanDerWaalsContact O-CE 3.23Å; Q1318-M1321 WeakPolarHBondContact O-CE 3.41Å; E1319-M1321 PolarHBondContact O-N 2.95Å; M1321-C1324 PolarHBondContact O-N 3.02Å; M1321-A1325 PolarHBondContact O-N 3.09Å; M1321-T1342 HydrophobicContact CG-CG2 4.22Å; M1321-T1342 WeakPolarHBondContact CG-OG1 3.36Å; M1321-T1342 VanDerWaalsContact O-CG2 3.27Å; M1321-T1342 WeakPolarHBondContact O-CG2 3.4Å; M1321-T1342 PolarHBondContact O-OG1 3.09Å; M1321-Y1343 HydrophobicContact CE-CD1 3.91Å; M1321-Y1343 HydrophobicContact CE-CE1 4.26Å; M1321-Y1343 HydrophobicContact CG-CD1 4.08Å; M1321-Y1343 HydrophobicContact SD-CD1 3.71Å; M1321-F1346 HydrophobicContact CB-CB 4.09Å; M1321-F1346 HydrophobicContact CB-CD2 3.64Å; M1321-F1346 HydrophobicContact CB-CE2 4.27Å; M1321-F1346 HydrophobicContact CB-CG 3.92Å; M1321-F1346 HydrophobicContact CG-CB 4.09Å; M1321-F1346 HydrophobicContact CG-CD2 3.82Å; M1321-F1346 HydrophobicContact CG-CG 4.25Å; M1321-F1346 HydrophobicContact SD-CB 4.1Å |
| 1322 | L | 88.8 | Confident | 85.4 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.9 | -34.9 | 174.4 | -59.5 | 175 | 0 | 0 | 0 | 111.4 | D994 F995 E1319 I1320 C1324 A1325 K1328 Y1343 | D994-L1322 HydrophobicContact CB-CD1 3.74Å; D994-L1322 HydrophobicContact CB-CD2 4.16Å; F995-L1322 HydrophobicContact CE2-CD1 4.02Å; F995-L1322 HydrophobicContact CZ-CD1 4.12Å; F995-L1322 HydrophobicContact CZ-CD2 4.49Å; F995-L1322 HydrophobicContact CZ-CG 4.39Å; E1319-L1322 HydrophobicContact CB-CD1 4.13Å; E1319-L1322 HydrophobicContact CG-CD1 4.38Å; E1319-L1322 CarbonylContact O-C 3.46Å; E1319-L1322 WeakPolarHBondContact O-CA 3.3Å; E1319-L1322 WeakPolarHBondContact O-CB 3.47Å; E1319-L1322 PolarHBondContact O-N 2.76Å; I1320-L1322 VanDerWaalsContact C-N 3.3Å; I1320-L1322 PolarHBondContact O-N 3.4Å; L1322-C1324 PolarHBondContact O-N 3.42Å; L1322-A1325 WeakPolarHBondContact O-CB 3.4Å; L1322-A1325 PolarHBondContact O-N 2.86Å; L1322-A1325 VanDerWaalsContact O-N 3.14Å; L1322-K1328 WeakPolarHBondContact O-CE 3.36Å; L1322-Y1343 HydrophobicContact CD2-CE1 4.08Å |
| 1323 | D | 89.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -17 | 172 | -83.6 | -25.3 | 0 | 0 | 0 | 114.1 | S1290 Q1291 L1292 E1319 I1320 K1328 Y2134 | S1290-D1323 WeakPolarHBondContact CB-OD2 3.36Å; Q1291-D1323 PolarHBondContact N-OD2 3.41Å; L1292-D1323 HydrophobicContact CB-CB 4.38Å; E1319-D1323 PolarHBondContact O-N 3.23Å; I1320-D1323 PolarHBondContact O-N 3.34Å; D1323-K1328 WeakPolarHBondContact O-CG 3.47Å; D1323-K1328 IonicContact OD1-NZ 2.76Å; D1323-K1328 PolarHBondContact OD1-NZ 3.25Å; D1323-Y2134 PolarHBondContact OD2-OH 2.91Å |
| 1324 | C | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.6 | 170.6 | -63.6 | 0 | 0 | 0 | 0 | 114.6 | F1281 I1320 M1321 L1322 S1339 T1342 F1346 | F1281-C1324 HydrophobicContact CD1-CB 3.76Å; F1281-C1324 HydrophobicContact CE1-CB 3.78Å; F1281-C1324 WeakPolarHBondContact CE1-O 3.44Å; F1281-C1324 HydrophobicContact CG-CB 4.18Å; F1281-C1324 HydrophobicContact CZ-CB 4.22Å; I1320-C1324 PolarHBondContact O-N 2.99Å; I1320-C1324 PolarHBondContact O-SG 3.47Å; M1321-C1324 PolarHBondContact O-N 3.02Å; L1322-C1324 PolarHBondContact O-N 3.42Å; C1324-S1339 PolarHBondContact O-N 3.05Å; C1324-T1342 WeakPolarHBondContact CB-OG1 3.4Å; C1324-F1346 HydrophobicContact CB-CE2 3.94Å |
| 1325 | A | 89.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -68.4 | 165.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1321 L1322 K1328 G1338 T1342 | M1321-A1325 PolarHBondContact O-N 3.09Å; L1322-A1325 WeakPolarHBondContact O-CB 3.4Å; L1322-A1325 PolarHBondContact O-N 2.86Å; L1322-A1325 VanDerWaalsContact O-N 3.14Å; A1325-K1328 VanDerWaalsContact O-CG 3.28Å; A1325-K1328 WeakPolarHBondContact O-CG 3.38Å; A1325-G1338 WeakPolarHBondContact O-CA 3.47Å; A1325-T1342 HydrophobicContact CB-CG2 4.2Å |
| 1326 | A | 85.7 | Confident | 82.4 | Confident | 59 Ų | 59 | 49 Ų | 49 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 142.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1327 | G | 83.3 | Confident | 82.4 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | 15.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C1337 | G1327-C1337 PolarHBondContact N-O 2.74Š|
| 1328 | K | 86.5 | Confident | 82.1 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 30% | 0.296 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 156.9 | 174.6 | -62.7 | -82.8 | 173.9 | 171.4 | 0 | 110.5 | I1284 L1322 D1323 A1325 C1337 | I1284-K1328 HydrophobicContact CG2-CB 4Å; L1322-K1328 WeakPolarHBondContact O-CE 3.36Å; D1323-K1328 WeakPolarHBondContact O-CG 3.47Å; D1323-K1328 IonicContact OD1-NZ 2.76Å; D1323-K1328 PolarHBondContact OD1-NZ 3.25Å; A1325-K1328 VanDerWaalsContact O-CG 3.28Å; A1325-K1328 WeakPolarHBondContact O-CG 3.38Å; K1328-C1337 PolarHBondContact N-O 3.47Å; K1328-C1337 PolarHBondContact O-N 3.37Å |
| 1329 | E | 84.8 | Confident | 82 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 141.8 | 178.3 | -65.4 | -171.6 | 179.3 | 0 | 0 | 111.9 | K1285 | K1285-E1329 HydrophobicContact CB-CB 4.24Å; K1285-E1329 HydrophobicContact CD-CB 4.04Å; K1285-E1329 VanDerWaalsContact CD-OE2 3.29Å; K1285-E1329 WeakPolarHBondContact CD-OE2 3.46Å; K1285-E1329 WeakPolarHBondContact CE-OE2 3.17Å; K1285-E1329 PolarHBondContact N-O 3.31Å; K1285-E1329 IonicContact NZ-OE2 3.69Å; K1285-E1329 PolarHBondContact NZ-OE2 2.96Å |
| 1330 | C | 84.1 | Confident | 82.1 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -89 | 149.6 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | N1283 G1334 S1336 C1337 | N1283-C1330 CarbonylContact O-C 3.54Å; N1283-C1330 WeakPolarHBondContact O-CA 3.32Å; C1330-G1334 WeakPolarHBondContact CB-O 3.47Å; C1330-S1336 PolarHBondContact SG-O 2.85Å; C1330-C1337 VanDerWaalsContact CA-SG 3.51Å; C1330-C1337 HydrophobicContact CB-CB 4.06Å; C1330-C1337 WeakPolarHBondContact CB-SG 3.45Å; C1330-C1337 WeakPolarHBondContact SG-CB 3.48Å; C1330-C1337 PolarHBondContact SG-N 3.05Å; C1330-C1337 VanDerWaalsContact SG-N 3.42Å; C1330-C1337 CovalentContact SG-SG 2.04Å; C1330-C1337 PolarHBondContact SG-SG 3.17Å |
| 1331 | E | 77.4 | Confident | 81.8 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -94.1 | 118.7 | 160.7 | -156.6 | 164.3 | 152.3 | 0 | 0 | 109.9 | I811 N1283 K1285 Q1299 | I811-E1331 HydrophobicContact CG2-CB 4.46Å; I811-E1331 HydrophobicContact CG2-CG 4.47Å; N1283-E1331 PolarHBondContact O-N 3.15Å; K1285-E1331 HydrophobicContact CB-CB 4.34Å; Q1299-E1331 PolarHBondContact NE2-OE2 3.39Å |
| 1332 | G | 70.9 | Confident | 81.8 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 98.5 | -143.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1334 | G1332-G1334 PolarHBondContact O-N 3.32Š|
| 1333 | S | 60.3 | Low | 81.8 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 95% | 0.951 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -94.2 | 83.6 | -170 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1334 | G | 66.2 | Low | 81.8 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | trans | -169.4 | 148.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1330 G1332 | C1330-G1334 WeakPolarHBondContact CB-O 3.47Å; G1332-G1334 PolarHBondContact O-N 3.32Å | ||
| 1335 | E | 70.1 | Confident | 81.9 | Confident | 197 Ų | 197 | 67.8 Ų | 67.8 | 92% | 0.921 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -88.6 | -28.7 | -178.7 | -67.5 | 171.2 | 166.6 | 0 | 0 | 112.8 | ||
| 1336 | S | 78.4 | Confident | 82 | Confident | 89 Ų | 89 | 67 Ų | 67 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | trans | -146.2 | 135.7 | 178.2 | 55.1 | 0 | 0 | 0 | 0 | 112 | C1330 | C1330-S1336 PolarHBondContact SG-O 2.85Š| ||
| 1337 | C | 83.4 | Confident | 82 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 178.9 | -177.8 | -84.7 | 0 | 0 | 0 | 0 | 111.4 | I1284 G1327 K1328 C1330 | I1284-C1337 HydrophobicContact CG1-CB 4.11Å; G1327-C1337 PolarHBondContact N-O 2.74Å; K1328-C1337 PolarHBondContact N-O 3.47Å; K1328-C1337 PolarHBondContact O-N 3.37Å; C1330-C1337 VanDerWaalsContact CA-SG 3.51Å; C1330-C1337 HydrophobicContact CB-CB 4.06Å; C1330-C1337 WeakPolarHBondContact CB-SG 3.45Å; C1330-C1337 WeakPolarHBondContact SG-CB 3.48Å; C1330-C1337 PolarHBondContact SG-N 3.05Å; C1330-C1337 VanDerWaalsContact SG-N 3.42Å; C1330-C1337 CovalentContact SG-SG 2.04Å; C1330-C1337 PolarHBondContact SG-SG 3.17Å |
| 1338 | G | 82 | Confident | 82.3 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | trans | 79.9 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1325 | A1325-G1338 WeakPolarHBondContact O-CA 3.47Š| ||
| 1339 | S | 84.6 | Confident | 82.5 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | trans | -156.1 | 139.5 | -174.6 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | C1324 Y1341 T1342 | C1324-S1339 PolarHBondContact O-N 3.05Å; S1339-Y1341 PolarHBondContact O-N 3.02Å; S1339-Y1341 WeakPolarHBondContact OG-CB 3.33Å; S1339-Y1341 PolarHBondContact OG-N 3.4Å; S1339-T1342 VanDerWaalsContact O-CB 3.27Å; S1339-T1342 WeakPolarHBondContact O-CB 3.36Å; S1339-T1342 VanDerWaalsContact O-CG2 3.28Å; S1339-T1342 WeakPolarHBondContact O-CG2 3.42Å; S1339-T1342 PolarHBondContact O-N 3.44Å | ||
| 1340 | S | 85.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 57% | 0.566 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.5 | 169.8 | -39.5 | 0 | 0 | 0 | 0 | 113.8 | T1342 Y1343 | S1340-T1342 PolarHBondContact O-N 3.18Å; S1340-Y1343 WeakPolarHBondContact O-CD2 3.22Å |
| 1341 | Y | 85.3 | Confident | 82.5 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 48% | 0.475 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.1 | 167.5 | -167.9 | -98.4 | 0 | 0 | 0 | 113.1 | S1339 Y1343 L1344 Y1345 | S1339-Y1341 PolarHBondContact O-N 3.02Å; S1339-Y1341 WeakPolarHBondContact OG-CB 3.33Å; S1339-Y1341 PolarHBondContact OG-N 3.4Å; Y1341-Y1343 VanDerWaalsContact C-N 3.27Å; Y1341-Y1343 PolarHBondContact O-N 3.32Å; Y1341-L1344 HydrophobicContact CD2-CD2 4.43Å; Y1341-L1344 HydrophobicContact CE2-CD2 3.73Å; Y1341-L1344 PolarHBondContact O-N 2.98Å; Y1341-Y1345 PolarHBondContact O-N 3.11Å |
| 1342 | T | 90.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -46.1 | -47.2 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 113.2 | M1321 C1324 A1325 S1339 S1340 L1344 Y1345 F1346 | M1321-T1342 HydrophobicContact CG-CG2 4.22Å; M1321-T1342 WeakPolarHBondContact CG-OG1 3.36Å; M1321-T1342 VanDerWaalsContact O-CG2 3.27Å; M1321-T1342 WeakPolarHBondContact O-CG2 3.4Å; M1321-T1342 PolarHBondContact O-OG1 3.09Å; C1324-T1342 WeakPolarHBondContact CB-OG1 3.4Å; A1325-T1342 HydrophobicContact CB-CG2 4.2Å; S1339-T1342 VanDerWaalsContact O-CB 3.27Å; S1339-T1342 WeakPolarHBondContact O-CB 3.36Å; S1339-T1342 VanDerWaalsContact O-CG2 3.28Å; S1339-T1342 WeakPolarHBondContact O-CG2 3.42Å; S1339-T1342 PolarHBondContact O-N 3.44Å; S1340-T1342 PolarHBondContact O-N 3.18Å; T1342-L1344 VanDerWaalsContact C-N 3.3Å; T1342-L1344 PolarHBondContact O-N 3.42Å; T1342-Y1345 PolarHBondContact O-N 2.97Å; T1342-Y1345 VanDerWaalsContact O-N 3.15Å; T1342-F1346 WeakPolarHBondContact O-CD2 3.25Å; T1342-F1346 PolarHBondContact O-N 3.01Å; T1342-F1346 WeakPolarHBondContact OG1-CD2 3.38Å |
| 1343 | Y | 89.9 | Confident | 83.6 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | -177.9 | -57.3 | -67.4 | 0 | 0 | 0 | 112.6 | L1005 M1321 L1322 S1340 Y1341 S1347 | L1005-Y1343 HydrophobicContact CD2-CD1 3.63Å; L1005-Y1343 HydrophobicContact CD2-CE1 3.97Å; L1005-Y1343 HydrophobicContact CD2-CG 4.27Å; M1321-Y1343 HydrophobicContact CE-CD1 3.91Å; M1321-Y1343 HydrophobicContact CE-CE1 4.26Å; M1321-Y1343 HydrophobicContact CG-CD1 4.08Å; M1321-Y1343 HydrophobicContact SD-CD1 3.71Å; L1322-Y1343 HydrophobicContact CD2-CE1 4.08Å; S1340-Y1343 WeakPolarHBondContact O-CD2 3.22Å; Y1341-Y1343 VanDerWaalsContact C-N 3.27Å; Y1341-Y1343 PolarHBondContact O-N 3.32Å; Y1343-S1347 WeakPolarHBondContact O-CB 3.28Å; Y1343-S1347 PolarHBondContact O-N 3.31Å; Y1343-S1347 PolarHBondContact O-OG 3.02Å |
| 1344 | L | 89.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.2 | -45.6 | 176.4 | -169.6 | 68.6 | 0 | 0 | 0 | 110.6 | Y1341 T1342 T1348 | Y1341-L1344 HydrophobicContact CD2-CD2 4.43Å; Y1341-L1344 HydrophobicContact CE2-CD2 3.73Å; Y1341-L1344 PolarHBondContact O-N 2.98Å; T1342-L1344 VanDerWaalsContact C-N 3.3Å; T1342-L1344 PolarHBondContact O-N 3.42Å; L1344-T1348 HydrophobicContact CD1-CG2 3.92Å; L1344-T1348 HydrophobicContact CG-CG2 4.19Å; L1344-T1348 WeakPolarHBondContact O-CB 3.2Å; L1344-T1348 WeakPolarHBondContact O-CG2 3.35Å; L1344-T1348 PolarHBondContact O-N 3.49Å; L1344-T1348 PolarHBondContact O-OG1 3.38Å |
| 1345 | Y | 91.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.1 | -54.8 | -179.2 | 175.2 | -91.4 | 0 | 0 | 0 | 112.3 | Y1273 V1276 F1281 F1298 L1308 Y1341 T1342 T1348 F1349 | Y1273-Y1345 AromaticContact CD1-CD2 3.85Å; Y1273-Y1345 HydrophobicContact CD1-CD2 3.85Å; Y1273-Y1345 AromaticContact CD1-CE2 3.51Å; Y1273-Y1345 HydrophobicContact CD1-CE2 3.51Å; Y1273-Y1345 HydrophobicContact CD1-CG 4.5Å; Y1273-Y1345 AromaticContact CD1-CZ 3.9Å; Y1273-Y1345 HydrophobicContact CE1-CD2 4.12Å; Y1273-Y1345 HydrophobicContact CE1-CE2 4.25Å; Y1273-Y1345 HydrophobicContact CG-CE2 4.34Å; Y1273-Y1345 PolarHBondContact O-OH 3.08Å; V1276-Y1345 HydrophobicContact CB-CE2 4.04Å; V1276-Y1345 HydrophobicContact CG1-CD2 3.87Å; V1276-Y1345 HydrophobicContact CG1-CE2 3.74Å; F1281-Y1345 AromaticContact CE2-CD1 3.8Å; F1281-Y1345 HydrophobicContact CE2-CD1 3.8Å; F1281-Y1345 HydrophobicContact CE2-CD2 4.32Å; F1281-Y1345 HydrophobicContact CE2-CE1 4Å; F1281-Y1345 HydrophobicContact CE2-CE2 4.49Å; F1281-Y1345 AromaticContact CE2-CG 3.97Å; F1281-Y1345 HydrophobicContact CE2-CG 3.97Å; F1281-Y1345 HydrophobicContact CZ-CG 4.49Å; F1298-Y1345 HydrophobicContact CZ-CE1 4.19Å; L1308-Y1345 HydrophobicContact CD2-CE1 4.44Å; Y1341-Y1345 PolarHBondContact O-N 3.11Å; T1342-Y1345 PolarHBondContact O-N 2.97Å; T1342-Y1345 VanDerWaalsContact O-N 3.15Å; Y1345-T1348 PolarHBondContact O-OG1 2.83Å; Y1345-F1349 VanDerWaalsContact O-CB 3.28Å; Y1345-F1349 WeakPolarHBondContact O-CB 3.05Å; Y1345-F1349 PolarHBondContact O-N 3.24Å |
| 1346 | F | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.3 | -40 | -177.7 | -74.3 | -78.9 | 0 | 0 | 0 | 112.5 | F1281 F1298 L1307 W1317 I1320 M1321 C1324 T1342 T1348 F1349 N1350 | F1281-F1346 HydrophobicContact CE2-CE2 4.49Å; F1298-F1346 HydrophobicContact CE2-CZ 4.14Å; F1298-F1346 HydrophobicContact CZ-CZ 4.29Å; L1307-F1346 HydrophobicContact CD2-CE1 4.35Å; W1317-F1346 HydrophobicContact CE3-CB 4.02Å; W1317-F1346 HydrophobicContact CZ3-CB 4.16Å; I1320-F1346 HydrophobicContact CG2-CE1 4.11Å; I1320-F1346 HydrophobicContact CG2-CZ 3.9Å; M1321-F1346 HydrophobicContact CB-CB 4.09Å; M1321-F1346 HydrophobicContact CB-CD2 3.64Å; M1321-F1346 HydrophobicContact CB-CE2 4.27Å; M1321-F1346 HydrophobicContact CB-CG 3.92Å; M1321-F1346 HydrophobicContact CG-CB 4.09Å; M1321-F1346 HydrophobicContact CG-CD2 3.82Å; M1321-F1346 HydrophobicContact CG-CG 4.25Å; M1321-F1346 HydrophobicContact SD-CB 4.1Å; C1324-F1346 HydrophobicContact CB-CE2 3.94Å; T1342-F1346 WeakPolarHBondContact O-CD2 3.25Å; T1342-F1346 PolarHBondContact O-N 3.01Å; T1342-F1346 WeakPolarHBondContact OG1-CD2 3.38Å; F1346-T1348 PolarHBondContact O-N 2.82Å; F1346-F1349 PolarHBondContact O-N 3.02Å; F1346-N1350 WeakPolarHBondContact O-CB 3.28Å; F1346-N1350 PolarHBondContact O-N 3.3Å; F1346-N1350 PolarHBondContact O-ND2 2.87Å |
| 1347 | S | 86.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | Y1343 F1351 | Y1343-S1347 WeakPolarHBondContact O-CB 3.28Å; Y1343-S1347 PolarHBondContact O-N 3.31Å; Y1343-S1347 PolarHBondContact O-OG 3.02Å; S1347-F1351 WeakPolarHBondContact O-CB 3.43Å; S1347-F1351 PolarHBondContact O-N 3.13Å; S1347-F1351 VanDerWaalsContact O-N 3.16Å |
| 1348 | T | 88.3 | Confident | 85.1 | Confident | 45 Ų | 45 | 36.4 Ų | 36.4 | 28% | 0.276 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.7 | -35.8 | 174.8 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | Y1273 L1344 Y1345 F1346 L1352 | Y1273-T1348 PolarHBondContact OH-OG1 3.47Å; L1344-T1348 HydrophobicContact CD1-CG2 3.92Å; L1344-T1348 HydrophobicContact CG-CG2 4.19Å; L1344-T1348 WeakPolarHBondContact O-CB 3.2Å; L1344-T1348 WeakPolarHBondContact O-CG2 3.35Å; L1344-T1348 PolarHBondContact O-N 3.49Å; L1344-T1348 PolarHBondContact O-OG1 3.38Å; Y1345-T1348 PolarHBondContact O-OG1 2.83Å; F1346-T1348 PolarHBondContact O-N 2.82Å; T1348-L1352 VanDerWaalsContact O-CB 3.31Å; T1348-L1352 WeakPolarHBondContact O-CB 3.36Å; T1348-L1352 VanDerWaalsContact O-CG 3.26Å; T1348-L1352 WeakPolarHBondContact O-CG 3.41Å; T1348-L1352 PolarHBondContact O-N 3.19Å |
| 1349 | F | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -55.3 | 173.6 | 178.7 | -104.6 | 0 | 0 | 0 | 110.9 | L1269 F1270 Y1273 L1308 C1311 A1312 Y1345 F1346 F1351 L1352 C1353 | L1269-F1349 HydrophobicContact CD2-CE2 4.37Å; F1270-F1349 AromaticContact CD1-CE2 3.79Å; F1270-F1349 HydrophobicContact CD1-CE2 3.79Å; F1270-F1349 AromaticContact CD1-CZ 3.88Å; F1270-F1349 HydrophobicContact CD1-CZ 3.88Å; F1270-F1349 AromaticContact CE1-CE2 3.94Å; F1270-F1349 HydrophobicContact CE1-CE2 3.94Å; F1270-F1349 AromaticContact CE1-CZ 3.62Å; F1270-F1349 HydrophobicContact CE1-CZ 3.62Å; F1270-F1349 HydrophobicContact CZ-CZ 4.39Å; Y1273-F1349 HydrophobicContact CD1-CB 3.77Å; Y1273-F1349 AromaticContact CD1-CD2 3.71Å; Y1273-F1349 HydrophobicContact CD1-CD2 3.71Å; Y1273-F1349 HydrophobicContact CD1-CG 4.13Å; Y1273-F1349 HydrophobicContact CD2-CD2 4.05Å; Y1273-F1349 HydrophobicContact CE1-CB 3.62Å; Y1273-F1349 HydrophobicContact CE1-CD2 4.21Å; Y1273-F1349 HydrophobicContact CE1-CG 4.4Å; Y1273-F1349 AromaticContact CG-CD2 3.62Å; Y1273-F1349 HydrophobicContact CG-CD2 3.62Å; Y1273-F1349 HydrophobicContact CG-CE2 4.37Å; Y1273-F1349 HydrophobicContact CG-CG 4.48Å; L1308-F1349 HydrophobicContact CB-CE1 4.45Å; L1308-F1349 HydrophobicContact CB-CE2 4.38Å; L1308-F1349 HydrophobicContact CB-CZ 3.9Å; L1308-F1349 HydrophobicContact CD1-CE2 4.47Å; L1308-F1349 HydrophobicContact CD2-CD1 4.1Å; L1308-F1349 HydrophobicContact CD2-CD2 4.11Å; L1308-F1349 HydrophobicContact CD2-CE1 3.93Å; L1308-F1349 HydrophobicContact CD2-CE2 3.93Å; L1308-F1349 HydrophobicContact CD2-CG 4.19Å; L1308-F1349 HydrophobicContact CD2-CZ 3.84Å; L1308-F1349 HydrophobicContact CG-CE2 4.49Å; L1308-F1349 HydrophobicContact CG-CZ 4.36Å; L1308-F1349 WeakPolarHBondContact O-CE1 3.32Å; L1308-F1349 WeakPolarHBondContact O-CZ 3.26Å; C1311-F1349 HydrophobicContact CB-CD1 4.13Å; C1311-F1349 HydrophobicContact CB-CE1 3.77Å; A1312-F1349 HydrophobicContact CB-CE1 4.41Å; A1312-F1349 HydrophobicContact CB-CZ 4.43Å; Y1345-F1349 VanDerWaalsContact O-CB 3.28Å; Y1345-F1349 WeakPolarHBondContact O-CB 3.05Å; Y1345-F1349 PolarHBondContact O-N 3.24Å; F1346-F1349 PolarHBondContact O-N 3.02Å; F1349-F1351 PolarHBondContact O-N 2.96Å; F1349-L1352 PolarHBondContact O-N 3.47Å; F1349-C1353 HydrophobicContact CE1-CB 4.49Å; F1349-C1353 HydrophobicContact CZ-CB 4.42Å; F1349-C1353 WeakPolarHBondContact O-CB 3.45Å; F1349-C1353 PolarHBondContact O-N 3.39Å |
| 1350 | N | 86 | Confident | 84 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | -175.8 | -72.4 | -30.1 | 0 | 0 | 0 | 112.7 | C1311 W1317 F1346 S1354 | C1311-N1350 PolarHBondContact O-OD1 3.36Å; W1317-N1350 VanDerWaalsContact CG-ND2 3.25Å; F1346-N1350 WeakPolarHBondContact O-CB 3.28Å; F1346-N1350 PolarHBondContact O-N 3.3Å; F1346-N1350 PolarHBondContact O-ND2 2.87Å; N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.29Å; N1350-S1354 PolarHBondContact O-OG 3.19Å |
| 1351 | F | 83.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 30 Ų | 30 | 25% | 0.254 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 172.5 | 177.8 | -96.2 | 0 | 0 | 0 | 112.4 | L934 S1347 F1349 F1355 | L934-F1351 HydrophobicContact CD1-CE1 4.09Å; L934-F1351 HydrophobicContact CD1-CE2 3.97Å; L934-F1351 HydrophobicContact CD1-CZ 3.48Å; L934-F1351 VanDerWaalsContact CD1-CZ 3.48Å; S1347-F1351 WeakPolarHBondContact O-CB 3.43Å; S1347-F1351 PolarHBondContact O-N 3.13Å; S1347-F1351 VanDerWaalsContact O-N 3.16Å; F1349-F1351 PolarHBondContact O-N 2.96Å; F1351-F1355 VanDerWaalsContact O-CB 3.3Å; F1351-F1355 WeakPolarHBondContact O-CB 3.33Å; F1351-F1355 PolarHBondContact O-N 3.41Å |
| 1352 | L | 83.8 | Confident | 82.5 | Confident | 56 Ų | 56 | 24.3 Ų | 24.3 | 29% | 0.293 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -69.9 | -38.3 | -178.6 | -70.4 | 173.9 | 0 | 0 | 0 | 112.3 | L1269 T1348 F1349 F1355 I1356 | L1269-L1352 HydrophobicContact CD1-CB 4.3Å; L1269-L1352 HydrophobicContact CD1-CD1 4.39Å; L1269-L1352 HydrophobicContact CD2-CB 4.32Å; T1348-L1352 VanDerWaalsContact O-CB 3.31Å; T1348-L1352 WeakPolarHBondContact O-CB 3.36Å; T1348-L1352 VanDerWaalsContact O-CG 3.26Å; T1348-L1352 WeakPolarHBondContact O-CG 3.41Å; T1348-L1352 PolarHBondContact O-N 3.19Å; F1349-L1352 PolarHBondContact O-N 3.47Å; L1352-F1355 PolarHBondContact O-N 3Å; L1352-I1356 VanDerWaalsContact O-CG1 3.32Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.5Å; L1352-I1356 PolarHBondContact O-N 3.28Å |
| 1353 | C | 86.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -55 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | L1269 F1349 F1355 I1356 M1357 | L1269-C1353 HydrophobicContact CD2-CB 4.11Å; F1349-C1353 HydrophobicContact CE1-CB 4.49Å; F1349-C1353 HydrophobicContact CZ-CB 4.42Å; F1349-C1353 WeakPolarHBondContact O-CB 3.45Å; F1349-C1353 PolarHBondContact O-N 3.39Å; C1353-F1355 VanDerWaalsContact C-N 3.25Å; C1353-F1355 PolarHBondContact O-N 3.38Å; C1353-I1356 PolarHBondContact O-N 2.96Å; C1353-M1357 WeakPolarHBondContact O-CB 3.36Å; C1353-M1357 VanDerWaalsContact O-CG 3.23Å; C1353-M1357 WeakPolarHBondContact O-CG 3.47Å; C1353-M1357 PolarHBondContact O-N 3.41Å |
| 1354 | S | 80.1 | Confident | 80.4 | Confident | 49 Ų | 49 | 21 Ų | 21 | 34% | 0.343 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -54.3 | -41 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | N1350 L1358 | N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.29Å; N1350-S1354 PolarHBondContact O-OG 3.19Å; S1354-L1358 WeakPolarHBondContact O-CB 3.42Å; S1354-L1358 PolarHBondContact O-N 3.02Å |
| 1355 | F | 80.3 | Confident | 79.4 | Confident | 16 Ų | 16 | 17.1 Ų | 17.1 | 7% | 0.07 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.7 | 175.5 | -119 | 0 | 0 | 0 | 112.6 | V923 L927 V930 I1060 F1351 L1352 C1353 L1358 N1359 | V923-F1355 HydrophobicContact CG1-CE1 3.77Å; V923-F1355 HydrophobicContact CG1-CZ 4.31Å; L927-F1355 HydrophobicContact CD1-CE1 4.23Å; L927-F1355 HydrophobicContact CD2-CD1 4.21Å; L927-F1355 HydrophobicContact CD2-CE1 3.5Å; L927-F1355 VanDerWaalsContact CD2-CE1 3.5Å; L927-F1355 HydrophobicContact CD2-CZ 3.81Å; L927-F1355 HydrophobicContact CG-CE1 3.62Å; L927-F1355 HydrophobicContact CG-CZ 3.84Å; V930-F1355 HydrophobicContact CB-CE2 4.49Å; V930-F1355 HydrophobicContact CG1-CE2 4.18Å; V930-F1355 HydrophobicContact CG2-CE2 3.72Å; V930-F1355 HydrophobicContact CG2-CZ 4.16Å; I1060-F1355 HydrophobicContact CD1-CD2 4.33Å; I1060-F1355 HydrophobicContact CD1-CE2 3.94Å; F1351-F1355 VanDerWaalsContact O-CB 3.3Å; F1351-F1355 WeakPolarHBondContact O-CB 3.33Å; F1351-F1355 PolarHBondContact O-N 3.41Å; L1352-F1355 PolarHBondContact O-N 3Å; C1353-F1355 VanDerWaalsContact C-N 3.25Å; C1353-F1355 PolarHBondContact O-N 3.38Å; F1355-L1358 PolarHBondContact O-N 2.86Å; F1355-N1359 WeakPolarHBondContact CD2-ND2 3.39Å; F1355-N1359 VanDerWaalsContact CE1-ND2 3.33Å; F1355-N1359 WeakPolarHBondContact CE1-ND2 3.46Å; F1355-N1359 WeakPolarHBondContact CE2-ND2 3.31Å; F1355-N1359 WeakPolarHBondContact CZ-ND2 3.5Å; F1355-N1359 PolarHBondContact O-N 2.86Å; F1355-N1359 PolarHBondContact O-ND2 2.78Å |
| 1356 | I | 79.7 | Confident | 78.2 | Confident | 17 Ų | 17 | 18 Ų | 18 | 9% | 0.087 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.1 | -41.8 | 179.9 | -65 | 170 | 0 | 0 | 0 | 111.2 | V1262 L1265 I1266 L1269 L1352 C1353 L1358 N1359 L1360 | V1262-I1356 HydrophobicContact CG1-CG2 4.34Å; L1265-I1356 HydrophobicContact CD2-CD1 4.08Å; L1265-I1356 HydrophobicContact CD2-CG1 4.34Å; L1265-I1356 HydrophobicContact CD2-CG2 4.05Å; L1265-I1356 HydrophobicContact CG-CD1 4.38Å; I1266-I1356 HydrophobicContact CD1-CG2 4.16Å; I1266-I1356 HydrophobicContact CG1-CB 4.42Å; I1266-I1356 HydrophobicContact CG1-CG2 3.44Å; I1266-I1356 VanDerWaalsContact CG1-CG2 3.44Å; L1269-I1356 HydrophobicContact CD2-CD1 4.37Å; L1352-I1356 VanDerWaalsContact O-CG1 3.32Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.5Å; L1352-I1356 PolarHBondContact O-N 3.28Å; C1353-I1356 PolarHBondContact O-N 2.96Å; I1356-L1358 VanDerWaalsContact C-N 3.32Å; I1356-L1358 PolarHBondContact O-N 2.61Å; I1356-N1359 PolarHBondContact O-N 3.03Å; I1356-L1360 PolarHBondContact O-N 3.31Å |
| 1357 | M | 76.6 | Confident | 76.9 | Confident | 17 Ų | 17 | 19.6 Ų | 19.6 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.7 | -48.5 | 170.2 | -64.8 | -64.3 | -62.9 | 0 | 0 | 109.8 | F264 I1266 C1353 N1359 L1360 F1361 D2122 | F264-M1357 HydrophobicContact CD1-CE 4.05Å; F264-M1357 HydrophobicContact CD2-CE 4.38Å; F264-M1357 HydrophobicContact CE1-CE 3.7Å; F264-M1357 HydrophobicContact CE2-CE 4.06Å; F264-M1357 HydrophobicContact CG-CE 4.4Å; F264-M1357 HydrophobicContact CZ-CE 3.72Å; I1266-M1357 HydrophobicContact CD1-SD 3.73Å; C1353-M1357 WeakPolarHBondContact O-CB 3.36Å; C1353-M1357 VanDerWaalsContact O-CG 3.23Å; C1353-M1357 WeakPolarHBondContact O-CG 3.47Å; C1353-M1357 PolarHBondContact O-N 3.41Å; M1357-N1359 PolarHBondContact O-N 3.17Å; M1357-L1360 CarbonylContact O-C 3.43Å; M1357-L1360 WeakPolarHBondContact O-CB 2.12Å; M1357-L1360 PolarHBondContact O-N 2.96Å; M1357-F1361 HydrophobicContact CB-CE1 4.14Å; M1357-F1361 HydrophobicContact CB-CZ 4.22Å; M1357-F1361 HydrophobicContact CE-CE1 3.98Å; M1357-F1361 HydrophobicContact CE-CZ 4.47Å; M1357-F1361 WeakPolarHBondContact O-CB 3.35Å; M1357-F1361 WeakPolarHBondContact O-CD1 3.49Å; M1357-F1361 WeakPolarHBondContact O-CG 3.3Å; M1357-F1361 PolarHBondContact O-N 3.02Å; M1357-D2122 HydrophobicContact CE-CB 3.98Å; M1357-D2122 VanDerWaalsContact CE-OD2 3.32Å; M1357-D2122 WeakPolarHBondContact CE-OD2 3.36Å |
| 1358 | L | 74.8 | Confident | 75.8 | Confident | 14 Ų | 14 | 19 Ų | 19 | 7% | 0.073 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.3 | -31.7 | 178.7 | -167.5 | 151.1 | 0 | 0 | 0 | 113.4 | V1053 V1057 I1060 S1354 F1355 I1356 F1361 V1362 | V1053-L1358 HydrophobicContact CG1-CD1 4.03Å; V1057-L1358 HydrophobicContact CG2-CD1 4Å; V1057-L1358 HydrophobicContact CG2-CD2 4.07Å; V1057-L1358 HydrophobicContact CG2-CG 4.42Å; I1060-L1358 HydrophobicContact CD1-CD2 3.44Å; I1060-L1358 VanDerWaalsContact CD1-CD2 3.44Å; S1354-L1358 WeakPolarHBondContact O-CB 3.42Å; S1354-L1358 PolarHBondContact O-N 3.02Å; F1355-L1358 PolarHBondContact O-N 2.86Å; I1356-L1358 VanDerWaalsContact C-N 3.32Å; I1356-L1358 PolarHBondContact O-N 2.61Å; L1358-F1361 HydrophobicContact CB-CD2 4.27Å; L1358-F1361 HydrophobicContact CG-CD2 4.46Å; L1358-F1361 CarbonylContact O-C 2.88Å; L1358-F1361 WeakPolarHBondContact O-CB 3.45Å; L1358-F1361 PolarHBondContact O-N 2.75Å; L1358-V1362 HydrophobicContact CD2-CG2 4.4Å; L1358-V1362 PolarHBondContact O-N 2.98Å |
| 1359 | N | 70.3 | Confident | 74.6 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 170.7 | -76.2 | -58.8 | 0 | 0 | 0 | 112 | I1060 F1355 I1356 M1357 F1361 V1362 A1363 | I1060-N1359 VanDerWaalsContact CG2-OD1 3.29Å; I1060-N1359 WeakPolarHBondContact CG2-OD1 3.04Å; F1355-N1359 WeakPolarHBondContact CD2-ND2 3.39Å; F1355-N1359 VanDerWaalsContact CE1-ND2 3.33Å; F1355-N1359 WeakPolarHBondContact CE1-ND2 3.46Å; F1355-N1359 WeakPolarHBondContact CE2-ND2 3.31Å; F1355-N1359 WeakPolarHBondContact CZ-ND2 3.5Å; F1355-N1359 PolarHBondContact O-N 2.86Å; F1355-N1359 PolarHBondContact O-ND2 2.78Å; I1356-N1359 PolarHBondContact O-N 3.03Å; M1357-N1359 PolarHBondContact O-N 3.17Å; N1359-F1361 PolarHBondContact O-N 3.38Å; N1359-V1362 PolarHBondContact O-N 3.22Å; N1359-A1363 WeakPolarHBondContact O-CB 3.43Å; N1359-A1363 PolarHBondContact O-N 3.04Å |
| 1360 | L | 72.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 170.5 | -172.2 | 34.5 | 0 | 0 | 0 | 109.8 | L1259 V1262 I1266 I1356 M1357 V1362 A1363 V1364 D2122 | L1259-L1360 HydrophobicContact CB-CD1 4.15Å; L1259-L1360 HydrophobicContact CD1-CD1 4.4Å; L1259-L1360 HydrophobicContact CD2-CD1 3.72Å; L1259-L1360 HydrophobicContact CG-CD1 4.25Å; V1262-L1360 HydrophobicContact CB-CB 4.42Å; V1262-L1360 HydrophobicContact CB-CD1 3.84Å; V1262-L1360 HydrophobicContact CB-CD2 3.89Å; V1262-L1360 HydrophobicContact CB-CG 4.26Å; V1262-L1360 HydrophobicContact CG1-CB 3.64Å; V1262-L1360 HydrophobicContact CG1-CD1 4.02Å; V1262-L1360 HydrophobicContact CG1-CD2 3.79Å; V1262-L1360 HydrophobicContact CG1-CG 4Å; V1262-L1360 HydrophobicContact CG2-CD1 4.19Å; I1266-L1360 HydrophobicContact CD1-CD2 3.73Å; I1356-L1360 PolarHBondContact O-N 3.31Å; M1357-L1360 CarbonylContact O-C 3.43Å; M1357-L1360 WeakPolarHBondContact O-CB 2.12Å; M1357-L1360 PolarHBondContact O-N 2.96Å; L1360-V1362 PolarHBondContact O-N 3.38Å; L1360-A1363 HydrophobicContact CD1-CB 4.36Å; L1360-A1363 WeakPolarHBondContact O-CA 3.36Å; L1360-A1363 WeakPolarHBondContact O-CB 3.36Å; L1360-A1363 PolarHBondContact O-N 2.93Å; L1360-A1363 VanDerWaalsContact O-N 3.09Å; L1360-V1364 HydrophobicContact CD1-CG2 4.16Å; L1360-V1364 PolarHBondContact O-N 3.49Å; L1360-D2122 CarbonylContact C-O 3.56Å; L1360-D2122 VanDerWaalsContact CB-OD2 3.28Å; L1360-D2122 WeakPolarHBondContact CB-OD2 3.45Å; L1360-D2122 HydrophobicContact CD2-CB 4.46Å; L1360-D2122 WeakPolarHBondContact CD2-OD1 3.14Å; L1360-D2122 VanDerWaalsContact CD2-OD2 3.22Å; L1360-D2122 WeakPolarHBondContact CD2-OD2 3.27Å; L1360-D2122 HydrophobicContact CG-CB 4.27Å; L1360-D2122 VanDerWaalsContact CG-OD2 3.24Å; L1360-D2122 WeakPolarHBondContact CG-OD2 3.42Å; L1360-D2122 VanDerWaalsContact O-O 3.04Å |
| 1361 | F | 70.3 | Confident | 72.1 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.3 | -55.3 | -16.6 | 0 | 0 | 0 | 113.4 | M1357 L1358 N1359 A1363 I1365 D2122 S2123 S2124 F2125 | M1357-F1361 HydrophobicContact CB-CE1 4.14Å; M1357-F1361 HydrophobicContact CB-CZ 4.22Å; M1357-F1361 HydrophobicContact CE-CE1 3.98Å; M1357-F1361 HydrophobicContact CE-CZ 4.47Å; M1357-F1361 WeakPolarHBondContact O-CB 3.35Å; M1357-F1361 WeakPolarHBondContact O-CD1 3.49Å; M1357-F1361 WeakPolarHBondContact O-CG 3.3Å; M1357-F1361 PolarHBondContact O-N 3.02Å; L1358-F1361 HydrophobicContact CB-CD2 4.27Å; L1358-F1361 HydrophobicContact CG-CD2 4.46Å; L1358-F1361 CarbonylContact O-C 2.88Å; L1358-F1361 WeakPolarHBondContact O-CB 3.45Å; L1358-F1361 PolarHBondContact O-N 2.75Å; N1359-F1361 PolarHBondContact O-N 3.38Å; F1361-A1363 VanDerWaalsContact C-N 3.32Å; F1361-I1365 PolarHBondContact O-N 3.27Å; F1361-D2122 HydrophobicContact CD1-CB 3.8Å; F1361-D2122 HydrophobicContact CE1-CB 3.73Å; F1361-S2123 VanDerWaalsContact CA-CA 3.41Å; F1361-S2123 VanDerWaalsContact CA-CB 3.44Å; F1361-S2123 WeakPolarHBondContact O-CB 3.44Å; F1361-S2124 VanDerWaalsContact CE1-N 3.31Å; F1361-S2124 WeakPolarHBondContact CE1-OG 2.13Å; F1361-S2124 VanDerWaalsContact CE2-O 3.29Å; F1361-S2124 WeakPolarHBondContact CE2-O 3.04Å; F1361-S2124 VanDerWaalsContact CZ-C 3.48Å; F1361-S2124 WeakPolarHBondContact CZ-O 2.13Å; F1361-F2125 HydrophobicContact CB-CB 4.39Å; F1361-F2125 HydrophobicContact CB-CD2 3.37Å; F1361-F2125 HydrophobicContact CB-CE2 3.86Å; F1361-F2125 HydrophobicContact CB-CG 4.08Å; F1361-F2125 VanDerWaalsContact CD2-CA 3.46Å; F1361-F2125 HydrophobicContact CD2-CB 4.2Å; F1361-F2125 HydrophobicContact CD2-CD2 4.36Å; F1361-F2125 HydrophobicContact CD2-CG 4.27Å; F1361-F2125 HydrophobicContact CG-CD2 4.35Å |
| 1362 | V | 69.7 | Low | 71 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 170.4 | 175.5 | 0 | 0 | 0 | 0 | 110 | I1060 I1061 F1064 L1358 N1359 L1360 I1365 M1366 F2125 | I1060-V1362 HydrophobicContact CB-CG2 4.14Å; I1060-V1362 HydrophobicContact CG2-CB 3.81Å; I1060-V1362 HydrophobicContact CG2-CG1 4.03Å; I1060-V1362 HydrophobicContact CG2-CG2 3.62Å; I1061-V1362 HydrophobicContact CB-CG1 4.48Å; I1061-V1362 HydrophobicContact CG1-CG1 3.75Å; I1061-V1362 HydrophobicContact CG1-CG2 3.95Å; F1064-V1362 HydrophobicContact CB-CG1 4.35Å; F1064-V1362 HydrophobicContact CD2-CB 4.15Å; F1064-V1362 HydrophobicContact CD2-CG1 3.5Å; F1064-V1362 VanDerWaalsContact CD2-CG1 3.5Å; F1064-V1362 HydrophobicContact CE2-CB 4.26Å; F1064-V1362 HydrophobicContact CE2-CG1 4.1Å; F1064-V1362 HydrophobicContact CG-CG1 4.18Å; L1358-V1362 HydrophobicContact CD2-CG2 4.4Å; L1358-V1362 PolarHBondContact O-N 2.98Å; N1359-V1362 PolarHBondContact O-N 3.22Å; L1360-V1362 PolarHBondContact O-N 3.38Å; V1362-I1365 PolarHBondContact O-N 3.42Å; V1362-M1366 HydrophobicContact CG1-CG 3.78Å; V1362-M1366 VanDerWaalsContact O-CB 3.24Å; V1362-M1366 WeakPolarHBondContact O-CB 3.31Å; V1362-M1366 VanDerWaalsContact O-CG 3.25Å; V1362-M1366 WeakPolarHBondContact O-CG 2.12Å; V1362-M1366 PolarHBondContact O-N 3.28Å; V1362-F2125 HydrophobicContact CB-CE2 4.28Å; V1362-F2125 HydrophobicContact CG2-CE2 3.46Å; V1362-F2125 VanDerWaalsContact CG2-CE2 3.46Å; V1362-F2125 HydrophobicContact CG2-CZ 3.58Å |
| 1363 | A | 67.9 | Low | 70 | Confident | 14 Ų | 14 | 16.9 Ų | 16.9 | 12% | 0.116 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1359 L1360 F1361 I1365 M1366 D1367 | N1359-A1363 WeakPolarHBondContact O-CB 3.43Å; N1359-A1363 PolarHBondContact O-N 3.04Å; L1360-A1363 HydrophobicContact CD1-CB 4.36Å; L1360-A1363 WeakPolarHBondContact O-CA 3.36Å; L1360-A1363 WeakPolarHBondContact O-CB 3.36Å; L1360-A1363 PolarHBondContact O-N 2.93Å; L1360-A1363 VanDerWaalsContact O-N 3.09Å; F1361-A1363 VanDerWaalsContact C-N 3.32Å; A1363-I1365 PolarHBondContact O-N 3.06Å; A1363-M1366 CarbonylContact O-C 3.6Å; A1363-M1366 WeakPolarHBondContact O-CA 3.39Å; A1363-M1366 PolarHBondContact O-N 3.21Å; A1363-M1366 VanDerWaalsContact O-N 3.14Å; A1363-D1367 WeakPolarHBondContact O-CB 3.27Å; A1363-D1367 PolarHBondContact O-N 2.9Å |
| 1364 | V | 67.4 | Low | 68.9 | Low | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.3 | -25.1 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 113.2 | L1259 L1360 D1367 N1368 D2122 S2123 | L1259-V1364 HydrophobicContact CD1-CG2 3.16Å; L1259-V1364 HydrophobicContact CD2-CG2 3.27Å; L1259-V1364 HydrophobicContact CG-CG2 3.79Å; L1360-V1364 HydrophobicContact CD1-CG2 4.16Å; L1360-V1364 PolarHBondContact O-N 3.49Å; V1364-D1367 CarbonylContact O-C 3.6Å; V1364-D1367 PolarHBondContact O-N 3.18Å; V1364-N1368 WeakPolarHBondContact CG1-ND2 3.36Å; V1364-N1368 WeakPolarHBondContact O-CB 3.2Å; V1364-N1368 PolarHBondContact O-N 3.05Å; V1364-N1368 PolarHBondContact O-ND2 2.89Å; V1364-D2122 WeakPolarHBondContact CB-O 3.03Å; V1364-D2122 WeakPolarHBondContact CG2-O 3.05Å; V1364-S2123 WeakPolarHBondContact CB-OG 3.29Å; V1364-S2123 WeakPolarHBondContact CG1-OG 3.25Å |
| 1365 | I | 68 | Low | 67.7 | Low | 14 Ų | 14 | 19.3 Ų | 19.3 | 7% | 0.072 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.7 | -48.2 | 165.4 | -66.1 | -176.9 | 0 | 0 | 0 | 109.4 | L271 F1361 V1362 A1363 D1367 N1368 F1369 F2125 | L271-I1365 HydrophobicContact CB-CD1 4.3Å; F1361-I1365 PolarHBondContact O-N 3.27Å; V1362-I1365 PolarHBondContact O-N 3.42Å; A1363-I1365 PolarHBondContact O-N 3.06Å; I1365-D1367 PolarHBondContact O-N 2.91Å; I1365-D1367 VanDerWaalsContact O-N 3.08Å; I1365-N1368 PolarHBondContact O-N 2.87Å; I1365-F1369 HydrophobicContact CG2-CB 4.39Å; I1365-F1369 WeakPolarHBondContact O-CB 2.48Å; I1365-F1369 PolarHBondContact O-N 2.88Å; I1365-F2125 HydrophobicContact CD1-CB 4.36Å; I1365-F2125 HydrophobicContact CD1-CD2 3.45Å; I1365-F2125 VanDerWaalsContact CD1-CD2 3.45Å; I1365-F2125 HydrophobicContact CD1-CE2 3.95Å; I1365-F2125 HydrophobicContact CD1-CG 4.1Å; I1365-F2125 HydrophobicContact CG1-CD2 4.36Å |
| 1366 | M | 66 | Low | 66.6 | Low | 21 Ų | 21 | 22.9 Ų | 22.9 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 4.4 | 174.3 | -64.1 | -59.8 | -64 | 0 | 0 | 114.7 | F1064 Q1065 V1362 A1363 I1863 P1864 | F1064-M1366 HydrophobicContact CB-CG 4.33Å; Q1065-M1366 HydrophobicContact CG-CE 3.66Å; Q1065-M1366 HydrophobicContact CG-SD 4.46Å; V1362-M1366 HydrophobicContact CG1-CG 3.78Å; V1362-M1366 VanDerWaalsContact O-CB 3.24Å; V1362-M1366 WeakPolarHBondContact O-CB 3.31Å; V1362-M1366 VanDerWaalsContact O-CG 3.25Å; V1362-M1366 WeakPolarHBondContact O-CG 2.12Å; V1362-M1366 PolarHBondContact O-N 3.28Å; A1363-M1366 CarbonylContact O-C 3.6Å; A1363-M1366 WeakPolarHBondContact O-CA 3.39Å; A1363-M1366 PolarHBondContact O-N 3.21Å; A1363-M1366 VanDerWaalsContact O-N 3.14Å; M1366-I1863 WeakPolarHBondContact O-CA 3.36Å; M1366-I1863 WeakPolarHBondContact O-CB 3.49Å; M1366-I1863 WeakPolarHBondContact O-CG2 3.31Å; M1366-I1863 PolarHBondContact O-N 3Å; M1366-P1864 WeakPolarHBondContact CE-O 3.15Å |
| 1367 | D | 65.9 | Low | 65.9 | Low | 34 Ų | 34 | 26.9 Ų | 26.9 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 5.2 | 168.6 | -90.4 | 24.5 | 0 | 0 | 0 | 113.1 | A1258 A1363 V1364 I1365 I1863 | A1258-D1367 WeakPolarHBondContact CB-OD2 3.36Å; A1363-D1367 WeakPolarHBondContact O-CB 3.27Å; A1363-D1367 PolarHBondContact O-N 2.9Å; V1364-D1367 CarbonylContact O-C 3.6Å; V1364-D1367 PolarHBondContact O-N 3.18Å; I1365-D1367 PolarHBondContact O-N 2.91Å; I1365-D1367 VanDerWaalsContact O-N 3.08Å; D1367-I1863 VanDerWaalsContact C-CD1 3.47Å; D1367-I1863 WeakPolarHBondContact O-CD1 3.3Å |
| 1368 | N | 63.3 | Low | 65.7 | Low | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | -22.4 | 171.2 | -75.7 | -81.5 | 0 | 0 | 0 | 115.3 | T1251 S1255 V1364 I1365 D1370 Y1371 L1372 | T1251-N1368 PolarHBondContact O-OD1 3.46Å; S1255-N1368 WeakPolarHBondContact CB-ND2 2.91Å; S1255-N1368 PolarHBondContact OG-ND2 3.24Å; V1364-N1368 WeakPolarHBondContact CG1-ND2 3.36Å; V1364-N1368 WeakPolarHBondContact O-CB 3.2Å; V1364-N1368 PolarHBondContact O-N 3.05Å; V1364-N1368 PolarHBondContact O-ND2 2.89Å; I1365-N1368 PolarHBondContact O-N 2.87Å; N1368-D1370 PolarHBondContact O-N 2.85Å; N1368-Y1371 PolarHBondContact O-N 3.22Å; N1368-Y1371 VanDerWaalsContact O-N 3.11Å; N1368-L1372 HydrophobicContact CB-CD1 4.04Å; N1368-L1372 WeakPolarHBondContact O-CG 3.26Å; N1368-L1372 PolarHBondContact O-N 3.04Å |
| 1369 | F | 62.4 | Low | 65.8 | Low | 21 Ų | 21 | 29.3 Ų | 29.3 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -33.6 | -172.5 | -169.5 | -124.1 | 0 | 0 | 0 | 115.2 | A279 I1365 Y1371 L1372 T1373 I1863 I1865 | A279-F1369 HydrophobicContact CB-CE2 4.05Å; A279-F1369 HydrophobicContact CB-CZ 3.85Å; I1365-F1369 HydrophobicContact CG2-CB 4.39Å; I1365-F1369 WeakPolarHBondContact O-CB 2.48Å; I1365-F1369 PolarHBondContact O-N 2.88Å; F1369-Y1371 PolarHBondContact O-N 3.1Å; F1369-L1372 CarbonylContact O-C 3.42Å; F1369-L1372 PolarHBondContact O-N 2.75Å; F1369-T1373 HydrophobicContact CD1-CG2 3.99Å; F1369-T1373 HydrophobicContact CD2-CG2 3.61Å; F1369-T1373 HydrophobicContact CE1-CG2 3.84Å; F1369-T1373 HydrophobicContact CE2-CG2 3.43Å; F1369-T1373 VanDerWaalsContact CE2-CG2 3.43Å; F1369-T1373 HydrophobicContact CG-CG2 3.88Å; F1369-T1373 HydrophobicContact CZ-CG2 3.56Å; F1369-T1373 WeakPolarHBondContact O-CB 3.16Å; F1369-T1373 WeakPolarHBondContact O-CG2 3.42Å; F1369-T1373 PolarHBondContact O-N 3.31Å; F1369-T1373 PolarHBondContact O-OG1 2.88Å; F1369-I1863 HydrophobicContact CB-CG2 3.74Å; F1369-I1863 VanDerWaalsContact N-CG2 3.29Å; F1369-I1865 HydrophobicContact CD1-CD1 3.79Å; F1369-I1865 HydrophobicContact CE1-CB 4.19Å; F1369-I1865 HydrophobicContact CE1-CD1 3.5Å; F1369-I1865 VanDerWaalsContact CE1-CD1 3.5Å; F1369-I1865 HydrophobicContact CE1-CG1 4.42Å; F1369-I1865 HydrophobicContact CE1-CG2 4.17Å; F1369-I1865 HydrophobicContact CZ-CD1 4.35Å |
| 1370 | D | 61.6 | Low | 66 | Low | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 176.7 | -130.2 | -68.9 | 0 | 0 | 0 | 110.2 | K1079 R1083 N1368 L1372 R1374 I1863 P1864 | K1079-D1370 IonicContact NZ-OD2 3.84Å; K1079-D1370 PolarHBondContact NZ-OD2 2.89Å; R1083-D1370 IonicContact CZ-OD1 2.6Å; R1083-D1370 VanDerWaalsContact CZ-OD1 3.25Å; R1083-D1370 IonicContact CZ-OD2 3.71Å; R1083-D1370 VanDerWaalsContact NH1-CG 3.25Å; R1083-D1370 IonicContact NH1-OD1 2.67Å; R1083-D1370 PolarHBondContact NH1-OD1 3.08Å; R1083-D1370 IonicContact NH1-OD2 2.64Å; R1083-D1370 IonicContact NH2-OD1 3.81Å; R1083-D1370 PolarHBondContact NH2-OD1 3.43Å; R1083-D1370 IonicContact NH2-OD2 2.68Å; R1083-D1370 PolarHBondContact NH2-OD2 2.91Å; N1368-D1370 PolarHBondContact O-N 2.85Å; D1370-L1372 VanDerWaalsContact C-N 3.3Å; D1370-R1374 WeakPolarHBondContact O-CB 3.33Å; D1370-R1374 PolarHBondContact O-N 3.17Å; D1370-I1863 HydrophobicContact CB-CB 3.93Å; D1370-I1863 HydrophobicContact CB-CD1 3.22Å; D1370-I1863 HydrophobicContact CB-CG1 3.36Å; D1370-I1863 HydrophobicContact CB-CG2 4.08Å; D1370-I1863 VanDerWaalsContact OD2-CA 3.3Å; D1370-I1863 WeakPolarHBondContact OD2-CA 3.44Å; D1370-P1864 HydrophobicContact CB-CG 3.75Å; D1370-P1864 VanDerWaalsContact CG-CD 3.48Å; D1370-P1864 WeakPolarHBondContact OD2-CB 3.49Å; D1370-P1864 WeakPolarHBondContact OD2-CD 3.31Å; D1370-P1864 WeakPolarHBondContact OD2-CG 3.23Å |
| 1371 | Y | 63.4 | Low | 66.2 | Low | 47 Ų | 47 | 29.6 Ų | 29.6 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.2 | -170.7 | -84.3 | 0 | 0 | 0 | 110 | I1247 T1251 N1368 F1369 E1822 | I1247-Y1371 WeakPolarHBondContact CD1-OH 3.16Å; I1247-Y1371 HydrophobicContact CG2-CD1 4.45Å; I1247-Y1371 HydrophobicContact CG2-CE1 3.51Å; I1247-Y1371 HydrophobicContact CG2-CE2 4.09Å; I1247-Y1371 VanDerWaalsContact CG2-OH 3.27Å; I1247-Y1371 WeakPolarHBondContact CG2-OH 3.25Å; T1251-Y1371 HydrophobicContact CG2-CD1 3.89Å; T1251-Y1371 HydrophobicContact CG2-CD2 3.23Å; T1251-Y1371 HydrophobicContact CG2-CE1 4.3Å; T1251-Y1371 HydrophobicContact CG2-CE2 3.65Å; T1251-Y1371 HydrophobicContact CG2-CG 3.42Å; T1251-Y1371 VanDerWaalsContact CG2-CG 3.42Å; N1368-Y1371 PolarHBondContact O-N 3.22Å; N1368-Y1371 VanDerWaalsContact O-N 3.11Å; F1369-Y1371 PolarHBondContact O-N 3.1Å; Y1371-E1822 WeakPolarHBondContact CE2-OE2 3.35Å |
| 1372 | L | 60.4 | Low | 66.2 | Low | 27 Ų | 27 | 29.8 Ų | 29.8 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -83.4 | -23.4 | -174.4 | -58 | 175.9 | 0 | 0 | 0 | 113.8 | G272 V273 K280 N1368 F1369 D1370 | G272-L1372 WeakPolarHBondContact O-CD1 3.27Å; V273-L1372 HydrophobicContact CG2-CD1 4.34Å; V273-L1372 HydrophobicContact CG2-CD2 3.78Å; K280-L1372 VanDerWaalsContact CE-O 3.29Å; K280-L1372 WeakPolarHBondContact CE-O 3.45Å; K280-L1372 PolarHBondContact NZ-O 3.05Å; N1368-L1372 HydrophobicContact CB-CD1 4.04Å; N1368-L1372 WeakPolarHBondContact O-CG 3.26Å; N1368-L1372 PolarHBondContact O-N 3.04Å; F1369-L1372 CarbonylContact O-C 3.42Å; F1369-L1372 PolarHBondContact O-N 2.75Å; D1370-L1372 VanDerWaalsContact C-N 3.3Å |
| 1373 | T | 62.7 | Low | 66.7 | Low | 26 Ų | 26 | 31.1 Ų | 31.1 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.8 | -24.3 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | A279 K280 F1369 D1375 I1865 | A279-T1373 HydrophobicContact CB-CG2 4.42Å; K280-T1373 WeakPolarHBondContact CE-O 3.25Å; F1369-T1373 HydrophobicContact CD1-CG2 3.99Å; F1369-T1373 HydrophobicContact CD2-CG2 3.61Å; F1369-T1373 HydrophobicContact CE1-CG2 3.84Å; F1369-T1373 HydrophobicContact CE2-CG2 3.43Å; F1369-T1373 VanDerWaalsContact CE2-CG2 3.43Å; F1369-T1373 HydrophobicContact CG-CG2 3.88Å; F1369-T1373 HydrophobicContact CZ-CG2 3.56Å; F1369-T1373 WeakPolarHBondContact O-CB 3.16Å; F1369-T1373 WeakPolarHBondContact O-CG2 3.42Å; F1369-T1373 PolarHBondContact O-N 3.31Å; F1369-T1373 PolarHBondContact O-OG1 2.88Å; T1373-D1375 PolarHBondContact O-N 2.84Å; T1373-I1865 HydrophobicContact CG2-CD1 3.85Å; T1373-I1865 VanDerWaalsContact OG1-CD1 3.31Å; T1373-I1865 WeakPolarHBondContact OG1-CD1 3.38Å |
| 1374 | R | 63.6 | Low | 67.7 | Low | 27 Ų | 27 | 30.4 Ų | 30.4 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -57.1 | 123.7 | -179.1 | -179.6 | 174.3 | 69 | -147.9 | -6.2 | 109.8 | D1370 S1376 I1378 H1382 | D1370-R1374 WeakPolarHBondContact O-CB 3.33Å; D1370-R1374 PolarHBondContact O-N 3.17Å; R1374-S1376 PolarHBondContact O-N 3.12Å; R1374-I1378 HydrophobicContact CG-CG2 4.03Å; R1374-H1382 PolarHBondContact NE-CE1 3.24Å; R1374-H1382 PolarHBondContact NE-NE2 3.27Å; R1374-H1382 VanDerWaalsContact NE-NE2 3.18Å; R1374-H1382 PolarHBondContact NH2-CD2 3.38Å; R1374-H1382 PolarHBondContact NH2-NE2 2.9Å |
| 1375 | D | 55.5 | Low | 68.4 | Low | 75 Ų | 75 | 32.8 Ų | 32.8 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | trans | -65.8 | 123.2 | 169.8 | -80 | -41.7 | 0 | 0 | 0 | 108.9 | T1373 S1377 I1378 | T1373-D1375 PolarHBondContact O-N 2.84Å; D1375-S1377 PolarHBondContact O-N 2.97Å; D1375-I1378 WeakPolarHBondContact O-CG2 3.43Å; D1375-I1378 PolarHBondContact O-N 2.77Å | ||
| 1376 | S | 57.3 | Low | 69.2 | Low | 92 Ų | 92 | 33.2 Ų | 33.2 | 64% | 0.643 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -1.3 | 173 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | R1374 H1383 | R1374-S1376 PolarHBondContact O-N 3.12Å; S1376-H1383 PolarHBondContact O-CE1 3.03Å; S1376-H1383 VanDerWaalsContact O-CE1 3.27Å |
| 1377 | S | 63.8 | Low | 70.4 | Confident | 100 Ų | 100 | 32.2 Ų | 32.2 | 70% | 0.699 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.7 | 172 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | D1375 | D1375-S1377 PolarHBondContact O-N 2.97Š|
| 1378 | I | 72.4 | Confident | 71.5 | Confident | 74 Ų | 74 | 31 Ų | 31 | 38% | 0.379 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -98.6 | 144.6 | 174 | -153.5 | 172.1 | 0 | 0 | 0 | 111.3 | R1374 D1375 G1380 H1383 | R1374-I1378 HydrophobicContact CG-CG2 4.03Å; D1375-I1378 WeakPolarHBondContact O-CG2 3.43Å; D1375-I1378 PolarHBondContact O-N 2.77Å; I1378-G1380 PolarHBondContact O-N 3.23Å; I1378-H1383 PolarHBondContact O-CE1 3.04Å; I1378-H1383 VanDerWaalsContact O-CE1 3.29Å; I1378-H1383 PolarHBondContact O-ND1 2.69Å |
| 1379 | L | 76.5 | Confident | 72.6 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -67.1 | 133 | 170.6 | -165.5 | 74.9 | 0 | 0 | 0 | 109.5 | H1383 L1384 P1417 V1418 S1459 L1460 | L1379-H1383 HydrophobicContact CD1-CB 3.62Å; L1379-L1384 HydrophobicContact CD1-CD2 4.32Å; L1379-L1384 HydrophobicContact CD2-CD2 4.18Å; L1379-L1384 HydrophobicContact CG-CD2 4.4Å; L1379-P1417 HydrophobicContact CB-CB 4.43Å; L1379-P1417 HydrophobicContact CD1-CB 4.19Å; L1379-P1417 HydrophobicContact CD1-CG 4.05Å; L1379-V1418 HydrophobicContact CD1-CG2 4Å; L1379-S1459 WeakPolarHBondContact CD2-OG 3.47Å; L1379-L1460 HydrophobicContact CB-CD2 4.17Å | ||
| 1380 | G | 75.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -156.4 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | I1378 H1382 H1383 | I1378-G1380 PolarHBondContact O-N 3.23Å; G1380-H1382 PolarHBondContact O-N 2.78Å; G1380-H1382 PolarHBondContact O-ND1 2.91Å; G1380-H1383 PolarHBondContact O-N 2.8Å | ||
| 1381 | P | 76.6 | Confident | 75.2 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -45.5 | -169.1 | -31.3 | 35 | 0 | 0 | 0 | 114.2 | R1083 F1087 H1383 L1384 | R1083-P1381 HydrophobicContact CB-CG 3.47Å; R1083-P1381 VanDerWaalsContact CB-CG 3.47Å; F1087-P1381 HydrophobicContact CB-CB 4.48Å; F1087-P1381 HydrophobicContact CD2-CB 4.29Å; P1381-H1383 PolarHBondContact O-N 3.38Å; P1381-L1384 VanDerWaalsContact O-CB 3.23Å; P1381-L1384 WeakPolarHBondContact O-CB 3.45Å; P1381-L1384 WeakPolarHBondContact O-CG 3.26Å; P1381-L1384 PolarHBondContact O-N 3.14Å |
| 1382 | H | 70.8 | Confident | 76.3 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.06 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | -72.6 | 175.6 | 61.4 | -23.8 | 0 | 0 | 0 | 112.8 | R1374 G1380 L1384 D1385 E1822 S1823 | R1374-H1382 PolarHBondContact NE-CE1 3.24Å; R1374-H1382 PolarHBondContact NE-NE2 3.27Å; R1374-H1382 VanDerWaalsContact NE-NE2 3.18Å; R1374-H1382 PolarHBondContact NH2-CD2 3.38Å; R1374-H1382 PolarHBondContact NH2-NE2 2.9Å; G1380-H1382 PolarHBondContact O-N 2.78Å; G1380-H1382 PolarHBondContact O-ND1 2.91Å; H1382-L1384 PolarHBondContact O-N 3.48Å; H1382-D1385 VanDerWaalsContact O-CB 3.3Å; H1382-D1385 WeakPolarHBondContact O-CB 3.08Å; H1382-D1385 PolarHBondContact O-N 2.68Å; H1382-E1822 CarbonylContact C-O 3.19Å; H1382-E1822 WeakPolarHBondContact CA-O 3.4Å; H1382-E1822 WeakPolarHBondContact CB-O 3.47Å; H1382-S1823 WeakPolarHBondContact O-CB 3.42Å; H1382-S1823 PolarHBondContact O-OG 2.87Å |
| 1383 | H | 80.8 | Confident | 77.5 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 13% | 0.13 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.2 | -27.2 | 179.9 | -68.8 | 138.5 | 0 | 0 | 0 | 115.5 | S1376 I1378 L1379 G1380 P1381 D1385 E1386 V1418 | S1376-H1383 PolarHBondContact O-CE1 3.03Å; S1376-H1383 VanDerWaalsContact O-CE1 3.27Å; I1378-H1383 PolarHBondContact O-CE1 3.04Å; I1378-H1383 VanDerWaalsContact O-CE1 3.29Å; I1378-H1383 PolarHBondContact O-ND1 2.69Å; L1379-H1383 HydrophobicContact CD1-CB 3.62Å; G1380-H1383 PolarHBondContact O-N 2.8Å; P1381-H1383 PolarHBondContact O-N 3.38Å; H1383-D1385 VanDerWaalsContact C-N 3.28Å; H1383-D1385 PolarHBondContact O-N 3.03Å; H1383-E1386 PolarHBondContact O-N 2.88Å; H1383-V1418 HydrophobicContact CB-CG2 3.62Å; H1383-V1418 WeakPolarHBondContact O-CG2 3.4Å |
| 1384 | L | 87.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.4 | -19.7 | 177.4 | -49.9 | 176.1 | 0 | 0 | 0 | 113.6 | C1084 F1087 L1379 P1381 H1382 E1386 F1387 V1388 L1452 I1456 | C1084-L1384 HydrophobicContact CB-CD1 4.46Å; F1087-L1384 HydrophobicContact CB-CD1 4.13Å; F1087-L1384 HydrophobicContact CD1-CB 3.68Å; F1087-L1384 HydrophobicContact CD1-CD1 3.48Å; F1087-L1384 VanDerWaalsContact CD1-CD1 3.48Å; F1087-L1384 HydrophobicContact CD1-CG 4.24Å; F1087-L1384 HydrophobicContact CE1-CB 3.33Å; F1087-L1384 HydrophobicContact CE1-CD1 4.09Å; F1087-L1384 HydrophobicContact CE1-CG 4.36Å; F1087-L1384 HydrophobicContact CG-CB 4.43Å; F1087-L1384 HydrophobicContact CG-CD1 3.91Å; F1087-L1384 HydrophobicContact CZ-CB 3.82Å; L1379-L1384 HydrophobicContact CD1-CD2 4.32Å; L1379-L1384 HydrophobicContact CD2-CD2 4.18Å; L1379-L1384 HydrophobicContact CG-CD2 4.4Å; P1381-L1384 VanDerWaalsContact O-CB 3.23Å; P1381-L1384 WeakPolarHBondContact O-CB 3.45Å; P1381-L1384 WeakPolarHBondContact O-CG 3.26Å; P1381-L1384 PolarHBondContact O-N 3.14Å; H1382-L1384 PolarHBondContact O-N 3.48Å; L1384-E1386 VanDerWaalsContact C-N 3.26Å; L1384-E1386 PolarHBondContact O-N 3.35Å; L1384-F1387 WeakPolarHBondContact O-CA 3.5Å; L1384-F1387 VanDerWaalsContact O-CB 3.27Å; L1384-F1387 WeakPolarHBondContact O-CB 3.17Å; L1384-F1387 PolarHBondContact O-N 3.49Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.49Å; L1384-V1388 PolarHBondContact O-N 3.03Å; L1384-V1388 VanDerWaalsContact O-N 3.15Å; L1384-L1452 HydrophobicContact CB-CD1 4.33Å; L1384-L1452 HydrophobicContact CD1-CD1 4.45Å; L1384-L1452 HydrophobicContact CD2-CD1 4.06Å; L1384-I1456 HydrophobicContact CD1-CD1 3.61Å; L1384-I1456 HydrophobicContact CD1-CG1 4.09Å; L1384-I1456 HydrophobicContact CD2-CD1 4.15Å; L1384-I1456 HydrophobicContact CD2-CG1 3.85Å |
| 1385 | D | 83.3 | Confident | 79.9 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -34.6 | 172.4 | -128.9 | 13.9 | 0 | 0 | 0 | 111.6 | H1382 H1383 F1387 V1388 R1389 E1822 S1823 | H1382-D1385 VanDerWaalsContact O-CB 3.3Å; H1382-D1385 WeakPolarHBondContact O-CB 3.08Å; H1382-D1385 PolarHBondContact O-N 2.68Å; H1383-D1385 VanDerWaalsContact C-N 3.28Å; H1383-D1385 PolarHBondContact O-N 3.03Å; D1385-F1387 VanDerWaalsContact C-N 3.31Å; D1385-F1387 PolarHBondContact O-N 3.43Å; D1385-V1388 PolarHBondContact O-N 3.28Å; D1385-R1389 VanDerWaalsContact O-CB 3.32Å; D1385-R1389 WeakPolarHBondContact O-CB 3.48Å; D1385-R1389 PolarHBondContact O-N 3.15Å; D1385-E1822 WeakPolarHBondContact OD2-CA 3.29Å; D1385-E1822 PolarHBondContact OD2-N 2.04Å; D1385-S1823 WeakPolarHBondContact CB-OG 3.37Å; D1385-S1823 PolarHBondContact OD2-N 2.82Å |
| 1386 | E | 84.3 | Confident | 81.1 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 170.8 | 170.5 | 162.7 | -112.7 | 0 | 0 | 111.4 | H1383 L1384 V1388 R1389 V1390 M1414 E1415 S1823 | H1383-E1386 PolarHBondContact O-N 2.88Å; L1384-E1386 VanDerWaalsContact C-N 3.26Å; L1384-E1386 PolarHBondContact O-N 3.35Å; E1386-V1388 PolarHBondContact O-N 3.04Å; E1386-R1389 PolarHBondContact O-N 3Å; E1386-R1389 IonicContact OE1-NH2 2.98Å; E1386-R1389 PolarHBondContact OE1-NH2 3.19Å; E1386-V1390 HydrophobicContact CG-CG2 4.03Å; E1386-V1390 WeakPolarHBondContact O-CB 3.3Å; E1386-V1390 WeakPolarHBondContact O-CG2 3.23Å; E1386-V1390 PolarHBondContact O-N 3.5Å; E1386-M1414 HydrophobicContact CG-CG 3.98Å; E1386-M1414 HydrophobicContact CG-SD 4.36Å; E1386-E1415 PolarHBondContact OE2-N 2.96Å; E1386-S1823 PolarHBondContact N-OG 2.04Å |
| 1387 | F | 90.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.6 | 176.5 | -82.5 | 0 | 0 | 0 | 111.2 | L1384 D1385 R1389 W1391 M1410 M1414 V1418 F1448 T1451 L1452 L1455 | L1384-F1387 WeakPolarHBondContact O-CA 3.5Å; L1384-F1387 VanDerWaalsContact O-CB 3.27Å; L1384-F1387 WeakPolarHBondContact O-CB 3.17Å; L1384-F1387 PolarHBondContact O-N 3.49Å; D1385-F1387 VanDerWaalsContact C-N 3.31Å; D1385-F1387 PolarHBondContact O-N 3.43Å; F1387-R1389 PolarHBondContact O-N 3.21Å; F1387-W1391 AromaticContact CE1-CE3 3.83Å; F1387-W1391 HydrophobicContact CE1-CE3 3.83Å; F1387-W1391 HydrophobicContact CE1-CZ3 4.42Å; F1387-W1391 HydrophobicContact CE2-CE3 4.44Å; F1387-W1391 AromaticContact CZ-CE3 3.61Å; F1387-W1391 HydrophobicContact CZ-CE3 3.61Å; F1387-W1391 AromaticContact CZ-CZ3 3.9Å; F1387-W1391 HydrophobicContact CZ-CZ3 3.9Å; F1387-W1391 WeakPolarHBondContact O-CB 3.22Å; F1387-W1391 PolarHBondContact O-N 3.47Å; F1387-M1410 HydrophobicContact CD2-CE 4.23Å; F1387-M1410 HydrophobicContact CE2-CE 3.6Å; F1387-M1410 HydrophobicContact CZ-CE 4.16Å; F1387-M1414 VanDerWaalsContact CA-SD 3.6Å; F1387-M1414 HydrophobicContact CB-SD 4.02Å; F1387-M1414 HydrophobicContact CD2-CE 3.93Å; F1387-M1414 HydrophobicContact CD2-SD 4.12Å; F1387-M1414 HydrophobicContact CG-SD 4.47Å; F1387-V1418 HydrophobicContact CB-CG1 4.16Å; F1387-F1448 HydrophobicContact CD1-CE2 4.09Å; F1387-F1448 AromaticContact CE1-CD2 3.97Å; F1387-F1448 HydrophobicContact CE1-CD2 3.97Å; F1387-F1448 AromaticContact CE1-CE2 3.71Å; F1387-F1448 HydrophobicContact CE1-CE2 3.71Å; F1387-F1448 HydrophobicContact CE1-CZ 4.31Å; F1387-T1451 HydrophobicContact CE2-CG2 3.92Å; F1387-T1451 HydrophobicContact CZ-CG2 3.79Å; F1387-L1452 HydrophobicContact CD1-CB 4.44Å; F1387-L1452 HydrophobicContact CD1-CD1 3.85Å; F1387-L1452 HydrophobicContact CE1-CB 3.87Å; F1387-L1452 HydrophobicContact CE1-CD1 4.13Å; F1387-L1452 HydrophobicContact CE1-CG 4.4Å; F1387-L1452 HydrophobicContact CG-CD1 4.17Å; F1387-L1452 HydrophobicContact CZ-CB 4.17Å; F1387-L1455 HydrophobicContact CD2-CD2 3.77Å; F1387-L1455 HydrophobicContact CE2-CD2 4.08Å |
| 1388 | V | 89.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.3 | -164.1 | 0 | 0 | 0 | 0 | 111.5 | F1087 R1092 L1094 L1384 D1385 E1386 A1392 F1448 | F1087-V1388 HydrophobicContact CE1-CG2 4.13Å; F1087-V1388 HydrophobicContact CZ-CG2 4.04Å; R1092-V1388 VanDerWaalsContact O-CG1 3.22Å; R1092-V1388 WeakPolarHBondContact O-CG1 3.41Å; L1094-V1388 HydrophobicContact CD1-CB 4.48Å; L1094-V1388 HydrophobicContact CD1-CG1 3.83Å; L1094-V1388 HydrophobicContact CG-CG1 3.82Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.49Å; L1384-V1388 PolarHBondContact O-N 3.03Å; L1384-V1388 VanDerWaalsContact O-N 3.15Å; D1385-V1388 PolarHBondContact O-N 3.28Å; E1386-V1388 PolarHBondContact O-N 3.04Å; V1388-A1392 PolarHBondContact O-N 3.5Å; V1388-F1448 HydrophobicContact CG1-CE2 4.38Å; V1388-F1448 HydrophobicContact CG1-CZ 4.33Å; V1388-F1448 HydrophobicContact CG2-CZ 4.1Å |
| 1389 | R | 85.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 31.2 Ų | 31.2 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.3 | -178.2 | -172.7 | 67.3 | -171.6 | 1.6 | 113.1 | D1385 E1386 F1387 T1825 | D1385-R1389 VanDerWaalsContact O-CB 3.32Å; D1385-R1389 WeakPolarHBondContact O-CB 3.48Å; D1385-R1389 PolarHBondContact O-N 3.15Å; E1386-R1389 PolarHBondContact O-N 3Å; E1386-R1389 IonicContact OE1-NH2 2.98Å; E1386-R1389 PolarHBondContact OE1-NH2 3.19Å; F1387-R1389 PolarHBondContact O-N 3.21Å; R1389-T1825 VanDerWaalsContact CZ-OG1 3.27Å; R1389-T1825 PolarHBondContact NH1-OG1 3.48Å; R1389-T1825 PolarHBondContact NH2-OG1 3.03Å |
| 1390 | V | 87.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.9 | -34.1 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | E1386 A1392 E1393 Y1394 M1410 M1414 | E1386-V1390 HydrophobicContact CG-CG2 4.03Å; E1386-V1390 WeakPolarHBondContact O-CB 3.3Å; E1386-V1390 WeakPolarHBondContact O-CG2 3.23Å; E1386-V1390 PolarHBondContact O-N 3.5Å; V1390-A1392 PolarHBondContact O-N 2.81Å; V1390-E1393 WeakPolarHBondContact O-CB 3.44Å; V1390-E1393 PolarHBondContact O-N 3.03Å; V1390-Y1394 HydrophobicContact CG1-CD2 4.5Å; V1390-Y1394 HydrophobicContact CG1-CE2 4.14Å; V1390-Y1394 WeakPolarHBondContact O-CD2 3.47Å; V1390-M1410 HydrophobicContact CG1-CG 3.87Å; V1390-M1414 HydrophobicContact CB-CG 3.99Å; V1390-M1414 HydrophobicContact CB-SD 4.23Å; V1390-M1414 HydrophobicContact CG1-CG 4.03Å; V1390-M1414 HydrophobicContact CG2-CG 3.9Å |
| 1391 | W | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.5 | -41.8 | 169.7 | -174 | -75.8 | 0 | 0 | 0 | 111.3 | F1387 E1393 Y1394 D1395 I1402 M1410 F1448 T1451 | F1387-W1391 AromaticContact CE1-CE3 3.83Å; F1387-W1391 HydrophobicContact CE1-CE3 3.83Å; F1387-W1391 HydrophobicContact CE1-CZ3 4.42Å; F1387-W1391 HydrophobicContact CE2-CE3 4.44Å; F1387-W1391 AromaticContact CZ-CE3 3.61Å; F1387-W1391 HydrophobicContact CZ-CE3 3.61Å; F1387-W1391 AromaticContact CZ-CZ3 3.9Å; F1387-W1391 HydrophobicContact CZ-CZ3 3.9Å; F1387-W1391 WeakPolarHBondContact O-CB 3.22Å; F1387-W1391 PolarHBondContact O-N 3.47Å; W1391-E1393 PolarHBondContact O-N 2.78Å; W1391-E1393 VanDerWaalsContact O-N 3.08Å; W1391-Y1394 PolarHBondContact O-N 2.03Å; W1391-Y1394 VanDerWaalsContact O-N 3.1Å; W1391-D1395 PolarHBondContact NE1-OD2 3.12Å; W1391-D1395 PolarHBondContact O-N 3.37Å; W1391-I1402 HydrophobicContact CD2-CD1 3.33Å; W1391-I1402 HydrophobicContact CD2-CG1 4.11Å; W1391-I1402 VanDerWaalsContact CE2-CD1 3.41Å; W1391-I1402 HydrophobicContact CE3-CD1 3.6Å; W1391-I1402 HydrophobicContact CE3-CG1 4.45Å; W1391-I1402 HydrophobicContact CG-CD1 3.82Å; W1391-I1402 HydrophobicContact CH2-CB 3.86Å; W1391-I1402 HydrophobicContact CH2-CD1 3.95Å; W1391-I1402 HydrophobicContact CH2-CG1 3.91Å; W1391-I1402 HydrophobicContact CZ2-CB 3.92Å; W1391-I1402 HydrophobicContact CZ2-CD1 3.73Å; W1391-I1402 HydrophobicContact CZ2-CG1 3.54Å; W1391-I1402 HydrophobicContact CZ3-CB 4.39Å; W1391-I1402 HydrophobicContact CZ3-CD1 3.89Å; W1391-I1402 HydrophobicContact CZ3-CG1 4.36Å; W1391-M1410 HydrophobicContact CB-SD 4.5Å; W1391-M1410 HydrophobicContact CD2-SD 4.5Å; W1391-M1410 HydrophobicContact CE3-CE 4.01Å; W1391-M1410 HydrophobicContact CE3-SD 3.84Å; W1391-M1410 HydrophobicContact CZ3-CE 4.27Å; W1391-M1410 HydrophobicContact CZ3-SD 4.46Å; W1391-F1448 HydrophobicContact CB-CE2 4.49Å; W1391-F1448 AromaticContact CD2-CD2 3.58Å; W1391-F1448 HydrophobicContact CD2-CD2 3.58Å; W1391-F1448 HydrophobicContact CD2-CE2 4.29Å; W1391-F1448 AromaticContact CE2-CD2 3.75Å; W1391-F1448 AromaticContact CE3-CD2 3.95Å; W1391-F1448 HydrophobicContact CE3-CD2 3.95Å; W1391-F1448 AromaticContact CG-CD2 3.86Å; W1391-F1448 HydrophobicContact CG-CD2 3.86Å; W1391-F1448 HydrophobicContact CG-CE2 4.19Å; W1391-F1448 HydrophobicContact CH2-CB 4.1Å; W1391-F1448 HydrophobicContact CZ2-CB 3.82Å; W1391-F1448 HydrophobicContact CZ2-CD2 4.28Å; W1391-F1448 HydrophobicContact CZ3-CD2 4.46Å; W1391-T1451 HydrophobicContact CZ3-CG2 4.24Å |
| 1392 | A | 86.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -3.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1094 R1096 V1388 V1390 | L1094-A1392 HydrophobicContact CB-CB 4.02Å; L1094-A1392 VanDerWaalsContact O-CB 3.27Å; L1094-A1392 WeakPolarHBondContact O-CB 3.4Å; R1096-A1392 HydrophobicContact CG-CB 4.39Å; V1388-A1392 PolarHBondContact O-N 3.5Å; V1390-A1392 PolarHBondContact O-N 2.81Å |
| 1393 | E | 85.5 | Confident | 86.4 | Confident | 112 Ų | 112 | 36.5 Ų | 36.5 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -90.5 | -30.9 | 170.7 | -66.9 | -172.5 | 165.3 | 0 | 0 | 112.4 | R1096 V1390 W1391 | R1096-E1393 VanDerWaalsContact CZ-CG 3.45Å; R1096-E1393 IonicContact CZ-OE1 3.61Å; R1096-E1393 VanDerWaalsContact NH1-CG 3.28Å; R1096-E1393 IonicContact NH1-OE1 3.9Å; R1096-E1393 PolarHBondContact NH1-OE1 2.77Å; R1096-E1393 IonicContact NH2-OE1 3.93Å; R1096-E1393 PolarHBondContact NH2-OE1 3.22Å; V1390-E1393 WeakPolarHBondContact O-CB 3.44Å; V1390-E1393 PolarHBondContact O-N 3.03Å; W1391-E1393 PolarHBondContact O-N 2.78Å; W1391-E1393 VanDerWaalsContact O-N 3.08Å |
| 1394 | Y | 88.8 | Confident | 86.7 | Confident | 68 Ų | 68 | 36.3 Ų | 36.3 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -90.4 | -33 | 175.3 | -66.7 | -88.8 | 0 | 0 | 0 | 111.9 | V1390 W1391 P1396 I1402 D1406 M1410 N1413 | V1390-Y1394 HydrophobicContact CG1-CD2 4.5Å; V1390-Y1394 HydrophobicContact CG1-CE2 4.14Å; V1390-Y1394 WeakPolarHBondContact O-CD2 3.47Å; W1391-Y1394 PolarHBondContact O-N 2.03Å; W1391-Y1394 VanDerWaalsContact O-N 3.1Å; Y1394-P1396 VanDerWaalsContact O-CD 3.27Å; Y1394-P1396 WeakPolarHBondContact O-CD 3.33Å; Y1394-I1402 HydrophobicContact CG-CD1 4.48Å; Y1394-D1406 HydrophobicContact CD1-CB 3.89Å; Y1394-D1406 HydrophobicContact CE1-CB 4.2Å; Y1394-M1410 HydrophobicContact CD2-CB 4.08Å; Y1394-M1410 HydrophobicContact CD2-CG 3.87Å; Y1394-M1410 HydrophobicContact CD2-SD 4.48Å; Y1394-M1410 HydrophobicContact CE2-CB 3.73Å; Y1394-M1410 HydrophobicContact CE2-CG 3.81Å; Y1394-M1410 PolarHBondContact OH-N 3.47Å; Y1394-N1413 PolarHBondContact OH-ND2 2.79Å |
| 1395 | D | 88.5 | Confident | 86.7 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | trans | -117.7 | 68.2 | 176.8 | 178.8 | 22.5 | 0 | 0 | 0 | 111.2 | W1391 G1397 A1398 T1399 G1400 I1402 | W1391-D1395 PolarHBondContact NE1-OD2 3.12Å; W1391-D1395 PolarHBondContact O-N 3.37Å; D1395-G1397 PolarHBondContact O-N 3.27Å; D1395-G1397 VanDerWaalsContact O-N 3.12Å; D1395-A1398 PolarHBondContact O-N 3.46Å; D1395-A1398 VanDerWaalsContact O-N 3.08Å; D1395-A1398 PolarHBondContact OD1-N 3.2Å; D1395-A1398 WeakPolarHBondContact OD2-CA 3.29Å; D1395-T1399 VanDerWaalsContact CG-N 3.28Å; D1395-T1399 VanDerWaalsContact CG-OG1 3.24Å; D1395-T1399 WeakPolarHBondContact OD1-CB 3.32Å; D1395-T1399 PolarHBondContact OD1-N 3.14Å; D1395-T1399 PolarHBondContact OD1-OG1 3.39Å; D1395-T1399 PolarHBondContact OD2-N 3.33Å; D1395-T1399 PolarHBondContact OD2-OG1 3.4Å; D1395-G1400 PolarHBondContact OD2-N 3Å; D1395-I1402 HydrophobicContact CB-CD1 4.35Å; D1395-I1402 HydrophobicContact CB-CG1 4.06Å | ||
| 1396 | P | 80.1 | Confident | 87 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | -177.6 | 27.4 | -36.1 | 0 | 0 | 0 | 113.5 | R1096 Y1394 | R1096-P1396 PolarHBondContact N-O 2.9Å; Y1394-P1396 VanDerWaalsContact O-CD 3.27Å; Y1394-P1396 WeakPolarHBondContact O-CD 3.33Å |
| 1397 | G | 79.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 55% | 0.546 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1395 | D1395-G1397 PolarHBondContact O-N 3.27Å; D1395-G1397 VanDerWaalsContact O-N 3.12Å |
| 1398 | A | 83.6 | Confident | 87 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | trans | 56.6 | 46.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1093 C1095 D1395 G1400 | P1093-A1398 HydrophobicContact CB-CB 3.91Å; P1093-A1398 HydrophobicContact CG-CB 3.97Å; P1093-A1398 WeakPolarHBondContact O-CB 3.33Å; C1095-A1398 HydrophobicContact CB-CB 4.38Å; C1095-A1398 VanDerWaalsContact SG-CB 3.5Å; D1395-A1398 PolarHBondContact O-N 3.46Å; D1395-A1398 VanDerWaalsContact O-N 3.08Å; D1395-A1398 PolarHBondContact OD1-N 3.2Å; D1395-A1398 WeakPolarHBondContact OD2-CA 3.29Å; A1398-G1400 VanDerWaalsContact C-N 3.28Å | ||
| 1399 | T | 85.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 60% | 0.595 | 25% | 0.254 | S | S | * | . | trans | -70.2 | -22.2 | 174.7 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | D1395 L1401 | D1395-T1399 VanDerWaalsContact CG-N 3.28Å; D1395-T1399 VanDerWaalsContact CG-OG1 3.24Å; D1395-T1399 WeakPolarHBondContact OD1-CB 3.32Å; D1395-T1399 PolarHBondContact OD1-N 3.14Å; D1395-T1399 PolarHBondContact OD1-OG1 3.39Å; D1395-T1399 PolarHBondContact OD2-N 3.33Å; D1395-T1399 PolarHBondContact OD2-OG1 3.4Å; T1399-L1401 VanDerWaalsContact C-N 3.28Å; T1399-L1401 PolarHBondContact OG1-N 3.15Å; T1399-L1401 PolarHBondContact OG1-O 3.36Å | ||
| 1400 | G | 86.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 79 | 9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1395 A1398 H1447 F1448 | D1395-G1400 PolarHBondContact OD2-N 3Å; A1398-G1400 VanDerWaalsContact C-N 3.28Å; G1400-H1447 WeakPolarHBondContact O-CA 3.43Å; G1400-H1447 PolarHBondContact O-CD2 3.46Å; G1400-F1448 PolarHBondContact O-N 2.91Å |
| 1401 | L | 89.7 | Confident | 87.1 | Confident | 73 Ų | 73 | 45 Ų | 45 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.3 | -179 | -66.3 | 172.7 | 0 | 0 | 0 | 110.4 | T1399 C1445 H1447 | T1399-L1401 VanDerWaalsContact C-N 3.28Å; T1399-L1401 PolarHBondContact OG1-N 3.15Å; T1399-L1401 PolarHBondContact OG1-O 3.36Å; L1401-C1445 HydrophobicContact CB-CB 4.19Å; L1401-C1445 HydrophobicContact CD2-CB 4.27Å; L1401-H1447 HydrophobicContact CD2-CB 4.38Å |
| 1402 | I | 89.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | 170.1 | -75.2 | 177.5 | 0 | 0 | 0 | 109 | W1391 Y1394 D1395 D1406 V1407 M1410 C1445 V1446 | W1391-I1402 HydrophobicContact CD2-CD1 3.33Å; W1391-I1402 HydrophobicContact CD2-CG1 4.11Å; W1391-I1402 VanDerWaalsContact CE2-CD1 3.41Å; W1391-I1402 HydrophobicContact CE3-CD1 3.6Å; W1391-I1402 HydrophobicContact CE3-CG1 4.45Å; W1391-I1402 HydrophobicContact CG-CD1 3.82Å; W1391-I1402 HydrophobicContact CH2-CB 3.86Å; W1391-I1402 HydrophobicContact CH2-CD1 3.95Å; W1391-I1402 HydrophobicContact CH2-CG1 3.91Å; W1391-I1402 HydrophobicContact CZ2-CB 3.92Å; W1391-I1402 HydrophobicContact CZ2-CD1 3.73Å; W1391-I1402 HydrophobicContact CZ2-CG1 3.54Å; W1391-I1402 HydrophobicContact CZ3-CB 4.39Å; W1391-I1402 HydrophobicContact CZ3-CD1 3.89Å; W1391-I1402 HydrophobicContact CZ3-CG1 4.36Å; Y1394-I1402 HydrophobicContact CG-CD1 4.48Å; D1395-I1402 HydrophobicContact CB-CD1 4.35Å; D1395-I1402 HydrophobicContact CB-CG1 4.06Å; I1402-D1406 HydrophobicContact CG2-CB 3.83Å; I1402-V1407 HydrophobicContact CG2-CG2 3.87Å; I1402-M1410 HydrophobicContact CD1-SD 3.84Å; I1402-C1445 CarbonylContact O-C 3.48Å; I1402-C1445 WeakPolarHBondContact O-CA 3.41Å; I1402-V1446 PolarHBondContact N-O 3.31Å; I1402-V1446 VanDerWaalsContact N-O 3.16Å; I1402-V1446 PolarHBondContact O-N 2.94Å |
| 1403 | H | 90.1 | Very high | 86.9 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 27% | 0.269 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 138.3 | 178.4 | 175.7 | -107 | 0 | 0 | 0 | 111.2 | R1405 D1406 G1444 | H1403-R1405 PolarHBondContact O-N 3.2Å; H1403-D1406 IonicContact ND1-OD1 2.61Å; H1403-D1406 PolarHBondContact O-N 2.96Å; H1403-G1444 PolarHBondContact CD2-O 3.11Å; H1403-G1444 VanDerWaalsContact CD2-O 3.3Å |
| 1404 | H | 86.7 | Confident | 86.9 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23 | -166.6 | 67.1 | -84.2 | 0 | 0 | 0 | 116.2 | G1444 V1446 Y1514 | H1404-G1444 PolarHBondContact N-O 3.46Å; H1404-G1444 PolarHBondContact ND1-O 2.69Å; H1404-V1446 HydrophobicContact CB-CG2 4.12Å; H1404-Y1514 PolarHBondContact O-OH 2.87Å |
| 1405 | R | 86.9 | Confident | 86.6 | Confident | 150 Ų | 150 | 48.9 Ų | 48.9 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -41.2 | 176.5 | -63.9 | -176 | -173.6 | 169.8 | 0.2 | 112 | H1403 V1407 Y1408 | H1403-R1405 PolarHBondContact O-N 3.2Å; R1405-V1407 VanDerWaalsContact C-N 3.25Å; R1405-V1407 PolarHBondContact O-N 3.22Å; R1405-Y1408 PolarHBondContact O-N 2.96Å |
| 1406 | D | 89.8 | Confident | 86.1 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73 | -27.9 | -170.2 | -40.8 | -18.8 | 0 | 0 | 0 | 109.8 | Y1394 I1402 H1403 Y1408 E1409 M1410 | Y1394-D1406 HydrophobicContact CD1-CB 3.89Å; Y1394-D1406 HydrophobicContact CE1-CB 4.2Å; I1402-D1406 HydrophobicContact CG2-CB 3.83Å; H1403-D1406 IonicContact ND1-OD1 2.61Å; H1403-D1406 PolarHBondContact O-N 2.96Å; D1406-Y1408 PolarHBondContact O-N 3.26Å; D1406-E1409 PolarHBondContact O-N 3.32Å; D1406-M1410 WeakPolarHBondContact O-CB 3.35Å; D1406-M1410 PolarHBondContact O-N 3.42Å |
| 1407 | V | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.3 | -37.8 | 171.4 | -178 | 0 | 0 | 0 | 0 | 112.2 | I1402 R1405 L1411 L1433 V1446 T1451 | I1402-V1407 HydrophobicContact CG2-CG2 3.87Å; R1405-V1407 VanDerWaalsContact C-N 3.25Å; R1405-V1407 PolarHBondContact O-N 3.22Å; V1407-L1411 HydrophobicContact CG1-CD1 3.82Å; V1407-L1411 HydrophobicContact CG1-CG 4.5Å; V1407-L1411 WeakPolarHBondContact O-CB 3.39Å; V1407-L1411 WeakPolarHBondContact O-CD1 3.47Å; V1407-L1411 VanDerWaalsContact O-CG 3.25Å; V1407-L1411 WeakPolarHBondContact O-CG 3.24Å; V1407-L1411 PolarHBondContact O-N 2.92Å; V1407-L1433 HydrophobicContact CG1-CD2 4.41Å; V1407-V1446 HydrophobicContact CG2-CG2 4.26Å; V1407-T1451 HydrophobicContact CG1-CG2 4.46Å |
| 1408 | Y | 87 | Confident | 86.1 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 177 | 164.5 | -102 | 0 | 0 | 0 | 112.8 | R1405 D1406 R1412 A1429 Y1430 L1433 Y1514 | R1405-Y1408 PolarHBondContact O-N 2.96Å; D1406-Y1408 PolarHBondContact O-N 3.26Å; Y1408-R1412 HydrophobicContact CE2-CG 4.36Å; Y1408-R1412 VanDerWaalsContact CZ-CD 3.48Å; Y1408-R1412 WeakPolarHBondContact O-CG 3.37Å; Y1408-R1412 PolarHBondContact O-N 2.99Å; Y1408-A1429 HydrophobicContact CD2-CB 4.26Å; Y1408-A1429 HydrophobicContact CE2-CB 3.91Å; Y1408-Y1430 HydrophobicContact CD2-CD1 4.32Å; Y1408-Y1430 AromaticContact CD2-CE1 3.98Å; Y1408-Y1430 HydrophobicContact CD2-CE1 3.98Å; Y1408-Y1430 HydrophobicContact CE2-CD1 4.21Å; Y1408-Y1430 AromaticContact CE2-CE1 3.72Å; Y1408-Y1430 HydrophobicContact CE2-CE1 3.72Å; Y1408-L1433 HydrophobicContact CD2-CD1 4.33Å; Y1408-Y1514 WeakPolarHBondContact CB-OH 3.28Å |
| 1409 | E | 86.7 | Confident | 86.1 | Confident | 111 Ų | 111 | 49 Ų | 49 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.7 | -43.4 | 176.3 | -60.1 | -165 | 167.9 | 0 | 0 | 111 | D1406 L1411 R1412 N1413 | D1406-E1409 PolarHBondContact O-N 3.32Å; E1409-L1411 PolarHBondContact O-N 3.09Å; E1409-R1412 CarbonylContact O-C 3.27Å; E1409-R1412 PolarHBondContact O-N 3.01Å; E1409-N1413 WeakPolarHBondContact O-CB 3.31Å; E1409-N1413 PolarHBondContact O-N 2.92Å; E1409-N1413 PolarHBondContact O-ND2 2.6Å |
| 1410 | M | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53 | -51.8 | 173.2 | -168 | -171.2 | 73.6 | 0 | 0 | 111.2 | F1387 V1390 W1391 Y1394 I1402 D1406 R1412 N1413 M1414 | F1387-M1410 HydrophobicContact CD2-CE 4.23Å; F1387-M1410 HydrophobicContact CE2-CE 3.6Å; F1387-M1410 HydrophobicContact CZ-CE 4.16Å; V1390-M1410 HydrophobicContact CG1-CG 3.87Å; W1391-M1410 HydrophobicContact CB-SD 4.5Å; W1391-M1410 HydrophobicContact CD2-SD 4.5Å; W1391-M1410 HydrophobicContact CE3-CE 4.01Å; W1391-M1410 HydrophobicContact CE3-SD 3.84Å; W1391-M1410 HydrophobicContact CZ3-CE 4.27Å; W1391-M1410 HydrophobicContact CZ3-SD 4.46Å; Y1394-M1410 HydrophobicContact CD2-CB 4.08Å; Y1394-M1410 HydrophobicContact CD2-CG 3.87Å; Y1394-M1410 HydrophobicContact CD2-SD 4.48Å; Y1394-M1410 HydrophobicContact CE2-CB 3.73Å; Y1394-M1410 HydrophobicContact CE2-CG 3.81Å; Y1394-M1410 PolarHBondContact OH-N 3.47Å; I1402-M1410 HydrophobicContact CD1-SD 3.84Å; D1406-M1410 WeakPolarHBondContact O-CB 3.35Å; D1406-M1410 PolarHBondContact O-N 3.42Å; M1410-R1412 VanDerWaalsContact C-N 3.27Å; M1410-R1412 PolarHBondContact O-N 2.91Å; M1410-N1413 PolarHBondContact O-N 3.09Å; M1410-M1414 HydrophobicContact CE-CE 4.15Å; M1410-M1414 HydrophobicContact CG-CE 4.15Å; M1410-M1414 WeakPolarHBondContact O-CE 3.36Å; M1410-M1414 PolarHBondContact O-N 3.45Å; M1410-M1414 VanDerWaalsContact O-N 3.15Å |
| 1411 | L | 88.4 | Confident | 86 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -22.5 | 177.8 | -72.7 | 164.9 | 0 | 0 | 0 | 113.9 | V1407 E1409 M1414 G1419 F1420 L1433 L1455 | V1407-L1411 HydrophobicContact CG1-CD1 3.82Å; V1407-L1411 HydrophobicContact CG1-CG 4.5Å; V1407-L1411 WeakPolarHBondContact O-CB 3.39Å; V1407-L1411 WeakPolarHBondContact O-CD1 3.47Å; V1407-L1411 VanDerWaalsContact O-CG 3.25Å; V1407-L1411 WeakPolarHBondContact O-CG 3.24Å; V1407-L1411 PolarHBondContact O-N 2.92Å; E1409-L1411 PolarHBondContact O-N 3.09Å; L1411-M1414 HydrophobicContact CD2-CE 3.79Å; L1411-M1414 HydrophobicContact CG-CE 4.3Å; L1411-G1419 WeakPolarHBondContact O-CA 3.35Å; L1411-F1420 HydrophobicContact CB-CD2 3.82Å; L1411-F1420 HydrophobicContact CB-CE2 3.75Å; L1411-F1420 HydrophobicContact CB-CG 4.37Å; L1411-F1420 HydrophobicContact CB-CZ 4.23Å; L1411-F1420 HydrophobicContact CD1-CE2 3.88Å; L1411-F1420 HydrophobicContact CD1-CZ 3.85Å; L1411-F1420 HydrophobicContact CD2-CZ 4.48Å; L1411-F1420 HydrophobicContact CG-CE2 4.36Å; L1411-F1420 HydrophobicContact CG-CZ 4.43Å; L1411-F1420 PolarHBondContact O-N 3.23Å; L1411-L1433 HydrophobicContact CD1-CD2 3.73Å; L1411-L1433 HydrophobicContact CD1-CG 4.45Å; L1411-L1455 HydrophobicContact CD2-CD1 3.92Å; L1411-L1455 HydrophobicContact CD2-CD2 4.03Å |
| 1412 | R | 87.5 | Confident | 85.7 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -86.6 | -23.2 | 172.4 | -76.7 | -175.2 | 66.7 | -143.6 | -1 | 113.4 | Y1408 E1409 M1410 G1421 K1422 | Y1408-R1412 HydrophobicContact CE2-CG 4.36Å; Y1408-R1412 VanDerWaalsContact CZ-CD 3.48Å; Y1408-R1412 WeakPolarHBondContact O-CG 3.37Å; Y1408-R1412 PolarHBondContact O-N 2.99Å; E1409-R1412 CarbonylContact O-C 3.27Å; E1409-R1412 PolarHBondContact O-N 3.01Å; M1410-R1412 VanDerWaalsContact C-N 3.27Å; M1410-R1412 PolarHBondContact O-N 2.91Å; R1412-G1421 CarbonylContact O-C 3.48Å; R1412-K1422 PolarHBondContact NH2-O 2.64Å; R1412-K1422 WeakPolarHBondContact O-CA 3.12Å; R1412-K1422 VanDerWaalsContact O-CG 3.32Å; R1412-K1422 WeakPolarHBondContact O-CG 2.99Å; R1412-K1422 PolarHBondContact O-N 3.33Å |
| 1413 | N | 85.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -80 | -32.2 | 177.1 | -79.5 | -28.7 | 0 | 0 | 0 | 112.7 | Y1394 E1409 M1410 | Y1394-N1413 PolarHBondContact OH-ND2 2.79Å; E1409-N1413 WeakPolarHBondContact O-CB 3.31Å; E1409-N1413 PolarHBondContact O-N 2.92Å; E1409-N1413 PolarHBondContact O-ND2 2.6Å; M1410-N1413 PolarHBondContact O-N 3.09Å |
| 1414 | M | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -72.4 | 147.6 | 168.9 | -66.8 | 179.8 | -68.1 | 0 | 0 | 112.3 | E1386 F1387 V1390 M1410 L1411 V1418 G1421 | E1386-M1414 HydrophobicContact CG-CG 3.98Å; E1386-M1414 HydrophobicContact CG-SD 4.36Å; F1387-M1414 VanDerWaalsContact CA-SD 3.6Å; F1387-M1414 HydrophobicContact CB-SD 4.02Å; F1387-M1414 HydrophobicContact CD2-CE 3.93Å; F1387-M1414 HydrophobicContact CD2-SD 4.12Å; F1387-M1414 HydrophobicContact CG-SD 4.47Å; V1390-M1414 HydrophobicContact CB-CG 3.99Å; V1390-M1414 HydrophobicContact CB-SD 4.23Å; V1390-M1414 HydrophobicContact CG1-CG 4.03Å; V1390-M1414 HydrophobicContact CG2-CG 3.9Å; M1410-M1414 HydrophobicContact CE-CE 4.15Å; M1410-M1414 HydrophobicContact CG-CE 4.15Å; M1410-M1414 WeakPolarHBondContact O-CE 3.36Å; M1410-M1414 PolarHBondContact O-N 3.45Å; M1410-M1414 VanDerWaalsContact O-N 3.15Å; L1411-M1414 HydrophobicContact CD2-CE 3.79Å; L1411-M1414 HydrophobicContact CG-CE 4.3Å; M1414-V1418 HydrophobicContact SD-CG1 3.88Å; M1414-G1421 WeakPolarHBondContact O-CA 3.19Å; M1414-G1421 PolarHBondContact O-N 3.15Å |
| 1415 | E | 81.6 | Confident | 84.6 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 154.3 | -178.3 | -57.9 | -162.5 | 162 | 0 | 0 | 111.8 | E1386 V1418 G1419 | E1386-E1415 PolarHBondContact OE2-N 2.96Å; E1415-V1418 PolarHBondContact O-N 2.83Å; E1415-V1418 VanDerWaalsContact O-N 3.13Å; E1415-G1419 PolarHBondContact O-N 2.94Å |
| 1416 | P | 78.7 | Confident | 84.4 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 58% | 0.584 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 138 | 169.7 | -18.5 | 32.8 | 0 | 0 | 0 | 110 | ||
| 1417 | P | 77.5 | Confident | 84.1 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89 | -9.9 | 22.5 | 32.9 | -36.5 | 0 | 0 | 0 | 116.4 | L1379 | L1379-P1417 HydrophobicContact CB-CB 4.43Å; L1379-P1417 HydrophobicContact CD1-CB 4.19Å; L1379-P1417 HydrophobicContact CD1-CG 4.05Å |
| 1418 | V | 81.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -59.3 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | L1379 H1383 F1387 M1414 E1415 L1455 | L1379-V1418 HydrophobicContact CD1-CG2 4Å; H1383-V1418 HydrophobicContact CB-CG2 3.62Å; H1383-V1418 WeakPolarHBondContact O-CG2 3.4Å; F1387-V1418 HydrophobicContact CB-CG1 4.16Å; M1414-V1418 HydrophobicContact SD-CG1 3.88Å; E1415-V1418 PolarHBondContact O-N 2.83Å; E1415-V1418 VanDerWaalsContact O-N 3.13Å; V1418-L1455 HydrophobicContact CG1-CD2 4.11Å |
| 1419 | G | 84.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -90.8 | -163.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1411 E1415 | L1411-G1419 WeakPolarHBondContact O-CA 3.35Å; E1415-G1419 PolarHBondContact O-N 2.94Å |
| 1420 | F | 86.5 | Confident | 83.8 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | trans | -98.2 | -22.3 | 171.5 | -53.7 | -24.4 | 0 | 0 | 0 | 111.2 | L1411 C1424 A1429 K1432 L1433 M1436 | L1411-F1420 HydrophobicContact CB-CD2 3.82Å; L1411-F1420 HydrophobicContact CB-CE2 3.75Å; L1411-F1420 HydrophobicContact CB-CG 4.37Å; L1411-F1420 HydrophobicContact CB-CZ 4.23Å; L1411-F1420 HydrophobicContact CD1-CE2 3.88Å; L1411-F1420 HydrophobicContact CD1-CZ 3.85Å; L1411-F1420 HydrophobicContact CD2-CZ 4.48Å; L1411-F1420 HydrophobicContact CG-CE2 4.36Å; L1411-F1420 HydrophobicContact CG-CZ 4.43Å; L1411-F1420 PolarHBondContact O-N 3.23Å; F1420-C1424 HydrophobicContact CB-CB 3.69Å; F1420-C1424 WeakPolarHBondContact O-CB 3.28Å; F1420-A1429 HydrophobicContact CD2-CB 3.42Å; F1420-A1429 VanDerWaalsContact CD2-CB 3.42Å; F1420-A1429 HydrophobicContact CE2-CB 3.65Å; F1420-A1429 HydrophobicContact CG-CB 4.33Å; F1420-K1432 HydrophobicContact CD1-CD 3.82Å; F1420-K1432 HydrophobicContact CE1-CB 3.89Å; F1420-K1432 HydrophobicContact CE1-CD 3.41Å; F1420-K1432 VanDerWaalsContact CE1-CD 3.41Å; F1420-K1432 HydrophobicContact CE1-CG 4.29Å; F1420-K1432 HydrophobicContact CZ-CB 3.82Å; F1420-K1432 HydrophobicContact CZ-CD 4.21Å; F1420-L1433 HydrophobicContact CE2-CD1 4.36Å; F1420-L1433 HydrophobicContact CE2-CG 4.24Å; F1420-L1433 HydrophobicContact CZ-CG 4.32Å; F1420-M1436 HydrophobicContact CE1-CE 4.22Å; F1420-M1436 HydrophobicContact CZ-CE 4.22Å | ||
| 1421 | G | 83.5 | Confident | 83.6 | Confident | 9 Ų | 9 | 62 Ų | 62 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | trans | 74.8 | 154.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1412 M1414 N1423 C1424 | R1412-G1421 CarbonylContact O-C 3.48Å; M1414-G1421 WeakPolarHBondContact O-CA 3.19Å; M1414-G1421 PolarHBondContact O-N 3.15Å; G1421-N1423 PolarHBondContact O-N 2.99Å; G1421-N1423 VanDerWaalsContact O-N 3.13Å; G1421-C1424 WeakPolarHBondContact O-CB 3.39Å; G1421-C1424 PolarHBondContact O-N 3.5Å | ||
| 1422 | K | 81.9 | Confident | 83.4 | Confident | 121 Ų | 121 | 65 Ų | 65 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.7 | -172.6 | -66.8 | 166.2 | -175.8 | 155.9 | 0 | 112.6 | R1412 C1424 | R1412-K1422 PolarHBondContact NH2-O 2.64Å; R1412-K1422 WeakPolarHBondContact O-CA 3.12Å; R1412-K1422 VanDerWaalsContact O-CG 3.32Å; R1412-K1422 WeakPolarHBondContact O-CG 2.99Å; R1412-K1422 PolarHBondContact O-N 3.33Å; K1422-C1424 VanDerWaalsContact C-N 3.34Å; K1422-C1424 PolarHBondContact O-N 3.44Å |
| 1423 | N | 79.4 | Confident | 83.3 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 87% | 0.872 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.3 | -178.9 | -62.8 | -12.1 | 0 | 0 | 0 | 114.5 | G1421 | G1421-N1423 PolarHBondContact O-N 2.99Å; G1421-N1423 VanDerWaalsContact O-N 3.13Å |
| 1424 | C | 80.8 | Confident | 83.2 | Confident | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | trans | -66.4 | 129.9 | 179.1 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | F1420 G1421 K1422 | F1420-C1424 HydrophobicContact CB-CB 3.69Å; F1420-C1424 WeakPolarHBondContact O-CB 3.28Å; G1421-C1424 WeakPolarHBondContact O-CB 3.39Å; G1421-C1424 PolarHBondContact O-N 3.5Å; K1422-C1424 VanDerWaalsContact C-N 3.34Å; K1422-C1424 PolarHBondContact O-N 3.44Å | ||
| 1425 | P | 83.8 | Confident | 83 | Confident | 77 Ų | 77 | 67 Ų | 67 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | trans | -68.1 | 133.8 | 171.4 | 27.6 | -33.1 | 0 | 0 | 0 | 110.7 | R1427 L1428 A1429 | P1425-R1427 PolarHBondContact O-N 3.24Å; P1425-R1427 VanDerWaalsContact O-N 3.07Å; P1425-L1428 HydrophobicContact CG-CB 4Å; P1425-L1428 WeakPolarHBondContact O-CB 3.32Å; P1425-L1428 PolarHBondContact O-N 3.01Å; P1425-A1429 PolarHBondContact O-N 3.28Å | ||
| 1426 | Y | 82.5 | Confident | 82.9 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -46.9 | -42 | -177.1 | 61.9 | -84.3 | 0 | 0 | 0 | 113.7 | L1428 A1429 Y1430 E1521 | Y1426-L1428 VanDerWaalsContact C-N 3.28Å; Y1426-L1428 PolarHBondContact O-N 3.1Å; Y1426-A1429 PolarHBondContact O-N 3.32Å; Y1426-Y1430 HydrophobicContact CD2-CD2 4.42Å; Y1426-Y1430 AromaticContact CD2-CE2 3.98Å; Y1426-Y1430 HydrophobicContact CD2-CE2 3.98Å; Y1426-Y1430 WeakPolarHBondContact O-CD1 3.13Å; Y1426-Y1430 VanDerWaalsContact O-CG 3.27Å; Y1426-Y1430 PolarHBondContact O-N 3.25Å; Y1426-E1521 VanDerWaalsContact CD2-OE2 3.3Å; Y1426-E1521 WeakPolarHBondContact CD2-OE2 3.3Å; Y1426-E1521 WeakPolarHBondContact CE2-OE2 3.43Å |
| 1427 | R | 84.1 | Confident | 82.8 | Confident | 128 Ų | 128 | 61 Ų | 61 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -34.4 | 177.3 | -59.6 | -172.2 | 180 | -174.6 | -4.7 | 113.9 | P1425 R1431 | P1425-R1427 PolarHBondContact O-N 3.24Å; P1425-R1427 VanDerWaalsContact O-N 3.07Å; R1427-R1431 VanDerWaalsContact O-CB 3.3Å; R1427-R1431 WeakPolarHBondContact O-CB 3.24Å; R1427-R1431 PolarHBondContact O-N 3.25Å; R1427-R1431 VanDerWaalsContact O-N 3.11Å |
| 1428 | L | 83.4 | Confident | 83.1 | Confident | 85 Ų | 85 | 59 Ų | 59 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.9 | -41.1 | 178.7 | -177.9 | 61.3 | 0 | 0 | 0 | 111 | P1425 Y1426 R1431 K1432 | P1425-L1428 HydrophobicContact CG-CB 4Å; P1425-L1428 WeakPolarHBondContact O-CB 3.32Å; P1425-L1428 PolarHBondContact O-N 3.01Å; Y1426-L1428 VanDerWaalsContact C-N 3.28Å; Y1426-L1428 PolarHBondContact O-N 3.1Å; L1428-R1431 PolarHBondContact O-N 3.47Å; L1428-K1432 PolarHBondContact O-N 3.32Å |
| 1429 | A | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1408 F1420 P1425 Y1426 R1431 K1432 L1433 | Y1408-A1429 HydrophobicContact CD2-CB 4.26Å; Y1408-A1429 HydrophobicContact CE2-CB 3.91Å; F1420-A1429 HydrophobicContact CD2-CB 3.42Å; F1420-A1429 VanDerWaalsContact CD2-CB 3.42Å; F1420-A1429 HydrophobicContact CE2-CB 3.65Å; F1420-A1429 HydrophobicContact CG-CB 4.33Å; P1425-A1429 PolarHBondContact O-N 3.28Å; Y1426-A1429 PolarHBondContact O-N 3.32Å; A1429-R1431 VanDerWaalsContact C-N 3.34Å; A1429-R1431 PolarHBondContact O-N 3.42Å; A1429-K1432 PolarHBondContact O-N 3.3Å; A1429-L1433 WeakPolarHBondContact O-CG 3.36Å; A1429-L1433 PolarHBondContact O-N 3.11Å |
| 1430 | Y | 87.1 | Confident | 83.3 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.8 | -62.6 | -8.9 | 0 | 0 | 0 | 111.6 | Y1408 Y1426 K1432 L1433 I1434 Y1514 L1518 E1521 | Y1408-Y1430 HydrophobicContact CD2-CD1 4.32Å; Y1408-Y1430 AromaticContact CD2-CE1 3.98Å; Y1408-Y1430 HydrophobicContact CD2-CE1 3.98Å; Y1408-Y1430 HydrophobicContact CE2-CD1 4.21Å; Y1408-Y1430 AromaticContact CE2-CE1 3.72Å; Y1408-Y1430 HydrophobicContact CE2-CE1 3.72Å; Y1426-Y1430 HydrophobicContact CD2-CD2 4.42Å; Y1426-Y1430 AromaticContact CD2-CE2 3.98Å; Y1426-Y1430 HydrophobicContact CD2-CE2 3.98Å; Y1426-Y1430 WeakPolarHBondContact O-CD1 3.13Å; Y1426-Y1430 VanDerWaalsContact O-CG 3.27Å; Y1426-Y1430 PolarHBondContact O-N 3.25Å; Y1430-K1432 VanDerWaalsContact C-N 3.32Å; Y1430-K1432 PolarHBondContact O-N 3.05Å; Y1430-L1433 PolarHBondContact O-N 2.67Å; Y1430-I1434 WeakPolarHBondContact O-CB 3.49Å; Y1430-I1434 WeakPolarHBondContact O-CD1 2.95Å; Y1430-I1434 WeakPolarHBondContact O-CG1 3.39Å; Y1430-I1434 PolarHBondContact O-N 3.19Å; Y1430-Y1514 AromaticContact CD1-CD1 3.42Å; Y1430-Y1514 HydrophobicContact CD1-CD1 3.42Å; Y1430-Y1514 VanDerWaalsContact CD1-CD1 3.42Å; Y1430-Y1514 AromaticContact CD1-CE1 3.81Å; Y1430-Y1514 HydrophobicContact CD1-CE1 3.81Å; Y1430-Y1514 HydrophobicContact CD1-CG 4.39Å; Y1430-Y1514 AromaticContact CE1-CD1 3.65Å; Y1430-Y1514 HydrophobicContact CE1-CD1 3.65Å; Y1430-Y1514 AromaticContact CE1-CE1 3.63Å; Y1430-Y1514 HydrophobicContact CE1-CE1 3.63Å; Y1430-Y1514 AromaticContact CG-CD1 3.98Å; Y1430-Y1514 HydrophobicContact CG-CD1 3.98Å; Y1430-L1518 HydrophobicContact CD2-CD1 4.32Å; Y1430-E1521 WeakPolarHBondContact CE2-OE1 3.39Å; Y1430-E1521 WeakPolarHBondContact CE2-OE2 3.37Å; Y1430-E1521 PolarHBondContact OH-OE1 2.76Å |
| 1431 | R | 85.8 | Confident | 83 | Confident | 155 Ų | 155 | 63.3 Ų | 63.3 | 59% | 0.585 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 177.2 | -175.3 | 177.9 | 179.4 | -172.6 | 0 | 112.9 | R1427 L1428 A1429 | R1427-R1431 VanDerWaalsContact O-CB 3.3Å; R1427-R1431 WeakPolarHBondContact O-CB 3.24Å; R1427-R1431 PolarHBondContact O-N 3.25Å; R1427-R1431 VanDerWaalsContact O-N 3.11Å; L1428-R1431 PolarHBondContact O-N 3.47Å; A1429-R1431 VanDerWaalsContact C-N 3.34Å; A1429-R1431 PolarHBondContact O-N 3.42Å |
| 1432 | K | 83.5 | Confident | 83 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.8 | -48.5 | 172.3 | -79.6 | -168.5 | 169.8 | -167.3 | 0 | 111.4 | F1420 L1428 A1429 Y1430 I1434 R1435 M1436 E1458 | F1420-K1432 HydrophobicContact CD1-CD 3.82Å; F1420-K1432 HydrophobicContact CE1-CB 3.89Å; F1420-K1432 HydrophobicContact CE1-CD 3.41Å; F1420-K1432 VanDerWaalsContact CE1-CD 3.41Å; F1420-K1432 HydrophobicContact CE1-CG 4.29Å; F1420-K1432 HydrophobicContact CZ-CB 3.82Å; F1420-K1432 HydrophobicContact CZ-CD 4.21Å; L1428-K1432 PolarHBondContact O-N 3.32Å; A1429-K1432 PolarHBondContact O-N 3.3Å; Y1430-K1432 VanDerWaalsContact C-N 3.32Å; Y1430-K1432 PolarHBondContact O-N 3.05Å; K1432-I1434 VanDerWaalsContact C-N 3.25Å; K1432-I1434 PolarHBondContact O-N 3.41Å; K1432-R1435 PolarHBondContact O-N 3.17Å; K1432-M1436 HydrophobicContact CB-CE 4.16Å; K1432-M1436 WeakPolarHBondContact O-CG 3.49Å; K1432-M1436 PolarHBondContact O-N 3.1Å; K1432-E1458 HydrophobicContact CG-CG 4.43Å |
| 1433 | L | 85.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.9 | -35.6 | 177.2 | -77.7 | 164.4 | 0 | 0 | 0 | 113.3 | V1407 Y1408 L1411 F1420 A1429 Y1430 M1436 M1438 V1510 Y1514 | V1407-L1433 HydrophobicContact CG1-CD2 4.41Å; Y1408-L1433 HydrophobicContact CD2-CD1 4.33Å; L1411-L1433 HydrophobicContact CD1-CD2 3.73Å; L1411-L1433 HydrophobicContact CD1-CG 4.45Å; F1420-L1433 HydrophobicContact CE2-CD1 4.36Å; F1420-L1433 HydrophobicContact CE2-CG 4.24Å; F1420-L1433 HydrophobicContact CZ-CG 4.32Å; A1429-L1433 WeakPolarHBondContact O-CG 3.36Å; A1429-L1433 PolarHBondContact O-N 3.11Å; Y1430-L1433 PolarHBondContact O-N 2.67Å; L1433-M1436 HydrophobicContact CD2-SD 4.25Å; L1433-M1436 PolarHBondContact O-N 3Å; L1433-M1438 HydrophobicContact CD2-CE 3.88Å; L1433-V1510 HydrophobicContact CD2-CG1 4.17Å; L1433-Y1514 HydrophobicContact CB-CD2 4.22Å; L1433-Y1514 HydrophobicContact CB-CG 4.35Å; L1433-Y1514 HydrophobicContact CD1-CD1 4.33Å; L1433-Y1514 HydrophobicContact CD1-CD2 4.02Å; L1433-Y1514 HydrophobicContact CD1-CE1 4.31Å; L1433-Y1514 HydrophobicContact CD1-CE2 3.99Å; L1433-Y1514 HydrophobicContact CD1-CG 4.19Å |
| 1434 | I | 84.3 | Confident | 83.2 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.6 | -71.2 | 162.6 | 0 | 0 | 0 | 111.9 | Y1430 K1432 N1437 A1515 L1518 | Y1430-I1434 WeakPolarHBondContact O-CB 3.49Å; Y1430-I1434 WeakPolarHBondContact O-CD1 2.95Å; Y1430-I1434 WeakPolarHBondContact O-CG1 3.39Å; Y1430-I1434 PolarHBondContact O-N 3.19Å; K1432-I1434 VanDerWaalsContact C-N 3.25Å; K1432-I1434 PolarHBondContact O-N 3.41Å; I1434-N1437 PolarHBondContact O-N 3.4Å; I1434-A1515 HydrophobicContact CD1-CB 4.1Å; I1434-A1515 HydrophobicContact CG1-CB 4.12Å; I1434-L1518 HydrophobicContact CD1-CB 4.32Å; I1434-L1518 HydrophobicContact CD1-CD2 3.71Å |
| 1435 | R | 81.9 | Confident | 83.6 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.5 | -28.7 | 179.9 | -71.3 | 172.2 | 155.5 | -161.3 | -14.3 | 113.6 | K1432 N1437 E1458 | K1432-R1435 PolarHBondContact O-N 3.17Å; R1435-N1437 PolarHBondContact O-N 2.81Å; R1435-E1458 VanDerWaalsContact CD-CD 3.48Å; R1435-E1458 WeakPolarHBondContact CD-OE1 3.24Å; R1435-E1458 WeakPolarHBondContact CD-OE2 3.41Å; R1435-E1458 IonicContact CZ-OE1 2.7Å; R1435-E1458 IonicContact NE-OE1 3.59Å; R1435-E1458 IonicContact NH1-OE1 3.29Å; R1435-E1458 PolarHBondContact NH1-OE1 2.69Å; R1435-E1458 IonicContact NH1-OE2 3.63Å |
| 1436 | M | 79.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 62 Ų | 62 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -25.1 | 176.7 | -68.9 | 165.7 | -176 | 0 | 0 | 112.8 | F1420 K1432 L1433 M1438 A1454 L1455 E1458 | F1420-M1436 HydrophobicContact CE1-CE 4.22Å; F1420-M1436 HydrophobicContact CZ-CE 4.22Å; K1432-M1436 HydrophobicContact CB-CE 4.16Å; K1432-M1436 WeakPolarHBondContact O-CG 3.49Å; K1432-M1436 PolarHBondContact O-N 3.1Å; L1433-M1436 HydrophobicContact CD2-SD 4.25Å; L1433-M1436 PolarHBondContact O-N 3Å; M1436-M1438 HydrophobicContact CB-CE 3.86Å; M1436-M1438 HydrophobicContact CB-CG 4.27Å; M1436-M1438 HydrophobicContact CB-SD 4.45Å; M1436-M1438 PolarHBondContact O-N 3.32Å; M1436-M1438 HydrophobicContact SD-CE 4.32Å; M1436-A1454 HydrophobicContact CB-CB 3.91Å; M1436-A1454 HydrophobicContact CG-CB 4.3Å; M1436-L1455 HydrophobicContact CE-CD1 3.54Å; M1436-E1458 HydrophobicContact CE-CB 4.14Å; M1436-E1458 HydrophobicContact CE-CG 4.14Å; M1436-E1458 HydrophobicContact CG-CB 4.22Å |
| 1437 | N | 76.3 | Confident | 84.1 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | 42.8 | 32.8 | 172.4 | -160 | 28.3 | 0 | 0 | 0 | 116.7 | I1434 R1435 L1503 T1509 | I1434-N1437 PolarHBondContact O-N 3.4Å; R1435-N1437 PolarHBondContact O-N 2.81Å; N1437-L1503 WeakPolarHBondContact O-CD2 3.32Å; N1437-T1509 WeakPolarHBondContact OD1-CB 3.37Å; N1437-T1509 PolarHBondContact OD1-OG1 3.3Å | ||
| 1438 | M | 85.1 | Confident | 84.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | trans | -61.9 | 137.4 | -175.3 | -59.8 | 161.7 | -76.8 | 0 | 0 | 111.5 | L1433 M1436 V1446 T1451 A1454 T1509 V1510 | L1433-M1438 HydrophobicContact CD2-CE 3.88Å; M1436-M1438 HydrophobicContact CB-CE 3.86Å; M1436-M1438 HydrophobicContact CB-CG 4.27Å; M1436-M1438 HydrophobicContact CB-SD 4.45Å; M1436-M1438 PolarHBondContact O-N 3.32Å; M1436-M1438 HydrophobicContact SD-CE 4.32Å; M1438-V1446 HydrophobicContact CB-CG1 3.91Å; M1438-V1446 HydrophobicContact SD-CG1 4.18Å; M1438-T1451 HydrophobicContact SD-CG2 3.85Å; M1438-A1454 HydrophobicContact CG-CB 3.67Å; M1438-A1454 HydrophobicContact SD-CB 4.27Å; M1438-T1509 CarbonylContact O-C 3.59Å; M1438-T1509 WeakPolarHBondContact O-CA 3.39Å; M1438-T1509 VanDerWaalsContact O-CB 3.24Å; M1438-T1509 WeakPolarHBondContact O-CB 3.29Å; M1438-V1510 HydrophobicContact CB-CB 4.28Å; M1438-V1510 HydrophobicContact CB-CG2 3.95Å; M1438-V1510 HydrophobicContact CE-CB 3.92Å; M1438-V1510 HydrophobicContact CE-CG1 3.72Å; M1438-V1510 HydrophobicContact CE-CG2 4.12Å; M1438-V1510 PolarHBondContact O-N 3.12Å | ||
| 1439 | P | 84.7 | Confident | 84.7 | Confident | 26 Ų | 26 | 51 Ų | 51 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 149.8 | 173.8 | 29.4 | -35.1 | 0 | 0 | 0 | 111 | T1450 P1498 | P1439-T1450 HydrophobicContact CG-CG2 4.22Å; P1439-P1498 HydrophobicContact CG-CG 4.09Å |
| 1440 | V | 84.3 | Confident | 84.9 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | trans | -115 | 131.3 | 176 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | C1445 M1508 V1510 I1513 | V1440-C1445 WeakPolarHBondContact CA-O 3.13Å; V1440-M1508 HydrophobicContact CB-CB 4.49Å; V1440-M1508 PolarHBondContact N-O 2.84Å; V1440-V1510 HydrophobicContact CG2-CB 4.41Å; V1440-V1510 HydrophobicContact CG2-CG2 3.52Å; V1440-I1513 HydrophobicContact CG2-CD1 4.04Å | ||
| 1441 | D | 81.7 | Confident | 85 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | trans | -71.3 | 163.4 | 175.7 | 178.3 | 51.7 | 0 | 0 | 0 | 112 | N1443 G1444 C1445 | D1441-N1443 PolarHBondContact O-N 2.61Å; D1441-N1443 VanDerWaalsContact O-N 3.1Å; D1441-N1443 WeakPolarHBondContact OD2-CB 3.36Å; D1441-N1443 PolarHBondContact OD2-N 3.09Å; D1441-N1443 PolarHBondContact OD2-ND2 3.49Å; D1441-G1444 PolarHBondContact O-N 2.9Å; D1441-C1445 PolarHBondContact N-O 2.81Å | ||
| 1442 | E | 82.1 | Confident | 85.3 | Confident | 196 Ų | 196 | 43 Ų | 43 | 92% | 0.916 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.4 | 178.3 | -62.1 | -171.9 | 172.2 | 0 | 0 | 112.7 | G1444 | E1442-G1444 PolarHBondContact O-N 3.11Š|
| 1443 | N | 81.2 | Confident | 85.5 | Confident | 125 Ų | 125 | 40.2 Ų | 40.2 | 67% | 0.668 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.3 | 176.9 | -62.6 | -78.5 | 0 | 0 | 0 | 114.4 | D1441 C1445 | D1441-N1443 PolarHBondContact O-N 2.61Å; D1441-N1443 VanDerWaalsContact O-N 3.1Å; D1441-N1443 WeakPolarHBondContact OD2-CB 3.36Å; D1441-N1443 PolarHBondContact OD2-N 3.09Å; D1441-N1443 PolarHBondContact OD2-ND2 3.49Å; N1443-C1445 VanDerWaalsContact C-N 3.28Å |
| 1444 | G | 84.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 41 Ų | 41 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 75.3 | 16.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1403 H1404 D1441 E1442 | H1403-G1444 PolarHBondContact CD2-O 3.11Å; H1403-G1444 VanDerWaalsContact CD2-O 3.3Å; H1404-G1444 PolarHBondContact N-O 3.46Å; H1404-G1444 PolarHBondContact ND1-O 2.69Å; D1441-G1444 PolarHBondContact O-N 2.9Å; E1442-G1444 PolarHBondContact O-N 3.11Å |
| 1445 | C | 89.1 | Confident | 85.8 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 159.7 | -177.7 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | L1401 I1402 V1440 D1441 N1443 | L1401-C1445 HydrophobicContact CB-CB 4.19Å; L1401-C1445 HydrophobicContact CD2-CB 4.27Å; I1402-C1445 CarbonylContact O-C 3.48Å; I1402-C1445 WeakPolarHBondContact O-CA 3.41Å; V1440-C1445 WeakPolarHBondContact CA-O 3.13Å; D1441-C1445 PolarHBondContact N-O 2.81Å; N1443-C1445 VanDerWaalsContact C-N 3.28Å |
| 1446 | V | 88.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.1 | 175.9 | -161.6 | 0 | 0 | 0 | 0 | 108.5 | I1402 H1404 V1407 M1438 T1451 V1510 | I1402-V1446 PolarHBondContact N-O 3.31Å; I1402-V1446 VanDerWaalsContact N-O 3.16Å; I1402-V1446 PolarHBondContact O-N 2.94Å; H1404-V1446 HydrophobicContact CB-CG2 4.12Å; V1407-V1446 HydrophobicContact CG2-CG2 4.26Å; M1438-V1446 HydrophobicContact CB-CG1 3.91Å; M1438-V1446 HydrophobicContact SD-CG1 4.18Å; V1446-T1451 VanDerWaalsContact CG1-OG1 3.3Å; V1446-T1451 WeakPolarHBondContact CG1-OG1 3.06Å; V1446-V1510 HydrophobicContact CG1-CG2 4.26Å; V1446-V1510 HydrophobicContact CG2-CG2 3.57Å |
| 1447 | H | 88.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 32.8 Ų | 32.8 | 29% | 0.292 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 146.9 | -178.4 | -172.7 | -104.8 | 0 | 0 | 0 | 112.5 | G1400 L1401 T1449 T1450 T1451 | G1400-H1447 WeakPolarHBondContact O-CA 3.43Å; G1400-H1447 PolarHBondContact O-CD2 3.46Å; L1401-H1447 HydrophobicContact CD2-CB 4.38Å; H1447-T1449 PolarHBondContact CE1-OG1 3.41Å; H1447-T1449 VanDerWaalsContact CE1-OG1 3.31Å; H1447-T1449 PolarHBondContact ND1-N 3.33Å; H1447-T1450 PolarHBondContact O-OG1 3.29Å; H1447-T1451 WeakPolarHBondContact O-CB 3.2Å; H1447-T1451 PolarHBondContact O-N 2.93Å; H1447-T1451 VanDerWaalsContact O-N 3.12Å; H1447-T1451 PolarHBondContact O-OG1 3.16Å |
| 1448 | F | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.4 | -56.9 | 178.4 | 174.9 | -93.3 | 0 | 0 | 0 | 112.5 | A1091 P1093 F1387 V1388 W1391 G1400 T1450 T1451 L1452 | A1091-F1448 HydrophobicContact CB-CE1 3.79Å; A1091-F1448 HydrophobicContact CB-CZ 3.98Å; A1091-F1448 WeakPolarHBondContact O-CE1 3.41Å; P1093-F1448 HydrophobicContact CB-CD2 4.38Å; F1387-F1448 HydrophobicContact CD1-CE2 4.09Å; F1387-F1448 AromaticContact CE1-CD2 3.97Å; F1387-F1448 HydrophobicContact CE1-CD2 3.97Å; F1387-F1448 AromaticContact CE1-CE2 3.71Å; F1387-F1448 HydrophobicContact CE1-CE2 3.71Å; F1387-F1448 HydrophobicContact CE1-CZ 4.31Å; V1388-F1448 HydrophobicContact CG1-CE2 4.38Å; V1388-F1448 HydrophobicContact CG1-CZ 4.33Å; V1388-F1448 HydrophobicContact CG2-CZ 4.1Å; W1391-F1448 HydrophobicContact CB-CE2 4.49Å; W1391-F1448 AromaticContact CD2-CD2 3.58Å; W1391-F1448 HydrophobicContact CD2-CD2 3.58Å; W1391-F1448 HydrophobicContact CD2-CE2 4.29Å; W1391-F1448 AromaticContact CE2-CD2 3.75Å; W1391-F1448 AromaticContact CE3-CD2 3.95Å; W1391-F1448 HydrophobicContact CE3-CD2 3.95Å; W1391-F1448 AromaticContact CG-CD2 3.86Å; W1391-F1448 HydrophobicContact CG-CD2 3.86Å; W1391-F1448 HydrophobicContact CG-CE2 4.19Å; W1391-F1448 HydrophobicContact CH2-CB 4.1Å; W1391-F1448 HydrophobicContact CZ2-CB 3.82Å; W1391-F1448 HydrophobicContact CZ2-CD2 4.28Å; W1391-F1448 HydrophobicContact CZ3-CD2 4.46Å; G1400-F1448 PolarHBondContact O-N 2.91Å; F1448-T1450 PolarHBondContact O-N 3.41Å; F1448-T1451 PolarHBondContact O-N 3.42Å; F1448-L1452 HydrophobicContact CE1-CD2 3.98Å; F1448-L1452 HydrophobicContact CZ-CD2 4.07Å; F1448-L1452 WeakPolarHBondContact O-CB 3.25Å; F1448-L1452 PolarHBondContact O-N 2.92Å |
| 1449 | T | 88.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | -174.2 | -51.6 | 0 | 0 | 0 | 0 | 113.3 | H1447 L1453 L1496 | H1447-T1449 PolarHBondContact CE1-OG1 3.41Å; H1447-T1449 VanDerWaalsContact CE1-OG1 3.31Å; H1447-T1449 PolarHBondContact ND1-N 3.33Å; T1449-L1453 PolarHBondContact O-N 3.35Å; T1449-L1453 VanDerWaalsContact O-N 3.08Å; T1449-L1496 HydrophobicContact CG2-CD2 3.68Å; T1449-L1496 HydrophobicContact CG2-CG 4.47Å |
| 1450 | T | 88.5 | Confident | 86.6 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | P1439 H1447 F1448 A1454 L1495 | P1439-T1450 HydrophobicContact CG-CG2 4.22Å; H1447-T1450 PolarHBondContact O-OG1 3.29Å; F1448-T1450 PolarHBondContact O-N 3.41Å; T1450-A1454 WeakPolarHBondContact O-CB 3.24Å; T1450-A1454 PolarHBondContact O-N 3.37Å; T1450-L1495 HydrophobicContact CG2-CD1 4.35Å; T1450-L1495 WeakPolarHBondContact CG2-O 3.48Å |
| 1451 | T | 90.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | F1387 W1391 V1407 M1438 V1446 H1447 F1448 L1455 | F1387-T1451 HydrophobicContact CE2-CG2 3.92Å; F1387-T1451 HydrophobicContact CZ-CG2 3.79Å; W1391-T1451 HydrophobicContact CZ3-CG2 4.24Å; V1407-T1451 HydrophobicContact CG1-CG2 4.46Å; M1438-T1451 HydrophobicContact SD-CG2 3.85Å; V1446-T1451 VanDerWaalsContact CG1-OG1 3.3Å; V1446-T1451 WeakPolarHBondContact CG1-OG1 3.06Å; H1447-T1451 WeakPolarHBondContact O-CB 3.2Å; H1447-T1451 PolarHBondContact O-N 2.93Å; H1447-T1451 VanDerWaalsContact O-N 3.12Å; H1447-T1451 PolarHBondContact O-OG1 3.16Å; F1448-T1451 PolarHBondContact O-N 3.42Å; T1451-L1455 WeakPolarHBondContact O-CB 3.4Å; T1451-L1455 PolarHBondContact O-N 3.12Å |
| 1452 | L | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | -179.8 | -179.4 | 53.2 | 0 | 0 | 0 | 111.8 | F1087 A1088 A1091 L1384 F1387 F1448 L1455 I1456 | F1087-L1452 HydrophobicContact CD1-CD2 4.16Å; F1087-L1452 HydrophobicContact CE1-CD2 4.15Å; A1088-L1452 HydrophobicContact CB-CD2 4.3Å; A1088-L1452 HydrophobicContact CB-CG 4.13Å; A1091-L1452 HydrophobicContact CB-CD2 3.89Å; L1384-L1452 HydrophobicContact CB-CD1 4.33Å; L1384-L1452 HydrophobicContact CD1-CD1 4.45Å; L1384-L1452 HydrophobicContact CD2-CD1 4.06Å; F1387-L1452 HydrophobicContact CD1-CB 4.44Å; F1387-L1452 HydrophobicContact CD1-CD1 3.85Å; F1387-L1452 HydrophobicContact CE1-CB 3.87Å; F1387-L1452 HydrophobicContact CE1-CD1 4.13Å; F1387-L1452 HydrophobicContact CE1-CG 4.4Å; F1387-L1452 HydrophobicContact CG-CD1 4.17Å; F1387-L1452 HydrophobicContact CZ-CB 4.17Å; F1448-L1452 HydrophobicContact CE1-CD2 3.98Å; F1448-L1452 HydrophobicContact CZ-CD2 4.07Å; F1448-L1452 WeakPolarHBondContact O-CB 3.25Å; F1448-L1452 PolarHBondContact O-N 2.92Å; L1452-L1455 PolarHBondContact O-N 3.35Å; L1452-I1456 HydrophobicContact CD1-CD1 3.88Å; L1452-I1456 HydrophobicContact CD1-CG1 4.43Å; L1452-I1456 HydrophobicContact CG-CD1 3.97Å; L1452-I1456 WeakPolarHBondContact O-CD1 3.28Å; L1452-I1456 VanDerWaalsContact O-CG1 3.26Å; L1452-I1456 WeakPolarHBondContact O-CG1 3.18Å; L1452-I1456 PolarHBondContact O-N 3.4Å |
| 1453 | L | 88.9 | Confident | 86 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -36.7 | -179.9 | -176 | 56 | 0 | 0 | 0 | 112.7 | I1085 A1088 T1449 L1455 I1456 R1457 L1496 V1497 | I1085-L1453 HydrophobicContact CG1-CD1 4.11Å; A1088-L1453 HydrophobicContact CB-CB 4.23Å; A1088-L1453 HydrophobicContact CB-CD1 4.36Å; T1449-L1453 PolarHBondContact O-N 3.35Å; T1449-L1453 VanDerWaalsContact O-N 3.08Å; L1453-L1455 VanDerWaalsContact C-N 3.32Å; L1453-L1455 PolarHBondContact O-N 3.26Å; L1453-I1456 PolarHBondContact O-N 2.8Å; L1453-R1457 WeakPolarHBondContact O-CB 3.29Å; L1453-R1457 PolarHBondContact O-N 3.45Å; L1453-L1496 HydrophobicContact CD2-CB 3.64Å; L1453-L1496 HydrophobicContact CD2-CD2 3.75Å; L1453-L1496 HydrophobicContact CD2-CG 4.3Å; L1453-L1496 WeakPolarHBondContact CD2-O 3.49Å; L1453-V1497 HydrophobicContact CD2-CG2 4.34Å |
| 1454 | A | 87.4 | Confident | 85.7 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1436 M1438 T1450 R1457 E1458 | M1436-A1454 HydrophobicContact CB-CB 3.91Å; M1436-A1454 HydrophobicContact CG-CB 4.3Å; M1438-A1454 HydrophobicContact CG-CB 3.67Å; M1438-A1454 HydrophobicContact SD-CB 4.27Å; T1450-A1454 WeakPolarHBondContact O-CB 3.24Å; T1450-A1454 PolarHBondContact O-N 3.37Å; A1454-R1457 PolarHBondContact O-N 2.78Å; A1454-E1458 PolarHBondContact O-N 2.83Å; A1454-E1458 VanDerWaalsContact O-N 3.15Å |
| 1455 | L | 88.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.5 | -176.1 | 61.2 | 0 | 0 | 0 | 111.9 | F1387 L1411 V1418 M1436 T1451 L1452 L1453 R1457 S1459 | F1387-L1455 HydrophobicContact CD2-CD2 3.77Å; F1387-L1455 HydrophobicContact CE2-CD2 4.08Å; L1411-L1455 HydrophobicContact CD2-CD1 3.92Å; L1411-L1455 HydrophobicContact CD2-CD2 4.03Å; V1418-L1455 HydrophobicContact CG1-CD2 4.11Å; M1436-L1455 HydrophobicContact CE-CD1 3.54Å; T1451-L1455 WeakPolarHBondContact O-CB 3.4Å; T1451-L1455 PolarHBondContact O-N 3.12Å; L1452-L1455 PolarHBondContact O-N 3.35Å; L1453-L1455 VanDerWaalsContact C-N 3.32Å; L1453-L1455 PolarHBondContact O-N 3.26Å; L1455-R1457 VanDerWaalsContact C-N 3.33Å; L1455-R1457 PolarHBondContact O-N 3.02Å; L1455-S1459 WeakPolarHBondContact O-CB 3.25Å; L1455-S1459 PolarHBondContact O-N 3.31Å; L1455-S1459 PolarHBondContact O-OG 2.87Å |
| 1456 | I | 88.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.9 | -69 | 161.5 | 0 | 0 | 0 | 111.2 | C1084 A1088 L1384 L1452 L1453 S1459 L1460 I1462 | C1084-I1456 HydrophobicContact CB-CD1 4.36Å; C1084-I1456 HydrophobicContact CB-CG2 3.63Å; C1084-I1456 WeakPolarHBondContact O-CD1 3.49Å; A1088-I1456 HydrophobicContact CB-CD1 3.84Å; L1384-I1456 HydrophobicContact CD1-CD1 3.61Å; L1384-I1456 HydrophobicContact CD1-CG1 4.09Å; L1384-I1456 HydrophobicContact CD2-CD1 4.15Å; L1384-I1456 HydrophobicContact CD2-CG1 3.85Å; L1452-I1456 HydrophobicContact CD1-CD1 3.88Å; L1452-I1456 HydrophobicContact CD1-CG1 4.43Å; L1452-I1456 HydrophobicContact CG-CD1 3.97Å; L1452-I1456 WeakPolarHBondContact O-CD1 3.28Å; L1452-I1456 VanDerWaalsContact O-CG1 3.26Å; L1452-I1456 WeakPolarHBondContact O-CG1 3.18Å; L1452-I1456 PolarHBondContact O-N 3.4Å; L1453-I1456 PolarHBondContact O-N 2.8Å; I1456-S1459 WeakPolarHBondContact CA-OG 3.49Å; I1456-S1459 PolarHBondContact O-N 2.93Å; I1456-S1459 PolarHBondContact O-OG 2.84Å; I1456-L1460 HydrophobicContact CG2-CD1 4.2Å; I1456-L1460 WeakPolarHBondContact O-CB 3.29Å; I1456-L1460 PolarHBondContact O-N 3.35Å; I1456-I1462 HydrophobicContact CG2-CD1 3.85Å |
| 1457 | R | 87.5 | Confident | 83.4 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -45.9 | -178.3 | -169.2 | 174.6 | -177.7 | -160.6 | -2.4 | 113 | L1453 A1454 L1455 S1459 G1461 I1462 K1463 T1464 D1474 | L1453-R1457 WeakPolarHBondContact O-CB 3.29Å; L1453-R1457 PolarHBondContact O-N 3.45Å; A1454-R1457 PolarHBondContact O-N 2.78Å; L1455-R1457 VanDerWaalsContact C-N 3.33Å; L1455-R1457 PolarHBondContact O-N 3.02Å; R1457-S1459 VanDerWaalsContact C-N 3.34Å; R1457-G1461 VanDerWaalsContact O-CA 3.32Å; R1457-G1461 WeakPolarHBondContact O-CA 3.3Å; R1457-G1461 PolarHBondContact O-N 2.9Å; R1457-I1462 HydrophobicContact CG-CB 4.39Å; R1457-I1462 WeakPolarHBondContact CG-O 3.01Å; R1457-I1462 PolarHBondContact NE-O 3.44Å; R1457-I1462 VanDerWaalsContact NE-O 3.08Å; R1457-I1462 PolarHBondContact O-N 3.18Å; R1457-K1463 PolarHBondContact NH2-O 3.12Å; R1457-T1464 HydrophobicContact CG-CG2 3.92Å; R1457-D1474 IonicContact CZ-OD1 3.73Å; R1457-D1474 IonicContact CZ-OD2 2.87Å; R1457-D1474 IonicContact NH1-OD1 3.82Å; R1457-D1474 PolarHBondContact NH1-OD1 3.36Å; R1457-D1474 IonicContact NH1-OD2 3.55Å; R1457-D1474 PolarHBondContact NH1-OD2 3Å; R1457-D1474 IonicContact NH2-OD1 2.8Å; R1457-D1474 PolarHBondContact NH2-OD1 3.13Å; R1457-D1474 IonicContact NH2-OD2 3.38Å |
| 1458 | E | 84.3 | Confident | 82.7 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.2 | -24.8 | 177.9 | 173.7 | 62.4 | -176.9 | 0 | 0 | 112.9 | K1432 R1435 M1436 A1454 | K1432-E1458 HydrophobicContact CG-CG 4.43Å; R1435-E1458 VanDerWaalsContact CD-CD 3.48Å; R1435-E1458 WeakPolarHBondContact CD-OE1 3.24Å; R1435-E1458 WeakPolarHBondContact CD-OE2 3.41Å; R1435-E1458 IonicContact CZ-OE1 2.7Å; R1435-E1458 IonicContact NE-OE1 3.59Å; R1435-E1458 IonicContact NH1-OE1 3.29Å; R1435-E1458 PolarHBondContact NH1-OE1 2.69Å; R1435-E1458 IonicContact NH1-OE2 3.63Å; M1436-E1458 HydrophobicContact CE-CB 4.14Å; M1436-E1458 HydrophobicContact CE-CG 4.14Å; M1436-E1458 HydrophobicContact CG-CB 4.22Å; A1454-E1458 PolarHBondContact O-N 2.83Å; A1454-E1458 VanDerWaalsContact O-N 3.15Å |
| 1459 | S | 83.1 | Confident | 82.2 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -86.1 | -37.2 | 179.7 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | L1379 L1455 I1456 R1457 | L1379-S1459 WeakPolarHBondContact CD2-OG 3.47Å; L1455-S1459 WeakPolarHBondContact O-CB 3.25Å; L1455-S1459 PolarHBondContact O-N 3.31Å; L1455-S1459 PolarHBondContact O-OG 2.87Å; I1456-S1459 WeakPolarHBondContact CA-OG 3.49Å; I1456-S1459 PolarHBondContact O-N 2.93Å; I1456-S1459 PolarHBondContact O-OG 2.84Å; R1457-S1459 VanDerWaalsContact C-N 3.34Å |
| 1460 | L | 80.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -98.6 | -5.9 | 177.6 | -67.1 | -179.4 | 0 | 0 | 0 | 114.4 | C1084 L1379 I1456 I1462 | C1084-L1460 HydrophobicContact CB-CD1 4.09Å; L1379-L1460 HydrophobicContact CB-CD2 4.17Å; I1456-L1460 HydrophobicContact CG2-CD1 4.2Å; I1456-L1460 WeakPolarHBondContact O-CB 3.29Å; I1456-L1460 PolarHBondContact O-N 3.35Å; L1460-I1462 VanDerWaalsContact C-N 3.32Å; L1460-I1462 HydrophobicContact CB-CD1 4.21Å; L1460-I1462 HydrophobicContact CB-CG1 3.76Å; L1460-I1462 HydrophobicContact CD1-CD1 4.32Å; L1460-I1462 PolarHBondContact O-N 3.15Å |
| 1461 | G | 80.3 | Confident | 81 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 25.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1457 K1463 T1464 | R1457-G1461 VanDerWaalsContact O-CA 3.32Å; R1457-G1461 WeakPolarHBondContact O-CA 3.3Å; R1457-G1461 PolarHBondContact O-N 2.9Å; G1461-K1463 PolarHBondContact O-N 3.41Å; G1461-T1464 WeakPolarHBondContact CA-OG1 3.44Å; G1461-T1464 PolarHBondContact O-N 3.04Å; G1461-T1464 PolarHBondContact O-OG1 2.99Å; G1461-T1464 VanDerWaalsContact O-OG1 3.12Å |
| 1462 | I | 79.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 109.7 | -170.9 | -48.1 | -176.7 | 0 | 0 | 0 | 110.4 | L1077 Q1081 I1085 I1456 R1457 L1460 T1464 L1477 | L1077-I1462 HydrophobicContact CD2-CG2 3.62Å; Q1081-I1462 HydrophobicContact CB-CD1 3.93Å; Q1081-I1462 HydrophobicContact CB-CG1 4.33Å; Q1081-I1462 HydrophobicContact CG-CD1 4.03Å; Q1081-I1462 HydrophobicContact CG-CG1 3.95Å; I1085-I1462 HydrophobicContact CD1-CD1 4.21Å; I1085-I1462 HydrophobicContact CD1-CG2 4.4Å; I1085-I1462 HydrophobicContact CG1-CD1 4.26Å; I1456-I1462 HydrophobicContact CG2-CD1 3.85Å; R1457-I1462 HydrophobicContact CG-CB 4.39Å; R1457-I1462 WeakPolarHBondContact CG-O 3.01Å; R1457-I1462 PolarHBondContact NE-O 3.44Å; R1457-I1462 VanDerWaalsContact NE-O 3.08Å; R1457-I1462 PolarHBondContact O-N 3.18Å; L1460-I1462 VanDerWaalsContact C-N 3.32Å; L1460-I1462 HydrophobicContact CB-CD1 4.21Å; L1460-I1462 HydrophobicContact CB-CG1 3.76Å; L1460-I1462 HydrophobicContact CD1-CD1 4.32Å; L1460-I1462 PolarHBondContact O-N 3.15Å; I1462-T1464 PolarHBondContact O-N 3.44Å; I1462-T1464 VanDerWaalsContact O-N 3.13Å; I1462-L1477 HydrophobicContact CG2-CD1 4.11Å |
| 1463 | K | 75.5 | Confident | 80.3 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 39.3 | 49.6 | -170.9 | -56.7 | -163.5 | -176.6 | -172.8 | 0 | 111.2 | D1076 R1457 G1461 R1473 E1476 L1477 T1480 | D1076-K1463 IonicContact OD2-NZ 2.73Å; R1457-K1463 PolarHBondContact NH2-O 3.12Å; G1461-K1463 PolarHBondContact O-N 3.41Å; K1463-R1473 HydrophobicContact CB-CB 4.1Å; K1463-R1473 WeakPolarHBondContact O-CB 3.39Å; K1463-E1476 HydrophobicContact CD-CB 3.79Å; K1463-E1476 PolarHBondContact NZ-O 2.92Å; K1463-L1477 HydrophobicContact CD-CB 4.2Å; K1463-T1480 PolarHBondContact NZ-OG1 2.56Å |
| 1464 | T | 75.5 | Confident | 79.9 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | trans | -93.5 | 138.1 | 171.1 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | R1457 G1461 I1462 | R1457-T1464 HydrophobicContact CG-CG2 3.92Å; G1461-T1464 WeakPolarHBondContact CA-OG1 3.44Å; G1461-T1464 PolarHBondContact O-N 3.04Å; G1461-T1464 PolarHBondContact O-OG1 2.99Å; G1461-T1464 VanDerWaalsContact O-OG1 3.12Å; I1462-T1464 PolarHBondContact O-N 3.44Å; I1462-T1464 VanDerWaalsContact O-N 3.13Å | ||
| 1465 | G | 72.9 | Confident | 79.7 | Confident | 30 Ų | 30 | 58 Ų | 58 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | trans | -132.3 | -174.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1470 | G1465-M1470 PolarHBondContact N-SD 2.73Š| ||
| 1466 | P | 72.5 | Confident | 79.4 | Confident | 80 Ų | 80 | 60 Ų | 60 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | trans | -56 | 150.1 | 155.5 | -16.4 | 31.1 | 0 | 0 | 0 | 109.6 | E1468 I1469 M1470 | P1466-E1468 PolarHBondContact O-N 2.68Å; P1466-I1469 HydrophobicContact CG-CD1 4.4Å; P1466-I1469 PolarHBondContact O-N 3.27Å; P1466-M1470 PolarHBondContact O-N 2.83Å | ||
| 1467 | T | 68.8 | Low | 79.2 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 76% | 0.755 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55.3 | -29.2 | -178 | 43.1 | 0 | 0 | 0 | 0 | 113.6 | I1469 M1470 | T1467-I1469 PolarHBondContact O-N 3.49Å; T1467-M1470 PolarHBondContact O-N 2.9Å |
| 1468 | E | 74.7 | Confident | 79 | Confident | 182 Ų | 182 | 59.9 Ų | 59.9 | 85% | 0.85 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.9 | -14.2 | 177.9 | -64.9 | 161.8 | -163.8 | 0 | 0 | 114.6 | P1466 | P1466-E1468 PolarHBondContact O-N 2.68Š|
| 1469 | I | 80 | Confident | 78.9 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -124.5 | -0.3 | -176.2 | -38.8 | 179.7 | 0 | 0 | 0 | 111 | P1466 T1467 D1471 Q1472 R1473 | P1466-I1469 HydrophobicContact CG-CD1 4.4Å; P1466-I1469 PolarHBondContact O-N 3.27Å; T1467-I1469 PolarHBondContact O-N 3.49Å; I1469-D1471 PolarHBondContact O-N 2.73Å; I1469-Q1472 HydrophobicContact CG2-CB 4.22Å; I1469-Q1472 PolarHBondContact O-N 2.71Å; I1469-R1473 WeakPolarHBondContact O-CG 3.36Å; I1469-R1473 PolarHBondContact O-N 2.83Å; I1469-R1473 VanDerWaalsContact O-N 3.08Å |
| 1470 | M | 74.9 | Confident | 78.8 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | -175.3 | -78.6 | -64.9 | -61.3 | 0 | 0 | 112.1 | G1465 P1466 T1467 Q1472 R1473 D1474 | G1465-M1470 PolarHBondContact N-SD 2.73Å; P1466-M1470 PolarHBondContact O-N 2.83Å; T1467-M1470 PolarHBondContact O-N 2.9Å; M1470-Q1472 VanDerWaalsContact C-N 3.31Å; M1470-Q1472 PolarHBondContact O-N 2.78Å; M1470-R1473 CarbonylContact O-C 3.59Å; M1470-R1473 WeakPolarHBondContact O-CA 3.44Å; M1470-R1473 VanDerWaalsContact O-CB 3.32Å; M1470-R1473 WeakPolarHBondContact O-CB 3.16Å; M1470-R1473 PolarHBondContact O-N 2.93Å; M1470-D1474 PolarHBondContact O-N 3.35Å |
| 1471 | D | 77.2 | Confident | 78.8 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | -176.7 | -47.8 | -16.3 | 0 | 0 | 0 | 111.7 | I1469 R1473 D1474 M1475 | I1469-D1471 PolarHBondContact O-N 2.73Å; D1471-R1473 VanDerWaalsContact C-N 3.35Å; D1471-R1473 PolarHBondContact O-N 2.98Å; D1471-D1474 PolarHBondContact O-N 3.36Å; D1471-M1475 PolarHBondContact O-N 3.48Å |
| 1472 | Q | 83.4 | Confident | 78.9 | Confident | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 170.7 | -176.4 | -171.8 | -35.4 | 0 | 0 | 111.3 | I1469 M1470 D1474 M1475 E1476 | I1469-Q1472 HydrophobicContact CG2-CB 4.22Å; I1469-Q1472 PolarHBondContact O-N 2.71Å; M1470-Q1472 VanDerWaalsContact C-N 3.31Å; M1470-Q1472 PolarHBondContact O-N 2.78Å; Q1472-D1474 VanDerWaalsContact C-N 3.31Å; Q1472-D1474 PolarHBondContact O-N 3.49Å; Q1472-M1475 PolarHBondContact O-N 2.94Å; Q1472-E1476 PolarHBondContact NE2-OE1 2.74Å; Q1472-E1476 WeakPolarHBondContact O-CB 3.39Å; Q1472-E1476 WeakPolarHBondContact O-CG 3.17Å; Q1472-E1476 PolarHBondContact O-N 2.83Å |
| 1473 | R | 81.7 | Confident | 78.8 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -31.5 | 177.5 | -64.4 | -46.5 | -163.5 | 144.4 | 7.8 | 113.4 | K1463 I1469 M1470 D1471 E1476 L1477 | K1463-R1473 HydrophobicContact CB-CB 4.1Å; K1463-R1473 WeakPolarHBondContact O-CB 3.39Å; I1469-R1473 WeakPolarHBondContact O-CG 3.36Å; I1469-R1473 PolarHBondContact O-N 2.83Å; I1469-R1473 VanDerWaalsContact O-N 3.08Å; M1470-R1473 CarbonylContact O-C 3.59Å; M1470-R1473 WeakPolarHBondContact O-CA 3.44Å; M1470-R1473 VanDerWaalsContact O-CB 3.32Å; M1470-R1473 WeakPolarHBondContact O-CB 3.16Å; M1470-R1473 PolarHBondContact O-N 2.93Å; D1471-R1473 VanDerWaalsContact C-N 3.35Å; D1471-R1473 PolarHBondContact O-N 2.98Å; R1473-E1476 WeakPolarHBondContact CD-OE2 3.49Å; R1473-E1476 IonicContact CZ-OE2 3.36Å; R1473-E1476 IonicContact NE-OE2 2.72Å; R1473-E1476 IonicContact NH1-OE1 3.27Å; R1473-E1476 IonicContact NH1-OE2 2.76Å; R1473-E1476 PolarHBondContact NH1-OE2 2.72Å; R1473-L1477 VanDerWaalsContact O-CB 3.23Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.95Å |
| 1474 | D | 82 | Confident | 78.7 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 174.7 | -79.4 | 58.2 | 0 | 0 | 0 | 110.9 | R1457 M1470 D1471 Q1472 L1477 K1478 V1497 | R1457-D1474 IonicContact CZ-OD1 3.73Å; R1457-D1474 IonicContact CZ-OD2 2.87Å; R1457-D1474 IonicContact NH1-OD1 3.82Å; R1457-D1474 PolarHBondContact NH1-OD1 3.36Å; R1457-D1474 IonicContact NH1-OD2 3.55Å; R1457-D1474 PolarHBondContact NH1-OD2 3Å; R1457-D1474 IonicContact NH2-OD1 2.8Å; R1457-D1474 PolarHBondContact NH2-OD1 3.13Å; R1457-D1474 IonicContact NH2-OD2 3.38Å; M1470-D1474 PolarHBondContact O-N 3.35Å; D1471-D1474 PolarHBondContact O-N 3.36Å; Q1472-D1474 VanDerWaalsContact C-N 3.31Å; Q1472-D1474 PolarHBondContact O-N 3.49Å; D1474-L1477 PolarHBondContact O-N 3.26Å; D1474-K1478 WeakPolarHBondContact O-CB 3.39Å; D1474-K1478 WeakPolarHBondContact O-CD 3.38Å; D1474-K1478 WeakPolarHBondContact O-CG 3.46Å; D1474-K1478 PolarHBondContact O-N 3Å; D1474-V1497 HydrophobicContact CB-CG1 4.18Å; D1474-V1497 VanDerWaalsContact OD2-CG1 3.3Å; D1474-V1497 WeakPolarHBondContact OD2-CG1 3.24Å |
| 1475 | M | 82.2 | Confident | 79 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 169.1 | -68.9 | -172.4 | -71.2 | 0 | 0 | 112.1 | D1471 Q1472 L1477 K1478 E1479 | D1471-M1475 PolarHBondContact O-N 3.48Å; Q1472-M1475 PolarHBondContact O-N 2.94Å; M1475-L1477 PolarHBondContact O-N 2.95Å; M1475-K1478 PolarHBondContact O-N 3.1Å; M1475-E1479 PolarHBondContact O-N 3.24Å |
| 1476 | E | 83.1 | Confident | 79.1 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.3 | -35.1 | 173.8 | -74.7 | 172.7 | -159.7 | 0 | 0 | 112.1 | K1463 Q1472 R1473 T1480 | K1463-E1476 HydrophobicContact CD-CB 3.79Å; K1463-E1476 PolarHBondContact NZ-O 2.92Å; Q1472-E1476 PolarHBondContact NE2-OE1 2.74Å; Q1472-E1476 WeakPolarHBondContact O-CB 3.39Å; Q1472-E1476 WeakPolarHBondContact O-CG 3.17Å; Q1472-E1476 PolarHBondContact O-N 2.83Å; R1473-E1476 WeakPolarHBondContact CD-OE2 3.49Å; R1473-E1476 IonicContact CZ-OE2 3.36Å; R1473-E1476 IonicContact NE-OE2 2.72Å; R1473-E1476 IonicContact NH1-OE1 3.27Å; R1473-E1476 IonicContact NH1-OE2 2.76Å; R1473-E1476 PolarHBondContact NH1-OE2 2.72Å; E1476-T1480 PolarHBondContact O-N 3.12Å; E1476-T1480 PolarHBondContact O-OG1 3.31Å; E1476-T1480 VanDerWaalsContact O-OG1 3.06Å |
| 1477 | L | 83.2 | Confident | 78.9 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75.5 | -43.3 | 177.7 | -177.4 | 59.5 | 0 | 0 | 0 | 111.3 | I1462 K1463 R1473 D1474 M1475 E1479 T1480 I1481 V1497 | I1462-L1477 HydrophobicContact CG2-CD1 4.11Å; K1463-L1477 HydrophobicContact CD-CB 4.2Å; R1473-L1477 VanDerWaalsContact O-CB 3.23Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.95Å; D1474-L1477 PolarHBondContact O-N 3.26Å; M1475-L1477 PolarHBondContact O-N 2.95Å; L1477-E1479 VanDerWaalsContact C-N 3.3Å; L1477-E1479 PolarHBondContact O-N 3.48Å; L1477-T1480 PolarHBondContact O-N 3.14Å; L1477-I1481 HydrophobicContact CD1-CD1 4.06Å; L1477-I1481 HydrophobicContact CD1-CG1 4.3Å; L1477-I1481 HydrophobicContact CG-CD1 3.9Å; L1477-I1481 WeakPolarHBondContact O-CB 3.48Å; L1477-I1481 VanDerWaalsContact O-CG1 3.31Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.46Å; L1477-I1481 PolarHBondContact O-N 3.37Å; L1477-V1497 HydrophobicContact CD2-CG2 4.02Å; L1477-V1497 HydrophobicContact CG-CG2 4.37Å |
| 1478 | K | 84.3 | Confident | 78.8 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 174.6 | -77.3 | 160.2 | 175.6 | 145.3 | 0 | 111.2 | D1474 M1475 C1482 L1493 V1497 P1498 D1500 | D1474-K1478 WeakPolarHBondContact O-CB 3.39Å; D1474-K1478 WeakPolarHBondContact O-CD 3.38Å; D1474-K1478 WeakPolarHBondContact O-CG 3.46Å; D1474-K1478 PolarHBondContact O-N 3Å; M1475-K1478 PolarHBondContact O-N 3.1Å; K1478-C1482 WeakPolarHBondContact O-CB 3.49Å; K1478-C1482 PolarHBondContact O-N 3Å; K1478-C1482 PolarHBondContact O-SG 3.14Å; K1478-L1493 HydrophobicContact CB-CD1 4.18Å; K1478-L1493 HydrophobicContact CB-CD2 4.2Å; K1478-L1493 HydrophobicContact CB-CG 4.43Å; K1478-L1493 HydrophobicContact CG-CD1 4.13Å; K1478-L1493 HydrophobicContact CG-CD2 4.22Å; K1478-L1493 HydrophobicContact CG-CG 4.11Å; K1478-V1497 HydrophobicContact CD-CG1 4.31Å; K1478-V1497 WeakPolarHBondContact CE-O 3.5Å; K1478-V1497 HydrophobicContact CG-CB 4.09Å; K1478-V1497 HydrophobicContact CG-CG1 4.14Å; K1478-P1498 WeakPolarHBondContact CE-O 3.5Å; K1478-P1498 PolarHBondContact NZ-O 3Å; K1478-D1500 IonicContact NZ-OD1 3.89Å; K1478-D1500 PolarHBondContact NZ-OD1 3.46Å |
| 1479 | E | 82 | Confident | 78.2 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -53.5 | 173.3 | -85.7 | -165.8 | -144.1 | 0 | 0 | 113 | M1475 L1477 I1481 C1482 K1483 | M1475-E1479 PolarHBondContact O-N 3.24Å; L1477-E1479 VanDerWaalsContact C-N 3.3Å; L1477-E1479 PolarHBondContact O-N 3.48Å; E1479-I1481 VanDerWaalsContact C-N 3.28Å; E1479-I1481 PolarHBondContact O-N 3.27Å; E1479-C1482 PolarHBondContact O-N 3.31Å; E1479-C1482 VanDerWaalsContact O-N 3.08Å; E1479-K1483 WeakPolarHBondContact O-CG 3.27Å; E1479-K1483 PolarHBondContact O-N 3.43Å; E1479-K1483 IonicContact OE2-NZ 2.59Å; E1479-K1483 PolarHBondContact OE2-NZ 2.94Å |
| 1480 | T | 80.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -35 | -178.3 | -48.6 | 0 | 0 | 0 | 0 | 111.3 | D1076 L1077 K1463 E1476 L1477 K1483 L1484 | D1076-T1480 HydrophobicContact CB-CG2 3.93Å; D1076-T1480 PolarHBondContact OD2-OG1 3.33Å; D1076-T1480 VanDerWaalsContact OD2-OG1 3.04Å; L1077-T1480 HydrophobicContact CD1-CG2 3.66Å; L1077-T1480 HydrophobicContact CG-CG2 3.99Å; K1463-T1480 PolarHBondContact NZ-OG1 2.56Å; E1476-T1480 PolarHBondContact O-N 3.12Å; E1476-T1480 PolarHBondContact O-OG1 3.31Å; E1476-T1480 VanDerWaalsContact O-OG1 3.06Å; L1477-T1480 PolarHBondContact O-N 3.14Å; T1480-K1483 PolarHBondContact O-N 2.56Å; T1480-L1484 HydrophobicContact CG2-CD1 3.97Å; T1480-L1484 WeakPolarHBondContact O-CB 3.37Å; T1480-L1484 WeakPolarHBondContact O-CG 3.32Å; T1480-L1484 PolarHBondContact O-N 3.05Å |
| 1481 | I | 81.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.2 | -70 | 170.4 | 0 | 0 | 0 | 111.4 | L1477 E1479 L1484 W1485 L1493 V1497 | L1477-I1481 HydrophobicContact CD1-CD1 4.06Å; L1477-I1481 HydrophobicContact CD1-CG1 4.3Å; L1477-I1481 HydrophobicContact CG-CD1 3.9Å; L1477-I1481 WeakPolarHBondContact O-CB 3.48Å; L1477-I1481 VanDerWaalsContact O-CG1 3.31Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.46Å; L1477-I1481 PolarHBondContact O-N 3.37Å; E1479-I1481 VanDerWaalsContact C-N 3.28Å; E1479-I1481 PolarHBondContact O-N 3.27Å; I1481-L1484 PolarHBondContact O-N 2.99Å; I1481-W1485 HydrophobicContact CB-CE3 4.44Å; I1481-W1485 HydrophobicContact CG1-CZ3 4.3Å; I1481-W1485 HydrophobicContact CG2-CE3 4.13Å; I1481-W1485 PolarHBondContact O-N 2.8Å; I1481-L1493 HydrophobicContact CB-CD1 4.14Å; I1481-L1493 HydrophobicContact CG2-CD1 3.78Å; I1481-V1497 HydrophobicContact CD1-CG2 4.12Å |
| 1482 | C | 80.8 | Confident | 77.2 | Confident | 38 Ų | 38 | 68 Ų | 68 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.3 | -31.2 | 176.6 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | K1478 E1479 P1486 | K1478-C1482 WeakPolarHBondContact O-CB 3.49Å; K1478-C1482 PolarHBondContact O-N 3Å; K1478-C1482 PolarHBondContact O-SG 3.14Å; E1479-C1482 PolarHBondContact O-N 3.31Å; E1479-C1482 VanDerWaalsContact O-N 3.08Å; C1482-P1486 WeakPolarHBondContact O-CA 3.33Å |
| 1483 | K | 77.7 | Confident | 77 | Confident | 131 Ų | 131 | 64 Ų | 64 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.6 | -44.9 | 172.5 | -68.3 | 167.2 | -169.7 | 165 | 0 | 111 | E1479 T1480 | E1479-K1483 WeakPolarHBondContact O-CG 3.27Å; E1479-K1483 PolarHBondContact O-N 3.43Å; E1479-K1483 IonicContact OE2-NZ 2.59Å; E1479-K1483 PolarHBondContact OE2-NZ 2.94Å; T1480-K1483 PolarHBondContact O-N 2.56Å |
| 1484 | L | 74.5 | Confident | 76.8 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.7 | -43.7 | -179.8 | -84.1 | 164 | 0 | 0 | 0 | 114.4 | L1075 L1077 K1082 T1480 I1481 P1486 | L1075-L1484 HydrophobicContact CD1-CD2 3.89Å; L1075-L1484 HydrophobicContact CD2-CD2 3.51Å; L1075-L1484 HydrophobicContact CD2-CG 4.1Å; L1075-L1484 HydrophobicContact CG-CD2 4.29Å; L1077-L1484 HydrophobicContact CD1-CD1 3.76Å; K1082-L1484 HydrophobicContact CD-CD2 4Å; K1082-L1484 HydrophobicContact CG-CD2 4.5Å; T1480-L1484 HydrophobicContact CG2-CD1 3.97Å; T1480-L1484 WeakPolarHBondContact O-CB 3.37Å; T1480-L1484 WeakPolarHBondContact O-CG 3.32Å; T1480-L1484 PolarHBondContact O-N 3.05Å; I1481-L1484 PolarHBondContact O-N 2.99Å; L1484-P1486 WeakPolarHBondContact O-CD 3.39Å |
| 1485 | W | 81.5 | Confident | 76.7 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | trans | -125.1 | 69.9 | -175.6 | -63.5 | -91.3 | 0 | 0 | 0 | 110.7 | K1082 I1085 D1086 I1089 I1481 V1487 H1488 G1489 | K1082-W1485 HydrophobicContact CG-CH2 4.18Å; K1082-W1485 HydrophobicContact CG-CZ2 4.29Å; I1085-W1485 HydrophobicContact CB-CH2 3.93Å; I1085-W1485 HydrophobicContact CB-CZ3 4.45Å; I1085-W1485 HydrophobicContact CG2-CH2 3.52Å; I1085-W1485 HydrophobicContact CG2-CZ2 4.28Å; I1085-W1485 HydrophobicContact CG2-CZ3 3.65Å; D1086-W1485 HydrophobicContact CB-CZ2 3.92Å; D1086-W1485 PolarHBondContact OD1-NE1 3Å; I1089-W1485 HydrophobicContact CD1-CD2 3.82Å; I1089-W1485 HydrophobicContact CD1-CE3 4.09Å; I1089-W1485 HydrophobicContact CD1-CG 4.21Å; I1089-W1485 HydrophobicContact CD1-CH2 4.49Å; I1089-W1485 HydrophobicContact CD1-CZ2 4.21Å; I1089-W1485 HydrophobicContact CD1-CZ3 4.43Å; I1481-W1485 HydrophobicContact CB-CE3 4.44Å; I1481-W1485 HydrophobicContact CG1-CZ3 4.3Å; I1481-W1485 HydrophobicContact CG2-CE3 4.13Å; I1481-W1485 PolarHBondContact O-N 2.8Å; W1485-V1487 PolarHBondContact O-N 3.29Å; W1485-H1488 HydrophobicContact CB-CB 4.49Å; W1485-G1489 WeakPolarHBondContact O-CA 3.38Å; W1485-G1489 PolarHBondContact O-N 3.25Å | ||
| 1486 | P | 73.4 | Confident | 76.6 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | -171.4 | 22.2 | -34.1 | 0 | 0 | 0 | 114.9 | C1482 L1484 K1490 | C1482-P1486 WeakPolarHBondContact O-CA 3.33Å; L1484-P1486 WeakPolarHBondContact O-CD 3.39Å; P1486-K1490 WeakPolarHBondContact O-CD 3.48Å; P1486-K1490 WeakPolarHBondContact O-CG 3.33Å |
| 1487 | V | 68.9 | Low | 76.4 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -53.5 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | W1485 | W1485-V1487 PolarHBondContact O-N 3.29Š|
| 1488 | H | 66.1 | Low | 76.1 | Confident | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.4 | -39.5 | -177.2 | -65.5 | 111.5 | 0 | 0 | 0 | 112.4 | W1485 K1491 M1492 | W1485-H1488 HydrophobicContact CB-CB 4.49Å; H1488-K1491 PolarHBondContact O-N 3.03Å; H1488-M1492 PolarHBondContact O-N 3.42Å; H1488-M1492 VanDerWaalsContact O-N 3.07Å |
| 1489 | G | 63.7 | Low | 75.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -52.3 | -60.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W1485 K1491 M1492 L1493 | W1485-G1489 WeakPolarHBondContact O-CA 3.38Å; W1485-G1489 PolarHBondContact O-N 3.25Å; G1489-K1491 PolarHBondContact O-N 2.87Å; G1489-M1492 CarbonylContact O-C 3.48Å; G1489-M1492 PolarHBondContact O-N 3.16Å; G1489-L1493 WeakPolarHBondContact O-CA 3.46Å; G1489-L1493 VanDerWaalsContact O-CB 3.23Å; G1489-L1493 WeakPolarHBondContact O-CB 3.05Å; G1489-L1493 PolarHBondContact O-N 3.08Å |
| 1490 | K | 66.2 | Low | 74.9 | Confident | 158 Ų | 158 | 58.4 Ų | 58.4 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -52.9 | -30.7 | -177.1 | -69.7 | -175.8 | -176.5 | 179.5 | 0 | 115.3 | P1486 | P1486-K1490 WeakPolarHBondContact O-CD 3.48Å; P1486-K1490 WeakPolarHBondContact O-CG 3.33Å |
| 1491 | K | 69.9 | Low | 74.3 | Confident | 192 Ų | 192 | 61.9 Ų | 61.9 | 84% | 0.835 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -85.5 | -31.9 | 177.8 | -70.6 | -172.8 | 176.9 | -178.2 | 0 | 113.8 | H1488 G1489 | H1488-K1491 PolarHBondContact O-N 3.03Å; G1489-K1491 PolarHBondContact O-N 2.87Å |
| 1492 | M | 74.5 | Confident | 73.7 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -110 | -3 | -172.7 | -156.6 | 143 | 62.7 | 0 | 0 | 113.6 | I1089 H1488 G1489 N1494 L1495 L1496 | I1089-M1492 HydrophobicContact CB-CE 4.22Å; I1089-M1492 HydrophobicContact CG2-CE 3.69Å; I1089-M1492 WeakPolarHBondContact O-CE 3.17Å; H1488-M1492 PolarHBondContact O-N 3.42Å; H1488-M1492 VanDerWaalsContact O-N 3.07Å; G1489-M1492 CarbonylContact O-C 3.48Å; G1489-M1492 PolarHBondContact O-N 3.16Å; M1492-N1494 VanDerWaalsContact C-N 3.32Å; M1492-N1494 PolarHBondContact O-N 3.25Å; M1492-L1495 HydrophobicContact CG-CB 4.15Å; M1492-L1495 HydrophobicContact CG-CD2 4.16Å; M1492-L1495 CarbonylContact O-C 3.54Å; M1492-L1495 WeakPolarHBondContact O-CA 3Å; M1492-L1495 WeakPolarHBondContact O-CB 3.18Å; M1492-L1495 PolarHBondContact O-N 3.27Å; M1492-L1495 HydrophobicContact SD-CD2 4.43Å; M1492-L1496 HydrophobicContact CB-CD1 3.94Å; M1492-L1496 HydrophobicContact CB-CG 4.48Å; M1492-L1496 HydrophobicContact CG-CD1 4Å; M1492-L1496 HydrophobicContact CG-CG 4.05Å; M1492-L1496 WeakPolarHBondContact O-CD1 3.46Å; M1492-L1496 WeakPolarHBondContact O-CG 3.49Å; M1492-L1496 PolarHBondContact O-N 3.46Å |
| 1493 | L | 79.7 | Confident | 73.1 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51 | -50.2 | -176.3 | -164.5 | 70.1 | 0 | 0 | 0 | 111.8 | K1478 I1481 G1489 L1495 L1496 V1497 | K1478-L1493 HydrophobicContact CB-CD1 4.18Å; K1478-L1493 HydrophobicContact CB-CD2 4.2Å; K1478-L1493 HydrophobicContact CB-CG 4.43Å; K1478-L1493 HydrophobicContact CG-CD1 4.13Å; K1478-L1493 HydrophobicContact CG-CD2 4.22Å; K1478-L1493 HydrophobicContact CG-CG 4.11Å; I1481-L1493 HydrophobicContact CB-CD1 4.14Å; I1481-L1493 HydrophobicContact CG2-CD1 3.78Å; G1489-L1493 WeakPolarHBondContact O-CA 3.46Å; G1489-L1493 VanDerWaalsContact O-CB 3.23Å; G1489-L1493 WeakPolarHBondContact O-CB 3.05Å; G1489-L1493 PolarHBondContact O-N 3.08Å; L1493-L1495 PolarHBondContact O-N 2.86Å; L1493-L1496 PolarHBondContact O-N 2.92Å; L1493-L1496 VanDerWaalsContact O-N 3.16Å; L1493-V1497 CarbonylContact O-C 3.53Å; L1493-V1497 PolarHBondContact O-N 3.35Å; L1493-V1497 VanDerWaalsContact O-O 3.1Å |
| 1494 | N | 77.3 | Confident | 72.4 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.9 | -16.9 | -177.1 | -60.2 | -8.9 | 0 | 0 | 0 | 112.8 | M1492 P1498 | M1492-N1494 VanDerWaalsContact C-N 3.32Å; M1492-N1494 PolarHBondContact O-N 3.25Å; N1494-P1498 WeakPolarHBondContact O-CA 3.2Å |
| 1495 | L | 79.6 | Confident | 71.8 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -92.1 | -24.8 | 173.5 | -173.8 | 63.3 | 0 | 0 | 0 | 112.2 | T1450 M1492 L1493 | T1450-L1495 HydrophobicContact CG2-CD1 4.35Å; T1450-L1495 WeakPolarHBondContact CG2-O 3.48Å; M1492-L1495 HydrophobicContact CG-CB 4.15Å; M1492-L1495 HydrophobicContact CG-CD2 4.16Å; M1492-L1495 CarbonylContact O-C 3.54Å; M1492-L1495 WeakPolarHBondContact O-CA 3Å; M1492-L1495 WeakPolarHBondContact O-CB 3.18Å; M1492-L1495 PolarHBondContact O-N 3.27Å; M1492-L1495 HydrophobicContact SD-CD2 4.43Å; L1493-L1495 PolarHBondContact O-N 2.86Å |
| 1496 | L | 79.2 | Confident | 70.8 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -84.2 | -54.8 | 177.5 | -69.8 | 159.1 | 0 | 0 | 0 | 110.6 | I1089 T1449 L1453 M1492 L1493 | I1089-L1496 HydrophobicContact CD1-CD1 4.35Å; I1089-L1496 HydrophobicContact CG1-CD1 3.82Å; I1089-L1496 HydrophobicContact CG1-CD2 3.96Å; T1449-L1496 HydrophobicContact CG2-CD2 3.68Å; T1449-L1496 HydrophobicContact CG2-CG 4.47Å; L1453-L1496 HydrophobicContact CD2-CB 3.64Å; L1453-L1496 HydrophobicContact CD2-CD2 3.75Å; L1453-L1496 HydrophobicContact CD2-CG 4.3Å; L1453-L1496 WeakPolarHBondContact CD2-O 3.49Å; M1492-L1496 HydrophobicContact CB-CD1 3.94Å; M1492-L1496 HydrophobicContact CB-CG 4.48Å; M1492-L1496 HydrophobicContact CG-CD1 4Å; M1492-L1496 HydrophobicContact CG-CG 4.05Å; M1492-L1496 WeakPolarHBondContact O-CD1 3.46Å; M1492-L1496 WeakPolarHBondContact O-CG 3.49Å; M1492-L1496 PolarHBondContact O-N 3.46Å; L1493-L1496 PolarHBondContact O-N 2.92Å; L1493-L1496 VanDerWaalsContact O-N 3.16Å |
| 1497 | V | 79.4 | Confident | 70.5 | Confident | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -125.8 | 93.7 | 178.1 | -169.1 | 0 | 0 | 0 | 0 | 107.1 | L1453 D1474 L1477 K1478 I1481 L1493 | L1453-V1497 HydrophobicContact CD2-CG2 4.34Å; D1474-V1497 HydrophobicContact CB-CG1 4.18Å; D1474-V1497 VanDerWaalsContact OD2-CG1 3.3Å; D1474-V1497 WeakPolarHBondContact OD2-CG1 3.24Å; L1477-V1497 HydrophobicContact CD2-CG2 4.02Å; L1477-V1497 HydrophobicContact CG-CG2 4.37Å; K1478-V1497 HydrophobicContact CD-CG1 4.31Å; K1478-V1497 WeakPolarHBondContact CE-O 3.5Å; K1478-V1497 HydrophobicContact CG-CB 4.09Å; K1478-V1497 HydrophobicContact CG-CG1 4.14Å; I1481-V1497 HydrophobicContact CD1-CG2 4.12Å; L1493-V1497 CarbonylContact O-C 3.53Å; L1493-V1497 PolarHBondContact O-N 3.35Å; L1493-V1497 VanDerWaalsContact O-O 3.1Å |
| 1498 | P | 76.1 | Confident | 70.9 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -52 | 145.8 | -176.8 | -29.3 | 36.1 | 0 | 0 | 0 | 113.2 | P1439 K1478 N1494 L1503 | P1439-P1498 HydrophobicContact CG-CG 4.09Å; K1478-P1498 WeakPolarHBondContact CE-O 3.5Å; K1478-P1498 PolarHBondContact NZ-O 3Å; N1494-P1498 WeakPolarHBondContact O-CA 3.2Å; P1498-L1503 HydrophobicContact CB-CD1 4.28Å; P1498-L1503 HydrophobicContact CB-CD2 4.27Å; P1498-L1503 HydrophobicContact CB-CG 4.1Å | ||
| 1499 | P | 72.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 24% | 0.24 | 35% | 0.35 | C | S | . | . | trans | -66.4 | 144.9 | 171.4 | 29.7 | -33.8 | 0 | 0 | 0 | 109.7 | S1501 E1502 | P1499-S1501 PolarHBondContact O-N 3.34Å; P1499-E1502 HydrophobicContact CG-CG 4.14Å; P1499-E1502 PolarHBondContact O-N 3.46Å | ||
| 1500 | D | 69.4 | Low | 72.6 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65 | -22.7 | -166 | -41.4 | -9.2 | 0 | 0 | 0 | 111.4 | K1478 E1502 L1503 V1504 | K1478-D1500 IonicContact NZ-OD1 3.89Å; K1478-D1500 PolarHBondContact NZ-OD1 3.46Å; D1500-E1502 PolarHBondContact O-N 3.05Å; D1500-L1503 PolarHBondContact O-N 3.13Å; D1500-L1503 VanDerWaalsContact O-N 3.14Å; D1500-V1504 WeakPolarHBondContact O-CB 3.3Å; D1500-V1504 WeakPolarHBondContact O-CG2 3.46Å; D1500-V1504 PolarHBondContact O-N 2.92Å |
| 1501 | S | 68.9 | Low | 73.3 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.1 | -33.2 | 167.4 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | P1499 Y1505 | P1499-S1501 PolarHBondContact O-N 3.34Å; S1501-Y1505 PolarHBondContact O-N 2.98Å |
| 1502 | E | 68.4 | Low | 74 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -88.2 | -25 | 177 | -64.8 | -165.6 | 124.5 | 0 | 0 | 113.2 | P1499 D1500 K1507 | P1499-E1502 HydrophobicContact CG-CG 4.14Å; P1499-E1502 PolarHBondContact O-N 3.46Å; D1500-E1502 PolarHBondContact O-N 3.05Å; E1502-K1507 HydrophobicContact CB-CD 4.25Å; E1502-K1507 HydrophobicContact CG-CD 4.33Å; E1502-K1507 IonicContact OE1-NZ 3.63Å; E1502-K1507 PolarHBondContact OE1-NZ 3.33Å |
| 1503 | L | 68.2 | Low | 74.5 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.9 | -42.4 | -178.9 | -66.1 | 168.1 | 0 | 0 | 0 | 111.2 | N1437 P1498 D1500 K1512 | N1437-L1503 WeakPolarHBondContact O-CD2 3.32Å; P1498-L1503 HydrophobicContact CB-CD1 4.28Å; P1498-L1503 HydrophobicContact CB-CD2 4.27Å; P1498-L1503 HydrophobicContact CB-CG 4.1Å; D1500-L1503 PolarHBondContact O-N 3.13Å; D1500-L1503 VanDerWaalsContact O-N 3.14Å; L1503-K1512 WeakPolarHBondContact O-CE 3.35Å; L1503-K1512 PolarHBondContact O-NZ 3.06Å |
| 1504 | V | 64.3 | Low | 74.9 | Confident | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84.7 | -50.6 | -175.9 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | D1500 | D1500-V1504 WeakPolarHBondContact O-CB 3.3Å; D1500-V1504 WeakPolarHBondContact O-CG2 3.46Å; D1500-V1504 PolarHBondContact O-N 2.92Å |
| 1505 | Y | 61.8 | Low | 75.2 | Confident | 160 Ų | 160 | 53.5 Ų | 53.5 | 63% | 0.627 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -107.2 | 141.4 | -167.7 | -60.2 | -77.4 | 0 | 0 | 0 | 113.7 | S1501 K1507 | S1501-Y1505 PolarHBondContact O-N 2.98Å; Y1505-K1507 PolarHBondContact O-N 3.41Å |
| 1506 | H | 60.2 | Low | 75.4 | Confident | 202 Ų | 202 | 52.8 Ų | 52.8 | 94% | 0.935 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 55.9 | -39.1 | 175.6 | -67.9 | -76.8 | 0 | 0 | 0 | 119.8 | ||
| 1507 | K | 66.3 | Low | 75.6 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | trans | -83.3 | 145.6 | -177.2 | -64.2 | -172.4 | 175.3 | -174.4 | 0 | 113.3 | E1502 Y1505 K1512 | E1502-K1507 HydrophobicContact CB-CD 4.25Å; E1502-K1507 HydrophobicContact CG-CD 4.33Å; E1502-K1507 IonicContact OE1-NZ 3.63Å; E1502-K1507 PolarHBondContact OE1-NZ 3.33Å; Y1505-K1507 PolarHBondContact O-N 3.41Å; K1507-K1512 PolarHBondContact O-NZ 3.18Å | ||
| 1508 | M | 77.7 | Confident | 75.8 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | trans | -76 | 145.1 | 170.6 | -172.5 | 60.6 | 73.4 | 0 | 0 | 109.7 | V1440 K1512 I1513 | V1440-M1508 HydrophobicContact CB-CB 4.49Å; V1440-M1508 PolarHBondContact N-O 2.84Å; M1508-K1512 HydrophobicContact SD-CB 3.72Å; M1508-K1512 HydrophobicContact SD-CD 4.49Å; M1508-I1513 HydrophobicContact CG-CD1 3.84Å; M1508-I1513 HydrophobicContact CG-CG1 3.71Å; M1508-I1513 HydrophobicContact SD-CG1 3.82Å | ||
| 1509 | T | 82.3 | Confident | 76 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -124.5 | 153.5 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 110 | N1437 M1438 G1511 K1512 I1513 | N1437-T1509 WeakPolarHBondContact OD1-CB 3.37Å; N1437-T1509 PolarHBondContact OD1-OG1 3.3Å; M1438-T1509 CarbonylContact O-C 3.59Å; M1438-T1509 WeakPolarHBondContact O-CA 3.39Å; M1438-T1509 VanDerWaalsContact O-CB 3.24Å; M1438-T1509 WeakPolarHBondContact O-CB 3.29Å; T1509-G1511 PolarHBondContact O-N 3.23Å; T1509-G1511 PolarHBondContact OG1-N 3.37Å; T1509-K1512 HydrophobicContact CG2-CD 4.25Å; T1509-K1512 WeakPolarHBondContact O-CB 3.4Å; T1509-K1512 PolarHBondContact O-N 2.95Å; T1509-K1512 WeakPolarHBondContact OG1-CG 3.04Å; T1509-K1512 PolarHBondContact OG1-N 2.85Å; T1509-I1513 WeakPolarHBondContact O-CG1 3.25Å; T1509-I1513 PolarHBondContact O-N 3.06Å |
| 1510 | V | 82.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.3 | -33.7 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | L1433 M1438 V1440 V1446 I1513 Y1514 | L1433-V1510 HydrophobicContact CD2-CG1 4.17Å; M1438-V1510 HydrophobicContact CB-CB 4.28Å; M1438-V1510 HydrophobicContact CB-CG2 3.95Å; M1438-V1510 HydrophobicContact CE-CB 3.92Å; M1438-V1510 HydrophobicContact CE-CG1 3.72Å; M1438-V1510 HydrophobicContact CE-CG2 4.12Å; M1438-V1510 PolarHBondContact O-N 3.12Å; V1440-V1510 HydrophobicContact CG2-CB 4.41Å; V1440-V1510 HydrophobicContact CG2-CG2 3.52Å; V1446-V1510 HydrophobicContact CG1-CG2 4.26Å; V1446-V1510 HydrophobicContact CG2-CG2 3.57Å; V1510-I1513 PolarHBondContact O-N 3.1Å; V1510-Y1514 HydrophobicContact CG1-CD2 3.58Å; V1510-Y1514 HydrophobicContact CG1-CE2 3.81Å; V1510-Y1514 WeakPolarHBondContact O-CD2 3.33Å; V1510-Y1514 PolarHBondContact O-N 2.95Å |
| 1511 | G | 81.5 | Confident | 76.8 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1509 I1513 A1515 | T1509-G1511 PolarHBondContact O-N 3.23Å; T1509-G1511 PolarHBondContact OG1-N 3.37Å; G1511-I1513 VanDerWaalsContact C-N 3.34Å; G1511-I1513 PolarHBondContact O-N 3.22Å; G1511-A1515 WeakPolarHBondContact O-CB 3.39Å; G1511-A1515 PolarHBondContact O-N 3.34Å |
| 1512 | K | 85 | Confident | 77.1 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.2 | -67.1 | 167.7 | -161.6 | 177.1 | 0 | 111.2 | L1503 K1507 M1508 T1509 S1516 | L1503-K1512 WeakPolarHBondContact O-CE 3.35Å; L1503-K1512 PolarHBondContact O-NZ 3.06Å; K1507-K1512 PolarHBondContact O-NZ 3.18Å; M1508-K1512 HydrophobicContact SD-CB 3.72Å; M1508-K1512 HydrophobicContact SD-CD 4.49Å; T1509-K1512 HydrophobicContact CG2-CD 4.25Å; T1509-K1512 WeakPolarHBondContact O-CB 3.4Å; T1509-K1512 PolarHBondContact O-N 2.95Å; T1509-K1512 WeakPolarHBondContact OG1-CG 3.04Å; T1509-K1512 PolarHBondContact OG1-N 2.85Å; K1512-S1516 WeakPolarHBondContact O-CB 3.47Å; K1512-S1516 PolarHBondContact O-N 3.36Å |
| 1513 | I | 85.8 | Confident | 77.5 | Confident | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -56.7 | 177.3 | -64.2 | 173.7 | 0 | 0 | 0 | 111.3 | V1440 M1508 T1509 V1510 G1511 A1515 S1516 Y1517 | V1440-I1513 HydrophobicContact CG2-CD1 4.04Å; M1508-I1513 HydrophobicContact CG-CD1 3.84Å; M1508-I1513 HydrophobicContact CG-CG1 3.71Å; M1508-I1513 HydrophobicContact SD-CG1 3.82Å; T1509-I1513 WeakPolarHBondContact O-CG1 3.25Å; T1509-I1513 PolarHBondContact O-N 3.06Å; V1510-I1513 PolarHBondContact O-N 3.1Å; G1511-I1513 VanDerWaalsContact C-N 3.34Å; G1511-I1513 PolarHBondContact O-N 3.22Å; I1513-A1515 VanDerWaalsContact C-N 3.33Å; I1513-A1515 PolarHBondContact O-N 3.15Å; I1513-S1516 WeakPolarHBondContact O-CA 3.33Å; I1513-S1516 WeakPolarHBondContact O-CB 3.45Å; I1513-S1516 PolarHBondContact O-N 2.92Å; I1513-S1516 PolarHBondContact O-OG 3.08Å; I1513-Y1517 HydrophobicContact CG2-CD2 3.84Å; I1513-Y1517 HydrophobicContact CG2-CE2 3.74Å; I1513-Y1517 WeakPolarHBondContact O-CD2 3.45Å; I1513-Y1517 PolarHBondContact O-N 3.11Å |
| 1514 | Y | 86.7 | Confident | 77.9 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.8 | -23.6 | -178.3 | -77.1 | -77.3 | 0 | 0 | 0 | 113.5 | H1404 Y1408 Y1430 L1433 V1510 Y1517 L1518 | H1404-Y1514 PolarHBondContact O-OH 2.87Å; Y1408-Y1514 WeakPolarHBondContact CB-OH 3.28Å; Y1430-Y1514 AromaticContact CD1-CD1 3.42Å; Y1430-Y1514 HydrophobicContact CD1-CD1 3.42Å; Y1430-Y1514 VanDerWaalsContact CD1-CD1 3.42Å; Y1430-Y1514 AromaticContact CD1-CE1 3.81Å; Y1430-Y1514 HydrophobicContact CD1-CE1 3.81Å; Y1430-Y1514 HydrophobicContact CD1-CG 4.39Å; Y1430-Y1514 AromaticContact CE1-CD1 3.65Å; Y1430-Y1514 HydrophobicContact CE1-CD1 3.65Å; Y1430-Y1514 AromaticContact CE1-CE1 3.63Å; Y1430-Y1514 HydrophobicContact CE1-CE1 3.63Å; Y1430-Y1514 AromaticContact CG-CD1 3.98Å; Y1430-Y1514 HydrophobicContact CG-CD1 3.98Å; L1433-Y1514 HydrophobicContact CB-CD2 4.22Å; L1433-Y1514 HydrophobicContact CB-CG 4.35Å; L1433-Y1514 HydrophobicContact CD1-CD1 4.33Å; L1433-Y1514 HydrophobicContact CD1-CD2 4.02Å; L1433-Y1514 HydrophobicContact CD1-CE1 4.31Å; L1433-Y1514 HydrophobicContact CD1-CE2 3.99Å; L1433-Y1514 HydrophobicContact CD1-CG 4.19Å; V1510-Y1514 HydrophobicContact CG1-CD2 3.58Å; V1510-Y1514 HydrophobicContact CG1-CE2 3.81Å; V1510-Y1514 WeakPolarHBondContact O-CD2 3.33Å; V1510-Y1514 PolarHBondContact O-N 2.95Å; Y1514-Y1517 HydrophobicContact CD1-CD2 4.37Å; Y1514-Y1517 PolarHBondContact O-N 3.43Å; Y1514-L1518 VanDerWaalsContact O-CB 3.25Å; Y1514-L1518 WeakPolarHBondContact O-CB 3.18Å; Y1514-L1518 PolarHBondContact O-N 2.77Å |
| 1515 | A | 83.9 | Confident | 78.1 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1434 G1511 I1513 L1518 M1519 | I1434-A1515 HydrophobicContact CD1-CB 4.1Å; I1434-A1515 HydrophobicContact CG1-CB 4.12Å; G1511-A1515 WeakPolarHBondContact O-CB 3.39Å; G1511-A1515 PolarHBondContact O-N 3.34Å; I1513-A1515 VanDerWaalsContact C-N 3.33Å; I1513-A1515 PolarHBondContact O-N 3.15Å; A1515-L1518 PolarHBondContact O-N 2.99Å; A1515-M1519 VanDerWaalsContact O-CB 3.27Å; A1515-M1519 WeakPolarHBondContact O-CB 3.33Å; A1515-M1519 WeakPolarHBondContact O-CG 3.41Å; A1515-M1519 PolarHBondContact O-N 3.11Å |
| 1516 | S | 84.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.9 | 83.9 | 0 | 0 | 0 | 0 | 111.8 | K1512 I1513 M1519 I1520 | K1512-S1516 WeakPolarHBondContact O-CB 3.47Å; K1512-S1516 PolarHBondContact O-N 3.36Å; I1513-S1516 WeakPolarHBondContact O-CA 3.33Å; I1513-S1516 WeakPolarHBondContact O-CB 3.45Å; I1513-S1516 PolarHBondContact O-N 2.92Å; I1513-S1516 PolarHBondContact O-OG 3.08Å; S1516-M1519 PolarHBondContact O-N 2.95Å; S1516-I1520 VanDerWaalsContact O-CB 3.23Å; S1516-I1520 WeakPolarHBondContact O-CB 3.47Å; S1516-I1520 WeakPolarHBondContact O-CD1 3.41Å; S1516-I1520 WeakPolarHBondContact O-CG1 3.39Å; S1516-I1520 PolarHBondContact O-N 3.31Å |
| 1517 | Y | 83.5 | Confident | 78.6 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 37% | 0.365 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 172.5 | -83 | -74 | 0 | 0 | 0 | 112 | I1513 Y1514 M1519 I1520 E1521 | I1513-Y1517 HydrophobicContact CG2-CD2 3.84Å; I1513-Y1517 HydrophobicContact CG2-CE2 3.74Å; I1513-Y1517 WeakPolarHBondContact O-CD2 3.45Å; I1513-Y1517 PolarHBondContact O-N 3.11Å; Y1514-Y1517 HydrophobicContact CD1-CD2 4.37Å; Y1514-Y1517 PolarHBondContact O-N 3.43Å; Y1517-M1519 VanDerWaalsContact C-N 3.34Å; Y1517-M1519 PolarHBondContact O-N 2.73Å; Y1517-I1520 CarbonylContact O-C 3.42Å; Y1517-I1520 PolarHBondContact O-N 2.65Å; Y1517-E1521 VanDerWaalsContact O-CB 3.32Å; Y1517-E1521 WeakPolarHBondContact O-CB 3.28Å; Y1517-E1521 WeakPolarHBondContact O-CG 3.37Å; Y1517-E1521 PolarHBondContact O-N 3.46Å |
| 1518 | L | 82.3 | Confident | 78.1 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -33.6 | 178.7 | -172.8 | 67.7 | 0 | 0 | 0 | 112.1 | Y1430 I1434 Y1514 A1515 N1522 | Y1430-L1518 HydrophobicContact CD2-CD1 4.32Å; I1434-L1518 HydrophobicContact CD1-CB 4.32Å; I1434-L1518 HydrophobicContact CD1-CD2 3.71Å; Y1514-L1518 VanDerWaalsContact O-CB 3.25Å; Y1514-L1518 WeakPolarHBondContact O-CB 3.18Å; Y1514-L1518 PolarHBondContact O-N 2.77Å; A1515-L1518 PolarHBondContact O-N 2.99Å; L1518-N1522 VanDerWaalsContact O-CB 3.23Å; L1518-N1522 WeakPolarHBondContact O-CB 3.37Å; L1518-N1522 PolarHBondContact O-N 3.46Å; L1518-N1522 PolarHBondContact O-ND2 3.04Å; L1518-N1522 VanDerWaalsContact O-ND2 3.08Å |
| 1519 | M | 82.2 | Confident | 76.7 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72 | -40.4 | 172.8 | -74.1 | 175.2 | 68.7 | 0 | 0 | 111.5 | A1515 S1516 Y1517 W1523 | A1515-M1519 VanDerWaalsContact O-CB 3.27Å; A1515-M1519 WeakPolarHBondContact O-CB 3.33Å; A1515-M1519 WeakPolarHBondContact O-CG 3.41Å; A1515-M1519 PolarHBondContact O-N 3.11Å; S1516-M1519 PolarHBondContact O-N 2.95Å; Y1517-M1519 VanDerWaalsContact C-N 3.34Å; Y1517-M1519 PolarHBondContact O-N 2.73Å; M1519-W1523 WeakPolarHBondContact O-CB 3.42Å; M1519-W1523 PolarHBondContact O-N 3.37Å |
| 1520 | I | 82.7 | Confident | 75.1 | Confident | 72 Ų | 72 | 71 Ų | 71 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 174.3 | -72.3 | 164.6 | 0 | 0 | 0 | 110.5 | S1516 Y1517 R1524 | S1516-I1520 VanDerWaalsContact O-CB 3.23Å; S1516-I1520 WeakPolarHBondContact O-CB 3.47Å; S1516-I1520 WeakPolarHBondContact O-CD1 3.41Å; S1516-I1520 WeakPolarHBondContact O-CG1 3.39Å; S1516-I1520 PolarHBondContact O-N 3.31Å; Y1517-I1520 CarbonylContact O-C 3.42Å; Y1517-I1520 PolarHBondContact O-N 2.65Å; I1520-R1524 HydrophobicContact CG2-CG 4.24Å; I1520-R1524 WeakPolarHBondContact O-CA 3.42Å; I1520-R1524 WeakPolarHBondContact O-CB 3.31Å; I1520-R1524 WeakPolarHBondContact O-CG 3.37Å; I1520-R1524 PolarHBondContact O-N 3.31Å |
| 1521 | E | 74.1 | Confident | 73.4 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.7 | -40.6 | 174.5 | -80.1 | -178.2 | -178.8 | 0 | 0 | 112.2 | Y1426 Y1430 Y1517 R1524 A1525 | Y1426-E1521 VanDerWaalsContact CD2-OE2 3.3Å; Y1426-E1521 WeakPolarHBondContact CD2-OE2 3.3Å; Y1426-E1521 WeakPolarHBondContact CE2-OE2 3.43Å; Y1430-E1521 WeakPolarHBondContact CE2-OE1 3.39Å; Y1430-E1521 WeakPolarHBondContact CE2-OE2 3.37Å; Y1430-E1521 PolarHBondContact OH-OE1 2.76Å; Y1517-E1521 VanDerWaalsContact O-CB 3.32Å; Y1517-E1521 WeakPolarHBondContact O-CB 3.28Å; Y1517-E1521 WeakPolarHBondContact O-CG 3.37Å; Y1517-E1521 PolarHBondContact O-N 3.46Å; E1521-R1524 PolarHBondContact O-N 3.31Å; E1521-A1525 WeakPolarHBondContact O-CB 3.46Å; E1521-A1525 PolarHBondContact O-N 2.82Å |
| 1522 | N | 75.9 | Confident | 71.4 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 172.8 | -76.3 | -32.8 | 0 | 0 | 0 | 110.8 | L1518 A1525 T1526 | L1518-N1522 VanDerWaalsContact O-CB 3.23Å; L1518-N1522 WeakPolarHBondContact O-CB 3.37Å; L1518-N1522 PolarHBondContact O-N 3.46Å; L1518-N1522 PolarHBondContact O-ND2 3.04Å; L1518-N1522 VanDerWaalsContact O-ND2 3.08Å; N1522-A1525 PolarHBondContact O-N 3.2Å; N1522-T1526 WeakPolarHBondContact O-CB 3.3Å; N1522-T1526 PolarHBondContact O-N 3.3Å; N1522-T1526 PolarHBondContact O-OG1 3.21Å |
| 1523 | W | 77.6 | Confident | 68.9 | Low | 142 Ų | 142 | 74.3 Ų | 74.3 | 54% | 0.538 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 175.8 | 179.4 | 87.1 | 0 | 0 | 0 | 112.6 | M1519 T1526 R1527 | M1519-W1523 WeakPolarHBondContact O-CB 3.42Å; M1519-W1523 PolarHBondContact O-N 3.37Å; W1523-T1526 CarbonylContact O-C 3.32Å; W1523-T1526 PolarHBondContact O-N 3.44Å; W1523-R1527 HydrophobicContact CD2-CG 4.26Å; W1523-R1527 VanDerWaalsContact CE2-CD 3.4Å; W1523-R1527 HydrophobicContact CZ2-CG 4.43Å; W1523-R1527 VanDerWaalsContact O-CB 3.24Å; W1523-R1527 WeakPolarHBondContact O-CB 3.4Å; W1523-R1527 WeakPolarHBondContact O-CG 3.28Å; W1523-R1527 PolarHBondContact O-N 3.2Å |
| 1524 | R | 74.6 | Confident | 66.3 | Low | 166 Ų | 166 | 76.3 Ų | 76.3 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.8 | -34.2 | 170.5 | -79 | 174.9 | -179 | -174.2 | 0.7 | 111.7 | I1520 E1521 R1527 A1528 | I1520-R1524 HydrophobicContact CG2-CG 4.24Å; I1520-R1524 WeakPolarHBondContact O-CA 3.42Å; I1520-R1524 WeakPolarHBondContact O-CB 3.31Å; I1520-R1524 WeakPolarHBondContact O-CG 3.37Å; I1520-R1524 PolarHBondContact O-N 3.31Å; E1521-R1524 PolarHBondContact O-N 3.31Å; R1524-R1527 PolarHBondContact O-N 3.33Å; R1524-A1528 WeakPolarHBondContact O-CA 3.25Å; R1524-A1528 WeakPolarHBondContact O-CB 3.37Å; R1524-A1528 PolarHBondContact O-N 3Å |
| 1525 | A | 69.6 | Low | 63.7 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 34% | 0.339 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1521 N1522 F1529 | E1521-A1525 WeakPolarHBondContact O-CB 3.46Å; E1521-A1525 PolarHBondContact O-N 2.82Å; N1522-A1525 PolarHBondContact O-N 3.2Å; A1525-F1529 WeakPolarHBondContact O-CB 3.43Å; A1525-F1529 WeakPolarHBondContact O-CD2 3.35Å; A1525-F1529 PolarHBondContact O-N 2.94Å |
| 1526 | T | 69.4 | Low | 61.3 | Low | 76 Ų | 76 | 85.7 Ų | 85.7 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 171.1 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | N1522 W1523 F1529 Q1530 | N1522-T1526 WeakPolarHBondContact O-CB 3.3Å; N1522-T1526 PolarHBondContact O-N 3.3Å; N1522-T1526 PolarHBondContact O-OG1 3.21Å; W1523-T1526 CarbonylContact O-C 3.32Å; W1523-T1526 PolarHBondContact O-N 3.44Å; T1526-F1529 CarbonylContact O-C 2.91Å; T1526-F1529 VanDerWaalsContact O-CA 3.25Å; T1526-F1529 WeakPolarHBondContact O-CA 3.29Å; T1526-F1529 WeakPolarHBondContact O-CB 3.18Å; T1526-F1529 PolarHBondContact O-N 3.41Å; T1526-F1529 VanDerWaalsContact O-N 3.13Å; T1526-Q1530 VanDerWaalsContact O-CG 3.31Å; T1526-Q1530 WeakPolarHBondContact O-CG 3.35Å; T1526-Q1530 PolarHBondContact O-N 2.91Å |
| 1527 | R | 62.7 | Low | 58.8 | Low | 135 Ų | 135 | 92 Ų | 92 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -88.8 | -26.1 | -178.1 | -79.8 | -161.5 | 68.5 | -166 | -1.3 | 116.1 | W1523 R1524 F1529 Q1530 G1531 | W1523-R1527 HydrophobicContact CD2-CG 4.26Å; W1523-R1527 VanDerWaalsContact CE2-CD 3.4Å; W1523-R1527 HydrophobicContact CZ2-CG 4.43Å; W1523-R1527 VanDerWaalsContact O-CB 3.24Å; W1523-R1527 WeakPolarHBondContact O-CB 3.4Å; W1523-R1527 WeakPolarHBondContact O-CG 3.28Å; W1523-R1527 PolarHBondContact O-N 3.2Å; R1524-R1527 PolarHBondContact O-N 3.33Å; R1527-F1529 PolarHBondContact O-N 3.06Å; R1527-Q1530 VanDerWaalsContact C-N 3.31Å; R1527-Q1530 CarbonylContact O-C 3.58Å; R1527-Q1530 WeakPolarHBondContact O-CA 3.12Å; R1527-Q1530 PolarHBondContact O-N 2.88Å; R1527-G1531 PolarHBondContact O-N 3.35Å |
| 1528 | A | 55.5 | Low | 56.3 | Low | 50 Ų | 50 | 91.4 Ų | 91.4 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 9.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1524 T1562 | R1524-A1528 WeakPolarHBondContact O-CA 3.25Å; R1524-A1528 WeakPolarHBondContact O-CB 3.37Å; R1524-A1528 PolarHBondContact O-N 3Å; A1528-T1562 WeakPolarHBondContact O-CA 3.31Å; A1528-T1562 PolarHBondContact O-N 3.45Å |
| 1529 | F | 47.9 | Very low | 53.9 | Low | 130 Ų | 130 | 92.2 Ų | 92.2 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 20.8 | 150.3 | -93.1 | -96 | 0 | 0 | 0 | 111.6 | A1525 T1526 R1527 N1559 S1560 E1561 | A1525-F1529 WeakPolarHBondContact O-CB 3.43Å; A1525-F1529 WeakPolarHBondContact O-CD2 3.35Å; A1525-F1529 PolarHBondContact O-N 2.94Å; T1526-F1529 CarbonylContact O-C 2.91Å; T1526-F1529 VanDerWaalsContact O-CA 3.25Å; T1526-F1529 WeakPolarHBondContact O-CA 3.29Å; T1526-F1529 WeakPolarHBondContact O-CB 3.18Å; T1526-F1529 PolarHBondContact O-N 3.41Å; T1526-F1529 VanDerWaalsContact O-N 3.13Å; R1527-F1529 PolarHBondContact O-N 3.06Å; F1529-N1559 CarbonylContact O-C 3.41Å; F1529-S1560 CarbonylContact C-O 3.37Å; F1529-S1560 VanDerWaalsContact C-O 3.24Å; F1529-S1560 CarbonylContact O-C 2.78Å; F1529-S1560 WeakPolarHBondContact O-CA 3.07Å; F1529-S1560 PolarHBondContact O-N 3.27Å; F1529-E1561 HydrophobicContact CD1-CG 3.62Å; F1529-E1561 HydrophobicContact CE1-CG 3.69Å; F1529-E1561 PolarHBondContact O-N 3.03Å |
| 1530 | Q | 49.5 | Very low | 51.7 | Low | 90 Ų | 90 | 88.9 Ų | 88.9 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -137.5 | 15.1 | 174.9 | -68.7 | 174.3 | -19.1 | 0 | 0 | 115.2 | T1526 R1527 N1559 S1560 | T1526-Q1530 VanDerWaalsContact O-CG 3.31Å; T1526-Q1530 WeakPolarHBondContact O-CG 3.35Å; T1526-Q1530 PolarHBondContact O-N 2.91Å; R1527-Q1530 VanDerWaalsContact C-N 3.31Å; R1527-Q1530 CarbonylContact O-C 3.58Å; R1527-Q1530 WeakPolarHBondContact O-CA 3.12Å; R1527-Q1530 PolarHBondContact O-N 2.88Å; Q1530-N1559 WeakPolarHBondContact CG-O 3.22Å; Q1530-S1560 CarbonylContact C-O 3.58Å; Q1530-S1560 WeakPolarHBondContact CA-O 3.36Å; Q1530-S1560 WeakPolarHBondContact CA-OG 3.49Å; Q1530-S1560 PolarHBondContact N-O 2.66Å; Q1530-S1560 PolarHBondContact O-OG 3.32Å |
| 1531 | G | 46.4 | Very low | 49.5 | Very low | 33 Ų | 33 | 91.5 Ų | 91.5 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -91.1 | -68.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | R1527 S1560 T1562 | R1527-G1531 PolarHBondContact O-N 3.35Å; G1531-S1560 PolarHBondContact N-O 2.89Å; G1531-T1562 CarbonylContact C-O 3.54Å; G1531-T1562 WeakPolarHBondContact CA-O 3.43Å; G1531-T1562 PolarHBondContact N-O 2.89Å |
| 1532 | K | 39.1 | Very low | 47.5 | Very low | 59 Ų | 59 | 90.7 Ų | 90.7 | 26% | 0.257 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -71.3 | 139 | -175.6 | -63.4 | -161.5 | 168.2 | 60.3 | 0 | 112.4 | S1560 E1561 T1562 E1563 D1564 R1566 | K1532-S1560 WeakPolarHBondContact O-CB 3.36Å; K1532-E1561 WeakPolarHBondContact CA-O 3.45Å; K1532-E1561 WeakPolarHBondContact CB-O 3.48Å; K1532-E1561 PolarHBondContact N-O 3Å; K1532-T1562 VanDerWaalsContact CD-OG1 3.26Å; K1532-T1562 WeakPolarHBondContact CD-OG1 3.49Å; K1532-T1562 WeakPolarHBondContact CG-OG1 3.16Å; K1532-T1562 PolarHBondContact N-O 2.96Å; K1532-E1563 HydrophobicContact CG-CB 3.64Å; K1532-E1563 HydrophobicContact CG-CG 3.68Å; K1532-E1563 WeakPolarHBondContact CG-OE1 3.5Å; K1532-E1563 VanDerWaalsContact NZ-N 3.13Å; K1532-D1564 VanDerWaalsContact NZ-CG 3.27Å; K1532-D1564 IonicContact NZ-OD1 3.97Å; K1532-D1564 PolarHBondContact NZ-OD1 2.9Å; K1532-D1564 IonicContact NZ-OD2 2.61Å; K1532-D1564 PolarHBondContact NZ-OD2 3.2Å; K1532-R1566 VanDerWaalsContact CE-NH2 3.28Å |
| 1533 | G | 33.1 | Very low | 45.7 | Very low | 61 Ų | 61 | 91.3 Ų | 91.3 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 84 | 87.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1560 | G1533-S1560 WeakPolarHBondContact O-CB 3.28Š|
| 1534 | G | 32.3 | Very low | 44 | Very low | 64 Ų | 64 | 92.5 Ų | 92.5 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | trans | -71.7 | 163.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1535 | T | 31.2 | Very low | 42.1 | Very low | 147 Ų | 147 | 91.6 Ų | 91.6 | 90% | 0.902 | 53% | 0.534 | S | S | * | . | trans | 62.5 | 95.6 | 160.2 | 61.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1536 | S | 32.9 | Very low | 40.3 | Very low | 88 Ų | 88 | 94.5 Ų | 94.5 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | -174.2 | 165.6 | 124.3 | -160.5 | 0 | 0 | 0 | 0 | 113.1 | N1559 | S1536-N1559 PolarHBondContact O-ND2 2.67Š| |||
| 1537 | K | 31.7 | Very low | 38.5 | Very low | 186 Ų | 186 | 93.7 Ų | 93.7 | 81% | 0.809 | 55% | 0.546 | S | S | * | . | trans | -98.9 | 140.6 | -163.9 | -63.7 | 170.7 | 176.6 | 173.8 | 0 | 114.8 | ||||
| 1538 | S | 31.5 | Very low | 36.8 | Very low | 80 Ų | 80 | 91.3 Ų | 91.3 | 56% | 0.559 | 56% | 0.555 | S | S | * | * | 70.7 | 179.7 | 125.1 | -159.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1539 | A | 33 | Very low | 35.4 | Very low | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | trans | 91.3 | 69.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | H1555 | A1539-H1555 WeakPolarHBondContact O-CB 3.23Š| ||
| 1540 | S | 36 | Very low | 34.6 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | trans | 57 | 118.7 | 135.6 | 60.3 | 0 | 0 | 0 | 0 | 123.2 | H1554 | S1540-H1554 CarbonylContact C-O 3.5Š| ||
| 1541 | I | 35.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 94 Ų | 94 | 65% | 0.651 | 57% | 0.567 | S | S | * | * | 109.3 | -35.5 | 115.9 | -75.9 | 171.2 | 0 | 0 | 0 | 123.3 | |||||
| 1542 | L | 31.8 | Very low | 32.7 | Very low | 37 Ų | 37 | 97.4 Ų | 97.4 | 19% | 0.194 | 58% | 0.577 | C | S | . | * | trans | -126 | 21 | -155.9 | -134.3 | 145.8 | 0 | 0 | 0 | 117.4 | R1544 F1545 F1546 N1552 A1553 H1554 H1555 | L1542-R1544 PolarHBondContact O-N 3.42Å; L1542-F1545 HydrophobicContact CD1-CB 4.01Å; L1542-F1545 HydrophobicContact CD2-CB 3.53Å; L1542-F1545 HydrophobicContact CG-CB 3.5Å; L1542-F1545 VanDerWaalsContact CG-CB 3.5Å; L1542-F1546 HydrophobicContact CD2-CB 4.09Å; L1542-F1546 HydrophobicContact CD2-CD2 4.31Å; L1542-N1552 WeakPolarHBondContact CD1-O 3.29Å; L1542-N1552 WeakPolarHBondContact CD2-O 3.5Å; L1542-A1553 WeakPolarHBondContact CB-O 3.45Å; L1542-A1553 WeakPolarHBondContact CD1-O 3.29Å; L1542-A1553 WeakPolarHBondContact CG-O 3.49Å; L1542-H1554 VanDerWaalsContact CA-O 3.27Å; L1542-H1554 WeakPolarHBondContact CA-O 3.43Å; L1542-H1554 WeakPolarHBondContact CB-O 3.21Å; L1542-H1554 PolarHBondContact N-O 2.73Å; L1542-H1555 PolarHBondContact N-O 3.41Å | ||
| 1543 | A | 38.8 | Very low | 32.5 | Very low | 88 Ų | 88 | 97 Ų | 97 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 21.1 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1555 | A1543-H1555 PolarHBondContact N-O 3.27Š|
| 1544 | R | 41.6 | Very low | 32.7 | Very low | 167 Ų | 167 | 100.2 Ų | 100.2 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.1 | 11.6 | -164.7 | -89.6 | -178.2 | 167.7 | -155.6 | 2.8 | 114.2 | L1542 Y1715 | L1542-R1544 PolarHBondContact O-N 3.42Å; R1544-Y1715 HydrophobicContact CB-CE2 3.97Å; R1544-Y1715 WeakPolarHBondContact CD-OH 3.37Å; R1544-Y1715 HydrophobicContact CG-CE2 4.06Å; R1544-Y1715 WeakPolarHBondContact O-CD2 3.45Å; R1544-Y1715 WeakPolarHBondContact O-CE2 3.17Å; R1544-Y1715 VanDerWaalsContact O-CZ 3.28Å |
| 1545 | F | 33.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 101.5 Ų | 101.5 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.6 | -19.8 | -177.1 | -134.1 | -82.1 | 0 | 0 | 0 | 115.6 | L1542 | L1542-F1545 HydrophobicContact CD1-CB 4.01Å; L1542-F1545 HydrophobicContact CD2-CB 3.53Å; L1542-F1545 HydrophobicContact CG-CB 3.5Å; L1542-F1545 VanDerWaalsContact CG-CB 3.5Å |
| 1546 | F | 33.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 98.3 Ų | 98.3 | 45% | 0.447 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -136.2 | 110 | 166.5 | -88.8 | -78.4 | 0 | 0 | 0 | 108.8 | L1542 V1549 Q1551 | L1542-F1546 HydrophobicContact CD2-CB 4.09Å; L1542-F1546 HydrophobicContact CD2-CD2 4.31Å; F1546-V1549 CarbonylContact C-O 3.05Å; F1546-V1549 VanDerWaalsContact C-O 3.27Å; F1546-V1549 HydrophobicContact CD1-CB 4.26Å; F1546-Q1551 WeakPolarHBondContact CD1-O 3.48Å; F1546-Q1551 VanDerWaalsContact CE1-O 3.31Å; F1546-Q1551 WeakPolarHBondContact CE1-O 3.27Å; F1546-Q1551 VanDerWaalsContact CG-O 3.23Å; F1546-Q1551 WeakPolarHBondContact CG-O 3.45Å |
| 1547 | G | 30.9 | Very low | 32.8 | Very low | 59 Ų | 59 | 98.2 Ų | 98.2 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -179.8 | -37.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1549 | G1547-V1549 VanDerWaalsContact C-N 3.26Å; G1547-V1549 PolarHBondContact N-O 3.41Å; G1547-V1549 VanDerWaalsContact N-O 3.09Å; G1547-V1549 PolarHBondContact O-N 3.4Å; G1547-V1549 VanDerWaalsContact O-N 3.11Å |
| 1548 | A | 26 | Very low | 32.8 | Very low | 85 Ų | 85 | 93.6 Ų | 93.6 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | S | Bend | -57.9 | 102.1 | 123.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||
| 1549 | V | 26.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 93.3 Ų | 93.3 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 71.4 | 140.1 | -179.9 | -159.4 | 0 | 0 | 0 | 0 | 116.4 | F1546 G1547 | F1546-V1549 CarbonylContact C-O 3.05Å; F1546-V1549 VanDerWaalsContact C-O 3.27Å; F1546-V1549 HydrophobicContact CD1-CB 4.26Å; G1547-V1549 VanDerWaalsContact C-N 3.26Å; G1547-V1549 PolarHBondContact N-O 3.41Å; G1547-V1549 VanDerWaalsContact N-O 3.09Å; G1547-V1549 PolarHBondContact O-N 3.4Å; G1547-V1549 VanDerWaalsContact O-N 3.11Å |
| 1550 | K | 30.9 | Very low | 32.4 | Very low | 114 Ų | 114 | 92.1 Ų | 92.1 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -49.1 | 127.7 | 162 | 168 | 179.6 | 175.4 | 177.6 | 0 | 111.1 | D1597 | K1550-D1597 IonicContact NZ-OD2 2.74Å; K1550-D1597 PolarHBondContact NZ-OD2 3.29Å |
| 1551 | Q | 25 | Very low | 31.9 | Very low | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | trans | 68.9 | 122.2 | 165.6 | -68.2 | 159.9 | -22.1 | 0 | 0 | 115.4 | F1546 | F1546-Q1551 WeakPolarHBondContact CD1-O 3.48Å; F1546-Q1551 VanDerWaalsContact CE1-O 3.31Å; F1546-Q1551 WeakPolarHBondContact CE1-O 3.27Å; F1546-Q1551 VanDerWaalsContact CG-O 3.23Å; F1546-Q1551 WeakPolarHBondContact CG-O 3.45Å | ||
| 1552 | N | 32.2 | Very low | 31.4 | Very low | 103 Ų | 103 | 92.1 Ų | 92.1 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | cis | -151.7 | 131.5 | 33 | -93.8 | -40.4 | 0 | 0 | 0 | 117.9 | L1542 | L1542-N1552 WeakPolarHBondContact CD1-O 3.29Å; L1542-N1552 WeakPolarHBondContact CD2-O 3.5Å | ||
| 1553 | A | 35.6 | Very low | 31.2 | Very low | 50 Ų | 50 | 96.1 Ų | 96.1 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | 92.8 | 117.6 | 121.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | L1542 | L1542-A1553 WeakPolarHBondContact CB-O 3.45Å; L1542-A1553 WeakPolarHBondContact CD1-O 3.29Å; L1542-A1553 WeakPolarHBondContact CG-O 3.49Å | |||
| 1554 | H | 35.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | trans | 87.3 | 93.4 | 166.6 | -57.7 | -70 | 0 | 0 | 0 | 118.4 | S1540 L1542 | S1540-H1554 CarbonylContact C-O 3.5Å; L1542-H1554 VanDerWaalsContact CA-O 3.27Å; L1542-H1554 WeakPolarHBondContact CA-O 3.43Å; L1542-H1554 WeakPolarHBondContact CB-O 3.21Å; L1542-H1554 PolarHBondContact N-O 2.73Å | ||
| 1555 | H | 35.3 | Very low | 30.2 | Very low | 92 Ų | 92 | 95.9 Ų | 95.9 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | 74.9 | 173.4 | 122.7 | -89.8 | -135.4 | 0 | 0 | 0 | 118.2 | A1539 L1542 A1543 | A1539-H1555 WeakPolarHBondContact O-CB 3.23Å; L1542-H1555 PolarHBondContact N-O 3.41Å; A1543-H1555 PolarHBondContact N-O 3.27Å | |||
| 1556 | P | 34 | Very low | 29.7 | Very low | 79 Ų | 79 | 96.9 Ų | 96.9 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | cis | -132.9 | 162.4 | 15.4 | 42.4 | -25.8 | 0 | 0 | 0 | 121 | ||||
| 1557 | N | 30.6 | Very low | 29.3 | Very low | 86 Ų | 86 | 95.2 Ų | 95.2 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | trans | -77.3 | 134.6 | 162.7 | -48.4 | -19.7 | 0 | 0 | 0 | 110.9 | ||||
| 1558 | V | 32.1 | Very low | 29.1 | Very low | 90 Ų | 90 | 98.1 Ų | 98.1 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | -143.7 | 114.6 | 95 | -178.3 | 0 | 0 | 0 | 0 | 103.8 | |||||
| 1559 | N | 26.3 | Very low | 29.2 | Very low | 73 Ų | 73 | 99.7 Ų | 99.7 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | 54.1 | 152.4 | 88.5 | -32.1 | -22.2 | 0 | 0 | 0 | 112.1 | F1529 Q1530 S1536 | F1529-N1559 CarbonylContact O-C 3.41Å; Q1530-N1559 WeakPolarHBondContact CG-O 3.22Å; S1536-N1559 PolarHBondContact O-ND2 2.67Å | |||
| 1560 | S | 29.3 | Very low | 29.2 | Very low | 27 Ų | 27 | 104.1 Ų | 104.1 | 19% | 0.189 | 56% | 0.559 | C | S | . | * | cis | -158 | 91.8 | 15.8 | 35 | 0 | 0 | 0 | 0 | 110.8 | F1529 Q1530 G1531 K1532 G1533 | F1529-S1560 CarbonylContact C-O 3.37Å; F1529-S1560 VanDerWaalsContact C-O 3.24Å; F1529-S1560 CarbonylContact O-C 2.78Å; F1529-S1560 WeakPolarHBondContact O-CA 3.07Å; F1529-S1560 PolarHBondContact O-N 3.27Å; Q1530-S1560 CarbonylContact C-O 3.58Å; Q1530-S1560 WeakPolarHBondContact CA-O 3.36Å; Q1530-S1560 WeakPolarHBondContact CA-OG 3.49Å; Q1530-S1560 PolarHBondContact N-O 2.66Å; Q1530-S1560 PolarHBondContact O-OG 3.32Å; G1531-S1560 PolarHBondContact N-O 2.89Å; K1532-S1560 WeakPolarHBondContact O-CB 3.36Å; G1533-S1560 WeakPolarHBondContact O-CB 3.28Å | ||
| 1561 | E | 25.7 | Very low | 29.2 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | trans | -15.3 | 140.4 | 175.7 | -74.5 | 163.4 | 114.2 | 0 | 0 | 120.9 | F1529 K1532 | F1529-E1561 HydrophobicContact CD1-CG 3.62Å; F1529-E1561 HydrophobicContact CE1-CG 3.69Å; F1529-E1561 PolarHBondContact O-N 3.03Å; K1532-E1561 WeakPolarHBondContact CA-O 3.45Å; K1532-E1561 WeakPolarHBondContact CB-O 3.48Å; K1532-E1561 PolarHBondContact N-O 3Å | ||
| 1562 | T | 25 | Very low | 29.1 | Very low | 66 Ų | 66 | 109.7 Ų | 109.7 | 41% | 0.405 | 59% | 0.589 | S | S | . | * | trans | 67.6 | -165.7 | 153.3 | 66.9 | 0 | 0 | 0 | 0 | 119.2 | A1528 G1531 K1532 | A1528-T1562 WeakPolarHBondContact O-CA 3.31Å; A1528-T1562 PolarHBondContact O-N 3.45Å; G1531-T1562 CarbonylContact C-O 3.54Å; G1531-T1562 WeakPolarHBondContact CA-O 3.43Å; G1531-T1562 PolarHBondContact N-O 2.89Å; K1532-T1562 VanDerWaalsContact CD-OG1 3.26Å; K1532-T1562 WeakPolarHBondContact CD-OG1 3.49Å; K1532-T1562 WeakPolarHBondContact CG-OG1 3.16Å; K1532-T1562 PolarHBondContact N-O 2.96Å | ||
| 1563 | E | 26.4 | Very low | 29 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | trans | 86.9 | 116.2 | -174.1 | -126 | 165.6 | -117.9 | 0 | 0 | 114.3 | K1532 | K1532-E1563 HydrophobicContact CG-CB 3.64Å; K1532-E1563 HydrophobicContact CG-CG 3.68Å; K1532-E1563 WeakPolarHBondContact CG-OE1 3.5Å; K1532-E1563 VanDerWaalsContact NZ-N 3.13Å | ||
| 1564 | D | 29.4 | Very low | 28.8 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | cis | -158.5 | 177.4 | -16.4 | -113.8 | -14 | 0 | 0 | 0 | 108.7 | K1532 R1566 | K1532-D1564 VanDerWaalsContact NZ-CG 3.27Å; K1532-D1564 IonicContact NZ-OD1 3.97Å; K1532-D1564 PolarHBondContact NZ-OD1 2.9Å; K1532-D1564 IonicContact NZ-OD2 2.61Å; K1532-D1564 PolarHBondContact NZ-OD2 3.2Å; D1564-R1566 VanDerWaalsContact CG-NE 3.35Å; D1564-R1566 IonicContact OD1-CZ 2.74Å; D1564-R1566 IonicContact OD1-NE 2.82Å; D1564-R1566 PolarHBondContact OD1-NE 3.42Å; D1564-R1566 IonicContact OD1-NH2 3.55Å; D1564-R1566 PolarHBondContact OD1-NH2 3.36Å; D1564-R1566 IonicContact OD2-CZ 3.97Å; D1564-R1566 IonicContact OD2-NE 2.8Å; D1564-R1566 PolarHBondContact OD2-NE 3.49Å; D1564-R1566 IonicContact OD2-NH2 2.8Å; D1564-R1566 PolarHBondContact OD2-NH2 2.8Å | ||
| 1565 | E | 30.3 | Very low | 28.5 | Very low | 158 Ų | 158 | 111.4 Ų | 111.4 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | cis | -131.1 | 168.8 | 10 | -95.2 | -143.2 | 97.6 | 0 | 0 | 110.7 | ||||
| 1566 | R | 24.3 | Very low | 28.1 | Very low | 168 Ų | 168 | 113.5 Ų | 113.5 | 63% | 0.634 | 63% | 0.627 | S | S | * | * | cis | 114.9 | -11.7 | 5.1 | 177.7 | -173.1 | -56.1 | -58.8 | -29.7 | 117.5 | K1532 D1564 | K1532-R1566 VanDerWaalsContact CE-NH2 3.28Å; D1564-R1566 VanDerWaalsContact CG-NE 3.35Å; D1564-R1566 IonicContact OD1-CZ 2.74Å; D1564-R1566 IonicContact OD1-NE 2.82Å; D1564-R1566 PolarHBondContact OD1-NE 3.42Å; D1564-R1566 IonicContact OD1-NH2 3.55Å; D1564-R1566 PolarHBondContact OD1-NH2 3.36Å; D1564-R1566 IonicContact OD2-CZ 3.97Å; D1564-R1566 IonicContact OD2-NE 2.8Å; D1564-R1566 PolarHBondContact OD2-NE 3.49Å; D1564-R1566 IonicContact OD2-NH2 2.8Å; D1564-R1566 PolarHBondContact OD2-NH2 2.8Å | ||
| 1567 | G | 25.3 | Very low | 27.9 | Very low | 68 Ų | 68 | 117.6 Ų | 117.6 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -160 | 161.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1568 | S | 25.5 | Very low | 27.7 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 84% | 0.839 | 65% | 0.649 | S | S | * | * | cis | -147.7 | -168.8 | 2.6 | 68.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1569 | P | 28.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | -116.6 | 162.4 | -110.5 | 39.9 | -26.1 | 0 | 0 | 0 | 116 | |||||
| 1570 | E | 26.8 | Very low | 27.6 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 94% | 0.935 | 67% | 0.671 | S | S | * | * | trans | -143.8 | 175.6 | 142.6 | -137.4 | 172.9 | -147.9 | 0 | 0 | 112.6 | ||||
| 1571 | F | 29.9 | Very low | 27.9 | Very low | 188 Ų | 188 | 126 Ų | 126 | 83% | 0.825 | 69% | 0.689 | S | S | * | * | trans | -104.2 | 161 | -132.7 | -153.1 | -107.7 | 0 | 0 | 0 | 114.9 | G1573 | F1571-G1573 PolarHBondContact O-N 3.26Š| ||
| 1572 | N | 23.2 | Very low | 28.5 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -58.5 | 123.9 | 172.1 | -69.9 | -60.1 | 0 | 0 | 0 | 111.1 | ||||
| 1573 | G | 30.2 | Very low | 29.1 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -112.9 | 0.3 | -162.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | F1571 | F1571-G1573 PolarHBondContact O-N 3.26Š| ||
| 1574 | I | 31.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | trans | 67.1 | 132 | 172.5 | -66.8 | 171.4 | 0 | 0 | 0 | 115 | ||||
| 1575 | S | 28.7 | Very low | 29.4 | Very low | 81 Ų | 81 | 134 Ų | 134 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | cis | -168.5 | 173.4 | -11.4 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1576 | E | 27.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | trans | 69.4 | 135.7 | 144.8 | -90.9 | 153.2 | -101.8 | 0 | 0 | 122.9 | ||||
| 1577 | K | 29.5 | Very low | 29.6 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 79.2 | 106.4 | 156.2 | -64.8 | 147.7 | -173.6 | 145.2 | 0 | 115.4 | ||||
| 1578 | T | 27.2 | Very low | 29.9 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | cis | -158.2 | 139.6 | 5.8 | -17.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1579 | T | 27.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 54.9 | 97.9 | 150.1 | 40 | 0 | 0 | 0 | 0 | 120 | ||||
| 1580 | S | 29.3 | Very low | 30.7 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | 84.5 | 146.7 | 104.7 | 74.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1581 | E | 35.6 | Very low | 31 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 57% | 0.57 | 69% | 0.686 | S | S | * | * | trans | 71.9 | 123.1 | 171.3 | -55.8 | -117.3 | 89.1 | 0 | 0 | 113 | K1583 | E1581-K1583 IonicContact OE1-NZ 2.9Å; E1581-K1583 PolarHBondContact OE1-NZ 2.91Å; E1581-K1583 IonicContact OE2-NZ 3.66Å; E1581-K1583 PolarHBondContact OE2-NZ 3.12Å | ||
| 1582 | I | 36.8 | Very low | 31 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | cis | 64.9 | 146.5 | 43.1 | -47 | 163.8 | 0 | 0 | 0 | 110.5 | ||||
| 1583 | K | 38.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 60% | 0.596 | 68% | 0.684 | S | S | * | * | trans | 75.8 | 111.1 | -169.3 | -60.4 | 101.8 | 171.4 | -178.4 | 0 | 112.1 | E1581 | E1581-K1583 IonicContact OE1-NZ 2.9Å; E1581-K1583 PolarHBondContact OE1-NZ 2.91Å; E1581-K1583 IonicContact OE2-NZ 3.66Å; E1581-K1583 PolarHBondContact OE2-NZ 3.12Å | ||
| 1584 | N | 33.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | 69.9 | 122.3 | 63.9 | -83.1 | -80.7 | 0 | 0 | 0 | 113 | |||||
| 1585 | R | 29.4 | Very low | 31 | Very low | 181 Ų | 181 | 135 Ų | 135 | 68% | 0.683 | 67% | 0.671 | S | S | * | * | trans | 69.1 | 120.7 | 138.7 | -59.6 | 163.2 | -172.2 | -174.9 | -11.1 | 114.8 | K1587 | R1585-K1587 PolarHBondContact O-N 3.36Å; R1585-K1587 VanDerWaalsContact O-N 3.16Å | ||
| 1586 | R | 28 | Very low | 31.3 | Very low | 239 Ų | 239 | 138.6 Ų | 138.6 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | 37.4 | 71.4 | 83.1 | -70.9 | -173 | 175.1 | 177.3 | -0.8 | 112 | |||||
| 1587 | K | 29.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 63% | 0.63 | 68% | 0.681 | S | S | * | * | trans | -163.1 | 137.4 | 159.3 | -106.2 | 142 | -175.7 | -171 | 0 | 112 | R1585 | R1585-K1587 PolarHBondContact O-N 3.36Å; R1585-K1587 VanDerWaalsContact O-N 3.16Å | ||
| 1588 | S | 32.4 | Very low | 31.5 | Very low | 54 Ų | 54 | 133.3 Ų | 133.3 | 38% | 0.378 | 67% | 0.673 | S | S | . | * | cis | 178.5 | -179 | -15.6 | 48 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1589 | R | 35.3 | Very low | 31.5 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | trans | 77.5 | 145.3 | 153.1 | -67.7 | 157.7 | -175.3 | 162.1 | -4.1 | 114.4 | ||||
| 1590 | N | 35.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | cis | -143.9 | 159.4 | 11.5 | -133.3 | -5.2 | 0 | 0 | 0 | 116.1 | ||||
| 1591 | S | 32.5 | Very low | 31.2 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | 68.6 | 115.2 | 144.4 | 60.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1592 | I | 31 | Very low | 30.6 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 75.9 | 111.6 | 143.2 | -53.8 | 156.7 | 0 | 0 | 0 | 114.8 | ||
| 1593 | L | 28.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | S | Bend | cis | -132.9 | 151.5 | 5 | -158.1 | 72.9 | 0 | 0 | 0 | 110.7 | ||
| 1594 | D | 26.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 53.1 | 87 | 176.9 | -69.8 | -43.5 | 0 | 0 | 0 | 120 | ||
| 1595 | Q | 28.7 | Very low | 29 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 78 | 74 | 138.4 | -50.3 | -169.9 | 31.7 | 0 | 0 | 119.3 | ||
| 1596 | N | 34.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | trans | 79 | 49 | 130.9 | -54 | -37.8 | 0 | 0 | 0 | 120.7 | ||||
| 1597 | D | 29.6 | Very low | 28.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | trans | -76.4 | -179.6 | 149 | -82.7 | -64.5 | 0 | 0 | 0 | 111.5 | K1550 | K1550-D1597 IonicContact NZ-OD2 2.74Å; K1550-D1597 PolarHBondContact NZ-OD2 3.29Å | ||
| 1598 | P | 31.1 | Very low | 28.3 | Very low | 84 Ų | 84 | 128 Ų | 128 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | -131.6 | -132.5 | -59.9 | 39.8 | -21.7 | 0 | 0 | 0 | 110.1 | |||||
| 1599 | N | 27.6 | Very low | 28 | Very low | 105 Ų | 105 | 134 Ų | 134 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | trans | 83.9 | 131.8 | 152.4 | -76.2 | -33.2 | 0 | 0 | 0 | 122.9 | ||||
| 1600 | R | 25.3 | Very low | 27.4 | Very low | 216 Ų | 216 | 129.4 Ų | 129.4 | 82% | 0.815 | 69% | 0.686 | S | S | * | * | trans | 72.4 | 157.4 | 136.4 | -72.7 | -176.5 | 161.6 | -155.9 | -6.4 | 120.2 | ||||
| 1601 | L | 24.7 | Very low | 27 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | cis | -176.4 | 162.2 | -26.5 | -110.6 | 179.6 | 0 | 0 | 0 | 109.1 | ||||
| 1602 | L | 25 | Very low | 26.6 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | trans | 71.6 | 146.6 | 146.3 | -77.1 | 161.5 | 0 | 0 | 0 | 122.3 | ||||
| 1603 | T | 25.8 | Very low | 26.5 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | trans | 76.1 | 139.4 | 163 | 73.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1604 | S | 24.4 | Very low | 26.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | cis | -168.9 | 148.2 | 3.5 | 129.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1605 | R | 24.7 | Very low | 26.3 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | trans | 64.7 | 162.1 | 164.9 | -69.7 | 167.6 | 151.6 | 115.5 | -8.1 | 114.3 | N1704 | R1605-N1704 PolarHBondContact O-ND2 2.74Š| ||
| 1606 | G | 25.8 | Very low | 26.4 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | cis | 101.1 | 127.4 | 17.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1607 | S | 23.7 | Very low | 26.1 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | cis | -149.4 | 179.2 | 15.5 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1608 | E | 22.6 | Very low | 26 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | trans | 27.3 | 133 | 146.5 | -63.2 | 153.1 | 146.3 | 0 | 0 | 119.4 | ||||
| 1609 | F | 24.8 | Very low | 25.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | -173.9 | 160.7 | 68.4 | -158.1 | -131 | 0 | 0 | 0 | 111 | |||||
| 1610 | T | 23.6 | Very low | 25.5 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | trans | 24.7 | 143.4 | 155.6 | 55.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1611 | E | 27.5 | Very low | 26 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | cis | -170.1 | -174.5 | -13.7 | -156.4 | 172.9 | -158.4 | 0 | 0 | 107.7 | ||||
| 1612 | Q | 23.5 | Very low | 26.1 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 62.4 | 70.7 | 169.7 | -57.6 | -174.9 | 12.8 | 0 | 0 | 115.1 | ||||
| 1613 | H | 27.6 | Very low | 26 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | 67.4 | 96.4 | 76 | -62.7 | -69.1 | 0 | 0 | 0 | 116.7 | Y1615 | H1613-Y1615 AromaticContact ND1-CD2 3.82Š| |||
| 1614 | L | 26.4 | Very low | 26 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | -152.7 | 101.2 | 121.4 | -154.8 | 65.4 | 0 | 0 | 0 | 109.1 | |||||
| 1615 | Y | 26.2 | Very low | 26.1 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -94.5 | 137.6 | -153.2 | -93.1 | -88.9 | 0 | 0 | 0 | 116.3 | H1613 | H1613-Y1615 AromaticContact ND1-CD2 3.82Š| ||
| 1616 | P | 30.1 | Very low | 25.9 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | trans | -131.5 | -94.1 | -160.6 | 33.8 | -8.6 | 0 | 0 | 0 | 111.1 | ||||
| 1617 | A | 28.5 | Very low | 25.8 | Very low | 69 Ų | 69 | 137 Ų | 137 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | trans | 67.9 | 114.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1618 | I | 27.3 | Very low | 25.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | 68.1 | 109.3 | 56.4 | -55.6 | 163.9 | 0 | 0 | 0 | 109.2 | |||||
| 1619 | S | 22.9 | Very low | 26 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | 62.8 | 148.7 | -147.1 | 88 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1620 | Q | 25.4 | Very low | 26.1 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | cis | -123.4 | 81.3 | 1 | -64.9 | 176.6 | 3.6 | 0 | 0 | 109.4 | K1622 | Q1620-K1622 PolarHBondContact O-N 3.21Å; Q1620-K1622 VanDerWaalsContact O-N 3.13Å | ||
| 1621 | S | 36 | Very low | 26 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -71.2 | 101.9 | -174.2 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1622 | K | 25.7 | Very low | 26 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -120.2 | 131.3 | -171.2 | -158.5 | 157.2 | -172.2 | 163.3 | 0 | 112 | Q1620 | Q1620-K1622 PolarHBondContact O-N 3.21Å; Q1620-K1622 VanDerWaalsContact O-N 3.13Å | ||
| 1623 | K | 24.6 | Very low | 26 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 41% | 0.409 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 76.2 | 68.8 | 171.5 | -66.7 | 174.9 | 176.3 | -179.6 | 0 | 119.7 | E1626 P1876 | K1623-E1626 WeakPolarHBondContact CE-OE2 3.4Å; K1623-P1876 PolarHBondContact NZ-O 3.27Å |
| 1624 | R | 25.1 | Very low | 25.8 | Very low | 195 Ų | 195 | 135 Ų | 135 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | S | Bend | -145.1 | 40.9 | 127.9 | -151 | -179.1 | -176 | 175.5 | 0.7 | 114.7 | I1872 R1873 | R1624-I1872 PolarHBondContact NH2-O 3.35Å; R1624-R1873 PolarHBondContact NE-O 2.92Å | |
| 1625 | S | 26.3 | Very low | 26 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | -170.8 | 105.9 | 150.5 | -170.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1626 | E | 21.4 | Very low | 26 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 45% | 0.453 | 70% | 0.697 | S | S | . | * | trans | -142.4 | 19.9 | 176.5 | -156.3 | 170.4 | -149.2 | 0 | 0 | 111.4 | K1623 E1875 | K1623-E1626 WeakPolarHBondContact CE-OE2 3.4Å; E1626-E1875 HydrophobicContact CB-CB 3.91Å; E1626-E1875 HydrophobicContact CB-CG 4.28Å | ||
| 1627 | M | 23.4 | Very low | 26 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 60% | 0.596 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -102.4 | 87.5 | 167 | -162.8 | -177.4 | 78.3 | 0 | 0 | 106.9 | E1875 | M1627-E1875 HydrophobicContact CB-CG 3.88Š|
| 1628 | N | 25.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 77.5 | 132.3 | -170.8 | -55 | 10.6 | 0 | 0 | 0 | 112.5 | ||
| 1629 | E | 24.8 | Very low | 25.8 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 69% | 0.693 | S | S | * | * | cis | -150.6 | 160.6 | 7.2 | -114.1 | 156.1 | 153.5 | 0 | 0 | 112.5 | ||||
| 1630 | M | 25.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | 26.4 | 136.6 | 153.1 | -57.6 | -179.6 | -73.8 | 0 | 0 | 120.4 | ||||
| 1631 | D | 23 | Very low | 25.8 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | -157.5 | 140.2 | 70.1 | -81.8 | -41.5 | 0 | 0 | 0 | 110.7 | |||||
| 1632 | Q | 26 | Very low | 25.2 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | 65.1 | 77.9 | 62.3 | -66.3 | -156.1 | 44.1 | 0 | 0 | 115.4 | |||||
| 1633 | T | 24.5 | Very low | 25.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -163.2 | 142.6 | 147.7 | 0.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1634 | I | 23.1 | Very low | 25.1 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 64.8 | 120.4 | 163.8 | -52.1 | 152.8 | 0 | 0 | 0 | 114.9 | ||
| 1635 | F | 31.1 | Very low | 25.1 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 80% | 0.803 | 70% | 0.7 | S | S | * | * | cis | -101 | 119.5 | 7.3 | -105.8 | -93.2 | 0 | 0 | 0 | 113.3 | ||||
| 1636 | N | 26.5 | Very low | 25 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -76.7 | 124.6 | 149.2 | -103.5 | -47.4 | 0 | 0 | 0 | 108.1 | ||||
| 1637 | N | 29.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | trans | -163.3 | 117.6 | 144.4 | -107.3 | -48.9 | 0 | 0 | 0 | 112.6 | ||||
| 1638 | K | 26.8 | Very low | 25.4 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | trans | 67.9 | 120.7 | 141.8 | -69.6 | 172.8 | -176.1 | 179.8 | 0 | 119.4 | ||||
| 1639 | S | 24.9 | Very low | 25.4 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | 33 | 150.3 | 119 | 68.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 1640 | Q | 24.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | cis | -161.6 | 156.1 | 34.8 | -141.3 | 141.1 | -45.5 | 0 | 0 | 110.8 | ||||
| 1641 | Y | 23.8 | Very low | 25.5 | Very low | 203 Ų | 203 | 142 Ų | 142 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | 18.1 | 122.1 | 144.9 | -65.1 | -122.3 | 0 | 0 | 0 | 117.6 | ||||
| 1642 | L | 23.5 | Very low | 25.7 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | 65.9 | 131.2 | 81.4 | -145.5 | 170.6 | 0 | 0 | 0 | 112.3 | |||||
| 1643 | I | 23.3 | Very low | 25.8 | Very low | 143 Ų | 143 | 140 Ų | 140 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | 111.1 | 110.9 | 169.7 | -62.9 | 176.9 | 0 | 0 | 0 | 115.9 | ||||
| 1644 | H | 24.7 | Very low | 26 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | 67.1 | 147.2 | 146.6 | -83.6 | -112.7 | 0 | 0 | 0 | 124.4 | ||||
| 1645 | D | 24.8 | Very low | 26.2 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | 56.5 | 113.4 | 135.8 | -59.8 | -4 | 0 | 0 | 0 | 119.3 | ||||
| 1646 | E | 24.7 | Very low | 26 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | 89.2 | 142.4 | 71.6 | -85 | -146.6 | 130.4 | 0 | 0 | 112.6 | |||||
| 1647 | N | 25.8 | Very low | 26 | Very low | 107 Ų | 107 | 143 Ų | 143 | 57% | 0.572 | 70% | 0.697 | S | S | * | * | trans | 65.2 | 156.1 | 153.2 | -72.8 | -46.2 | 0 | 0 | 0 | 115.7 | ||||
| 1648 | K | 27.4 | Very low | 25.8 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 68% | 0.683 | 70% | 0.696 | S | S | * | * | cis | -162.9 | 131.7 | -6.7 | -125.5 | 164 | -170.5 | 165.9 | 0 | 109.5 | ||||
| 1649 | T | 25.2 | Very low | 25.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | 57.5 | 170.7 | 138.5 | 63.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1650 | I | 26.2 | Very low | 25.8 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 68% | 0.677 | 70% | 0.695 | S | S | * | * | cis | -160 | 152.9 | 0.8 | -134.3 | 162.3 | 0 | 0 | 0 | 110.5 | ||||
| 1651 | T | 26.4 | Very low | 25.7 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 68% | 0.681 | 70% | 0.698 | S | S | * | * | trans | 58.8 | 154.9 | 157.9 | 57.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1652 | D | 27.6 | Very low | 26.5 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | cis | -161.5 | 162.8 | -18 | -120.9 | -15.4 | 0 | 0 | 0 | 114.2 | ||||
| 1653 | Q | 27.5 | Very low | 26.9 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 61% | 0.612 | 69% | 0.689 | S | S | * | * | trans | 52.1 | 143.9 | 148.1 | -60.6 | 166.5 | 45.4 | 0 | 0 | 120.3 | ||||
| 1654 | Y | 27.8 | Very low | 27.1 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | cis | -125.4 | 135.4 | 8.3 | -90.3 | -104.5 | 0 | 0 | 0 | 110.1 | ||||
| 1655 | Q | 28 | Very low | 27.3 | Very low | 135 Ų | 135 | 139 Ų | 139 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | 56.1 | 139.1 | 89.7 | -58.5 | -173.6 | -14.2 | 0 | 0 | 116.6 | |||||
| 1656 | K | 26.5 | Very low | 27.6 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | cis | -100.6 | 113.8 | 2.3 | -82.6 | 176.8 | 175.5 | 173.8 | 0 | 111.2 | ||||
| 1657 | H | 25.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | 84.9 | 76.3 | 88.9 | -85.1 | -64.8 | 0 | 0 | 0 | 115 | |||||
| 1658 | S | 26 | Very low | 27.4 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | trans | -94.4 | 150.5 | 165.3 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1659 | T | 24.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | -151 | 119.9 | 160.9 | 48.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1660 | H | 26.3 | Very low | 27.4 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -147.5 | 150.5 | -15.6 | -77.1 | -80.4 | 0 | 0 | 0 | 107.1 | ||
| 1661 | F | 24.1 | Very low | 27.3 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | cis | -138.5 | 150.7 | -6.8 | -97.1 | -62.3 | 0 | 0 | 0 | 109.1 | ||||
| 1662 | I | 40.8 | Very low | 27.6 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | -150.7 | 133.6 | -176.3 | -55.7 | 177.4 | 0 | 0 | 0 | 103.7 | ||||
| 1663 | P | 30.3 | Very low | 28.6 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | -155.7 | 179.3 | 61.7 | 44.7 | -23.8 | 0 | 0 | 0 | 119.2 | |||||
| 1664 | N | 28.1 | Very low | 29 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 36.2 | 137.4 | 141.4 | -66 | -19.1 | 0 | 0 | 0 | 123.7 | ||||
| 1665 | K | 28.4 | Very low | 28.8 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | 58.5 | 118.3 | 164.3 | -69.8 | -172.9 | 176.9 | -175.1 | 0 | 117 | ||||
| 1666 | R | 31.3 | Very low | 29 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 49% | 0.487 | 71% | 0.713 | S | S | . | * | cis | -162.1 | 41.6 | -17.8 | -142.4 | 175.9 | -169.6 | 174.6 | -3.7 | 111 | E1692 N1882 | R1666-E1692 WeakPolarHBondContact CD-OE1 3.37Å; R1666-E1692 IonicContact CZ-OE1 3.3Å; R1666-E1692 IonicContact NE-OE1 3.99Å; R1666-E1692 IonicContact NH1-OE1 3.8Å; R1666-E1692 PolarHBondContact NH1-OE1 3.05Å; R1666-E1692 IonicContact NH1-OE2 2.67Å; R1666-E1692 PolarHBondContact NH1-OE2 2.95Å; R1666-N1882 PolarHBondContact NH1-OD1 2.88Å; R1666-N1882 PolarHBondContact NH2-OD1 3.29Å | ||
| 1667 | Q | 23.5 | Very low | 29.3 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | -119.5 | 166.9 | -142.3 | -79.9 | 156.2 | -19.2 | 0 | 0 | 116.4 | ||||
| 1668 | Q | 22.8 | Very low | 29.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | trans | -60.3 | 145.4 | 176.9 | -63.7 | 128.6 | -42.3 | 0 | 0 | 115 | Y1690 | Q1668-Y1690 WeakPolarHBondContact CG-OH 3.45Å; Q1668-Y1690 PolarHBondContact OE1-OH 3.42Å | ||
| 1669 | A | 25 | Very low | 29.8 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | 68.6 | 118.6 | 123.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1670 | Y | 27.9 | Very low | 30.3 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | 69.6 | 178.2 | 122.8 | -88.8 | -88.1 | 0 | 0 | 0 | 122.9 | |||||
| 1671 | Y | 24.8 | Very low | 30.5 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | trans | 76.3 | 157.8 | -176 | -58.8 | -76.9 | 0 | 0 | 0 | 115.7 | ||||
| 1672 | G | 32.1 | Very low | 31.1 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | cis | -174.5 | -161.4 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1673 | R | 48.3 | Very low | 30.5 | Very low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 71% | 0.707 | S | S | * | * | cis | -170.1 | 116.7 | -14.5 | 175.8 | -152 | -65.3 | 170.2 | -1.7 | 107.4 | ||||
| 1674 | N | 36 | Very low | 30.4 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -155.8 | 147.5 | 160.4 | -145.3 | -25.8 | 0 | 0 | 0 | 114.6 | R1676 | N1674-R1676 PolarHBondContact O-N 2.83Å; N1674-R1676 PolarHBondContact OD1-NH2 3.14Å | ||
| 1675 | S | 25.2 | Very low | 30.4 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | trans | -22.6 | -36.4 | -145.2 | -29.2 | 0 | 0 | 0 | 0 | 121.1 | C1677 | S1675-C1677 WeakPolarHBondContact O-CA 3.43Å; S1675-C1677 PolarHBondContact O-SG 3.39Å | ||
| 1676 | R | 32 | Very low | 30.4 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | -92.5 | 126 | -134.7 | -59.8 | 92.1 | -140.1 | -161 | 7.1 | 114 | N1674 | N1674-R1676 PolarHBondContact O-N 2.83Å; N1674-R1676 PolarHBondContact OD1-NH2 3.14Å | ||
| 1677 | C | 32.3 | Very low | 30.1 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | -125.5 | 128.5 | -62.1 | -92 | 0 | 0 | 0 | 0 | 106.9 | S1675 | S1675-C1677 WeakPolarHBondContact O-CA 3.43Å; S1675-C1677 PolarHBondContact O-SG 3.39Å | |||
| 1678 | Y | 27.3 | Very low | 30.3 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | trans | 59.9 | -167.7 | 149 | -77.9 | -119.4 | 0 | 0 | 0 | 116.8 | ||||
| 1679 | Q | 35 | Very low | 30.4 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | 51.9 | 103.9 | 142.9 | -74.9 | 153.3 | -16.6 | 0 | 0 | 116.9 | ||||
| 1680 | H | 34.8 | Very low | 30.3 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | cis | -145.9 | 141.3 | 10.7 | -83.1 | -84.3 | 0 | 0 | 0 | 109.5 | ||||
| 1681 | H | 31.9 | Very low | 30.1 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | cis | 60.8 | 76.7 | 14.6 | -142.7 | -53.4 | 0 | 0 | 0 | 112.3 | ||||
| 1682 | P | 35.4 | Very low | 30 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | -126.5 | 174.9 | 59.8 | 14.5 | 9.4 | 0 | 0 | 0 | 113.4 | |||||
| 1683 | K | 28.6 | Very low | 29.7 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | cis | -165.6 | 145.9 | -11.4 | -111.2 | 162.1 | -175 | 178.8 | 0 | 107.6 | ||||
| 1684 | H | 28.2 | Very low | 28.9 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | trans | 49 | 138.1 | 135.2 | -69.1 | -131.2 | 0 | 0 | 0 | 119.8 | ||||
| 1685 | L | 26.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | cis | -168.8 | 150.2 | 12 | -155.2 | 50.5 | 0 | 0 | 0 | 112.9 | ||||
| 1686 | K | 28.3 | Very low | 28.4 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 70% | 0.7 | 61% | 0.611 | S | S | * | * | trans | 66 | 135.7 | 155.9 | -80 | 165.3 | -177.8 | -171.7 | 0 | 119 | ||||
| 1687 | D | 26.5 | Very low | 28 | Very low | 124 Ų | 124 | 123 Ų | 123 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | cis | 103.6 | 141.6 | 32.2 | -70.3 | 6.6 | 0 | 0 | 0 | 110 | ||||
| 1688 | N | 27.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 64% | 0.642 | 59% | 0.594 | S | S | * | * | cis | -162.7 | 124.2 | -3.2 | -110.1 | -11.3 | 0 | 0 | 0 | 110.3 | ||||
| 1689 | T | 25.2 | Very low | 27.5 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | 77.4 | 124.1 | 104.2 | 61.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1690 | Y | 22.1 | Very low | 27 | Very low | 125 Ų | 125 | 120 Ų | 120 | 49% | 0.49 | 59% | 0.593 | S | S | . | * | trans | 53.7 | -177.9 | 154.1 | -58.8 | -66 | 0 | 0 | 0 | 116.5 | Q1668 | Q1668-Y1690 WeakPolarHBondContact CG-OH 3.45Å; Q1668-Y1690 PolarHBondContact OE1-OH 3.42Å | ||
| 1691 | H | 25 | Very low | 26.5 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | cis | -131.5 | 134.3 | -13.1 | -117.1 | -81.5 | 0 | 0 | 0 | 104 | ||||
| 1692 | E | 22.3 | Very low | 26.2 | Very low | 72 Ų | 72 | 118.3 Ų | 118.3 | 34% | 0.336 | 59% | 0.588 | S | S | . | * | 59 | 103.8 | 102 | -70.6 | -165.3 | 173.9 | 0 | 0 | 116.4 | R1666 N1882 | R1666-E1692 WeakPolarHBondContact CD-OE1 3.37Å; R1666-E1692 IonicContact CZ-OE1 3.3Å; R1666-E1692 IonicContact NE-OE1 3.99Å; R1666-E1692 IonicContact NH1-OE1 3.8Å; R1666-E1692 PolarHBondContact NH1-OE1 3.05Å; R1666-E1692 IonicContact NH1-OE2 2.67Å; R1666-E1692 PolarHBondContact NH1-OE2 2.95Å; E1692-N1882 VanDerWaalsContact CD-ND2 3.27Å; E1692-N1882 HydrophobicContact CG-CB 4.35Å; E1692-N1882 WeakPolarHBondContact CG-ND2 3.21Å; E1692-N1882 PolarHBondContact OE1-ND2 3.08Å | |||
| 1693 | I | 24.9 | Very low | 25.7 | Very low | 78 Ų | 78 | 118 Ų | 118 | 40% | 0.4 | 58% | 0.584 | S | S | . | * | 64.5 | 166.1 | 123.3 | 40.7 | 151 | 0 | 0 | 0 | 124.3 | N1882 M1883 P1884 | I1693-N1882 HydrophobicContact CB-CB 4.34Å; I1693-N1882 HydrophobicContact CD1-CB 3.77Å; I1693-N1882 HydrophobicContact CG1-CB 3.9Å; I1693-N1882 HydrophobicContact CG2-CB 3.56Å; I1693-N1882 WeakPolarHBondContact CG2-O 3.32Å; I1693-M1883 VanDerWaalsContact CD1-O 3.3Å; I1693-M1883 WeakPolarHBondContact CD1-O 3.16Å; I1693-P1884 VanDerWaalsContact CD1-N 3.32Å | |||
| 1694 | P | 32.6 | Very low | 25.6 | Very low | 59 Ų | 59 | 113.3 Ų | 113.3 | 38% | 0.383 | 57% | 0.568 | S | S | . | * | cis | -145.9 | -143.2 | -25.2 | 39.3 | -15.3 | 0 | 0 | 0 | 114.5 | P1884 | P1694-P1884 VanDerWaalsContact CD-O 3.24Å; P1694-P1884 WeakPolarHBondContact CD-O 3.41Å; P1694-P1884 WeakPolarHBondContact CG-O 3.46Å | ||
| 1695 | E | 25.2 | Very low | 25.6 | Very low | 90 Ų | 90 | 112.5 Ų | 112.5 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | trans | 63.1 | 116.9 | 158.7 | -82.9 | 166.5 | -141.9 | 0 | 0 | 121.7 | H1885 L1886 | E1695-H1885 VanDerWaalsContact CD-N 3.25Å; E1695-H1885 PolarHBondContact OE1-N 2.72Å; E1695-H1885 IonicContact OE1-ND1 3.19Å; E1695-H1885 WeakPolarHBondContact OE2-CA 3.3Å; E1695-H1885 PolarHBondContact OE2-N 2.94Å; E1695-L1886 PolarHBondContact OE2-N 2.72Å | ||
| 1696 | D | 24.8 | Very low | 25.6 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | trans | 53.8 | 167.4 | 146.2 | -53.9 | -14.3 | 0 | 0 | 0 | 124.2 | ||||
| 1697 | F | 23.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 109.3 Ų | 109.3 | 46% | 0.456 | 57% | 0.573 | S | S | . | * | trans | 70.2 | 100 | 165.3 | -67 | -69.9 | 0 | 0 | 0 | 123.8 | S1889 | F1697-S1889 VanDerWaalsContact CD1-N 3.35Š| ||
| 1698 | E | 24.8 | Very low | 25.6 | Very low | 99 Ų | 99 | 112.6 Ų | 112.6 | 46% | 0.463 | 58% | 0.584 | S | S | . | * | 52 | 116.7 | 103.6 | -145.4 | 158.1 | -148.8 | 0 | 0 | 121.4 | S1891 V1892 | E1698-S1891 VanDerWaalsContact OE1-CA 3.31Å; E1698-S1891 WeakPolarHBondContact OE1-CA 3.46Å; E1698-S1891 PolarHBondContact OE1-N 3.31Å; E1698-S1891 PolarHBondContact OE2-N 2.9Å; E1698-V1892 PolarHBondContact OE1-N 3.14Å | |||
| 1699 | E | 23.8 | Very low | 25.5 | Very low | 149 Ų | 149 | 114.9 Ų | 114.9 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | trans | 74.5 | 153.8 | 147.6 | -113.7 | -168.7 | 164.6 | 0 | 0 | 125.7 | ||||
| 1700 | T | 24.3 | Very low | 25.5 | Very low | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 60% | 0.603 | S | S | * | * | trans | 73.5 | 77.1 | 160.9 | 55.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1701 | D | 24.2 | Very low | 25.6 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | 73.4 | 150 | 105.5 | -155.3 | 17.3 | 0 | 0 | 0 | 123.6 | |||||
| 1702 | K | 26.3 | Very low | 25.5 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | trans | 77.8 | 99.2 | 163.4 | -58.1 | -157.2 | 168 | 60.6 | 0 | 123.8 | ||||
| 1703 | T | 25.3 | Very low | 25.6 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 58% | 0.577 | 63% | 0.634 | S | S | * | * | 87.7 | 126.8 | 121.2 | 56.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1704 | N | 26.5 | Very low | 25.7 | Very low | 75 Ų | 75 | 121 Ų | 121 | 40% | 0.401 | 65% | 0.65 | S | S | . | * | trans | 78.1 | 111.1 | 134.6 | -71.5 | 39.1 | 0 | 0 | 0 | 122.6 | R1605 | R1605-N1704 PolarHBondContact O-ND2 2.74Š| ||
| 1705 | E | 26.9 | Very low | 25.3 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 65% | 0.653 | S | S | * | * | 116.2 | 153.8 | 109.5 | -87.5 | 177.3 | 106.1 | 0 | 0 | 122.4 | |||||
| 1706 | S | 27 | Very low | 25.3 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | trans | 55.7 | 95.6 | 164.3 | 59.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1707 | S | 30.1 | Very low | 25.3 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | 9.1 | 131.7 | 116 | -41.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1708 | E | 25.8 | Very low | 25.4 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | -155.4 | 160.5 | 123.9 | -122.4 | 171 | -160.3 | 0 | 0 | 113.1 | |||||
| 1709 | E | 24.5 | Very low | 25.4 | Very low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -54.5 | 145.6 | -175.8 | -74.1 | -177.3 | 148.1 | 0 | 0 | 115.6 | ||||
| 1710 | L | 25.9 | Very low | 25.5 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | 85.9 | 124.9 | 54.6 | -176 | 81.7 | 0 | 0 | 0 | 113.8 | |||||
| 1711 | S | 24.2 | Very low | 25.4 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | trans | 66 | 168.5 | 174.9 | 70.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1712 | V | 23.7 | Very low | 25.5 | Very low | 106 Ų | 106 | 120 Ų | 120 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | cis | -146.8 | 121.8 | 28.9 | 172.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1713 | A | 24.2 | Very low | 25.5 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | 76.2 | 114.8 | 63 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1714 | K | 26.7 | Very low | 25.5 | Very low | 169 Ų | 169 | 116.7 Ų | 116.7 | 74% | 0.735 | 66% | 0.659 | S | S | * | * | trans | 63.3 | 143.1 | 158.6 | -65.3 | -176.2 | 174.8 | -176.7 | 0 | 120.2 | ||||
| 1715 | Y | 24.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 118 Ų | 118 | 45% | 0.447 | 67% | 0.674 | S | S | . | * | 172.7 | 121 | 114.7 | -105.4 | -93.3 | 0 | 0 | 0 | 107.3 | R1544 | R1544-Y1715 HydrophobicContact CB-CE2 3.97Å; R1544-Y1715 WeakPolarHBondContact CD-OH 3.37Å; R1544-Y1715 HydrophobicContact CG-CE2 4.06Å; R1544-Y1715 WeakPolarHBondContact O-CD2 3.45Å; R1544-Y1715 WeakPolarHBondContact O-CE2 3.17Å; R1544-Y1715 VanDerWaalsContact O-CZ 3.28Å | |||
| 1716 | Q | 24.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 114.9 Ų | 114.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | 74.7 | 116.5 | 57 | -75.8 | -168.6 | -95.6 | 0 | 0 | 115.7 | |||||
| 1717 | G | 25.1 | Very low | 25.4 | Very low | 68 Ų | 68 | 113.5 Ų | 113.5 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | 138.1 | 141 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1718 | H | 25.3 | Very low | 25.1 | Very low | 160 Ų | 160 | 117.6 Ų | 117.6 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | cis | -156 | -178.1 | -12.9 | -131.4 | -88.9 | 0 | 0 | 0 | 111.1 | ||||
| 1719 | L | 24 | Very low | 25.1 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 42% | 0.424 | 67% | 0.671 | S | S | . | * | trans | -40.5 | 160.3 | 165.2 | -92.1 | 69.2 | 0 | 0 | 0 | 114.3 | F2064 | L1719-F2064 HydrophobicContact CD1-CD2 3.66Å; L1719-F2064 HydrophobicContact CD1-CE2 3.35Å; L1719-F2064 HydrophobicContact CD1-CG 4.45Å; L1719-F2064 HydrophobicContact CD1-CZ 3.91Å; L1719-F2064 HydrophobicContact CG-CD2 3.99Å; L1719-F2064 HydrophobicContact CG-CE2 4.18Å | ||
| 1720 | P | 25.8 | Very low | 25.3 | Very low | 76 Ų | 76 | 112.5 Ų | 112.5 | 49% | 0.494 | 65% | 0.654 | S | S | . | * | cis | -147.5 | 153.1 | 40.6 | 40.5 | -20.1 | 0 | 0 | 0 | 120.5 | ||||
| 1721 | L | 23.5 | Very low | 25.3 | Very low | 97 Ų | 97 | 107.1 Ų | 107.1 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | 35.5 | 124.6 | 126.7 | -47.7 | 164.3 | 0 | 0 | 0 | 119.3 | |||||
| 1722 | T | 25.5 | Very low | 25.5 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 73% | 0.73 | 62% | 0.615 | S | S | * | * | -179.6 | 150.6 | 87.7 | 28.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1723 | S | 26.3 | Very low | 25.8 | Very low | 96 Ų | 96 | 107 Ų | 107 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | trans | 40.2 | 126.4 | 154.1 | 60 | 0 | 0 | 0 | 0 | 119 | ||||
| 1724 | S | 26.2 | Very low | 26.1 | Very low | 83 Ų | 83 | 108.2 Ų | 108.2 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | cis | 163.4 | 166.1 | 9.5 | 46.1 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1725 | S | 26 | Very low | 26 | Very low | 102 Ų | 102 | 105.6 Ų | 105.6 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | trans | 39.6 | 96.1 | 152.8 | 60 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1726 | G | 25.8 | Very low | 25.9 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | cis | 85.1 | -153.2 | 45.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1727 | G | 25.4 | Very low | 26 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 76% | 0.763 | 60% | 0.596 | S | S | * | * | trans | 68 | 59.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1728 | Y | 23.6 | Very low | 25.9 | Very low | 203 Ų | 203 | 111 Ų | 111 | 80% | 0.796 | 60% | 0.6 | S | S | * | * | trans | 45.5 | 116.7 | 133.3 | -98.5 | -118 | 0 | 0 | 0 | 118.9 | ||||
| 1729 | F | 27.2 | Very low | 25.9 | Very low | 157 Ų | 157 | 111 Ų | 111 | 69% | 0.689 | 60% | 0.597 | S | S | * | * | 67.8 | 144.5 | 104 | -156.4 | -134.7 | 0 | 0 | 0 | 117.7 | |||||
| 1730 | K | 28 | Very low | 26 | Very low | 97 Ų | 97 | 111 Ų | 111 | 42% | 0.422 | 61% | 0.605 | S | S | . | * | trans | 69.4 | 148.5 | 160.1 | -78.9 | -176.2 | 152.5 | -84.4 | 0 | 115.9 | ||||
| 1731 | D | 26 | Very low | 26 | Very low | 33 Ų | 33 | 113.7 Ų | 113.7 | 18% | 0.176 | 62% | 0.615 | C | S | . | * | cis | -159.1 | 153.1 | 6.7 | -127.3 | -19 | 0 | 0 | 0 | 110.8 | L1787 S1788 | D1731-L1787 CarbonylContact O-C 3.59Å; D1731-L1787 VanDerWaalsContact O-CA 3.28Å; D1731-L1787 WeakPolarHBondContact O-CA 3.09Å; D1731-S1788 VanDerWaalsContact CB-CA 3.49Å; D1731-S1788 VanDerWaalsContact CB-CB 3.44Å; D1731-S1788 WeakPolarHBondContact CB-OG 3.35Å; D1731-S1788 PolarHBondContact N-OG 3.21Å; D1731-S1788 PolarHBondContact O-N 3.37Å | ||
| 1732 | Q | 27.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | trans | 44.6 | -168.7 | 133.6 | -69.8 | 164.1 | -24.2 | 0 | 0 | 119.1 | P1789 | Q1732-P1789 VanDerWaalsContact OE1-C 3.26Š| ||
| 1733 | H | 31.3 | Very low | 26.4 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 46% | 0.458 | 63% | 0.628 | S | S | . | * | trans | 66.4 | 114 | 172.5 | -73 | -87.5 | 0 | 0 | 0 | 113 | H1786 L1787 S1788 | H1733-H1786 WeakPolarHBondContact CB-O 3.45Å; H1733-L1787 WeakPolarHBondContact CB-O 3.3Å; H1733-S1788 VanDerWaalsContact CD2-CA 3.47Å; H1733-S1788 WeakPolarHBondContact CD2-CA 3.48Å; H1733-S1788 PolarHBondContact CD2-N 3.06Å; H1733-S1788 VanDerWaalsContact CD2-N 3.25Å | ||
| 1734 | D | 29.2 | Very low | 26.4 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | cis | -143.9 | 160.9 | 23.9 | -82.2 | -36.6 | 0 | 0 | 0 | 110.4 | ||||
| 1735 | Q | 24.7 | Very low | 26.5 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | cis | -169 | 176.9 | -3.4 | -112.5 | 152.7 | 18.2 | 0 | 0 | 106 | ||||
| 1736 | Y | 23.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 66% | 0.655 | 64% | 0.636 | S | S | * | * | cis | -147 | 129.7 | 14.4 | -126.6 | -72.4 | 0 | 0 | 0 | 108.6 | ||||
| 1737 | F | 25.2 | Very low | 26.9 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | trans | 54.7 | 126.6 | 149.1 | -78.5 | -143.3 | 0 | 0 | 0 | 119.1 | K1739 | F1737-K1739 HydrophobicContact CD1-CD 4.09Å; F1737-K1739 HydrophobicContact CE1-CD 4.27Å | ||
| 1738 | D | 23.3 | Very low | 27 | Very low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | cis | 66.8 | 107.5 | 21.3 | -156.3 | 19.7 | 0 | 0 | 0 | 115.4 | ||||
| 1739 | K | 26 | Very low | 27.1 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | 156.1 | 115.8 | 166.5 | -91.8 | 167.7 | -176.1 | -168.6 | 0 | 107.8 | F1737 | F1737-K1739 HydrophobicContact CD1-CD 4.09Å; F1737-K1739 HydrophobicContact CE1-CD 4.27Å | ||
| 1740 | S | 25.9 | Very low | 27.4 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | cis | 93 | 146.1 | 41.7 | 82.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1741 | D | 25.8 | Very low | 27.6 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | 78.6 | 105.3 | 159 | -50.4 | -51.4 | 0 | 0 | 0 | 120.9 | ||||
| 1742 | H | 29.5 | Very low | 27.6 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | 19.4 | 130.5 | 127.7 | -61.5 | -73.2 | 0 | 0 | 0 | 118.9 | |||||
| 1743 | P | 28.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | -134.4 | 131.2 | 77.8 | 18.8 | 2.1 | 0 | 0 | 0 | 113.8 | |||||
| 1744 | Q | 26.2 | Very low | 27.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | 71.5 | 133.2 | 81.8 | -69.1 | -173.7 | 11.5 | 0 | 0 | 116.1 | |||||
| 1745 | L | 27.2 | Very low | 27.5 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | 93.6 | 111 | 153.8 | -60.9 | 144.9 | 0 | 0 | 0 | 121.2 | ||||
| 1746 | L | 30.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 138 Ų | 138 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | trans | 80.4 | 114 | 141.2 | -88.9 | 72.6 | 0 | 0 | 0 | 123 | ||||
| 1747 | R | 29.4 | Very low | 28.5 | Very low | 209 Ų | 209 | 134.8 Ų | 134.8 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | trans | 82.8 | 105.2 | 132.5 | -69.5 | 179.4 | -178.1 | 173.6 | 1.1 | 121.6 | ||||
| 1748 | T | 27.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | 73.8 | 120.5 | 130.8 | 56.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1749 | N | 26.5 | Very low | 28.7 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | 76.8 | 143.4 | 162 | -56.7 | -11 | 0 | 0 | 0 | 116.2 | ||||
| 1750 | I | 32.1 | Very low | 28.7 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 93% | 0.928 | 69% | 0.688 | S | S | * | * | trans | -111.6 | 137.8 | -131.8 | -64.3 | 156.6 | 0 | 0 | 0 | 113.8 | ||||
| 1751 | G | 33.9 | Very low | 28.7 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | -167.9 | 157.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1752 | E | 25.5 | Very low | 28.7 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -99.8 | -178.3 | -175.1 | -47.5 | -179.3 | 115.9 | 0 | 0 | 112.4 | K1985 | E1752-K1985 IonicContact OE2-NZ 3.65Š| ||
| 1753 | P | 27 | Very low | 28.5 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 84% | 0.844 | 67% | 0.669 | S | S | * | * | -98.2 | -177.6 | -104.6 | 19.3 | 2.5 | 0 | 0 | 0 | 116.1 | |||||
| 1754 | C | 27.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 127 Ų | 127 | 94% | 0.939 | 67% | 0.672 | S | S | * | * | trans | -111.5 | -174.9 | -158.7 | -79.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1755 | N | 32.7 | Very low | 28.3 | Very low | 142 Ų | 142 | 123.2 Ų | 123.2 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | trans | -139.1 | 179.6 | -157.3 | -162.3 | 33.4 | 0 | 0 | 0 | 114.2 | ||||
| 1756 | T | 35.9 | Very low | 28.2 | Very low | 60 Ų | 60 | 123 Ų | 123 | 37% | 0.368 | 67% | 0.673 | S | S | . | * | trans | -21.2 | 146.5 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 120.7 | L743 | L743-T1756 HydrophobicContact CD1-CG2 3.75Å; L743-T1756 HydrophobicContact CD2-CG2 4.4Å; L743-T1756 HydrophobicContact CG-CG2 3.99Å | ||
| 1757 | D | 32.5 | Very low | 28 | Very low | 99 Ų | 99 | 121 Ų | 121 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | -161.5 | 174.4 | 71.5 | -90 | 23.8 | 0 | 0 | 0 | 110.5 | F740 T741 S742 | F740-D1757 WeakPolarHBondContact CD1-O 3.27Å; T741-D1757 CarbonylContact C-O 3.3Å; T741-D1757 VanDerWaalsContact C-O 3.3Å; T741-D1757 CarbonylContact O-C 3.47Å; T741-D1757 PolarHBondContact OG1-O 2.67Å; S742-D1757 WeakPolarHBondContact OG-CA 3.46Å | |||
| 1758 | E | 26.2 | Very low | 27.7 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 50% | 0.5 | 67% | 0.669 | S | S | . | * | cis | -166.1 | -156.1 | -28.2 | -165.1 | -95.4 | 109 | 0 | 0 | 105.5 | F740 T741 S742 | F740-E1758 CarbonylContact C-O 3.55Å; F740-E1758 VanDerWaalsContact CA-O 3.29Å; F740-E1758 WeakPolarHBondContact CA-O 2.96Å; F740-E1758 WeakPolarHBondContact CB-O 3.45Å; F740-E1758 PolarHBondContact N-O 2.83Å; T741-E1758 PolarHBondContact N-O 3.04Å; T741-E1758 CarbonylContact O-C 3.17Å; T741-E1758 WeakPolarHBondContact O-CA 3.46Å; T741-E1758 PolarHBondContact O-N 3.11Å; T741-E1758 VanDerWaalsContact O-O 3.1Å; S742-E1758 PolarHBondContact OG-N 3.03Å | ||
| 1759 | I | 26.2 | Very low | 27.6 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 34% | 0.344 | 68% | 0.676 | S | S | . | * | trans | 80.2 | 82.6 | 159.2 | -60.4 | -176.8 | 0 | 0 | 0 | 117.3 | L738 N739 F740 | L738-I1759 HydrophobicContact CB-CG2 3.45Å; L738-I1759 VanDerWaalsContact CB-CG2 3.45Å; N739-I1759 CarbonylContact C-O 3.59Å; N739-I1759 VanDerWaalsContact C-O 3.3Å; N739-I1759 VanDerWaalsContact CA-O 3.26Å; N739-I1759 WeakPolarHBondContact CA-O 3.49Å; F740-I1759 HydrophobicContact CB-CB 4.12Å; F740-I1759 PolarHBondContact N-O 2.96Å | ||
| 1760 | K | 26.6 | Very low | 27.6 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 40% | 0.404 | 68% | 0.677 | S | S | . | * | 80.5 | 110.6 | 121 | -71.9 | -159.3 | -78.9 | 152.1 | 0 | 123.4 | N737 L738 | N737-K1760 PolarHBondContact O-NZ 3.26Å; L738-K1760 HydrophobicContact CB-CB 4.35Å | |||
| 1761 | Q | 25.8 | Very low | 27.3 | Very low | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.463 | 66% | 0.659 | S | S | . | * | 83.6 | 137.1 | 122.3 | -73.9 | 176.9 | -29.6 | 0 | 0 | 118.9 | M735 T736 N737 | M735-Q1761 PolarHBondContact O-NE2 2.94Å; T736-Q1761 PolarHBondContact O-OE1 3.14Å; N737-Q1761 VanDerWaalsContact C-OE1 3.32Å; N737-Q1761 PolarHBondContact O-OE1 3.45Å | |||
| 1762 | V | 26.1 | Very low | 27 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | cis | 160.7 | 154.9 | -6.5 | 109.5 | 0 | 0 | 0 | 0 | 104.8 | M735 | M735-V1762 WeakPolarHBondContact O-CG1 3.45Š| ||
| 1763 | P | 25.7 | Very low | 27 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 66% | 0.656 | 64% | 0.64 | S | S | * | * | cis | -135 | 177.9 | -13 | 39.1 | -22.9 | 0 | 0 | 0 | 114.8 | G1765 | P1763-G1765 PolarHBondContact O-N 3.39Š| ||
| 1764 | Y | 23.9 | Very low | 27 | Very low | 216 Ų | 216 | 113.1 Ų | 113.1 | 85% | 0.847 | 61% | 0.611 | S | S | * | * | trans | -38.7 | 114.8 | 142.8 | -71.8 | -103.6 | 0 | 0 | 0 | 114.8 | ||||
| 1765 | G | 25.3 | Very low | 27.4 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | 61.4 | -150.8 | 113.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | P1763 | P1763-G1765 PolarHBondContact O-N 3.39Š| |||
| 1766 | I | 25 | Very low | 27.6 | Very low | 143 Ų | 143 | 107.4 Ų | 107.4 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | 67.8 | 106 | 172.6 | -49.6 | 164.4 | 0 | 0 | 0 | 116.5 | ||||
| 1767 | S | 26 | Very low | 27 | Very low | 81 Ų | 81 | 108.7 Ų | 108.7 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | -175.5 | 138.2 | 109.3 | 32.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1768 | H | 24.3 | Very low | 27 | Very low | 172 Ų | 172 | 111.5 Ų | 111.5 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | trans | -50.3 | 135.8 | -173.8 | -57 | -90.8 | 0 | 0 | 0 | 118.8 | ||||
| 1769 | V | 26 | Very low | 27 | Very low | 147 Ų | 147 | 108 Ų | 108 | 89% | 0.891 | 58% | 0.575 | S | S | * | * | trans | -137 | 154.7 | 142.9 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1770 | K | 25.6 | Very low | 26.8 | Very low | 202 Ų | 202 | 108 Ų | 108 | 88% | 0.878 | 58% | 0.578 | S | S | * | * | trans | -118.3 | 106.5 | -174.9 | -69.1 | -177.4 | 177.4 | -177.6 | 0 | 113.7 | ||||
| 1771 | A | 26.5 | Very low | 26.5 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 55% | 0.554 | 59% | 0.586 | S | S | * | * | trans | -164.2 | 154 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1772 | F | 27.7 | Very low | 26.3 | Very low | 194 Ų | 194 | 111.7 Ų | 111.7 | 85% | 0.851 | 59% | 0.591 | S | S | * | * | cis | 65.8 | 74.1 | 31.1 | -108.6 | -75.6 | 0 | 0 | 0 | 113.6 | H657 | H657-F1772 PolarHBondContact CE1-O 3.41Å; H657-F1772 PolarHBondContact NE2-O 3.44Å | ||
| 1773 | S | 25.1 | Very low | 26.2 | Very low | 36 Ų | 36 | 116.8 Ų | 116.8 | 25% | 0.252 | 60% | 0.602 | S | S | . | * | trans | -175.5 | -168.9 | 152.2 | -113.3 | 0 | 0 | 0 | 0 | 109.4 | Q653 E654 H657 | Q653-S1773 CarbonylContact O-C 3.58Å; E654-S1773 CarbonylContact C-O 3.35Å; E654-S1773 WeakPolarHBondContact CA-O 3.08Å; E654-S1773 CarbonylContact O-C 3.39Å; H657-S1773 WeakPolarHBondContact CB-OG 3.34Å; H657-S1773 WeakPolarHBondContact CD2-CA 3.33Å; H657-S1773 WeakPolarHBondContact CD2-CB 3.45Å; H657-S1773 PolarHBondContact CD2-OG 3.3Å; H657-S1773 WeakPolarHBondContact CE1-CA 3.31Å; H657-S1773 WeakPolarHBondContact CE1-CB 3.46Å; H657-S1773 PolarHBondContact CE1-OG 2.89Å; H657-S1773 WeakPolarHBondContact ND1-CB 3.38Å; H657-S1773 PolarHBondContact ND1-OG 2.94Å; H657-S1773 WeakPolarHBondContact NE2-CA 3.4Å; H657-S1773 WeakPolarHBondContact NE2-CB 3.25Å; H657-S1773 PolarHBondContact NE2-N 3.04Å; H657-S1773 PolarHBondContact NE2-OG 3.23Å | ||
| 1774 | Q | 25.9 | Very low | 26.1 | Very low | 53 Ų | 53 | 118.3 Ų | 118.3 | 25% | 0.248 | 61% | 0.605 | C | S | . | * | 158.7 | 0 | 98.5 | -93 | 129.6 | -25.6 | 0 | 0 | 123.4 | Q653 E654 E655 S656 H657 L658 E661 | Q653-Q1774 PolarHBondContact O-N 3.29Å; E654-Q1774 CarbonylContact O-C 3.41Å; E654-Q1774 VanDerWaalsContact O-C 3.23Å; E654-Q1774 WeakPolarHBondContact O-CA 3.43Å; E654-Q1774 PolarHBondContact O-N 3.16Å; E655-Q1774 CarbonylContact C-O 3.56Å; E655-Q1774 CarbonylContact O-C 3.54Å; S656-Q1774 VanDerWaalsContact N-C 3.33Å; H657-Q1774 VanDerWaalsContact CA-CA 3.45Å; H657-Q1774 VanDerWaalsContact N-N 3.13Å; L658-Q1774 VanDerWaalsContact CB-C 3.42Å; L658-Q1774 HydrophobicContact CB-CB 3.36Å; L658-Q1774 HydrophobicContact CB-CG 3.63Å; L658-Q1774 HydrophobicContact CD1-CB 4.46Å; L658-Q1774 HydrophobicContact CG-CB 3.73Å; L658-Q1774 HydrophobicContact CG-CG 3.76Å; L658-Q1774 VanDerWaalsContact N-CB 3.32Å; E661-Q1774 PolarHBondContact OE1-NE2 2.91Å; E661-Q1774 VanDerWaalsContact OE2-CG 3.3Å; E661-Q1774 WeakPolarHBondContact OE2-CG 3.17Å; E661-Q1774 PolarHBondContact OE2-NE2 3.37Å | |||
| 1775 | K | 35.8 | Very low | 26.1 | Very low | 87 Ų | 87 | 115 Ų | 115 | 38% | 0.378 | 60% | 0.6 | S | S | . | * | 0 | 164.8 | 0 | -56.6 | -144.6 | -172.2 | 59.7 | 0 | 126.3 | E655 S656 H657 L658 A659 E660 | E655-K1775 HydrophobicContact CB-CG 4.18Å; E655-K1775 WeakPolarHBondContact O-CA 3.31Å; E655-K1775 WeakPolarHBondContact O-CB 3.16Å; E655-K1775 WeakPolarHBondContact O-CG 3.27Å; E655-K1775 PolarHBondContact O-N 3.37Å; E655-K1775 WeakPolarHBondContact OE2-CE 3.27Å; E655-K1775 IonicContact OE2-NZ 3.67Å; E655-K1775 PolarHBondContact OE2-NZ 3.07Å; S656-K1775 VanDerWaalsContact C-CA 3.44Å; S656-K1775 VanDerWaalsContact C-CB 3.42Å; S656-K1775 CarbonylContact C-O 3.3Å; S656-K1775 VanDerWaalsContact CA-CB 3.48Å; S656-K1775 CarbonylContact O-C 3.56Å; S656-K1775 WeakPolarHBondContact O-CB 3.19Å; H657-K1775 CarbonylContact C-O 3.56Å; H657-K1775 WeakPolarHBondContact CA-O 3.48Å; H657-K1775 VanDerWaalsContact N-N 3.18Å; H657-K1775 PolarHBondContact N-O 3.3Å; H657-K1775 VanDerWaalsContact N-O 3.15Å; L658-K1775 PolarHBondContact N-O 3.14Å; A659-K1775 VanDerWaalsContact C-C 3.44Å; A659-K1775 CarbonylContact C-O 3.02Å; A659-K1775 VanDerWaalsContact CA-C 3.43Å; A659-K1775 WeakPolarHBondContact CA-O 3.48Å; A659-K1775 VanDerWaalsContact CB-C 3.45Å; A659-K1775 PolarHBondContact N-O 2.99Å; E660-K1775 PolarHBondContact N-O 3.09Å | |||
| 1776 | P | 37.3 | Very low | 26.2 | Very low | 74 Ų | 74 | 116.6 Ų | 116.6 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | B | Isolated β-bridge | cis | -123.6 | -27.2 | -18.7 | 32.1 | -18.7 | 0 | 0 | 0 | 121.8 | A659 E660 | A659-P1776 VanDerWaalsContact CB-N 3.28Å; A659-P1776 WeakPolarHBondContact O-CD 3.07Å; E660-P1776 VanDerWaalsContact N-CD 3.33Å |
| 1777 | L | 24.1 | Very low | 26.3 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -94.5 | 121.7 | -159.3 | -57.4 | 113.3 | 0 | 0 | 0 | 118.4 | A659 T662 A663 R666 | A659-L1777 VanDerWaalsContact CB-N 3.25Å; A659-L1777 PolarHBondContact O-N 2.95Å; T662-L1777 PolarHBondContact OG1-O 3.12Å; A663-L1777 HydrophobicContact CB-CB 3.99Å; A663-L1777 HydrophobicContact CB-CD1 3.76Å; A663-L1777 HydrophobicContact CB-CG 4.49Å; R666-L1777 PolarHBondContact NH1-O 2.98Å; R666-L1777 VanDerWaalsContact NH1-O 3.11Å | ||
| 1778 | M | 32.2 | Very low | 26.4 | Very low | 158 Ų | 158 | 112.6 Ų | 112.6 | 78% | 0.778 | 56% | 0.564 | S | S | * | * | 27 | 127.5 | 115.3 | 178.3 | -177 | 174.5 | 0 | 0 | 120.9 | |||||
| 1779 | S | 25.7 | Very low | 26.6 | Very low | 35 Ų | 35 | 108.7 Ų | 108.7 | 25% | 0.245 | 56% | 0.555 | C | S | . | * | trans | 153.2 | 132.7 | 138.5 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | R666 D670 | R666-S1779 WeakPolarHBondContact CD-O 3.24Å; R666-S1779 VanDerWaalsContact CG-O 3.31Å; R666-S1779 WeakPolarHBondContact CG-O 3.24Å; R666-S1779 VanDerWaalsContact CZ-N 3.34Å; R666-S1779 PolarHBondContact NE-O 2.82Å; D670-S1779 PolarHBondContact OD2-OG 3.24Å | ||
| 1780 | T | 21.7 | Very low | 26.6 | Very low | 65 Ų | 65 | 104.6 Ų | 104.6 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | trans | 61.2 | 151.5 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 117 | D670 | D670-T1780 WeakPolarHBondContact OD1-CG2 3.22Š| ||
| 1781 | R | 21.6 | Very low | 26.7 | Very low | 150 Ų | 150 | 100 Ų | 100 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | cis | -147.2 | -177.4 | -0.5 | -133.9 | -176.1 | 179.6 | 129.6 | -9.4 | 112.2 | N673 | N673-R1781 PolarHBondContact ND2-NH1 3.49Å; N673-R1781 VanDerWaalsContact ND2-NH1 3.16Å | ||
| 1782 | E | 21.3 | Very low | 26.6 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | trans | -50.7 | 152.1 | 162.6 | -52.8 | 104.3 | 178.1 | 0 | 0 | 110.6 | ||||
| 1783 | Y | 22.7 | Very low | 26.6 | Very low | 191 Ų | 191 | 100 Ų | 100 | 75% | 0.749 | 52% | 0.524 | S | S | * | . | cis | -155.2 | 141.7 | 48.6 | -81.8 | -79.9 | 0 | 0 | 0 | 109.3 | ||||
| 1784 | N | 23.8 | Very low | 26.7 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 71% | 0.711 | 55% | 0.548 | S | S | * | . | 61.9 | 134.7 | 82.6 | -78.7 | 1.2 | 0 | 0 | 0 | 116.4 | |||||
| 1785 | L | 25.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | trans | 66.8 | 151.3 | 165.1 | -83.7 | 74 | 0 | 0 | 0 | 116.1 | ||||
| 1786 | H | 26.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | cis | -159.8 | 136.3 | -22.1 | -126.5 | -152.3 | 0 | 0 | 0 | 106.9 | H1733 | H1733-H1786 WeakPolarHBondContact CB-O 3.45Š| ||
| 1787 | L | 28.4 | Very low | 26.1 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | 57.4 | 114.1 | 102.7 | -94.6 | 77.6 | 0 | 0 | 0 | 116.7 | D1731 H1733 | D1731-L1787 CarbonylContact O-C 3.59Å; D1731-L1787 VanDerWaalsContact O-CA 3.28Å; D1731-L1787 WeakPolarHBondContact O-CA 3.09Å; H1733-L1787 WeakPolarHBondContact CB-O 3.3Å | |||
| 1788 | S | 27.4 | Very low | 26.3 | Very low | 38 Ų | 38 | 120.6 Ų | 120.6 | 27% | 0.266 | 61% | 0.608 | S | S | . | * | 48 | 151.2 | 121.4 | -23.1 | 0 | 0 | 0 | 0 | 123.3 | D1731 H1733 | D1731-S1788 VanDerWaalsContact CB-CA 3.49Å; D1731-S1788 VanDerWaalsContact CB-CB 3.44Å; D1731-S1788 WeakPolarHBondContact CB-OG 3.35Å; D1731-S1788 PolarHBondContact N-OG 3.21Å; D1731-S1788 PolarHBondContact O-N 3.37Å; H1733-S1788 VanDerWaalsContact CD2-CA 3.47Å; H1733-S1788 WeakPolarHBondContact CD2-CA 3.48Å; H1733-S1788 PolarHBondContact CD2-N 3.06Å; H1733-S1788 VanDerWaalsContact CD2-N 3.25Å | |||
| 1789 | P | 28.8 | Very low | 26.1 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 59% | 0.591 | 61% | 0.605 | S | S | * | * | cis | -139.8 | 178.7 | 7.1 | 41.9 | -23.2 | 0 | 0 | 0 | 116.9 | Q1732 | Q1732-P1789 VanDerWaalsContact OE1-C 3.26Š| ||
| 1790 | S | 25.4 | Very low | 26.3 | Very low | 61 Ų | 61 | 124.2 Ų | 124.2 | 43% | 0.427 | 63% | 0.625 | S | S | . | * | trans | -61.4 | 155 | 152.5 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1791 | S | 26.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | 173.2 | 140.6 | 113.2 | 61.6 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1792 | D | 25.9 | Very low | 26.7 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | 85.7 | 144.1 | 129.3 | -90.8 | 27.7 | 0 | 0 | 0 | 126.6 | |||||
| 1793 | I | 26.7 | Very low | 26.9 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | trans | 104.7 | 91.2 | 141.8 | -75.9 | 158.6 | 0 | 0 | 0 | 122.8 | ||||
| 1794 | R | 27.4 | Very low | 27.1 | Very low | 198 Ų | 198 | 121.1 Ų | 121.1 | 75% | 0.747 | 63% | 0.631 | S | S | * | * | 76.8 | 120.9 | 125.2 | -61.5 | 178.3 | -159.4 | 176.1 | 8.9 | 125.6 | |||||
| 1795 | R | 28.6 | Very low | 27.1 | Very low | 194 Ų | 194 | 119.4 Ų | 119.4 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | 73.9 | 108.8 | 122.6 | -71.4 | -169.9 | -176.4 | 171.1 | -0.9 | 123.4 | |||||
| 1796 | T | 30.8 | Very low | 27 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | 40.6 | 141.4 | 109.1 | 65.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1797 | D | 27.7 | Very low | 27 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 73% | 0.733 | 60% | 0.6 | S | S | * | * | -178.9 | 136.8 | 102.4 | -78.4 | -15 | 0 | 0 | 0 | 114 | |||||
| 1798 | D | 28.1 | Very low | 26.7 | Very low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | 83.5 | 133.5 | 131.9 | -74.7 | 6.6 | 0 | 0 | 0 | 130.5 | ||||
| 1799 | I | 27.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 71% | 0.708 | 63% | 0.625 | S | S | * | * | trans | 82.3 | 142.8 | 134.5 | -75.5 | 165.4 | 0 | 0 | 0 | 121.5 | ||||
| 1800 | I | 29.4 | Very low | 26.4 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 67% | 0.672 | 64% | 0.636 | S | S | * | * | cis | 158.1 | 144.2 | -28.2 | -97.7 | 167.8 | 0 | 0 | 0 | 108 | ||||
| 1801 | T | 27.3 | Very low | 26.3 | Very low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | cis | -145.3 | -137.7 | -26.8 | 36.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1802 | D | 25 | Very low | 26.4 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | cis | -166.5 | -174.5 | -5.5 | -136.3 | -53.7 | 0 | 0 | 0 | 112.1 | ||||
| 1803 | E | 24.6 | Very low | 26.3 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | trans | 61.5 | 140.3 | 155.3 | -71.5 | 174.7 | 166.8 | 0 | 0 | 121.3 | ||||
| 1804 | H | 27.7 | Very low | 26.2 | Very low | 102 Ų | 102 | 127 Ų | 127 | 47% | 0.472 | 64% | 0.64 | S | S | . | * | cis | -140.9 | 137.3 | -9.4 | -79.7 | -67 | 0 | 0 | 0 | 107.4 | ||||
| 1805 | Q | 23.9 | Very low | 26 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | 70.8 | 134 | 71.2 | -153.9 | 167.2 | -3.5 | 0 | 0 | 113.2 | N2088 P2089 | Q1805-N2088 CarbonylContact O-C 3.28Å; Q1805-N2088 VanDerWaalsContact O-C 3.31Å; Q1805-N2088 PolarHBondContact O-N 3.26Å; Q1805-P2089 WeakPolarHBondContact O-CA 3.49Å | |||
| 1806 | S | 24.2 | Very low | 25.8 | Very low | 66 Ų | 66 | 116.3 Ų | 116.3 | 46% | 0.462 | 62% | 0.615 | S | S | . | * | cis | -163.2 | -49.1 | 3.9 | 34.7 | 0 | 0 | 0 | 0 | 118.5 | N2088 | S1806-N2088 WeakPolarHBondContact OG-CA 3.5Å; S1806-N2088 PolarHBondContact OG-N 2.93Å; S1806-N2088 PolarHBondContact OG-OD1 3.28Å | ||
| 1807 | L | 24.3 | Very low | 25.5 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 40% | 0.403 | 60% | 0.603 | S | S | . | * | trans | -101.1 | 170.4 | -164.9 | -93.6 | 65.2 | 0 | 0 | 0 | 114.4 | P2089 C2090 | L1807-P2089 HydrophobicContact CB-CG 4.12Å; L1807-P2089 WeakPolarHBondContact O-CB 3.28Å; L1807-P2089 WeakPolarHBondContact O-CG 3.39Å; L1807-C2090 PolarHBondContact O-SG 3.43Å; L1807-C2090 VanDerWaalsContact O-SG 3.36Å | ||
| 1808 | E | 23.9 | Very low | 25.3 | Very low | 139 Ų | 139 | 114.9 Ų | 114.9 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | cis | -151.4 | 166.9 | -1.1 | -136.9 | -175.7 | -139.6 | 0 | 0 | 111 | ||||
| 1809 | N | 24 | Very low | 25.2 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 68% | 0.679 | 58% | 0.576 | S | S | * | * | trans | 30.9 | 127.4 | 149 | -67.2 | -32 | 0 | 0 | 0 | 120.1 | ||||
| 1810 | V | 24.9 | Very low | 25.1 | Very low | 135 Ų | 135 | 106.7 Ų | 106.7 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | cis | -146 | 156.6 | 36.1 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1811 | T | 24.2 | Very low | 24.9 | Very low | 118 Ų | 118 | 101.9 Ų | 101.9 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | trans | -99.4 | -164.5 | -178.5 | 63.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1812 | P | 27.3 | Very low | 24.7 | Very low | 90 Ų | 90 | 97.4 Ų | 97.4 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | cis | -119.6 | -152.4 | -47.8 | 21.4 | 1.5 | 0 | 0 | 0 | 109.8 | ||||
| 1813 | K | 24.2 | Very low | 24.8 | Very low | 151 Ų | 151 | 91.8 Ų | 91.8 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | trans | 96.3 | 140.3 | 152.4 | -59.9 | 165.3 | 178.8 | 159.6 | 0 | 116.6 | ||||
| 1814 | Y | 24.7 | Very low | 24.8 | Very low | 168 Ų | 168 | 90.6 Ų | 90.6 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | cis | -151.8 | 145.9 | -5.8 | -110.2 | -36.3 | 0 | 0 | 0 | 112.2 | ||||
| 1815 | N | 24.1 | Very low | 24.7 | Very low | 105 Ų | 105 | 88.2 Ų | 88.2 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | trans | 46.2 | 132 | 141.5 | -67.4 | 9.8 | 0 | 0 | 0 | 122 | ||||
| 1816 | V | 24.3 | Very low | 24.8 | Very low | 63 Ų | 63 | 88.8 Ų | 88.8 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | cis | 96.1 | 108.6 | 37.9 | 165.2 | 0 | 0 | 0 | 0 | 113.2 | R1092 | R1092-V1816 VanDerWaalsContact CZ-CG1 3.44Å; R1092-V1816 VanDerWaalsContact NE-CG1 3.29Å | ||
| 1817 | D | 23.5 | Very low | 24.7 | Very low | 77 Ų | 77 | 93.4 Ų | 93.4 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | trans | 56.3 | 169.6 | 154.6 | -42.1 | -7.8 | 0 | 0 | 0 | 117.9 | R1092 | R1092-D1817 IonicContact CZ-OD2 2.64Å; R1092-D1817 IonicContact NE-OD2 3.75Å; R1092-D1817 PolarHBondContact NE-OD2 3.23Å; R1092-D1817 VanDerWaalsContact NH2-CG 3.31Å; R1092-D1817 IonicContact NH2-OD1 2.66Å; R1092-D1817 PolarHBondContact NH2-OD1 2.86Å; R1092-D1817 IonicContact NH2-OD2 2.69Å; R1092-D1817 PolarHBondContact NH2-OD2 3Å | ||
| 1818 | F | 24.1 | Very low | 24.9 | Very low | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.601 | 48% | 0.48 | S | S | * | . | -151.2 | 139 | 70 | -101.5 | -92 | 0 | 0 | 0 | 115.6 | |||||
| 1819 | V | 26.2 | Very low | 24.9 | Very low | 46 Ų | 46 | 90.3 Ų | 90.3 | 28% | 0.279 | 46% | 0.459 | S | S | . | . | trans | -65.9 | 140.9 | 152.8 | 146.7 | 0 | 0 | 0 | 0 | 109 | N1090 | N1090-V1819 HydrophobicContact CB-CG2 3.73Š| ||
| 1820 | E | 24.3 | Very low | 24.9 | Very low | 52 Ų | 52 | 86.8 Ų | 86.8 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | 80 | 122.4 | 61.1 | -94 | 152.8 | -125.9 | 0 | 0 | 114.7 | K1257 H1859 H1861 | K1257-E1820 IonicContact NZ-OE1 2.65Å; E1820-H1859 IonicContact OE1-CE1 3.73Å; E1820-H1859 PolarHBondContact OE1-CE1 3.44Å; E1820-H1859 IonicContact OE1-ND1 2.75Å; E1820-H1859 PolarHBondContact OE1-ND1 3.25Å; E1820-H1859 VanDerWaalsContact OE1-ND1 3.11Å; E1820-H1861 WeakPolarHBondContact CG-CE1 3.21Å; E1820-H1861 IonicContact OE1-CE1 3.32Å; E1820-H1861 PolarHBondContact OE1-CE1 2.89Å; E1820-H1861 IonicContact OE1-NE2 2.82Å; E1820-H1861 PolarHBondContact OE1-NE2 2.85Å; E1820-H1861 IonicContact OE2-CE1 3.51Å; E1820-H1861 PolarHBondContact OE2-CE1 3.21Å; E1820-H1861 IonicContact OE2-NE2 3.87Å | |||
| 1821 | D | 25.8 | Very low | 25 | Very low | 29 Ų | 29 | 82.1 Ų | 82.1 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | 41.7 | 101.1 | 157.1 | -52.8 | 2.3 | 0 | 0 | 0 | 120.4 | W1250 Q1254 | W1250-D1821 PolarHBondContact NE1-OD1 3.04Å; Q1254-D1821 VanDerWaalsContact NE2-CG 3.26Å; Q1254-D1821 PolarHBondContact NE2-OD1 3.43Å; Q1254-D1821 PolarHBondContact NE2-OD2 3.37Å; Q1254-D1821 PolarHBondContact OE1-OD1 2.85Å | ||
| 1822 | E | 23.7 | Very low | 25 | Very low | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | 76.8 | 98.4 | 79.8 | -76.1 | 176.6 | -176.2 | 0 | 0 | 116.3 | I1247 W1250 T1251 Y1371 H1382 D1385 | I1247-E1822 VanDerWaalsContact CA-OE1 3.25Å; I1247-E1822 WeakPolarHBondContact CA-OE1 3.32Å; I1247-E1822 HydrophobicContact CG1-CB 4.3Å; I1247-E1822 HydrophobicContact CG1-CG 4.09Å; I1247-E1822 WeakPolarHBondContact CG2-OE2 3.33Å; W1250-E1822 HydrophobicContact CB-CG 4.45Å; W1250-E1822 VanDerWaalsContact CB-OE1 3.3Å; W1250-E1822 WeakPolarHBondContact CB-OE1 3.45Å; W1250-E1822 HydrophobicContact CG-CG 4.42Å; T1251-E1822 WeakPolarHBondContact CG2-OE1 3.36Å; T1251-E1822 VanDerWaalsContact CG2-OE2 3.22Å; T1251-E1822 WeakPolarHBondContact CG2-OE2 3.49Å; T1251-E1822 PolarHBondContact N-OE1 2.65Å; Y1371-E1822 WeakPolarHBondContact CE2-OE2 3.35Å; H1382-E1822 CarbonylContact C-O 3.19Å; H1382-E1822 WeakPolarHBondContact CA-O 3.4Å; H1382-E1822 WeakPolarHBondContact CB-O 3.47Å; D1385-E1822 WeakPolarHBondContact OD2-CA 3.29Å; D1385-E1822 PolarHBondContact OD2-N 2.04Å | |||
| 1823 | S | 26.7 | Very low | 24.8 | Very low | 12 Ų | 12 | 78 Ų | 78 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | trans | -153.2 | -176.5 | 144.3 | 73.1 | 0 | 0 | 0 | 0 | 118.6 | Y1243 H1382 D1385 E1386 | Y1243-S1823 WeakPolarHBondContact CE2-O 3.45Å; Y1243-S1823 WeakPolarHBondContact OH-CA 3.44Å; Y1243-S1823 PolarHBondContact OH-N 2.98Å; Y1243-S1823 PolarHBondContact OH-O 3.36Å; H1382-S1823 WeakPolarHBondContact O-CB 3.42Å; H1382-S1823 PolarHBondContact O-OG 2.87Å; D1385-S1823 WeakPolarHBondContact CB-OG 3.37Å; D1385-S1823 PolarHBondContact OD2-N 2.82Å; E1386-S1823 PolarHBondContact N-OG 2.04Å | ||
| 1824 | E | 25.7 | Very low | 24.9 | Very low | 97 Ų | 97 | 77.1 Ų | 77.1 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | -129.5 | 126 | -125.5 | -179.7 | 157.3 | -110.9 | 0 | 0 | 110.8 | Y1243 S1244 | Y1243-E1824 HydrophobicContact CD1-CB 3.92Å; Y1243-E1824 HydrophobicContact CD1-CG 3.6Å; Y1243-E1824 HydrophobicContact CE1-CB 3.28Å; Y1243-E1824 HydrophobicContact CE1-CG 3.43Å; Y1243-E1824 VanDerWaalsContact CE1-CG 3.43Å; Y1243-E1824 WeakPolarHBondContact CE1-OE1 3.33Å; S1244-E1824 PolarHBondContact OG-OE1 3.4Å | |||
| 1825 | T | 25 | Very low | 25.5 | Very low | 51 Ų | 51 | 73.7 Ų | 73.7 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | trans | -174.1 | 157.6 | 164.4 | 5.4 | 0 | 0 | 0 | 0 | 109 | R1389 | R1389-T1825 VanDerWaalsContact CZ-OG1 3.27Å; R1389-T1825 PolarHBondContact NH1-OG1 3.48Å; R1389-T1825 PolarHBondContact NH2-OG1 3.03Å | ||
| 1826 | P | 26.2 | Very low | 25.7 | Very low | 108 Ų | 108 | 74.1 Ų | 74.1 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -87.6 | 151.1 | -162.6 | 34.2 | -35.6 | 0 | 0 | 0 | 114.4 | ||
| 1827 | Y | 22.7 | Very low | 25.7 | Very low | 164 Ų | 164 | 77.4 Ų | 77.4 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 68.7 | 116.5 | 170.9 | -79.5 | -125.8 | 0 | 0 | 0 | 116.5 | Y1120 | Y1120-Y1827 AromaticContact CE2-CD1 3.84Å; Y1120-Y1827 HydrophobicContact CE2-CD1 3.84Å; Y1120-Y1827 AromaticContact CE2-CE1 3.71Å; Y1120-Y1827 HydrophobicContact CE2-CE1 3.71Å; Y1120-Y1827 AromaticContact CZ-CD1 3.97Å; Y1120-Y1827 AromaticContact CZ-CE1 3.74Å; Y1120-Y1827 WeakPolarHBondContact OH-CD1 3.24Å; Y1120-Y1827 WeakPolarHBondContact OH-CE1 3.41Å |
| 1828 | Y | 26.5 | Very low | 25.7 | Very low | 106 Ų | 106 | 81.8 Ų | 81.8 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | trans | 100.1 | 124.3 | 154.7 | -51.9 | -55.8 | 0 | 0 | 0 | 121.1 | T1116 E1119 Y1120 | T1116-Y1828 VanDerWaalsContact CB-CD1 3.42Å; T1116-Y1828 VanDerWaalsContact CB-CG 3.46Å; T1116-Y1828 VanDerWaalsContact CB-CZ 3.43Å; T1116-Y1828 HydrophobicContact CG2-CD1 4.05Å; T1116-Y1828 HydrophobicContact CG2-CD2 3.55Å; T1116-Y1828 HydrophobicContact CG2-CE1 4.4Å; T1116-Y1828 HydrophobicContact CG2-CE2 3.98Å; T1116-Y1828 HydrophobicContact CG2-CG 3.57Å; T1116-Y1828 WeakPolarHBondContact O-CD1 3.47Å; T1116-Y1828 WeakPolarHBondContact O-CE1 3.48Å; E1119-Y1828 VanDerWaalsContact OE1-CA 3.27Å; E1119-Y1828 WeakPolarHBondContact OE1-CA 3.15Å; E1119-Y1828 WeakPolarHBondContact OE1-CB 3.43Å; E1119-Y1828 WeakPolarHBondContact OE1-CD1 3.24Å; E1119-Y1828 WeakPolarHBondContact OE2-CA 3.5Å; Y1120-Y1828 AromaticContact CD2-CE1 3.66Å; Y1120-Y1828 HydrophobicContact CD2-CE1 3.66Å; Y1120-Y1828 HydrophobicContact CE2-CD1 4.03Å; Y1120-Y1828 AromaticContact CE2-CE1 3.22Å; Y1120-Y1828 HydrophobicContact CE2-CE1 3.22Å; Y1120-Y1828 AromaticContact CE2-CZ 3.91Å | ||
| 1829 | Q | 23.9 | Very low | 25.8 | Very low | 45 Ų | 45 | 84.4 Ų | 84.4 | 21% | 0.21 | 42% | 0.424 | C | S | . | . | trans | 66.8 | 68.1 | 148.5 | -109.2 | 138.5 | 19.6 | 0 | 0 | 121.2 | V1113 V1114 S1115 E1119 | V1113-Q1829 PolarHBondContact O-NE2 2.92Å; V1114-Q1829 PolarHBondContact O-OE1 2.86Å; S1115-Q1829 PolarHBondContact O-NE2 2.81Å; E1119-Q1829 VanDerWaalsContact CD-CG 3.46Å; E1119-Q1829 HydrophobicContact CG-CB 4.48Å; E1119-Q1829 HydrophobicContact CG-CG 3.68Å; E1119-Q1829 VanDerWaalsContact OE1-CB 3.23Å; E1119-Q1829 WeakPolarHBondContact OE1-CB 3.45Å; E1119-Q1829 WeakPolarHBondContact OE1-CG 3.39Å; E1119-Q1829 PolarHBondContact OE1-N 3.42Å; E1119-Q1829 PolarHBondContact OE1-OE1 2.75Å; E1119-Q1829 PolarHBondContact OE2-N 2.87Å | ||
| 1830 | L | 25.6 | Very low | 26.4 | Very low | 53 Ų | 53 | 87.3 Ų | 87.3 | 28% | 0.277 | 44% | 0.443 | S | S | . | . | 59.7 | 131.2 | 122.1 | -70.5 | 29.5 | 0 | 0 | 0 | 120.7 | R1240 | R1240-L1830 HydrophobicContact CG-CB 4.44Å; R1240-L1830 HydrophobicContact CG-CD1 4.04Å; R1240-L1830 HydrophobicContact CG-CG 3.88Å; R1240-L1830 VanDerWaalsContact CZ-CD2 3.49Å | |||
| 1831 | C | 25.9 | Very low | 26.6 | Very low | 37 Ų | 37 | 90 Ų | 90 | 25% | 0.25 | 47% | 0.465 | C | S | . | . | 164.8 | 175.3 | 90.9 | -98.4 | 0 | 0 | 0 | 0 | 117.6 | D1194 W1196 R1240 | D1194-C1831 WeakPolarHBondContact OD1-CB 3.24Å; D1194-C1831 PolarHBondContact OD1-SG 3.49Å; D1194-C1831 PolarHBondContact OD2-SG 3.17Å; W1196-C1831 HydrophobicContact CB-CB 4.2Å; R1240-C1831 PolarHBondContact NH2-SG 3.43Å | |||
| 1832 | D | 24.2 | Very low | 26.5 | Very low | 55 Ų | 55 | 93.6 Ų | 93.6 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | trans | -154.3 | -155.5 | -170 | -65.9 | 101 | 0 | 0 | 0 | 115.4 | R1195 W1196 | R1195-D1832 CarbonylContact C-O 3.53Å; R1195-D1832 WeakPolarHBondContact CA-O 3.43Å; R1195-D1832 WeakPolarHBondContact CD-O 3.49Å; R1195-D1832 PolarHBondContact N-O 3.23Å; R1195-D1832 PolarHBondContact NH1-O 3.39Å; W1196-D1832 HydrophobicContact CG-CB 4.13Å; W1196-D1832 VanDerWaalsContact N-C 3.33Å; W1196-D1832 PolarHBondContact N-O 3.43Å; W1196-D1832 PolarHBondContact NE1-OD1 3.27Å | ||
| 1833 | M | 24.4 | Very low | 26.5 | Very low | 67 Ų | 67 | 100.8 Ų | 100.8 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | trans | 68.7 | 63.8 | 143.3 | -135 | -153.3 | 79.5 | 0 | 0 | 133.2 | R1195 I1198 F1199 | R1195-M1833 WeakPolarHBondContact CB-O 3.31Å; R1195-M1833 WeakPolarHBondContact O-CB 3.45Å; R1195-M1833 VanDerWaalsContact O-O 3.05Å; I1198-M1833 HydrophobicContact CG2-CE 4.48Å; F1199-M1833 HydrophobicContact CB-CE 3.62Å; F1199-M1833 HydrophobicContact CB-SD 3.77Å; F1199-M1833 HydrophobicContact CD2-CE 3.95Å; F1199-M1833 HydrophobicContact CD2-SD 3.71Å; F1199-M1833 HydrophobicContact CG-CE 4.29Å; F1199-M1833 HydrophobicContact CG-SD 4.09Å | ||
| 1834 | H | 25.8 | Very low | 26.5 | Very low | 132 Ų | 132 | 105 Ų | 105 | 61% | 0.611 | 55% | 0.549 | S | S | * | . | trans | 64.6 | 159.7 | 142.5 | -79 | -83.9 | 0 | 0 | 0 | 126.6 | I1198 | I1198-H1834 WeakPolarHBondContact CD1-O 3.38Š| ||
| 1835 | P | 37.2 | Very low | 26.5 | Very low | 96 Ų | 96 | 106.2 Ų | 106.2 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -103.3 | 178 | -166.3 | 45.7 | -40.2 | 0 | 0 | 0 | 115.3 | ||||
| 1836 | P | 27.7 | Very low | 26.6 | Very low | 113 Ų | 113 | 108 Ų | 108 | 73% | 0.734 | 57% | 0.567 | S | S | * | * | -156.8 | -149.9 | 74 | 48.5 | -25.6 | 0 | 0 | 0 | 113.6 | |||||
| 1837 | D | 23.8 | Very low | 26.6 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | cis | -163.8 | -178.4 | -19 | -134.3 | -46 | 0 | 0 | 0 | 113.7 | ||||
| 1838 | F | 25 | Very low | 26.9 | Very low | 169 Ų | 169 | 109.5 Ų | 109.5 | 74% | 0.741 | 58% | 0.576 | S | S | * | * | trans | 66.8 | 156.3 | 154.9 | -80.3 | -152.5 | 0 | 0 | 0 | 120.5 | ||||
| 1839 | Y | 26.7 | Very low | 26.9 | Very low | 193 Ų | 193 | 108.5 Ų | 108.5 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | cis | -160.5 | -165.2 | -29.9 | -123.8 | -41.1 | 0 | 0 | 0 | 110 | ||||
| 1840 | P | 37.2 | Very low | 27.1 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | trans | -116.2 | -169.7 | -149.2 | 48.2 | -30.6 | 0 | 0 | 0 | 114.8 | ||||
| 1841 | P | 28.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 109.2 Ų | 109.2 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | -153.9 | 179.3 | 73.2 | 40.7 | -19.3 | 0 | 0 | 0 | 117.7 | |||||
| 1842 | S | 24.3 | Very low | 27.2 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | trans | 60.1 | 149.8 | 150.1 | 59.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1843 | F | 24.8 | Very low | 27.2 | Very low | 166 Ų | 166 | 121 Ų | 121 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | cis | -152.3 | 169 | -5.1 | -141.1 | -130.3 | 0 | 0 | 0 | 109.4 | ||||
| 1844 | T | 25.9 | Very low | 27.2 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | trans | 28.5 | 134.8 | 154.8 | 49.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1845 | D | 25.5 | Very low | 27.3 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | cis | -157.5 | 150.9 | 5.9 | -138.7 | 13 | 0 | 0 | 0 | 117.1 | ||||
| 1846 | N | 27 | Very low | 26.9 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 47% | 0.471 | 67% | 0.671 | S | S | . | * | trans | 36.7 | 104.4 | 145.7 | -66.5 | -29.2 | 0 | 0 | 0 | 120.3 | ||||
| 1847 | K | 27 | Very low | 26.7 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | 90.5 | 144 | 82.4 | -83.3 | 172.1 | -168.5 | 139.3 | 0 | 111.2 | |||||
| 1848 | T | 28.3 | Very low | 26.8 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | cis | -164.6 | 160.9 | 5.4 | 17 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1849 | A | 27.4 | Very low | 26.8 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | cis | -166.6 | -176.3 | -13.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1850 | G | 28.1 | Very low | 26.8 | Very low | 37 Ų | 37 | 116.3 Ų | 116.3 | 38% | 0.381 | 64% | 0.644 | S | S | . | * | trans | 74.8 | 72.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1981 | G1850-D1981 VanDerWaalsContact C-OD2 3.28Å; G1850-D1981 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 1851 | Q | 27.8 | Very low | 26.3 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 36% | 0.36 | 62% | 0.62 | S | S | . | * | 72.8 | 138.1 | 71.1 | -60.1 | 165.6 | -116.5 | 0 | 0 | 112 | N1979 Y1980 D1981 W1982 | Q1851-N1979 PolarHBondContact NE2-O 2.96Å; Q1851-Y1980 PolarHBondContact NE2-O 3.47Å; Q1851-D1981 VanDerWaalsContact C-CB 3.5Å; Q1851-D1981 HydrophobicContact CB-CB 3.61Å; Q1851-D1981 WeakPolarHBondContact CB-OD2 3.39Å; Q1851-D1981 WeakPolarHBondContact O-CB 3.33Å; Q1851-W1982 VanDerWaalsContact O-CE2 3.3Å; Q1851-W1982 WeakPolarHBondContact O-CZ2 3.47Å; Q1851-W1982 PolarHBondContact O-NE1 3.47Å | |||
| 1852 | K | 25.3 | Very low | 26.2 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | cis | 87.8 | 135.2 | 21.4 | -61.3 | 167.7 | -178.9 | 166.4 | 0 | 112.3 | Y1980 D1981 | K1852-Y1980 CarbonylContact O-C 3.59Å; K1852-D1981 WeakPolarHBondContact O-CB 3.42Å; K1852-D1981 PolarHBondContact O-N 2.83Å | ||
| 1853 | R | 25 | Very low | 26.3 | Very low | 208 Ų | 208 | 105.7 Ų | 105.7 | 79% | 0.785 | 57% | 0.568 | S | S | * | * | cis | -164.4 | 139.8 | 11.7 | -122.2 | 162.1 | -173.4 | 165.3 | -5.2 | 112.1 | ||||
| 1854 | A | 24.3 | Very low | 26.3 | Very low | 86 Ų | 86 | 98.8 Ų | 98.8 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | 32.5 | 141.1 | 126.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1855 | L | 27.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 96.1 Ų | 96.1 | 86% | 0.859 | 52% | 0.522 | S | S | * | . | 26.3 | 158.1 | 128.4 | -97.2 | 74.5 | 0 | 0 | 0 | 121.5 | |||||
| 1856 | P | 27.4 | Very low | 26.3 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | cis | -147.8 | 166.8 | 15.1 | 40.4 | -19.9 | 0 | 0 | 0 | 119.7 | ||||
| 1857 | L | 24.2 | Very low | 26.1 | Very low | 154 Ų | 154 | 95.8 Ų | 95.8 | 81% | 0.806 | 52% | 0.518 | S | S | * | . | trans | 57 | -178.2 | 141 | -70.5 | 170.1 | 0 | 0 | 0 | 120.2 | ||||
| 1858 | P | 26.8 | Very low | 26.1 | Very low | 91 Ų | 91 | 94.7 Ų | 94.7 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | cis | -130 | -174 | -38 | 28.5 | -7.2 | 0 | 0 | 0 | 114.8 | ||||
| 1859 | H | 24.8 | Very low | 25.9 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 38% | 0.384 | 52% | 0.517 | S | S | . | . | trans | 64.2 | 128.6 | 159.5 | -56.6 | -56.9 | 0 | 0 | 0 | 121.5 | E1820 H1861 | E1820-H1859 IonicContact OE1-CE1 3.73Å; E1820-H1859 PolarHBondContact OE1-CE1 3.44Å; E1820-H1859 IonicContact OE1-ND1 2.75Å; E1820-H1859 PolarHBondContact OE1-ND1 3.25Å; E1820-H1859 VanDerWaalsContact OE1-ND1 3.11Å; H1859-H1861 AromaticContact CE1-NE2 3.69Å; H1859-H1861 AromaticContact CG-NE2 3.67Å; H1859-H1861 AromaticContact ND1-NE2 2.97Å; H1859-H1861 PolarHBondContact ND1-NE2 2.94Å | ||
| 1860 | Q | 26.5 | Very low | 25.8 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | trans | -150.7 | 151.9 | 134.9 | -160.2 | 151 | -23.2 | 0 | 0 | 109.3 | ||||
| 1861 | H | 26.7 | Very low | 25.6 | Very low | 39 Ų | 39 | 108.9 Ų | 108.9 | 18% | 0.181 | 54% | 0.542 | C | S | . | . | trans | -107.2 | 169.6 | -163.5 | -87.4 | -87.2 | 0 | 0 | 0 | 113.6 | Q1254 K1257 E1820 H1859 | Q1254-H1861 VanDerWaalsContact CG-CE1 3.48Å; Q1254-H1861 WeakPolarHBondContact CG-CE1 3.38Å; Q1254-H1861 WeakPolarHBondContact CG-ND1 3.28Å; Q1254-H1861 PolarHBondContact NE2-CE1 3.49Å; Q1254-H1861 PolarHBondContact NE2-ND1 3.38Å; Q1254-H1861 PolarHBondContact OE1-CE1 3Å; K1257-H1861 PolarHBondContact NZ-NE2 2.95Å; K1257-H1861 VanDerWaalsContact NZ-NE2 3.15Å; E1820-H1861 WeakPolarHBondContact CG-CE1 3.21Å; E1820-H1861 IonicContact OE1-CE1 3.32Å; E1820-H1861 PolarHBondContact OE1-CE1 2.89Å; E1820-H1861 IonicContact OE1-NE2 2.82Å; E1820-H1861 PolarHBondContact OE1-NE2 2.85Å; E1820-H1861 IonicContact OE2-CE1 3.51Å; E1820-H1861 PolarHBondContact OE2-CE1 3.21Å; E1820-H1861 IonicContact OE2-NE2 3.87Å; H1859-H1861 AromaticContact CE1-NE2 3.69Å; H1859-H1861 AromaticContact CG-NE2 3.67Å; H1859-H1861 AromaticContact ND1-NE2 2.97Å; H1859-H1861 PolarHBondContact ND1-NE2 2.94Å | ||
| 1862 | S | 24.6 | Very low | 25.5 | Very low | 30 Ų | 30 | 111 Ų | 111 | 21% | 0.21 | 55% | 0.554 | C | S | . | * | trans | -72.1 | 168.7 | 176.2 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | R1083 | R1083-S1862 PolarHBondContact NE-OG 3.5Š| ||
| 1863 | I | 26.6 | Very low | 25.5 | Very low | 29 Ų | 29 | 114.2 Ų | 114.2 | 15% | 0.149 | 56% | 0.563 | C | S | . | * | -168.3 | 173.5 | 87.6 | -82.6 | -153.3 | 0 | 0 | 0 | 112.4 | K1079 M1366 D1367 F1369 D1370 | K1079-I1863 PolarHBondContact NZ-O 3.16Å; M1366-I1863 WeakPolarHBondContact O-CA 3.36Å; M1366-I1863 WeakPolarHBondContact O-CB 3.49Å; M1366-I1863 WeakPolarHBondContact O-CG2 3.31Å; M1366-I1863 PolarHBondContact O-N 3Å; D1367-I1863 VanDerWaalsContact C-CD1 3.47Å; D1367-I1863 WeakPolarHBondContact O-CD1 3.3Å; F1369-I1863 HydrophobicContact CB-CG2 3.74Å; F1369-I1863 VanDerWaalsContact N-CG2 3.29Å; D1370-I1863 HydrophobicContact CB-CB 3.93Å; D1370-I1863 HydrophobicContact CB-CD1 3.22Å; D1370-I1863 HydrophobicContact CB-CG1 3.36Å; D1370-I1863 HydrophobicContact CB-CG2 4.08Å; D1370-I1863 VanDerWaalsContact OD2-CA 3.3Å; D1370-I1863 WeakPolarHBondContact OD2-CA 3.44Å | |||
| 1864 | P | 25.2 | Very low | 25.6 | Very low | 21 Ų | 21 | 106.5 Ų | 106.5 | 14% | 0.136 | 55% | 0.548 | C | S | . | . | trans | -132 | -154.8 | -135.6 | 50.6 | -40.3 | 0 | 0 | 0 | 118.9 | K1079 M1366 D1370 | K1079-P1864 HydrophobicContact CD-CB 3.74Å; M1366-P1864 WeakPolarHBondContact CE-O 3.15Å; D1370-P1864 HydrophobicContact CB-CG 3.75Å; D1370-P1864 VanDerWaalsContact CG-CD 3.48Å; D1370-P1864 WeakPolarHBondContact OD2-CB 3.49Å; D1370-P1864 WeakPolarHBondContact OD2-CD 3.31Å; D1370-P1864 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 1865 | I | 26.9 | Very low | 25.6 | Very low | 45 Ų | 45 | 106.2 Ų | 106.2 | 23% | 0.231 | 53% | 0.532 | C | S | . | . | trans | 89.7 | 120 | 160.6 | -77.8 | 161.1 | 0 | 0 | 0 | 112.9 | Q1065 F1369 T1373 | Q1065-I1865 PolarHBondContact NE2-O 2.88Å; F1369-I1865 HydrophobicContact CD1-CD1 3.79Å; F1369-I1865 HydrophobicContact CE1-CB 4.19Å; F1369-I1865 HydrophobicContact CE1-CD1 3.5Å; F1369-I1865 VanDerWaalsContact CE1-CD1 3.5Å; F1369-I1865 HydrophobicContact CE1-CG1 4.42Å; F1369-I1865 HydrophobicContact CE1-CG2 4.17Å; F1369-I1865 HydrophobicContact CZ-CD1 4.35Å; T1373-I1865 HydrophobicContact CG2-CD1 3.85Å; T1373-I1865 VanDerWaalsContact OG1-CD1 3.31Å; T1373-I1865 WeakPolarHBondContact OG1-CD1 3.38Å | ||
| 1866 | F | 25 | Very low | 25.6 | Very low | 112 Ų | 112 | 101.6 Ų | 101.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | cis | -162.4 | -174.8 | 15 | -136.9 | -157.6 | 0 | 0 | 0 | 116.3 | E1069 | E1069-F1866 PolarHBondContact OE1-N 3.31Š| ||
| 1867 | T | 23.6 | Very low | 25.5 | Very low | 92 Ų | 92 | 102.4 Ų | 102.4 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | trans | 78 | 162.9 | 170.4 | 86.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 1868 | K | 25.1 | Very low | 25.5 | Very low | 152 Ų | 152 | 107 Ų | 107 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | cis | -158.4 | 92.3 | 10.6 | -151.3 | 165.7 | -161.2 | 149.3 | 0 | 114.4 | E644 | E644-K1868 IonicContact OE2-NZ 3.95Å; E644-K1868 PolarHBondContact OE2-NZ 2.9Å | ||
| 1869 | Q | 25.1 | Very low | 25.4 | Very low | 183 Ų | 183 | 105.6 Ų | 105.6 | 86% | 0.855 | 52% | 0.518 | S | S | * | . | trans | -143 | 109.2 | 162.2 | -78.2 | -170 | 7 | 0 | 0 | 111.6 | ||||
| 1870 | R | 24.9 | Very low | 25.4 | Very low | 220 Ų | 220 | 109.4 Ų | 109.4 | 83% | 0.83 | 54% | 0.541 | S | S | * | . | 75.2 | 102.4 | 91.1 | -82.7 | -171.8 | 178.1 | 151.8 | 3.8 | 115.5 | |||||
| 1871 | D | 23.3 | Very low | 25.4 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 78% | 0.775 | 55% | 0.549 | S | S | * | . | trans | 50.3 | 116.6 | 144.1 | -62.8 | -56.7 | 0 | 0 | 0 | 120.9 | ||||
| 1872 | I | 26.6 | Very low | 25.3 | Very low | 122 Ų | 122 | 113.6 Ų | 113.6 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | -166.4 | 121.8 | 106.9 | -94.7 | 151.2 | 0 | 0 | 0 | 109.7 | R1624 | R1624-I1872 PolarHBondContact NH2-O 3.35Š| |||
| 1873 | R | 24.5 | Very low | 25.5 | Very low | 198 Ų | 198 | 117.9 Ų | 117.9 | 75% | 0.747 | 57% | 0.572 | S | S | * | * | trans | 31 | 129.5 | 146.2 | -47.1 | 177.7 | -165.5 | 177.3 | 5.4 | 117.5 | R1624 | R1624-R1873 PolarHBondContact NE-O 2.92Š| ||
| 1874 | G | 27.1 | Very low | 25.6 | Very low | 45 Ų | 45 | 118.9 Ų | 118.9 | 46% | 0.464 | 58% | 0.58 | S | S | . | * | 109.6 | 122.4 | 50.1 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 1875 | E | 24.7 | Very low | 25.4 | Very low | 81 Ų | 81 | 124 Ų | 124 | 38% | 0.379 | 60% | 0.602 | S | S | . | * | -156.8 | 169.9 | 67.3 | -90.9 | -77.3 | 115.9 | 0 | 0 | 112.8 | E1626 M1627 | E1626-E1875 HydrophobicContact CB-CB 3.91Å; E1626-E1875 HydrophobicContact CB-CG 4.28Å; M1627-E1875 HydrophobicContact CB-CG 3.88Å | |||
| 1876 | P | 28.2 | Very low | 25.2 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 43% | 0.429 | 62% | 0.623 | S | S | . | * | trans | -115.4 | -117.7 | -138.3 | 44.5 | -39.3 | 0 | 0 | 0 | 117.2 | K1623 | K1623-P1876 PolarHBondContact NZ-O 3.27Š| ||
| 1877 | L | 25.2 | Very low | 25.2 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | trans | -69.8 | 175.4 | -179.9 | -63.4 | 107.2 | 0 | 0 | 0 | 110.6 | ||||
| 1878 | W | 24.6 | Very low | 25.3 | Very low | 250 Ų | 250 | 133.2 Ų | 133.2 | 95% | 0.947 | 64% | 0.641 | S | S | * | * | cis | -145.7 | -173.4 | 42.7 | -83 | 74.2 | 0 | 0 | 0 | 109.4 | ||||
| 1879 | G | 25.4 | Very low | 25.3 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | cis | 165.1 | 174.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1880 | L | 24.2 | Very low | 25.6 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | trans | -60.3 | 134 | -179.9 | -77.9 | 106.3 | 0 | 0 | 0 | 112.3 | ||||
| 1881 | R | 25.2 | Very low | 25.6 | Very low | 201 Ų | 201 | 118.1 Ų | 118.1 | 76% | 0.758 | 61% | 0.606 | S | S | * | * | 61.7 | 125.7 | 79.9 | -163.8 | -161.5 | -174.9 | -165.2 | 5.1 | 114.1 | |||||
| 1882 | N | 26.4 | Very low | 25.9 | Very low | 54 Ų | 54 | 116.4 Ų | 116.4 | 29% | 0.289 | 60% | 0.601 | S | S | . | * | trans | -147.6 | 160.1 | 162 | -99 | -37 | 0 | 0 | 0 | 108 | R1666 E1692 I1693 | R1666-N1882 PolarHBondContact NH1-OD1 2.88Å; R1666-N1882 PolarHBondContact NH2-OD1 3.29Å; E1692-N1882 VanDerWaalsContact CD-ND2 3.27Å; E1692-N1882 HydrophobicContact CG-CB 4.35Å; E1692-N1882 WeakPolarHBondContact CG-ND2 3.21Å; E1692-N1882 PolarHBondContact OE1-ND2 3.08Å; I1693-N1882 HydrophobicContact CB-CB 4.34Å; I1693-N1882 HydrophobicContact CD1-CB 3.77Å; I1693-N1882 HydrophobicContact CG1-CB 3.9Å; I1693-N1882 HydrophobicContact CG2-CB 3.56Å; I1693-N1882 WeakPolarHBondContact CG2-O 3.32Å | ||
| 1883 | M | 29 | Very low | 26 | Very low | 119 Ų | 119 | 117 Ų | 117 | 59% | 0.586 | 60% | 0.601 | S | S | * | * | trans | -151 | 146.8 | 163.2 | 58.3 | 86.6 | -159.1 | 0 | 0 | 108.1 | I1693 | I1693-M1883 VanDerWaalsContact CD1-O 3.3Å; I1693-M1883 WeakPolarHBondContact CD1-O 3.16Å | ||
| 1884 | P | 26.8 | Very low | 26.2 | Very low | 51 Ų | 51 | 112.8 Ų | 112.8 | 33% | 0.331 | 59% | 0.586 | S | S | . | * | -156 | 171.6 | 56.5 | 47.9 | -28.3 | 0 | 0 | 0 | 120.4 | I1693 P1694 | I1693-P1884 VanDerWaalsContact CD1-N 3.32Å; P1694-P1884 VanDerWaalsContact CD-O 3.24Å; P1694-P1884 WeakPolarHBondContact CD-O 3.41Å; P1694-P1884 WeakPolarHBondContact CG-O 3.46Å | |||
| 1885 | H | 22.6 | Very low | 26.4 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | trans | 99.3 | 115.7 | 144.1 | -60.4 | -26 | 0 | 0 | 0 | 127.6 | E1695 | E1695-H1885 VanDerWaalsContact CD-N 3.25Å; E1695-H1885 PolarHBondContact OE1-N 2.72Å; E1695-H1885 IonicContact OE1-ND1 3.19Å; E1695-H1885 WeakPolarHBondContact OE2-CA 3.3Å; E1695-H1885 PolarHBondContact OE2-N 2.94Å | ||
| 1886 | L | 22.7 | Very low | 26.4 | Very low | 126 Ų | 126 | 112.9 Ų | 112.9 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | trans | 77.3 | 135.3 | 145.2 | -86.3 | 82.1 | 0 | 0 | 0 | 118.8 | E1695 | E1695-L1886 PolarHBondContact OE2-N 2.72Š| ||
| 1887 | T | 24.2 | Very low | 26.4 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | cis | -161.2 | 145.1 | 10.6 | -9.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1888 | R | 25.6 | Very low | 26.4 | Very low | 211 Ų | 211 | 118.4 Ų | 118.4 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | trans | 47.9 | 120.4 | 151.4 | -76.2 | -179.4 | 163.2 | 163.2 | -5.2 | 119.9 | ||||
| 1889 | S | 26.1 | Very low | 26.3 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | 83.4 | 140.6 | 50.4 | 81.8 | 0 | 0 | 0 | 0 | 116 | F1697 | F1697-S1889 VanDerWaalsContact CD1-N 3.35Š| |||
| 1890 | P | 30.2 | Very low | 26.3 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | cis | -144.5 | 145.3 | 11.8 | 41.6 | -21.8 | 0 | 0 | 0 | 118.8 | ||||
| 1891 | S | 25.6 | Very low | 26.3 | Very low | 84 Ų | 84 | 111.3 Ų | 111.3 | 59% | 0.587 | 59% | 0.585 | S | S | * | * | trans | 47.8 | 92.1 | 137.1 | 69 | 0 | 0 | 0 | 0 | 118.4 | E1698 | E1698-S1891 VanDerWaalsContact OE1-CA 3.31Å; E1698-S1891 WeakPolarHBondContact OE1-CA 3.46Å; E1698-S1891 PolarHBondContact OE1-N 3.31Å; E1698-S1891 PolarHBondContact OE2-N 2.9Å | ||
| 1892 | V | 29.7 | Very low | 26.2 | Very low | 109 Ų | 109 | 108.8 Ų | 108.8 | 66% | 0.661 | 58% | 0.581 | S | S | * | * | trans | -114.6 | 89 | 149.7 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | E1698 | E1698-V1892 PolarHBondContact OE1-N 3.14Š| ||
| 1893 | E | 29.1 | Very low | 26 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | trans | -41 | 160.4 | 157.4 | -84.7 | -162.8 | 122.7 | 0 | 0 | 114.9 | ||||
| 1894 | Y | 27.4 | Very low | 25.8 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 43% | 0.431 | 60% | 0.6 | S | S | . | * | trans | 72.9 | 101.1 | 139.6 | -87.5 | -133.6 | 0 | 0 | 0 | 120.3 | G54 | G54-Y1894 WeakPolarHBondContact CA-OH 3.42Š| ||
| 1895 | T | 31.6 | Very low | 25.8 | Very low | 61 Ų | 61 | 115.8 Ų | 115.8 | 37% | 0.374 | 61% | 0.613 | S | S | . | * | 79.1 | 175.8 | 119 | 72.8 | 0 | 0 | 0 | 0 | 119.9 | F57 H58 | F57-T1895 VanDerWaalsContact CB-CB 3.43Å; F57-T1895 HydrophobicContact CB-CG2 3.33Å; F57-T1895 HydrophobicContact CG-CG2 4.29Å; H58-T1895 HydrophobicContact CB-CG2 4.49Å | |||
| 1896 | S | 25.3 | Very low | 25.9 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | trans | 67.1 | 121.7 | -177 | 114.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1897 | K | 26.5 | Very low | 26 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | cis | -125.2 | 155.2 | -10.1 | -70.5 | 95.1 | -178.4 | 160.1 | 0 | 106.2 | ||||
| 1898 | Y | 26.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 51% | 0.506 | 62% | 0.62 | S | S | . | * | 48.2 | 134.1 | 63.5 | -77.1 | -144.3 | 0 | 0 | 0 | 109.5 | A56 F57 | A56-Y1898 HydrophobicContact CB-CE2 4.41Å; A56-Y1898 WeakPolarHBondContact CB-OH 3.44Å; F57-Y1898 HydrophobicContact CB-CD2 4.41Å; F57-Y1898 HydrophobicContact CB-CE2 4.05Å; F57-Y1898 HydrophobicContact CD1-CD1 4.21Å; F57-Y1898 AromaticContact CD1-CD2 3.24Å; F57-Y1898 HydrophobicContact CD1-CD2 3.24Å; F57-Y1898 HydrophobicContact CD1-CE1 4.21Å; F57-Y1898 AromaticContact CD1-CE2 3.25Å; F57-Y1898 HydrophobicContact CD1-CE2 3.25Å; F57-Y1898 AromaticContact CD1-CG 3.76Å; F57-Y1898 HydrophobicContact CD1-CG 3.76Å; F57-Y1898 AromaticContact CD1-CZ 3.74Å; F57-Y1898 AromaticContact CD2-CE2 3.83Å; F57-Y1898 HydrophobicContact CD2-CE2 3.83Å; F57-Y1898 AromaticContact CD2-CZ 3.87Å; F57-Y1898 AromaticContact CE1-CD1 3.65Å; F57-Y1898 HydrophobicContact CE1-CD1 3.65Å; F57-Y1898 AromaticContact CE1-CD2 3.58Å; F57-Y1898 HydrophobicContact CE1-CD2 3.58Å; F57-Y1898 AromaticContact CE1-CE1 3.63Å; F57-Y1898 HydrophobicContact CE1-CE1 3.63Å; F57-Y1898 AromaticContact CE1-CE2 3.57Å; F57-Y1898 HydrophobicContact CE1-CE2 3.57Å; F57-Y1898 AromaticContact CE1-CG 3.63Å; F57-Y1898 HydrophobicContact CE1-CG 3.63Å; F57-Y1898 AromaticContact CE1-CZ 3.57Å; F57-Y1898 HydrophobicContact CE2-CE1 4.22Å; F57-Y1898 HydrophobicContact CE2-CE2 4.11Å; F57-Y1898 AromaticContact CE2-CZ 3.7Å; F57-Y1898 AromaticContact CG-CD2 3.83Å; F57-Y1898 HydrophobicContact CG-CD2 3.83Å; F57-Y1898 AromaticContact CG-CE2 3.37Å; F57-Y1898 HydrophobicContact CG-CE2 3.37Å; F57-Y1898 AromaticContact CG-CZ 3.88Å; F57-Y1898 HydrophobicContact CZ-CD1 4.1Å; F57-Y1898 HydrophobicContact CZ-CD2 4.41Å; F57-Y1898 AromaticContact CZ-CE1 3.63Å; F57-Y1898 HydrophobicContact CZ-CE1 3.63Å; F57-Y1898 AromaticContact CZ-CE2 3.99Å; F57-Y1898 HydrophobicContact CZ-CE2 3.99Å; F57-Y1898 HydrophobicContact CZ-CG 4.47Å; F57-Y1898 AromaticContact CZ-CZ 3.55Å | |||
| 1899 | S | 22.9 | Very low | 26.6 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | -165.9 | 169.4 | 52.6 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1900 | P | 24.3 | Very low | 26.6 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 66% | 0.656 | 63% | 0.626 | S | S | * | * | cis | -136.5 | 175.1 | -40.7 | 41 | -26.7 | 0 | 0 | 0 | 112.3 | ||||
| 1901 | C | 25.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 78% | 0.777 | 62% | 0.624 | S | S | * | * | trans | -69.2 | 165.7 | 147.6 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1902 | Q | 22.1 | Very low | 26.4 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | 73.2 | 144.5 | -174.6 | -49.4 | 176 | -28.5 | 0 | 0 | 112.5 | ||||
| 1903 | Q | 23.3 | Very low | 26.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | cis | -162.4 | 155 | -6.4 | -122.2 | 164 | 13.6 | 0 | 0 | 108.4 | ||||
| 1904 | L | 24.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | trans | 69 | 152.9 | 159.1 | -61.8 | 167.5 | 0 | 0 | 0 | 111 | ||||
| 1905 | L | 26.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | 45.2 | 131.3 | 70.6 | -56.2 | 164.7 | 0 | 0 | 0 | 109.9 | R1907 | L1905-R1907 HydrophobicContact CB-CG 4.14Å; L1905-R1907 HydrophobicContact CD2-CG 3.72Å; L1905-R1907 HydrophobicContact CG-CG 4.44Å | |||
| 1906 | R | 23.8 | Very low | 26.8 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | -135.5 | 110.1 | 50.6 | -61.6 | -179.8 | -169.8 | -175.7 | 1 | 111.4 | |||||
| 1907 | R | 26.5 | Very low | 27.1 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | 94.9 | 175.2 | 77.2 | -82.1 | 167.9 | -170.2 | 174 | -1.2 | 108.8 | L1905 | L1905-R1907 HydrophobicContact CB-CG 4.14Å; L1905-R1907 HydrophobicContact CD2-CG 3.72Å; L1905-R1907 HydrophobicContact CG-CG 4.44Å | |||
| 1908 | Q | 34.6 | Very low | 27.4 | Very low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -49.5 | 126.6 | 137.8 | -76.6 | -110.4 | -12.9 | 0 | 0 | 109.9 | ||||
| 1909 | P | 27.1 | Very low | 27.6 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | -140.9 | 156.4 | 104.2 | 37.8 | -23.9 | 0 | 0 | 0 | 111.7 | |||||
| 1910 | Y | 25.1 | Very low | 28.1 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | cis | 60.5 | 75.1 | 44.3 | -82.1 | -71.5 | 0 | 0 | 0 | 115.3 | ||||
| 1911 | G | 26.2 | Very low | 28.5 | Very low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | trans | 74.8 | -177.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1912 | Y | 25.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | cis | -172.7 | 171.2 | -20.8 | -114.9 | -54.8 | 0 | 0 | 0 | 106.7 | Y1933 | Y1912-Y1933 AromaticContact CD1-CD1 3.44Å; Y1912-Y1933 HydrophobicContact CD1-CD1 3.44Å; Y1912-Y1933 VanDerWaalsContact CD1-CD1 3.44Å; Y1912-Y1933 AromaticContact CD1-CE1 3.37Å; Y1912-Y1933 HydrophobicContact CD1-CE1 3.37Å; Y1912-Y1933 AromaticContact CE1-CD1 3.33Å; Y1912-Y1933 HydrophobicContact CE1-CD1 3.33Å; Y1912-Y1933 AromaticContact CE1-CE1 3.66Å; Y1912-Y1933 HydrophobicContact CE1-CE1 3.66Å; Y1912-Y1933 HydrophobicContact CE1-CG 4.27Å; Y1912-Y1933 HydrophobicContact CG-CD1 4.18Å; Y1912-Y1933 HydrophobicContact CG-CE1 4.22Å | ||
| 1913 | E | 25.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | 81.7 | 116.4 | 165.1 | -66.8 | -177.3 | 169.8 | 0 | 0 | 121.6 | Y1933 | E1913-Y1933 HydrophobicContact CG-CD1 4.49Å; E1913-Y1933 HydrophobicContact CG-CE1 3.7Å | ||
| 1914 | T | 30.4 | Very low | 29.6 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | trans | -71.5 | 173.6 | 156 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | Y1933 | T1914-Y1933 PolarHBondContact OG1-OH 3.46Š| ||
| 1915 | P | 40.5 | Very low | 30.1 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | cis | -133.8 | -136.3 | 24.9 | 46.7 | -26.1 | 0 | 0 | 0 | 110.1 | I1917 | P1915-I1917 HydrophobicContact CB-CD1 4.44Š| ||
| 1916 | P | 30.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 71% | 0.705 | S | S | * | * | cis | -106.5 | 154.8 | -22.4 | 16 | 8.4 | 0 | 0 | 0 | 113 | ||||
| 1917 | I | 31.9 | Very low | 31 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | cis | 99.7 | 125.9 | 45 | -71.7 | 171 | 0 | 0 | 0 | 113.9 | P1915 | P1915-I1917 HydrophobicContact CB-CD1 4.44Š| ||
| 1918 | K | 33 | Very low | 31.2 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | trans | 84.4 | 137.7 | 166.5 | -76.6 | 157.6 | -173.1 | 172.9 | 0 | 119.3 | ||||
| 1919 | N | 30.8 | Very low | 31 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | cis | -173.7 | 171.7 | -26 | -122.1 | 7.1 | 0 | 0 | 0 | 113.4 | ||||
| 1920 | R | 33.2 | Very low | 31.3 | Very low | 235 Ų | 235 | 131.8 Ų | 131.8 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | 84.5 | 138.8 | 163.7 | -71.6 | -173.8 | 169.5 | 171 | -3.8 | 117 | ||||
| 1921 | S | 32 | Very low | 31.5 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | cis | -168 | 155.9 | -7.5 | 43 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1922 | N | 31.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 83.9 | 132.1 | 164.9 | -50.1 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 1923 | L | 30.9 | Very low | 31.9 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | cis | -152.9 | 164.7 | -11 | -148.6 | 69.4 | 0 | 0 | 0 | 111.7 | ||||
| 1924 | H | 31.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | trans | -77 | 174.1 | -179.6 | -112.5 | -124 | 0 | 0 | 0 | 113.1 | N1926 | H1924-N1926 PolarHBondContact ND1-OD1 3.44Š| ||
| 1925 | P | 35 | Very low | 31.8 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | cis | -148.9 | 140.1 | 36.7 | 38 | -14.5 | 0 | 0 | 0 | 121.8 | ||||
| 1926 | N | 34.7 | Very low | 31.3 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | 76.5 | 155.9 | 127.1 | -64.5 | 3.6 | 0 | 0 | 0 | 122.4 | H1924 | H1924-N1926 PolarHBondContact ND1-OD1 3.44Š| |||
| 1927 | P | 34.6 | Very low | 31.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -141.6 | 170.5 | -30.7 | 37.3 | -19.6 | 0 | 0 | 0 | 117.2 | ||||
| 1928 | S | 32 | Very low | 31.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | 67.5 | 140.2 | 154.6 | 56.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1929 | S | 29.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | cis | -172.2 | 151.8 | -14.1 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1930 | S | 31.9 | Very low | 31.6 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 74.5 | 152.3 | 153.8 | 78.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1931 | L | 31.3 | Very low | 31.6 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | cis | -166.7 | 136.2 | -26 | -123.1 | 112.9 | 0 | 0 | 0 | 111.3 | ||||
| 1932 | F | 28.5 | Very low | 31.4 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | trans | 55.4 | -160.7 | 146.5 | -75.4 | -113.5 | 0 | 0 | 0 | 121.9 | ||||
| 1933 | Y | 30.1 | Very low | 31.3 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 37% | 0.369 | 69% | 0.692 | S | S | . | * | trans | -116.9 | -168.8 | -154.8 | -64 | -115.5 | 0 | 0 | 0 | 111.3 | Y1912 E1913 T1914 | Y1912-Y1933 AromaticContact CD1-CD1 3.44Å; Y1912-Y1933 HydrophobicContact CD1-CD1 3.44Å; Y1912-Y1933 VanDerWaalsContact CD1-CD1 3.44Å; Y1912-Y1933 AromaticContact CD1-CE1 3.37Å; Y1912-Y1933 HydrophobicContact CD1-CE1 3.37Å; Y1912-Y1933 AromaticContact CE1-CD1 3.33Å; Y1912-Y1933 HydrophobicContact CE1-CD1 3.33Å; Y1912-Y1933 AromaticContact CE1-CE1 3.66Å; Y1912-Y1933 HydrophobicContact CE1-CE1 3.66Å; Y1912-Y1933 HydrophobicContact CE1-CG 4.27Å; Y1912-Y1933 HydrophobicContact CG-CD1 4.18Å; Y1912-Y1933 HydrophobicContact CG-CE1 4.22Å; E1913-Y1933 HydrophobicContact CG-CD1 4.49Å; E1913-Y1933 HydrophobicContact CG-CE1 3.7Å; T1914-Y1933 PolarHBondContact OG1-OH 3.46Å | ||
| 1934 | P | 30.1 | Very low | 31.1 | Very low | 101 Ų | 101 | 113.6 Ų | 113.6 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | cis | -143.4 | 163.8 | 0.2 | 43 | -23.1 | 0 | 0 | 0 | 119.9 | ||||
| 1935 | I | 23.2 | Very low | 31 | Very low | 130 Ų | 130 | 111.3 Ų | 111.3 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | trans | 56.7 | -149.7 | 158.4 | -45 | 168.5 | 0 | 0 | 0 | 115.7 | ||||
| 1936 | P | 31.2 | Very low | 30.7 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 66% | 0.656 | 64% | 0.644 | S | S | * | * | -107.5 | -145.3 | -125.9 | 39.7 | -22.7 | 0 | 0 | 0 | 118.1 | |||||
| 1937 | P | 38.3 | Very low | 30.4 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | -117.7 | -165 | -115.5 | 43.4 | -24.3 | 0 | 0 | 0 | 114.4 | |||||
| 1938 | P | 34.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 106.7 Ų | 106.7 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | cis | -118.5 | -178.9 | -13.6 | 30.7 | -9.7 | 0 | 0 | 0 | 114.1 | ||||
| 1939 | S | 29.2 | Very low | 30 | Very low | 127 Ų | 127 | 105.2 Ų | 105.2 | 89% | 0.888 | 62% | 0.615 | S | S | * | * | trans | -94.6 | 122.6 | -156.3 | 46.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1940 | G | 29.4 | Very low | 29.8 | Very low | 74 Ų | 74 | 108.2 Ų | 108.2 | 76% | 0.763 | 61% | 0.611 | S | S | * | * | trans | -120 | 155.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1941 | S | 32.8 | Very low | 29.7 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | trans | -67.3 | 141.3 | -167.4 | 70.3 | 0 | 0 | 0 | 0 | 116.1 | R1108 | R1108-S1941 PolarHBondContact NH1-OG 3.27Š| ||
| 1942 | H | 29.5 | Very low | 29.3 | Very low | 177 Ų | 177 | 107.3 Ų | 107.3 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | trans | -116.3 | 120.7 | 141 | -99.2 | -114.1 | 0 | 0 | 0 | 109.1 | ||||
| 1943 | I | 28.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 104.6 Ų | 104.6 | 42% | 0.415 | 59% | 0.588 | S | S | . | * | 77.9 | 92 | 75.5 | -58.2 | -110.3 | 0 | 0 | 0 | 111.4 | |||||
| 1944 | S | 27.8 | Very low | 28.8 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | trans | 72.3 | 169.4 | 144.5 | 88 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1945 | N | 28.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 106 Ų | 106 | 57% | 0.567 | 60% | 0.601 | S | S | * | * | cis | -117.1 | 128.5 | -9.2 | -97.5 | -52.6 | 0 | 0 | 0 | 108 | R1102 | R1102-N1945 PolarHBondContact NH2-O 2.79Š| ||
| 1946 | L | 28.8 | Very low | 28.5 | Very low | 30 Ų | 30 | 107.9 Ų | 107.9 | 16% | 0.157 | 61% | 0.606 | C | S | . | * | 73.5 | 159.8 | 85.9 | -93.5 | 65.7 | 0 | 0 | 0 | 113.7 | R1102 H1103 | R1102-L1946 HydrophobicContact CB-CD1 4.21Å; R1102-L1946 HydrophobicContact CG-CD1 4.22Å; R1102-L1946 VanDerWaalsContact CZ-N 3.31Å; R1102-L1946 VanDerWaalsContact NE-N 3.15Å; R1102-L1946 PolarHBondContact NH1-O 3.47Å; H1103-L1946 HydrophobicContact CB-CD1 4.31Å; H1103-L1946 VanDerWaalsContact CD2-CD2 3.47Å; H1103-L1946 WeakPolarHBondContact CD2-CD2 3.42Å; H1103-L1946 VanDerWaalsContact CE1-CD2 3.43Å; H1103-L1946 WeakPolarHBondContact CE1-CD2 3.36Å; H1103-L1946 VanDerWaalsContact ND1-CD1 3.33Å; H1103-L1946 WeakPolarHBondContact ND1-CD1 3.03Å; H1103-L1946 WeakPolarHBondContact NE2-CD2 3.05Å | |||
| 1947 | K | 27.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 107.4 Ų | 107.4 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | cis | -142 | 164.2 | -0.1 | -133.2 | 162.9 | -174 | 164.5 | 0 | 105.4 | ||||
| 1948 | A | 29.2 | Very low | 27.6 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | cis | -169.2 | 162.2 | 11 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1949 | H | 28.7 | Very low | 27 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 37% | 0.366 | 60% | 0.604 | S | S | . | * | 67.9 | 160.9 | 128.1 | -68.2 | -17.4 | 0 | 0 | 0 | 121.1 | K1100 D1101 | K1100-H1949 PolarHBondContact O-N 2.98Å; D1101-H1949 IonicContact OD1-CE1 3.65Å; D1101-H1949 IonicContact OD1-CG 3.71Å; D1101-H1949 IonicContact OD1-ND1 3.61Å; D1101-H1949 PolarHBondContact OD1-ND1 3.34Å | |||
| 1950 | R | 27.1 | Very low | 26.8 | Very low | 164 Ų | 164 | 110.4 Ų | 110.4 | 62% | 0.619 | 59% | 0.592 | S | S | * | * | cis | -144.2 | 150 | -13.3 | -129.9 | 165.4 | -145.4 | -168.3 | 5.2 | 113.5 | K1100 | K1100-R1950 WeakPolarHBondContact CD-O 3.44Å; K1100-R1950 WeakPolarHBondContact CE-O 3.43Å; K1100-R1950 PolarHBondContact NZ-O 3.28Å | ||
| 1951 | S | 28.2 | Very low | 26.6 | Very low | 53 Ų | 53 | 116 Ų | 116 | 37% | 0.371 | 59% | 0.592 | S | S | . | * | trans | 53.9 | 152.4 | 153.9 | 53.2 | 0 | 0 | 0 | 0 | 119.4 | K1100 | K1100-S1951 PolarHBondContact NZ-O 2.82Š| ||
| 1952 | F | 22.8 | Very low | 26.6 | Very low | 182 Ų | 182 | 117.6 Ų | 117.6 | 80% | 0.798 | 60% | 0.6 | S | S | * | * | cis | 77 | 168.5 | 19.4 | -91.8 | -100.6 | 0 | 0 | 0 | 117 | ||||
| 1953 | D | 26.7 | Very low | 26.3 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | trans | 74.6 | 96.8 | 178.7 | -39.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 1954 | T | 22.9 | Very low | 26.2 | Very low | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | 66.5 | 118.7 | 52.5 | 78.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1955 | N | 22.7 | Very low | 26.1 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | -177.8 | 154.4 | 116.3 | -99.5 | 23.1 | 0 | 0 | 0 | 112.5 | |||||
| 1956 | E | 23.9 | Very low | 25.9 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | 56.6 | 146.2 | 139.7 | -68.7 | 156.6 | 158.8 | 0 | 0 | 120.9 | ||||
| 1957 | S | 25.6 | Very low | 25.8 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | cis | -162.8 | 144.2 | -12.3 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1958 | L | 24 | Very low | 25.8 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | trans | 57.1 | 121.9 | 134.5 | -81.6 | 52.4 | 0 | 0 | 0 | 122.1 | ||||
| 1959 | E | 22.8 | Very low | 25.7 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | 122.2 | 128.4 | 107.9 | -87.3 | 172 | 177.8 | 0 | 0 | 122.9 | |||||
| 1960 | I | 25.3 | Very low | 25.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 65% | 0.651 | 67% | 0.672 | S | S | * | * | trans | 74.3 | 99.8 | 137.8 | -68 | 162.6 | 0 | 0 | 0 | 119.6 | ||||
| 1961 | Y | 25.4 | Very low | 25.3 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | 37.6 | 153.6 | 107.5 | -68.6 | -66.7 | 0 | 0 | 0 | 120.3 | H1963 | Y1961-H1963 AromaticContact CD1-CD2 3.78Å; Y1961-H1963 AromaticContact CD1-NE2 3.89Å; Y1961-H1963 AromaticContact CE1-NE2 3.93Å | |||
| 1962 | P | 31.7 | Very low | 25.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | cis | -142.9 | 167.8 | 26.9 | 48.4 | -31.3 | 0 | 0 | 0 | 117.9 | ||||
| 1963 | H | 24.9 | Very low | 25.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | 34.6 | 148.2 | 122.5 | -61.2 | -118.1 | 0 | 0 | 0 | 120.1 | Y1961 | Y1961-H1963 AromaticContact CD1-CD2 3.78Å; Y1961-H1963 AromaticContact CD1-NE2 3.89Å; Y1961-H1963 AromaticContact CE1-NE2 3.93Å | |||
| 1964 | E | 25 | Very low | 25.7 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | cis | -169.1 | 177.4 | 15.8 | -133.1 | 165.1 | -153.3 | 0 | 0 | 117 | ||||
| 1965 | L | 25.9 | Very low | 25.9 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | trans | 67.7 | 112.6 | 145.9 | -110.5 | 64.9 | 0 | 0 | 0 | 122.7 | ||||
| 1966 | T | 25.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | 66 | 143.4 | 129.7 | 49.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1967 | S | 26.1 | Very low | 26.4 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | cis | -163 | 172.4 | -4.2 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1968 | N | 27.8 | Very low | 26.6 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | 80.1 | 101.3 | 152.2 | -63.5 | -13.9 | 0 | 0 | 0 | 121.4 | ||||
| 1969 | M | 26 | Very low | 26.6 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | 79.2 | 96.3 | 124.2 | -62.6 | -179 | 107.3 | 0 | 0 | 121.3 | |||||
| 1970 | H | 25.4 | Very low | 26.6 | Very low | 147 Ų | 147 | 126 Ų | 126 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | 80.8 | 113.5 | 121.3 | -73.2 | -56 | 0 | 0 | 0 | 123.3 | |||||
| 1971 | F | 23.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | trans | 67.7 | 95.4 | 138.4 | -75.6 | -64.8 | 0 | 0 | 0 | 121.1 | ||||
| 1972 | Q | 28.1 | Very low | 26.5 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | 66.5 | 160.8 | 147.3 | -64.3 | 173.2 | -19.2 | 0 | 0 | 116.6 | ||||
| 1973 | P | 29.7 | Very low | 26.2 | Very low | 43 Ų | 43 | 123.1 Ų | 123.1 | 28% | 0.279 | 64% | 0.639 | S | S | . | * | cis | -121.2 | 168.6 | -44.8 | 22.3 | -2.5 | 0 | 0 | 0 | 112 | T2111 N2112 | P1973-T2111 HydrophobicContact CB-CG2 3.64Å; P1973-T2111 HydrophobicContact CG-CG2 3.63Å; P1973-T2111 WeakPolarHBondContact O-CG2 3.47Å; P1973-N2112 WeakPolarHBondContact CB-OD1 3.03Å; P1973-N2112 WeakPolarHBondContact CG-ND2 3.45Å | ||
| 1974 | V | 26.6 | Very low | 26.2 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -143.4 | 144.9 | 178.5 | -179 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1975 | P | 27.3 | Very low | 26.1 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 41% | 0.409 | 63% | 0.632 | S | S | . | * | trans | -112.3 | -147.6 | -173.5 | 48.5 | -37.3 | 0 | 0 | 0 | 112.7 | T2111 | P1975-T2111 HydrophobicContact CG-CG2 4.5Š| ||
| 1976 | P | 34.6 | Very low | 26.1 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | trans | -78.7 | 167.8 | -163.7 | 37.1 | -40.4 | 0 | 0 | 0 | 114.7 | ||||
| 1977 | P | 23.9 | Very low | 26 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | -147.5 | 170.5 | 111.8 | 38.2 | -22.7 | 0 | 0 | 0 | 116.5 | |||||
| 1978 | T | 29 | Very low | 26 | Very low | 102 Ų | 102 | 117 Ų | 117 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | trans | -87.9 | 154.4 | 176.7 | 52 | 0 | 0 | 0 | 0 | 114 | ||||
| 1979 | N | 23.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 113 Ų | 113 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | trans | -170.2 | 133.1 | 149.7 | -105.1 | -15.8 | 0 | 0 | 0 | 113.2 | Q1851 | Q1851-N1979 PolarHBondContact NE2-O 2.96Š| ||
| 1980 | Y | 23.7 | Very low | 25.8 | Very low | 159 Ų | 159 | 112.4 Ų | 112.4 | 62% | 0.624 | 58% | 0.58 | S | S | * | * | trans | 53.3 | 135.5 | 157.6 | -52.6 | -60.3 | 0 | 0 | 0 | 118.8 | Q1851 K1852 | Q1851-Y1980 PolarHBondContact NE2-O 3.47Å; K1852-Y1980 CarbonylContact O-C 3.59Å | ||
| 1981 | D | 25.2 | Very low | 25.7 | Very low | 65 Ų | 65 | 114 Ų | 114 | 35% | 0.348 | 58% | 0.582 | S | S | . | * | cis | -159.9 | -175.4 | 32.2 | -114.3 | -16.7 | 0 | 0 | 0 | 116.4 | G1850 Q1851 K1852 | G1850-D1981 VanDerWaalsContact C-OD2 3.28Å; G1850-D1981 WeakPolarHBondContact CA-OD2 3.47Å; Q1851-D1981 VanDerWaalsContact C-CB 3.5Å; Q1851-D1981 HydrophobicContact CB-CB 3.61Å; Q1851-D1981 WeakPolarHBondContact CB-OD2 3.39Å; Q1851-D1981 WeakPolarHBondContact O-CB 3.33Å; K1852-D1981 WeakPolarHBondContact O-CB 3.42Å; K1852-D1981 PolarHBondContact O-N 2.83Å | ||
| 1982 | W | 23.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 110.2 Ų | 110.2 | 61% | 0.614 | 58% | 0.575 | S | S | * | * | trans | -44.2 | 166.8 | 167.9 | 54.4 | -85.7 | 0 | 0 | 0 | 116.6 | Q1851 | Q1851-W1982 VanDerWaalsContact O-CE2 3.3Å; Q1851-W1982 WeakPolarHBondContact O-CZ2 3.47Å; Q1851-W1982 PolarHBondContact O-NE1 3.47Å | ||
| 1983 | E | 24.3 | Very low | 25.6 | Very low | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | cis | -155.2 | 140.5 | -6.5 | -113.3 | 153.6 | -142.1 | 0 | 0 | 106.3 | ||||
| 1984 | A | 24.4 | Very low | 25.5 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | 80.3 | 163.4 | 82.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | T755 | T755-A1984 HydrophobicContact CG2-CB 4Å; T755-A1984 VanDerWaalsContact OG1-C 3.23Å; T755-A1984 WeakPolarHBondContact OG1-CB 3.46Å | |||
| 1985 | K | 24.5 | Very low | 25.3 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 48% | 0.478 | 59% | 0.585 | S | S | . | * | trans | 91.1 | 107 | 179.2 | -122.5 | 147.3 | -164.9 | -178.3 | 0 | 116.2 | S754 T755 E1752 | S754-K1985 VanDerWaalsContact CB-CG 3.48Å; S754-K1985 WeakPolarHBondContact O-CE 3.43Å; T755-K1985 WeakPolarHBondContact OG1-CA 3.45Å; T755-K1985 WeakPolarHBondContact OG1-CB 3.17Å; T755-K1985 VanDerWaalsContact OG1-CG 3.25Å; T755-K1985 WeakPolarHBondContact OG1-CG 3.34Å; T755-K1985 PolarHBondContact OG1-N 2.96Å; E1752-K1985 IonicContact OE2-NZ 3.65Å | ||
| 1986 | Y | 25.1 | Very low | 25.2 | Very low | 180 Ų | 180 | 115.5 Ų | 115.5 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | trans | 85.6 | 103.8 | -177 | -64.9 | -86.4 | 0 | 0 | 0 | 115.1 | S754 | S754-Y1986 VanDerWaalsContact CB-N 3.26Š| ||
| 1987 | A | 24.3 | Very low | 24.8 | Very low | 51 Ų | 51 | 118.4 Ų | 118.4 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | cis | 79.6 | 145 | 45.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1988 | D | 24.8 | Very low | 24.6 | Very low | 62 Ų | 62 | 120.4 Ų | 120.4 | 33% | 0.332 | 59% | 0.59 | S | S | . | * | cis | -179 | 158.1 | -19.4 | -163.6 | -2.5 | 0 | 0 | 0 | 105.5 | K750 | K750-D1988 VanDerWaalsContact C-CB 3.41Å; K750-D1988 WeakPolarHBondContact CA-OD2 3.25Å; K750-D1988 HydrophobicContact CB-CB 4.16Å; K750-D1988 VanDerWaalsContact CB-OD1 3.26Å; K750-D1988 WeakPolarHBondContact CB-OD1 3.2Å; K750-D1988 VanDerWaalsContact CD-OD1 3.23Å; K750-D1988 WeakPolarHBondContact CD-OD1 3.2Å; K750-D1988 WeakPolarHBondContact CG-OD1 3.33Å; K750-D1988 CarbonylContact O-C 3.43Å; K750-D1988 WeakPolarHBondContact O-CB 3.36Å | ||
| 1989 | K | 24.5 | Very low | 24.3 | Very low | 51 Ų | 51 | 119.6 Ų | 119.6 | 22% | 0.222 | 59% | 0.588 | C | S | . | * | trans | 51.1 | 161 | -165.5 | -98.3 | 159 | -171.9 | 132.8 | 0 | 115.3 | D746 D747 K750 | D746-K1989 PolarHBondContact O-NZ 3.18Å; D747-K1989 VanDerWaalsContact O-CD 3.31Å; D747-K1989 WeakPolarHBondContact O-CD 3.01Å; D747-K1989 VanDerWaalsContact O-CE 3.27Å; D747-K1989 WeakPolarHBondContact O-CE 3.17Å; D747-K1989 PolarHBondContact O-NZ 3.41Å; D747-K1989 IonicContact OD1-NZ 2.73Å; K750-K1989 HydrophobicContact CB-CB 3.82Å; K750-K1989 HydrophobicContact CB-CD 3.53Å; K750-K1989 HydrophobicContact CB-CG 3.39Å; K750-K1989 HydrophobicContact CD-CG 4.14Å; K750-K1989 HydrophobicContact CG-CG 4.28Å; K750-K1989 WeakPolarHBondContact O-CB 3.35Å; K750-K1989 PolarHBondContact O-N 2.87Å; K750-K1989 VanDerWaalsContact O-N 3.12Å | ||
| 1990 | L | 25.8 | Very low | 24.2 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 76% | 0.764 | 60% | 0.597 | S | S | * | * | cis | -104.1 | 130.7 | -11.2 | -73.7 | 84.1 | 0 | 0 | 0 | 109.8 | ||||
| 1991 | Y | 22.6 | Very low | 24.2 | Very low | 181 Ų | 181 | 119.4 Ų | 119.4 | 71% | 0.71 | 60% | 0.6 | S | S | * | * | trans | -155.7 | 121.8 | 138.3 | -106 | -75 | 0 | 0 | 0 | 107.5 | K750 | K750-Y1991 PolarHBondContact NZ-O 2.78Š| ||
| 1992 | S | 24.6 | Very low | 24 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | trans | -133.1 | 128.6 | 166.3 | -51 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 1993 | H | 26.4 | Very low | 24 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 74% | 0.741 | 62% | 0.621 | S | S | * | * | 47.6 | 120.2 | 82.8 | -70.7 | -107.5 | 0 | 0 | 0 | 112 | |||||
| 1994 | Q | 26.1 | Very low | 23.9 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | cis | -162.9 | 151.2 | 3.3 | -132.7 | 171.1 | -68 | 0 | 0 | 111 | ||||
| 1995 | I | 23.9 | Very low | 23.9 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 70% | 0.703 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 133.3 | 146.7 | -65.5 | 171.5 | 0 | 0 | 0 | 106.6 | ||||
| 1996 | N | 25.4 | Very low | 24 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 47% | 0.465 | 65% | 0.65 | S | S | . | * | trans | -169.5 | 150.4 | 136.7 | -94.5 | -14.1 | 0 | 0 | 0 | 110.5 | R854 | R854-N1996 PolarHBondContact O-ND2 2.61Š| ||
| 1997 | E | 24.4 | Very low | 24.1 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | trans | -88.8 | -171.4 | -177.3 | -62.1 | -179.5 | 96.7 | 0 | 0 | 112.9 | ||||
| 1998 | E | 20.7 | Very low | 24.2 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | trans | 80.1 | 160 | 148.1 | -73.4 | -159.2 | 145.4 | 0 | 0 | 121.6 | ||||
| 1999 | S | 22.5 | Very low | 24.4 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | trans | 59.8 | 102.6 | 174.9 | 65.2 | 0 | 0 | 0 | 0 | 115.3 | V2001 | S1999-V2001 VanDerWaalsContact C-N 3.32Š| ||
| 2000 | I | 22.2 | Very low | 24.5 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | cis | 60.5 | 28.3 | 11.7 | -32.7 | -175 | 0 | 0 | 0 | 114.5 | ||||
| 2001 | V | 23.3 | Very low | 24.7 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | trans | -126.7 | 102.8 | 150.8 | -175.5 | 0 | 0 | 0 | 0 | 104.5 | S1999 | S1999-V2001 VanDerWaalsContact C-N 3.32Š| ||
| 2002 | K | 20.3 | Very low | 25 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | 65.4 | 151.9 | 67 | -64.4 | 179.5 | 177.2 | 175.5 | 0 | 112.5 | |||||
| 2003 | S | 23.1 | Very low | 25.2 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | 60.3 | 112 | -177.3 | 23.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2004 | T | 22.4 | Very low | 25.2 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | 60.2 | 155.6 | 59.4 | 78 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2005 | N | 25.8 | Very low | 25.3 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 97.7 | 130.6 | 173.2 | -49.6 | -2.8 | 0 | 0 | 0 | 113.8 | ||||
| 2006 | L | 26.6 | Very low | 25.3 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | cis | -160.3 | 160.2 | -13.7 | -147.5 | 90 | 0 | 0 | 0 | 111.4 | ||||
| 2007 | G | 26 | Very low | 25.4 | Very low | 54 Ų | 54 | 129.7 Ų | 129.7 | 56% | 0.557 | 73% | 0.728 | S | S | * | * | trans | 87.9 | 146.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2008 | I | 26.2 | Very low | 25.4 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | cis | -154.4 | 145.9 | 1 | -102.8 | 155.9 | 0 | 0 | 0 | 108.7 | ||||
| 2009 | D | 28.8 | Very low | 25.7 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | cis | -167 | 159.6 | -32.6 | -140 | -120.8 | 0 | 0 | 0 | 110.7 | ||||
| 2010 | Q | 27.9 | Very low | 26 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 61.8 | 170.2 | 154.8 | -87.1 | 170.1 | 65.5 | 0 | 0 | 119.9 | ||||
| 2011 | P | 30.6 | Very low | 26 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | cis | -126.9 | 172.1 | -9.2 | 32.7 | -14.5 | 0 | 0 | 0 | 116.1 | ||||
| 2012 | S | 28.1 | Very low | 26.2 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | 77.3 | 146.1 | 145.7 | 75.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2013 | N | 27.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -162.9 | 158.6 | -22.9 | -105.4 | -18 | 0 | 0 | 0 | 111 | ||||
| 2014 | F | 26.4 | Very low | 26.6 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | 62.2 | 142.2 | 175.8 | -57.8 | -79.7 | 0 | 0 | 0 | 116.1 | ||||
| 2015 | A | 28.6 | Very low | 26.7 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | -171.3 | 159.9 | -14.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2016 | S | 25.1 | Very low | 26.6 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | cis | -171.3 | 166.9 | -21.6 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2017 | T | 25.9 | Very low | 26.5 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 61.7 | 147.3 | 163.4 | 42.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2018 | S | 25.6 | Very low | 26.5 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | cis | -172.3 | 138.4 | -7.1 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2019 | Y | 27 | Very low | 26.8 | Very low | 216 Ų | 216 | 143.9 Ų | 143.9 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 69.9 | 141.2 | 153.3 | -75 | -124.4 | 0 | 0 | 0 | 117.4 | ||||
| 2020 | F | 27.5 | Very low | 26.9 | Very low | 179 Ų | 179 | 142 Ų | 142 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | 66.7 | 129.5 | 56.3 | -86.4 | -108.8 | 0 | 0 | 0 | 112.8 | |||||
| 2021 | D | 24.1 | Very low | 26.7 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | cis | -163.4 | -178.9 | -3.3 | -153.4 | -6.2 | 0 | 0 | 0 | 111.7 | ||||
| 2022 | N | 27.2 | Very low | 26.6 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 84.2 | 129.4 | 168.4 | -67.8 | -75.9 | 0 | 0 | 0 | 121.2 | ||||
| 2023 | F | 25.1 | Very low | 26.5 | Very low | 195 Ų | 195 | 143 Ų | 143 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | trans | 11 | 113.9 | 140.4 | -85.6 | -97 | 0 | 0 | 0 | 119.6 | ||||
| 2024 | R | 25.3 | Very low | 26.5 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | 164.5 | 145.1 | 114 | -95.4 | 171.5 | 167.4 | -179.1 | -3.7 | 115.6 | |||||
| 2025 | L | 24.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | 72.2 | 152.2 | 139.2 | -74.4 | 167.3 | 0 | 0 | 0 | 123.1 | ||||
| 2026 | K | 25.2 | Very low | 26.6 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | trans | 85.2 | 112 | 151.4 | -80.2 | 170.3 | -179.6 | 180 | 0 | 121.5 | ||||
| 2027 | K | 24.7 | Very low | 26.6 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -27.9 | 151.3 | 157.5 | -60.5 | 175.1 | 173.1 | -179.8 | 0 | 118 | ||||
| 2028 | S | 25.7 | Very low | 26.4 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | 72.5 | 157.1 | 139.8 | 68.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2029 | P | 31.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | cis | -128.4 | 155.1 | -23.6 | 29.9 | -11.9 | 0 | 0 | 0 | 114.8 | H2031 | P2029-H2031 PolarHBondContact O-N 3.4Š| ||
| 2030 | M | 31 | Very low | 26.4 | Very low | 62 Ų | 62 | 142.9 Ų | 142.9 | 31% | 0.305 | 69% | 0.69 | S | S | . | * | trans | -33.1 | 127.8 | 163.4 | 152.2 | -98.9 | -90.7 | 0 | 0 | 112.9 | Y408 W409 | Y408-M2030 HydrophobicContact CD1-CE 3.92Å; Y408-M2030 HydrophobicContact CE1-CE 3.59Å; W409-M2030 HydrophobicContact CB-CE 3.4Å; W409-M2030 VanDerWaalsContact CB-CE 3.4Å; W409-M2030 HydrophobicContact CB-SD 3.56Å; W409-M2030 VanDerWaalsContact CB-SD 3.56Å; W409-M2030 HydrophobicContact CD2-CB 3.63Å; W409-M2030 HydrophobicContact CD2-CE 2.27Å; W409-M2030 HydrophobicContact CD2-CG 3.32Å; W409-M2030 HydrophobicContact CD2-SD 2.4Å; W409-M2030 HydrophobicContact CE3-CB 3.6Å; W409-M2030 HydrophobicContact CE3-CE 3.25Å; W409-M2030 HydrophobicContact CE3-CG 3.88Å; W409-M2030 HydrophobicContact CE3-SD 3.45Å; W409-M2030 HydrophobicContact CG-CE 2.3Å; W409-M2030 HydrophobicContact CG-CG 4.08Å; W409-M2030 HydrophobicContact CG-SD 2.43Å; W409-M2030 HydrophobicContact CH2-CB 3.6Å; W409-M2030 HydrophobicContact CH2-CE 3.95Å; W409-M2030 HydrophobicContact CH2-CG 3.76Å; W409-M2030 HydrophobicContact CH2-SD 4.23Å; W409-M2030 HydrophobicContact CZ2-CB 3.65Å; W409-M2030 HydrophobicContact CZ2-CE 3.26Å; W409-M2030 HydrophobicContact CZ2-CG 3.21Å; W409-M2030 HydrophobicContact CZ2-SD 3.51Å; W409-M2030 VanDerWaalsContact CZ2-SD 3.51Å; W409-M2030 HydrophobicContact CZ3-CB 3.58Å; W409-M2030 HydrophobicContact CZ3-CE 3.94Å; W409-M2030 HydrophobicContact CZ3-CG 4.05Å; W409-M2030 HydrophobicContact CZ3-SD 4.2Å; W409-M2030 PolarHBondContact NE1-SD 3.25Å | ||
| 2031 | H | 23.4 | Very low | 26.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 51% | 0.505 | 67% | 0.667 | S | S | . | * | trans | -157.9 | 165.4 | 157 | -134.6 | -89.7 | 0 | 0 | 0 | 117.6 | P406 P2029 | P406-H2031 WeakPolarHBondContact CD-NE2 3.3Å; P406-H2031 WeakPolarHBondContact CG-NE2 3.46Å; P2029-H2031 PolarHBondContact O-N 3.4Å | ||
| 2032 | F | 28.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | trans | -72.9 | 145.6 | -174.1 | -111.4 | -151.9 | 0 | 0 | 0 | 116.8 | Q405 | Q405-F2032 HydrophobicContact CB-CD2 4.31Å; Q405-F2032 HydrophobicContact CB-CE2 4.46Å; Q405-F2032 HydrophobicContact CG-CD2 3.67Å; Q405-F2032 HydrophobicContact CG-CE1 4.31Å; Q405-F2032 HydrophobicContact CG-CE2 3.36Å; Q405-F2032 HydrophobicContact CG-CG 4.3Å; Q405-F2032 HydrophobicContact CG-CZ 3.72Å | ||
| 2033 | L | 26.9 | Very low | 26.6 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | trans | -149 | 96.6 | 141.7 | -88.8 | 157.9 | 0 | 0 | 0 | 106.6 | ||||
| 2034 | T | 26.6 | Very low | 26.6 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | 72.1 | 150.9 | 87.6 | 58.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2035 | P | 31.2 | Very low | 26.6 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | cis | -140.5 | -158.6 | -38.3 | 39.4 | -19.7 | 0 | 0 | 0 | 112.1 | ||||
| 2036 | Q | 25.6 | Very low | 26.6 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | trans | 69.3 | 148.5 | 177.8 | -31.1 | -59.6 | 2.5 | 0 | 0 | 115.2 | ||||
| 2037 | L | 25.8 | Very low | 26.5 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | cis | -107.1 | 145.8 | -22.6 | -78.9 | 84.4 | 0 | 0 | 0 | 109.3 | ||||
| 2038 | K | 22.8 | Very low | 26.5 | Very low | 184 Ų | 184 | 115.1 Ų | 115.1 | 80% | 0.8 | 60% | 0.596 | S | S | * | * | trans | -147.6 | 50.5 | 164.2 | -136.1 | 169.4 | -171.6 | 168.6 | 0 | 113.4 | K313 | K313-K2038 WeakPolarHBondContact CE-O 3.43Å; K313-K2038 PolarHBondContact NZ-O 2.78Å | ||
| 2039 | R | 24.4 | Very low | 26.2 | Very low | 191 Ų | 191 | 116.9 Ų | 116.9 | 72% | 0.721 | 59% | 0.592 | S | S | * | * | trans | -69.3 | 176 | 167.3 | -82.3 | -172.2 | 175.4 | -176.3 | -1.3 | 111.3 | ||||
| 2040 | H | 26.4 | Very low | 25.8 | Very low | 83 Ų | 83 | 119 Ų | 119 | 38% | 0.384 | 60% | 0.596 | S | S | . | * | trans | -23.8 | 137.7 | -176.5 | -59.2 | -61.9 | 0 | 0 | 0 | 119.5 | K313 V317 | K313-H2040 PolarHBondContact O-CE1 3.29Å; K313-H2040 VanDerWaalsContact O-CE1 3.3Å; V317-H2040 WeakPolarHBondContact CB-NE2 3.43Å; V317-H2040 WeakPolarHBondContact CG1-NE2 3.39Å; V317-H2040 WeakPolarHBondContact CG2-NE2 3.29Å | ||
| 2041 | Y | 26.6 | Very low | 25.2 | Very low | 77 Ų | 77 | 124 Ų | 124 | 30% | 0.302 | 62% | 0.616 | S | S | . | * | cis | 62.2 | 79.6 | -1.8 | -107.5 | -108.8 | 0 | 0 | 0 | 115.4 | D309 W310 K313 | D309-Y2041 HydrophobicContact CB-CD1 4.27Å; D309-Y2041 HydrophobicContact CB-CE1 3.61Å; D309-Y2041 VanDerWaalsContact O-CD1 3.25Å; D309-Y2041 WeakPolarHBondContact O-CD1 3.3Å; D309-Y2041 VanDerWaalsContact OD2-CE1 3.26Å; D309-Y2041 WeakPolarHBondContact OD2-CE1 3.42Å; D309-Y2041 PolarHBondContact OD2-OH 2.92Å; D309-Y2041 VanDerWaalsContact OD2-OH 3.07Å; W310-Y2041 HydrophobicContact CB-CD1 4.38Å; W310-Y2041 AromaticContact CD1-CD1 3.19Å; W310-Y2041 AromaticContact CD1-CD2 3.63Å; W310-Y2041 AromaticContact CD1-CE1 3.32Å; W310-Y2041 AromaticContact CD1-CE2 3.75Å; W310-Y2041 AromaticContact CD1-CG 3.3Å; W310-Y2041 AromaticContact CD1-CZ 3.56Å; W310-Y2041 HydrophobicContact CG-CD1 4.05Å; W310-Y2041 HydrophobicContact CG-CE1 4.37Å; W310-Y2041 HydrophobicContact CG-CG 4.22Å; W310-Y2041 AromaticContact NE1-CD1 3.82Å; W310-Y2041 AromaticContact NE1-CD2 3.32Å; W310-Y2041 VanDerWaalsContact NE1-CD2 3.32Å; W310-Y2041 AromaticContact NE1-CE2 3.52Å; W310-Y2041 AromaticContact NE1-CG 3.42Å; W310-Y2041 AromaticContact NE1-CZ 3.83Å; K313-Y2041 HydrophobicContact CB-CD1 4.15Å; K313-Y2041 HydrophobicContact CB-CG 4.47Å; K313-Y2041 HydrophobicContact CD-CD1 3.72Å; K313-Y2041 HydrophobicContact CD-CD2 4.41Å; K313-Y2041 HydrophobicContact CD-CG 3.59Å; K313-Y2041 HydrophobicContact CG-CD1 4.39Å | ||
| 2042 | I | 25.4 | Very low | 25.2 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 43% | 0.431 | 62% | 0.624 | S | S | . | * | trans | -162.9 | 143.2 | 163.4 | -109.1 | 166.9 | 0 | 0 | 0 | 110.2 | W310 A314 | W310-I2042 VanDerWaalsContact CE3-C 3.41Å; W310-I2042 WeakPolarHBondContact CZ3-O 3.42Å; A314-I2042 HydrophobicContact CB-CD1 3.69Å; A314-I2042 HydrophobicContact CB-CG1 3.63Å | ||
| 2043 | P | 31.9 | Very low | 25.5 | Very low | 25 Ų | 25 | 128.3 Ų | 128.3 | 16% | 0.162 | 64% | 0.643 | C | S | . | * | trans | -99.9 | -158.2 | -159.2 | 40.7 | -35.8 | 0 | 0 | 0 | 116.2 | Y307 W310 | Y307-P2043 HydrophobicContact CD1-CB 3.8Å; Y307-P2043 HydrophobicContact CE1-CB 4.37Å; W310-P2043 HydrophobicContact CB-CB 4Å; W310-P2043 HydrophobicContact CB-CG 4.29Å; W310-P2043 HydrophobicContact CD2-CB 4.44Å; W310-P2043 HydrophobicContact CE3-CB 3.71Å | ||
| 2044 | H | 24.9 | Very low | 25.4 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | 89 | 142.7 | 179.5 | -56.1 | -68.1 | 0 | 0 | 0 | 113.6 | ||||
| 2045 | T | 25 | Very low | 25.3 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | cis | -168.7 | 155.2 | 4.2 | -124 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2046 | I | 25.2 | Very low | 25 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 67% | 0.672 | 64% | 0.64 | S | S | * | * | trans | 44.7 | 100.5 | 144.3 | -59.1 | 178.1 | 0 | 0 | 0 | 118.1 | ||||
| 2047 | T | 23.5 | Very low | 24.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 68% | 0.681 | 63% | 0.626 | S | S | * | * | 54.6 | 154.2 | 129.2 | 79.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 2048 | T | 23.1 | Very low | 24.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | trans | 41.1 | 112 | 142.7 | 58.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2049 | Q | 20.1 | Very low | 24.8 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | trans | 106.2 | 102.8 | 145.6 | -48.3 | -143.2 | -1.4 | 0 | 0 | 120 | ||||
| 2050 | I | 22.6 | Very low | 24.7 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | 60.1 | 66.6 | 128.1 | -47 | 163.5 | 0 | 0 | 0 | 116.3 | |||||
| 2051 | K | 18.3 | Very low | 24.6 | Very low | 167 Ų | 167 | 124 Ų | 124 | 73% | 0.726 | 63% | 0.633 | S | S | * | * | trans | -151.4 | 128.8 | 157.2 | -55.9 | 178.3 | -168.3 | 124.4 | 0 | 106.6 | ||||
| 2052 | R | 23.6 | Very low | 24.5 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | cis | -137.8 | 143.8 | 2.1 | -66.8 | -172.6 | 150.1 | -125.9 | 11.1 | 107.6 | K2054 | R2052-K2054 HydrophobicContact CB-CB 4.01Å; R2052-K2054 VanDerWaalsContact CB-N 3.33Å; R2052-K2054 WeakPolarHBondContact CB-O 3.24Å; R2052-K2054 VanDerWaalsContact CD-O 3.25Å; R2052-K2054 WeakPolarHBondContact CD-O 3.42Å; R2052-K2054 HydrophobicContact CG-CB 3.75Å; R2052-K2054 HydrophobicContact CG-CG 4.24Å; R2052-K2054 VanDerWaalsContact NH1-C 3.29Å; R2052-K2054 PolarHBondContact NH1-O 3.23Å | ||
| 2053 | P | 36 | Very low | 24.5 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 92% | 0.916 | 65% | 0.646 | S | S | * | * | S | Bend | -106.1 | 31.5 | 100.5 | 30.5 | -36.4 | 0 | 0 | 0 | 112.6 | R2055 | P2053-R2055 PolarHBondContact O-N 3.09Š| |
| 2054 | K | 25 | Very low | 24.2 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 39% | 0.387 | 66% | 0.656 | S | S | . | * | trans | -58.6 | 131.2 | 156.6 | -57.9 | -173.3 | 178.7 | -168.1 | 0 | 109.1 | R2052 | R2052-K2054 HydrophobicContact CB-CB 4.01Å; R2052-K2054 VanDerWaalsContact CB-N 3.33Å; R2052-K2054 WeakPolarHBondContact CB-O 3.24Å; R2052-K2054 VanDerWaalsContact CD-O 3.25Å; R2052-K2054 WeakPolarHBondContact CD-O 3.42Å; R2052-K2054 HydrophobicContact CG-CB 3.75Å; R2052-K2054 HydrophobicContact CG-CG 4.24Å; R2052-K2054 VanDerWaalsContact NH1-C 3.29Å; R2052-K2054 PolarHBondContact NH1-O 3.23Å | ||
| 2055 | R | 24.9 | Very low | 24.3 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | cis | -166 | 106.5 | -5 | -118.7 | 172.9 | -175.8 | -166.7 | 0.3 | 104.2 | P2053 I2057 | P2053-R2055 PolarHBondContact O-N 3.09Å; R2055-I2057 HydrophobicContact CB-CG1 4.02Å; R2055-I2057 HydrophobicContact CG-CD1 4.37Å; R2055-I2057 HydrophobicContact CG-CG1 3.89Å; R2055-I2057 HydrophobicContact CG-CG2 4.28Å | ||
| 2056 | Q | 24.5 | Very low | 24.6 | Very low | 200 Ų | 200 | 125.4 Ų | 125.4 | 94% | 0.935 | 65% | 0.645 | S | S | * | * | trans | -92.3 | 82.7 | 135.9 | -78 | 179.5 | -18.7 | 0 | 0 | 105.5 | ||||
| 2057 | I | 22.7 | Very low | 24.7 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 48% | 0.482 | 65% | 0.647 | S | S | . | * | trans | -68.6 | 147.7 | 137.9 | 35.5 | 173.7 | 0 | 0 | 0 | 105.8 | R2055 | R2055-I2057 HydrophobicContact CB-CG1 4.02Å; R2055-I2057 HydrophobicContact CG-CD1 4.37Å; R2055-I2057 HydrophobicContact CG-CG1 3.89Å; R2055-I2057 HydrophobicContact CG-CG2 4.28Å | ||
| 2058 | H | 23.5 | Very low | 25.1 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | cis | -113.2 | 147.8 | 17.4 | -104.2 | -103.8 | 0 | 0 | 0 | 114.3 | ||||
| 2059 | A | 24.2 | Very low | 25.3 | Very low | 74 Ų | 74 | 124 Ų | 124 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | trans | 67.9 | 161.7 | 153 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2060 | T | 21.3 | Very low | 25.5 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | cis | 64.2 | 95.6 | 28.3 | -38.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2061 | V | 24.3 | Very low | 25.6 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 66% | 0.661 | 63% | 0.634 | S | S | * | * | 177.6 | 121.2 | 127.3 | 147.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 2062 | V | 24.5 | Very low | 25.9 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 33% | 0.333 | 64% | 0.635 | S | S | . | * | trans | 35.7 | 106.3 | 136.9 | -165.2 | 0 | 0 | 0 | 0 | 114.8 | F2064 | V2062-F2064 HydrophobicContact CG1-CD2 3.83Å; V2062-F2064 HydrophobicContact CG1-CE2 4.48Å | ||
| 2063 | N | 25.2 | Very low | 25.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | 58.4 | 159 | 75.3 | -162.9 | 9.3 | 0 | 0 | 0 | 113.1 | |||||
| 2064 | F | 26 | Very low | 25.3 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 39% | 0.386 | 63% | 0.627 | S | S | . | * | trans | 68.4 | 108 | 174.9 | -59.1 | -72.7 | 0 | 0 | 0 | 117.8 | L1719 V2062 | L1719-F2064 HydrophobicContact CD1-CD2 3.66Å; L1719-F2064 HydrophobicContact CD1-CE2 3.35Å; L1719-F2064 HydrophobicContact CD1-CG 4.45Å; L1719-F2064 HydrophobicContact CD1-CZ 3.91Å; L1719-F2064 HydrophobicContact CG-CD2 3.99Å; L1719-F2064 HydrophobicContact CG-CE2 4.18Å; V2062-F2064 HydrophobicContact CG1-CD2 3.83Å; V2062-F2064 HydrophobicContact CG1-CE2 4.48Å | ||
| 2065 | N | 27.7 | Very low | 25.4 | Very low | 106 Ų | 106 | 122 Ų | 122 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | 55.9 | 117.3 | 121.5 | -54.4 | 17.5 | 0 | 0 | 0 | 118.3 | |||||
| 2066 | N | 30.2 | Very low | 25.5 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | -164.1 | 131.1 | 83.2 | -98.4 | -21.8 | 0 | 0 | 0 | 110.9 | |||||
| 2067 | D | 28.6 | Very low | 25.6 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | 41 | 152 | 108.9 | -75.8 | 25.9 | 0 | 0 | 0 | 120.5 | |||||
| 2068 | P | 31 | Very low | 25.8 | Very low | 94 Ų | 94 | 117.3 Ų | 117.3 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | cis | -143.7 | -158.3 | -21.9 | 37 | -15.9 | 0 | 0 | 0 | 112.7 | ||||
| 2069 | T | 26.7 | Very low | 25.9 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | trans | 72.8 | 118.2 | 153.7 | 44.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2070 | R | 24.6 | Very low | 26 | Very low | 197 Ų | 197 | 117.7 Ų | 117.7 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | cis | 89.9 | 150.7 | 43 | -178.8 | -170 | 178.2 | -169.3 | -0.3 | 110.8 | ||||
| 2071 | F | 24.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | trans | 80.3 | 128.5 | -179.7 | -51.4 | -66.1 | 0 | 0 | 0 | 113.1 | ||||
| 2072 | E | 24.3 | Very low | 26.3 | Very low | 158 Ų | 158 | 117.1 Ų | 117.1 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | cis | -154.4 | 158.7 | -11.2 | -143.7 | 153.6 | -156.8 | 0 | 0 | 112.5 | ||||
| 2073 | C | 22.9 | Very low | 26.4 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | trans | -63.8 | 154.1 | 154.7 | -53.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2074 | N | 25.7 | Very low | 26.6 | Very low | 136 Ų | 136 | 118 Ų | 118 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | -167.2 | 144 | 105.8 | -97.4 | -34.1 | 0 | 0 | 0 | 116.3 | |||||
| 2075 | T | 26.4 | Very low | 26.7 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | trans | -16.7 | 144.8 | 150.6 | 49.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2076 | T | 26.9 | Very low | 26.7 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | -174.3 | 117.1 | 109.2 | 25.2 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 2077 | T | 26.3 | Very low | 26.7 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | 56.8 | 98.9 | 54.3 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2078 | N | 27.5 | Very low | 26.6 | Very low | 151 Ų | 151 | 115.9 Ų | 115.9 | 81% | 0.807 | 64% | 0.639 | S | S | * | * | trans | -172.7 | 148.9 | 140.3 | -94.3 | -18 | 0 | 0 | 0 | 109.1 | ||||
| 2079 | T | 26 | Very low | 26.6 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | cis | -179.6 | 167.6 | -40.9 | 19.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2080 | I | 25 | Very low | 26.4 | Very low | 150 Ų | 150 | 113.6 Ų | 113.6 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | 68.5 | 119.2 | 155.5 | -72.3 | 151 | 0 | 0 | 0 | 115.5 | ||||
| 2081 | T | 26.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 109.6 Ų | 109.6 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | cis | -148.8 | -151.2 | -7.4 | 31.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 2082 | T | 26.8 | Very low | 26.5 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | cis | -160 | 163.1 | 12.3 | -22.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2083 | T | 26.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | trans | -28.7 | 153.7 | 161.4 | 57.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2084 | T | 28.5 | Very low | 26.8 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | cis | -174.1 | 142.8 | 2.1 | 21.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 2085 | N | 28.2 | Very low | 26.8 | Very low | 117 Ų | 117 | 112.5 Ų | 112.5 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | trans | 59.6 | 111.6 | 139.3 | -64.7 | -13.8 | 0 | 0 | 0 | 121.8 | ||||
| 2086 | N | 28.5 | Very low | 26.8 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | 84.1 | 127.5 | 119.2 | -64.8 | -18.3 | 0 | 0 | 0 | 122.1 | |||||
| 2087 | N | 28.2 | Very low | 26.6 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | trans | 79.2 | 120.5 | 139.2 | -64.4 | -10.2 | 0 | 0 | 0 | 121.2 | ||||
| 2088 | N | 28.4 | Very low | 26.7 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 43% | 0.428 | 64% | 0.64 | S | S | . | * | 85.6 | 149.9 | 129.6 | -74 | 39.3 | 0 | 0 | 0 | 118.5 | Q1805 S1806 | Q1805-N2088 CarbonylContact O-C 3.28Å; Q1805-N2088 VanDerWaalsContact O-C 3.31Å; Q1805-N2088 PolarHBondContact O-N 3.26Å; S1806-N2088 WeakPolarHBondContact OG-CA 3.5Å; S1806-N2088 PolarHBondContact OG-N 2.93Å; S1806-N2088 PolarHBondContact OG-OD1 3.28Å | |||
| 2089 | P | 30.9 | Very low | 26.5 | Very low | 61 Ų | 61 | 120.1 Ų | 120.1 | 40% | 0.396 | 64% | 0.638 | S | S | . | * | -130.4 | -169.2 | -110.7 | 47.2 | -39.5 | 0 | 0 | 0 | 116.4 | Q1805 L1807 | Q1805-P2089 WeakPolarHBondContact O-CA 3.49Å; L1807-P2089 HydrophobicContact CB-CG 4.12Å; L1807-P2089 WeakPolarHBondContact O-CB 3.28Å; L1807-P2089 WeakPolarHBondContact O-CG 3.39Å | |||
| 2090 | C | 22.6 | Very low | 26.4 | Very low | 88 Ų | 88 | 122 Ų | 122 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | trans | 82.2 | 130.5 | 153.1 | -82.1 | 0 | 0 | 0 | 0 | 118.2 | L1807 | L1807-C2090 PolarHBondContact O-SG 3.43Å; L1807-C2090 VanDerWaalsContact O-SG 3.36Å | ||
| 2091 | T | 25.7 | Very low | 26.2 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | trans | 68.3 | 123.3 | 141.1 | 54.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2092 | N | 25.1 | Very low | 26.1 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | 84.6 | 155.6 | 129.8 | -69.8 | -14.9 | 0 | 0 | 0 | 120.8 | |||||
| 2093 | I | 25.3 | Very low | 26 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 72% | 0.718 | 64% | 0.636 | S | S | * | * | trans | 81.3 | 134.9 | 143.2 | -83.2 | 152.9 | 0 | 0 | 0 | 117.8 | ||||
| 2094 | I | 28.4 | Very low | 25.9 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | cis | -164.7 | -158.4 | -23.4 | -146.3 | 170.2 | 0 | 0 | 0 | 109 | ||||
| 2095 | Y | 25.5 | Very low | 25.8 | Very low | 192 Ų | 192 | 126 Ų | 126 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | trans | 87.7 | 138.4 | 167.8 | -48.5 | -65.2 | 0 | 0 | 0 | 116.2 | ||||
| 2096 | T | 26.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 125 Ų | 125 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | cis | -164.9 | 131 | -9.8 | 18.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2097 | R | 22.2 | Very low | 25.8 | Very low | 221 Ų | 221 | 125.7 Ų | 125.7 | 83% | 0.834 | 66% | 0.661 | S | S | * | * | trans | 59.6 | 178.1 | 142.8 | -60.4 | 179.7 | 177.5 | 177.5 | -0.8 | 116.7 | ||||
| 2098 | P | 27.8 | Very low | 25.7 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | cis | -129 | 156 | -9.7 | 37.6 | -20.6 | 0 | 0 | 0 | 116.6 | ||||
| 2099 | Y | 24.2 | Very low | 25.7 | Very low | 192 Ų | 192 | 131 Ų | 131 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | 63.8 | 166.2 | 133.7 | -72.2 | -138.9 | 0 | 0 | 0 | 119.7 | ||||
| 2100 | E | 22.5 | Very low | 25.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 65% | 0.654 | 68% | 0.684 | S | S | * | * | cis | -161.1 | 168.5 | -33.8 | -110.5 | -174.6 | 166.9 | 0 | 0 | 110.6 | ||||
| 2101 | F | 22.5 | Very low | 25.6 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | trans | 57.4 | 113.6 | 150.9 | -95.2 | -107.2 | 0 | 0 | 0 | 123.4 | ||||
| 2102 | T | 23.8 | Very low | 25.6 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | trans | 62.9 | 148.5 | 132.5 | 56 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 2103 | S | 25.1 | Very low | 25.6 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | cis | -166.9 | 170.2 | -17 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2104 | N | 24.6 | Very low | 25.6 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | 76.6 | 133.4 | 144.2 | -77.1 | 2 | 0 | 0 | 0 | 122.5 | ||||
| 2105 | I | 25.2 | Very low | 25.5 | Very low | 146 Ų | 146 | 129 Ų | 129 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | 73.4 | 86.3 | 145.4 | -63 | 164.9 | 0 | 0 | 0 | 114.8 | ||||
| 2106 | S | 27.1 | Very low | 25.5 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | cis | 98.4 | 162.7 | 47 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2107 | P | 30.9 | Very low | 25.4 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 66% | 0.658 | S | S | * | * | -132.2 | -131.7 | -83.4 | 35.2 | -13.6 | 0 | 0 | 0 | 110.3 | |||||
| 2108 | L | 26.2 | Very low | 25.5 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | trans | 70.5 | 137.9 | 173 | -88.5 | 62.8 | 0 | 0 | 0 | 116.2 | ||||
| 2109 | H | 27.3 | Very low | 25.4 | Very low | 144 Ų | 144 | 123.8 Ų | 123.8 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | cis | -161.1 | 161.7 | -18.3 | -142.8 | -132.3 | 0 | 0 | 0 | 111.4 | ||||
| 2110 | S | 27.1 | Very low | 25.5 | Very low | 58 Ų | 58 | 116.3 Ų | 116.3 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | trans | 30 | 143.5 | 138 | 73.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2111 | T | 25.6 | Very low | 25.7 | Very low | 62 Ų | 62 | 109.7 Ų | 109.7 | 38% | 0.38 | 58% | 0.575 | S | S | . | * | cis | -177.8 | 170.4 | 2.9 | 23.2 | 0 | 0 | 0 | 0 | 111.6 | P1973 P1975 | P1973-T2111 HydrophobicContact CB-CG2 3.64Å; P1973-T2111 HydrophobicContact CG-CG2 3.63Å; P1973-T2111 WeakPolarHBondContact O-CG2 3.47Å; P1975-T2111 HydrophobicContact CG-CG2 4.5Å | ||
| 2112 | N | 25.6 | Very low | 25.8 | Very low | 77 Ų | 77 | 102.5 Ų | 102.5 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | trans | 90 | 110 | 132.7 | -93.9 | 16.5 | 0 | 0 | 0 | 123.2 | P1973 | P1973-N2112 WeakPolarHBondContact CB-OD1 3.03Å; P1973-N2112 WeakPolarHBondContact CG-ND2 3.45Å | ||
| 2113 | F | 24.2 | Very low | 26 | Very low | 151 Ų | 151 | 97 Ų | 97 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | 83 | 128 | 110.5 | -94.4 | -138.1 | 0 | 0 | 0 | 120.7 | |||||
| 2114 | H | 25.2 | Very low | 26 | Very low | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | trans | 83.2 | 151.7 | 135.2 | -100.5 | -112.4 | 0 | 0 | 0 | 121.1 | ||||
| 2115 | N | 25.8 | Very low | 26.2 | Very low | 125 Ų | 125 | 86.8 Ų | 86.8 | 67% | 0.668 | 45% | 0.448 | S | S | * | . | trans | 79.5 | 126.2 | 149.2 | -75.7 | -2.8 | 0 | 0 | 0 | 119.4 | ||||
| 2116 | L | 26.5 | Very low | 26.2 | Very low | 139 Ų | 139 | 82 Ų | 82 | 73% | 0.728 | 43% | 0.426 | S | S | * | . | trans | 67.5 | 105.9 | 149 | -57.4 | 167.9 | 0 | 0 | 0 | 115.8 | ||||
| 2117 | Q | 24.6 | Very low | 26.2 | Very low | 145 Ų | 145 | 79.4 Ų | 79.4 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | 68.9 | 105.2 | 70.1 | -76.9 | -158.7 | -8.1 | 0 | 0 | 112.3 | |||||
| 2118 | Q | 24.6 | Very low | 25.9 | Very low | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | 65.5 | 124.4 | 103.9 | 179.2 | -166.9 | 121.3 | 0 | 0 | 116.5 | |||||
| 2119 | K | 25.3 | Very low | 25.9 | Very low | 106 Ų | 106 | 70.6 Ų | 70.6 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | trans | 67.6 | 174.2 | 159.3 | -62.8 | 167.7 | -168.4 | 163.2 | 0 | 113.5 | I1256 | I1256-K2119 HydrophobicContact CG2-CB 4.37Å; I1256-K2119 HydrophobicContact CG2-CG 4.31Å | ||
| 2120 | R | 25.4 | Very low | 26 | Very low | 34 Ų | 34 | 67 Ų | 67 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | cis | -147.1 | 145.2 | -19.3 | -129.4 | 154.8 | -147.5 | 170.7 | 22.6 | 112.4 | L261 F1252 I1253 I1256 | L261-R2120 HydrophobicContact CD2-CB 4.03Å; L261-R2120 HydrophobicContact CD2-CG 4.48Å; F1252-R2120 HydrophobicContact CE1-CG 4.36Å; F1252-R2120 HydrophobicContact CZ-CG 3.94Å; I1253-R2120 VanDerWaalsContact CD1-NH2 3.31Å; I1256-R2120 HydrophobicContact CB-CG 4.4Å; I1256-R2120 HydrophobicContact CD1-CG 3.5Å; I1256-R2120 HydrophobicContact CG1-CG 3.5Å; I1256-R2120 VanDerWaalsContact CG1-CG 3.5Å; I1256-R2120 HydrophobicContact CG2-CG 4.12Å | ||
| 2121 | T | 27.9 | Very low | 25.8 | Very low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | trans | 41.8 | 139.4 | 147.3 | 41 | 0 | 0 | 0 | 0 | 123.3 | F265 N268 F1252 I1256 L1259 | F265-T2121 HydrophobicContact CB-CG2 4.47Å; F265-T2121 HydrophobicContact CD2-CG2 4.2Å; N268-T2121 WeakPolarHBondContact ND2-CG2 3.37Å; F1252-T2121 HydrophobicContact CD2-CG2 4.42Å; F1252-T2121 HydrophobicContact CE2-CG2 3.16Å; F1252-T2121 HydrophobicContact CZ-CG2 3.38Å; I1256-T2121 HydrophobicContact CD1-CG2 3.86Å; I1256-T2121 HydrophobicContact CG1-CG2 3.91Å; L1259-T2121 HydrophobicContact CD1-CG2 4.33Å | ||
| 2122 | D | 24.6 | Very low | 25.8 | Very low | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | -143.8 | 146.2 | 117.9 | 28.2 | -68.1 | 0 | 0 | 0 | 113.7 | M1357 L1360 F1361 V1364 | M1357-D2122 HydrophobicContact CE-CB 3.98Å; M1357-D2122 VanDerWaalsContact CE-OD2 3.32Å; M1357-D2122 WeakPolarHBondContact CE-OD2 3.36Å; L1360-D2122 CarbonylContact C-O 3.56Å; L1360-D2122 VanDerWaalsContact CB-OD2 3.28Å; L1360-D2122 WeakPolarHBondContact CB-OD2 3.45Å; L1360-D2122 HydrophobicContact CD2-CB 4.46Å; L1360-D2122 WeakPolarHBondContact CD2-OD1 3.14Å; L1360-D2122 VanDerWaalsContact CD2-OD2 3.22Å; L1360-D2122 WeakPolarHBondContact CD2-OD2 3.27Å; L1360-D2122 HydrophobicContact CG-CB 4.27Å; L1360-D2122 VanDerWaalsContact CG-OD2 3.24Å; L1360-D2122 WeakPolarHBondContact CG-OD2 3.42Å; L1360-D2122 VanDerWaalsContact O-O 3.04Å; F1361-D2122 HydrophobicContact CD1-CB 3.8Å; F1361-D2122 HydrophobicContact CE1-CB 3.73Å; V1364-D2122 WeakPolarHBondContact CB-O 3.03Å; V1364-D2122 WeakPolarHBondContact CG2-O 3.05Å | |||
| 2123 | S | 27 | Very low | 25.8 | Very low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | trans | -156.2 | 40.3 | 156 | 64.2 | 0 | 0 | 0 | 0 | 115 | N268 L271 F1361 V1364 F2125 | N268-S2123 VanDerWaalsContact CA-O 3.26Å; N268-S2123 WeakPolarHBondContact CA-O 3.4Å; N268-S2123 WeakPolarHBondContact CB-OG 3.42Å; N268-S2123 PolarHBondContact ND2-N 3.36Å; N268-S2123 PolarHBondContact ND2-OG 3.5Å; N268-S2123 VanDerWaalsContact OD1-CA 3.28Å; N268-S2123 WeakPolarHBondContact OD1-CA 3.47Å; N268-S2123 PolarHBondContact OD1-N 2.87Å; L271-S2123 WeakPolarHBondContact CD1-O 3.46Å; F1361-S2123 VanDerWaalsContact CA-CA 3.41Å; F1361-S2123 VanDerWaalsContact CA-CB 3.44Å; F1361-S2123 WeakPolarHBondContact O-CB 3.44Å; V1364-S2123 WeakPolarHBondContact CB-OG 3.29Å; V1364-S2123 WeakPolarHBondContact CG1-OG 3.25Å; S2123-F2125 PolarHBondContact O-N 2.87Å | ||
| 2124 | S | 26.4 | Very low | 25.8 | Very low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -76.1 | 43 | -176 | -23.2 | 0 | 0 | 0 | 0 | 112.9 | F264 N268 F1361 T2126 | F264-S2124 WeakPolarHBondContact CA-OG 3.33Å; F264-S2124 WeakPolarHBondContact CB-OG 3.45Å; F264-S2124 WeakPolarHBondContact CD1-OG 3.08Å; F264-S2124 VanDerWaalsContact O-CB 3.25Å; F264-S2124 WeakPolarHBondContact O-CB 3.39Å; F264-S2124 PolarHBondContact O-OG 3.22Å; N268-S2124 PolarHBondContact OD1-N 3.16Å; N268-S2124 VanDerWaalsContact OD1-N 3.13Å; N268-S2124 PolarHBondContact OD1-OG 3.4Å; F1361-S2124 VanDerWaalsContact CE1-N 3.31Å; F1361-S2124 WeakPolarHBondContact CE1-OG 2.13Å; F1361-S2124 VanDerWaalsContact CE2-O 3.29Å; F1361-S2124 WeakPolarHBondContact CE2-O 3.04Å; F1361-S2124 VanDerWaalsContact CZ-C 3.48Å; F1361-S2124 WeakPolarHBondContact CZ-O 2.13Å; S2124-T2126 PolarHBondContact O-N 2.93Å | ||
| 2125 | F | 28.5 | Very low | 25.6 | Very low | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | trans | -46.4 | 26.9 | -175.1 | -132.6 | -73.8 | 0 | 0 | 0 | 119.4 | L271 F628 V1057 F1361 V1362 I1365 S2123 | L271-F2125 HydrophobicContact CB-CB 4.35Å; L271-F2125 VanDerWaalsContact CD1-CA 3.4Å; L271-F2125 HydrophobicContact CD1-CB 3.22Å; L271-F2125 HydrophobicContact CD2-CB 3.91Å; L271-F2125 HydrophobicContact CG-CB 4.04Å; F628-F2125 HydrophobicContact CE1-CD1 4.49Å; V1057-F2125 HydrophobicContact CB-CE1 3.92Å; V1057-F2125 HydrophobicContact CB-CZ 4.11Å; V1057-F2125 HydrophobicContact CG1-CE1 3.45Å; V1057-F2125 VanDerWaalsContact CG1-CE1 3.45Å; V1057-F2125 HydrophobicContact CG1-CZ 3.61Å; V1057-F2125 HydrophobicContact CG2-CD1 4.29Å; V1057-F2125 HydrophobicContact CG2-CE1 3.23Å; V1057-F2125 HydrophobicContact CG2-CZ 3.65Å; F1361-F2125 HydrophobicContact CB-CB 4.39Å; F1361-F2125 HydrophobicContact CB-CD2 3.37Å; F1361-F2125 HydrophobicContact CB-CE2 3.86Å; F1361-F2125 HydrophobicContact CB-CG 4.08Å; F1361-F2125 VanDerWaalsContact CD2-CA 3.46Å; F1361-F2125 HydrophobicContact CD2-CB 4.2Å; F1361-F2125 HydrophobicContact CD2-CD2 4.36Å; F1361-F2125 HydrophobicContact CD2-CG 4.27Å; F1361-F2125 HydrophobicContact CG-CD2 4.35Å; V1362-F2125 HydrophobicContact CB-CE2 4.28Å; V1362-F2125 HydrophobicContact CG2-CE2 3.46Å; V1362-F2125 VanDerWaalsContact CG2-CE2 3.46Å; V1362-F2125 HydrophobicContact CG2-CZ 3.58Å; I1365-F2125 HydrophobicContact CD1-CB 4.36Å; I1365-F2125 HydrophobicContact CD1-CD2 3.45Å; I1365-F2125 VanDerWaalsContact CD1-CD2 3.45Å; I1365-F2125 HydrophobicContact CD1-CE2 3.95Å; I1365-F2125 HydrophobicContact CD1-CG 4.1Å; I1365-F2125 HydrophobicContact CG1-CD2 4.36Å; S2123-F2125 PolarHBondContact O-N 2.87Å | ||
| 2126 | T | 24.6 | Very low | 25.6 | Very low | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.288 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -153.2 | 91.9 | 156.5 | 38.3 | 0 | 0 | 0 | 0 | 110.4 | L267 L625 F628 S2124 | L267-T2126 WeakPolarHBondContact CD2-OG1 3.44Å; L625-T2126 HydrophobicContact CD1-CG2 3.57Å; F628-T2126 HydrophobicContact CD1-CG2 4.22Å; S2124-T2126 PolarHBondContact O-N 2.93Å |
| 2127 | S | 26.1 | Very low | 25.3 | Very low | 43 Ų | 43 | 48 Ų | 48 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | trans | 178.5 | 53.9 | 158.6 | 30.8 | 0 | 0 | 0 | 0 | 111 | M232 | M232-S2127 WeakPolarHBondContact CE-OG 3.46Š| ||
| 2128 | S | 24.9 | Very low | 25.2 | Very low | 33 Ų | 33 | 45.4 Ų | 45.4 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -125.6 | 123.9 | 161.6 | 62.6 | 0 | 0 | 0 | 0 | 106.5 | ||
| 2129 | L | 26.4 | Very low | 25.1 | Very low | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 90.8 | 56.8 | -161 | -48.7 | 166.1 | 0 | 0 | 0 | 114.4 | T1011 F1048 P1049 V1053 | T1011-L2129 HydrophobicContact CG2-CD2 4.17Å; T1011-L2129 CarbonylContact O-C 3.05Å; T1011-L2129 VanDerWaalsContact O-C 3.28Å; T1011-L2129 WeakPolarHBondContact O-CA 3.45Å; T1011-L2129 WeakPolarHBondContact O-CB 3.25Å; T1011-L2129 WeakPolarHBondContact OG1-CD2 3.37Å; F1048-L2129 HydrophobicContact CD1-CD1 4.49Å; F1048-L2129 HydrophobicContact CE1-CD2 4.36Å; P1049-L2129 HydrophobicContact CB-CD1 3.92Å; P1049-L2129 HydrophobicContact CG-CB 4.27Å; P1049-L2129 HydrophobicContact CG-CD1 3.88Å; V1053-L2129 HydrophobicContact CG2-CD1 3.35Å; V1053-L2129 HydrophobicContact CG2-CG 4.37Å |
| 2130 | F | 28.9 | Very low | 25 | Very low | 68 Ų | 68 | 44.4 Ų | 44.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | trans | -148.2 | 155.7 | 159.6 | -62.6 | -55.3 | 0 | 0 | 0 | 107.6 | T584 T1012 | T584-F2130 HydrophobicContact CG2-CD1 4.26Å; T584-F2130 HydrophobicContact CG2-CE1 3.92Å; T584-F2130 VanDerWaalsContact O-CD1 3.22Å; T584-F2130 WeakPolarHBondContact O-CD1 3.35Å; T584-F2130 WeakPolarHBondContact O-CE1 3.49Å; T584-F2130 WeakPolarHBondContact O-CG 3.4Å; T1012-F2130 VanDerWaalsContact CA-C 3.41Å; T1012-F2130 VanDerWaalsContact CB-O 3.31Å; T1012-F2130 WeakPolarHBondContact CB-O 3.14Å; T1012-F2130 VanDerWaalsContact CG2-O 3.24Å; T1012-F2130 WeakPolarHBondContact CG2-O 3.44Å; T1012-F2130 CarbonylContact O-C 3.35Å; T1012-F2130 VanDerWaalsContact O-CA 3.25Å; T1012-F2130 WeakPolarHBondContact O-CA 3.26Å | ||
| 2131 | P | 24.4 | Very low | 25 | Very low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | trans | -95.4 | -149.6 | 169.2 | 42.6 | -25.9 | 0 | 0 | 0 | 106.4 | E586 T1012 E1014 G1314 | E586-P2131 HydrophobicContact CG-CG 3.63Å; E586-P2131 WeakPolarHBondContact OE1-CG 3.35Å; T1012-P2131 WeakPolarHBondContact O-CD 3.36Å; E1014-P2131 HydrophobicContact CG-CB 4.42Å; E1014-P2131 HydrophobicContact CG-CG 4.2Å; G1314-P2131 CarbonylContact O-C 3.35Å | ||
| 2132 | Q | 25 | Very low | 24.9 | Very low | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | trans | -128.9 | 144.3 | 135.6 | -54.9 | -174.3 | 8.9 | 0 | 0 | 106.1 | M232 E233 T1313 G1314 E1315 Q1318 Y2134 | M232-Q2132 VanDerWaalsContact O-CD 3.27Å; M232-Q2132 PolarHBondContact O-NE2 3.47Å; M232-Q2132 PolarHBondContact O-OE1 2.8Å; M232-Q2132 VanDerWaalsContact O-OE1 3.1Å; E233-Q2132 WeakPolarHBondContact OE2-CG 3.09Å; E233-Q2132 PolarHBondContact OE2-OE1 3.43Å; T1313-Q2132 PolarHBondContact O-NE2 2.89Å; G1314-Q2132 PolarHBondContact O-N 3.06Å; G1314-Q2132 VanDerWaalsContact O-N 3.16Å; E1315-Q2132 HydrophobicContact CB-CG 4.16Å; E1315-Q2132 HydrophobicContact CG-CG 4.47Å; Q1318-Q2132 PolarHBondContact NE2-O 2.75Å; Q2132-Y2134 PolarHBondContact O-N 2.99Å | ||
| 2133 | Y | 24.8 | Very low | 25.1 | Very low | 38 Ų | 38 | 57.1 Ų | 57.1 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | trans | -63.6 | 136.1 | -179.8 | -111.3 | -65.5 | 0 | 0 | 0 | 108.5 | Q581 E586 D587 E1014 N2135 | Q581-Y2133 HydrophobicContact CG-CE2 4.25Å; E586-Y2133 VanDerWaalsContact CD-CD2 3.48Å; E586-Y2133 HydrophobicContact CG-CD2 3.59Å; E586-Y2133 HydrophobicContact CG-CE2 4.24Å; E586-Y2133 HydrophobicContact CG-CG 4.3Å; E586-Y2133 WeakPolarHBondContact OE1-CD2 3.3Å; E586-Y2133 WeakPolarHBondContact OE1-CE2 3.03Å; D587-Y2133 HydrophobicContact CB-CD2 3.89Å; D587-Y2133 HydrophobicContact CB-CG 4.18Å; E1014-Y2133 HydrophobicContact CB-CD1 4.39Å; E1014-Y2133 HydrophobicContact CB-CE1 4Å; E1014-Y2133 HydrophobicContact CG-CD1 3.8Å; E1014-Y2133 HydrophobicContact CG-CE1 3.92Å; E1014-Y2133 HydrophobicContact CG-CG 4.3Å; E1014-Y2133 WeakPolarHBondContact OE1-CA 3.48Å; Y2133-N2135 PolarHBondContact O-N 3.12Å; Y2133-N2135 VanDerWaalsContact O-N 3.09Å | ||
| 2134 | Y | 24.5 | Very low | 25.3 | Very low | 42 Ų | 42 | 61.5 Ų | 61.5 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | trans | -54.4 | 120.8 | 171.3 | -127 | -128.4 | 0 | 0 | 0 | 108.4 | E1014 Q1291 N1316 E1319 D1323 Q2132 Y2136 | E1014-Y2134 PolarHBondContact OE1-N 2.82Å; Q1291-Y2134 HydrophobicContact CB-CE2 4.46Å; Q1291-Y2134 WeakPolarHBondContact CB-OH 3.47Å; Q1291-Y2134 HydrophobicContact CG-CE1 4.02Å; Q1291-Y2134 HydrophobicContact CG-CE2 3.44Å; Q1291-Y2134 VanDerWaalsContact CG-CE2 3.44Å; Q1291-Y2134 WeakPolarHBondContact CG-OH 3.2Å; N1316-Y2134 HydrophobicContact CB-CD2 3.6Å; N1316-Y2134 HydrophobicContact CB-CE2 3.86Å; N1316-Y2134 WeakPolarHBondContact ND2-CD2 3.48Å; N1316-Y2134 WeakPolarHBondContact O-CE2 3.41Å; E1319-Y2134 VanDerWaalsContact C-OH 3.29Å; E1319-Y2134 HydrophobicContact CB-CD2 3.39Å; E1319-Y2134 HydrophobicContact CB-CE2 2.86Å; E1319-Y2134 HydrophobicContact CB-CG 4.45Å; E1319-Y2134 HydrophobicContact CG-CD1 3.79Å; E1319-Y2134 HydrophobicContact CG-CD2 3.34Å; E1319-Y2134 HydrophobicContact CG-CE1 3.17Å; E1319-Y2134 HydrophobicContact CG-CE2 2.68Å; E1319-Y2134 HydrophobicContact CG-CG 3.87Å; E1319-Y2134 VanDerWaalsContact CG-OH 3.31Å; E1319-Y2134 WeakPolarHBondContact CG-OH 3.46Å; E1319-Y2134 PolarHBondContact O-OH 3.07Å; E1319-Y2134 VanDerWaalsContact OE1-CB 3.31Å; E1319-Y2134 WeakPolarHBondContact OE1-CB 3.13Å; E1319-Y2134 WeakPolarHBondContact OE1-CD1 3.24Å; E1319-Y2134 WeakPolarHBondContact OE1-CD2 3.49Å; E1319-Y2134 WeakPolarHBondContact OE1-CE1 3.41Å; E1319-Y2134 WeakPolarHBondContact OE1-CE2 3.4Å; E1319-Y2134 WeakPolarHBondContact OE2-CD1 3.36Å; E1319-Y2134 WeakPolarHBondContact OE2-CD2 3.49Å; E1319-Y2134 WeakPolarHBondContact OE2-CE1 3.3Å; E1319-Y2134 WeakPolarHBondContact OE2-CE2 3.39Å; E1319-Y2134 PolarHBondContact OE2-OH 3.07Å; D1323-Y2134 PolarHBondContact OD2-OH 2.91Å; Q2132-Y2134 PolarHBondContact O-N 2.99Å; Y2134-Y2136 PolarHBondContact O-N 2.85Å | ||
| 2135 | N | 22.3 | Very low | 25.3 | Very low | 53 Ų | 53 | 67.3 Ų | 67.3 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | trans | -65.2 | 84.7 | 173.1 | -175.3 | -0.1 | 0 | 0 | 0 | 108.1 | E237 Y2133 T2137 | E237-N2135 WeakPolarHBondContact OE1-CB 3.13Å; E237-N2135 PolarHBondContact OE1-ND2 2.99Å; E237-N2135 PolarHBondContact OE2-ND2 3.12Å; Y2133-N2135 PolarHBondContact O-N 3.12Å; Y2133-N2135 VanDerWaalsContact O-N 3.09Å; N2135-T2137 PolarHBondContact O-N 2.89Å | ||
| 2136 | Y | 24.6 | Very low | 25.2 | Very low | 157 Ų | 157 | 76 Ų | 76 | 62% | 0.616 | 39% | 0.389 | S | S | * | . | trans | -66.9 | 86.1 | 172.5 | -105.8 | -90 | 0 | 0 | 0 | 107 | Y2134 P2138 | Y2134-Y2136 PolarHBondContact O-N 2.85Å; Y2136-P2138 WeakPolarHBondContact O-CD 3.31Å | ||
| 2137 | T | 21.4 | Very low | 25.3 | Very low | 55 Ų | 55 | 79.2 Ų | 79.2 | 34% | 0.337 | 41% | 0.412 | S | S | . | . | trans | -43.7 | 116.1 | 142.2 | 56.2 | 0 | 0 | 0 | 0 | 105.6 | P171 T172 N2135 K2139 | P171-T2137 HydrophobicContact CB-CG2 4.46Å; P171-T2137 HydrophobicContact CG-CG2 4.43Å; T172-T2137 HydrophobicContact CG2-CG2 3.57Å; N2135-T2137 PolarHBondContact O-N 2.89Å; T2137-K2139 PolarHBondContact O-N 3.09Å | ||
| 2138 | P | 22.6 | Very low | 25.5 | Very low | 90 Ų | 90 | 84.2 Ų | 84.2 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | trans | -61 | 116.6 | -173.5 | 23 | -32.2 | 0 | 0 | 0 | 107.5 | Y2136 T2140 | Y2136-P2138 WeakPolarHBondContact O-CD 3.31Å; P2138-T2140 PolarHBondContact O-N 3.38Å | ||
| 2139 | K | 22.1 | Very low | 25.8 | Very low | 159 Ų | 159 | 89.4 Ų | 89.4 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | trans | -60.5 | 125.6 | 151.6 | -83.8 | -156.9 | 170.1 | -164.9 | 0 | 105.8 | T2137 D2141 | T2137-K2139 PolarHBondContact O-N 3.09Å; K2139-D2141 PolarHBondContact O-N 2.94Å | ||
| 2140 | T | 22.8 | Very low | 26 | Very low | 45 Ų | 45 | 94.8 Ų | 94.8 | 28% | 0.276 | 49% | 0.489 | S | S | . | . | trans | -75 | 61.6 | -169.9 | 3.1 | 0 | 0 | 0 | 0 | 109.8 | D979 P2138 Y2142 | D979-T2140 PolarHBondContact OD1-OG1 3.01Å; P2138-T2140 PolarHBondContact O-N 3.38Å; T2140-Y2142 HydrophobicContact CG2-CE2 4.06Å; T2140-Y2142 VanDerWaalsContact O-CD2 3.25Å; T2140-Y2142 WeakPolarHBondContact O-CD2 3.44Å; T2140-Y2142 PolarHBondContact O-N 2.87Å; T2140-Y2142 VanDerWaalsContact O-N 3.14Å | ||
| 2141 | D | 25.8 | Very low | 26.2 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | trans | -72.9 | 101.5 | 172.7 | -71.2 | -18.1 | 0 | 0 | 0 | 108.3 | V962 K2139 | V962-D2141 HydrophobicContact CG2-CB 4.27Å; K2139-D2141 PolarHBondContact O-N 2.94Å | ||
| 2142 | Y | 25.8 | Very low | 26.6 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | trans | -69.2 | 141.8 | -164.3 | -99.4 | -136.9 | 0 | 0 | 0 | 116.5 | Y977 N978 T2140 | Y977-Y2142 VanDerWaalsContact CB-CZ 3.42Å; Y977-Y2142 HydrophobicContact CD1-CD1 4.46Å; Y977-Y2142 HydrophobicContact CD1-CE1 4.23Å; Y977-Y2142 AromaticContact CD2-CD1 3.7Å; Y977-Y2142 HydrophobicContact CD2-CD1 3.7Å; Y977-Y2142 HydrophobicContact CD2-CE1 4.23Å; Y977-Y2142 AromaticContact CD2-CG 3.93Å; Y977-Y2142 HydrophobicContact CD2-CG 3.93Å; Y977-Y2142 HydrophobicContact CE2-CD1 4.38Å; Y977-Y2142 AromaticContact CG-CD1 3.73Å; Y977-Y2142 HydrophobicContact CG-CD1 3.73Å; Y977-Y2142 AromaticContact CG-CE1 3.77Å; Y977-Y2142 HydrophobicContact CG-CE1 3.77Å; Y977-Y2142 HydrophobicContact CG-CG 4.16Å; N978-Y2142 PolarHBondContact O-OH 2.98Å; T2140-Y2142 HydrophobicContact CG2-CE2 4.06Å; T2140-Y2142 VanDerWaalsContact O-CD2 3.25Å; T2140-Y2142 WeakPolarHBondContact O-CD2 3.44Å; T2140-Y2142 PolarHBondContact O-N 2.87Å; T2140-Y2142 VanDerWaalsContact O-N 3.14Å | ||
| 2143 | H | 28.3 | Very low | 27 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | trans | -5.8 | 160.7 | 137.8 | -77.6 | -74.6 | 0 | 0 | 0 | 119.3 | D561 | D561-H2143 PolarHBondContact O-CE1 3.29Å; D561-H2143 PolarHBondContact O-NE2 2.99Å | ||
| 2144 | P | 30.8 | Very low | 27.2 | Very low | 94 Ų | 94 | 117 Ų | 117 | 61% | 0.61 | 61% | 0.607 | S | S | * | * | cis | -144.6 | -161.9 | -30.2 | 39.9 | -19.9 | 0 | 0 | 0 | 113.1 | ||||
| 2145 | T | 25.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | 56.8 | 124.8 | 154.7 | 53.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2146 | Q | 27.9 | Very low | 28 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 91% | 0.907 | 67% | 0.667 | S | S | * | * | -141.9 | 134.1 | 127.4 | -155.2 | 160.2 | 8.8 | 0 | 0 | 109.4 | |||||
| 2147 | C | 26.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | trans | -89.9 | 150.9 | 172.8 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2148 | D | 29.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | trans | -73.9 | 143.1 | 162.4 | -68.1 | -47.5 | 0 | 0 | 0 | 110.4 | ||||
| 2149 | D | 31.4 | Very low | 29.3 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | 65.8 | 129.9 | 156.8 | -56.4 | -23.9 | 0 | 0 | 0 | 122.7 | ||||
| 2150 | D | 30.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 81.8 | 128.7 | 149.5 | -58.7 | -21 | 0 | 0 | 0 | 124.8 | ||||
| 2151 | D | 33.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 71.8 | 109.9 | 151.5 | -67 | -19.1 | 0 | 0 | 0 | 126 | ||||
| 2152 | E | 32 | Very low | 30.7 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | trans | 71.3 | 128.9 | 133.5 | -66.1 | -145.8 | 123.3 | 0 | 0 | 126.1 | ||||
| 2153 | L | 33.4 | Very low | 31 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | 79.1 | 97.7 | 139.3 | -100.6 | 67.8 | 0 | 0 | 0 | 124.1 | ||||
| 2154 | N | 29.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 46.7 | 110.3 | 119.9 | -75 | -46.6 | 0 | 0 | 0 | 121.8 | |||||
| 2155 | K | 32.9 | Very low | 31.3 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | -177.7 | 165.3 | 104 | -101.6 | 160.6 | -174.7 | 169.2 | 0 | 116.5 | |||||
| 2156 | T | 30.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -116.4 | 145.8 | -166.5 | 51.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 2157 | S | 31.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 169.2 | 115.4 | 141.6 | 35.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2158 | T | 31.1 | Very low | 32 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 56.4 | 129.7 | 82.9 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2159 | V | 33.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | -167.3 | 133.5 | 71 | 158 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2160 | N | 31.5 | Very low | 32.1 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 36.5 | 123.3 | 142.2 | -46.7 | -3.8 | 0 | 0 | 0 | 126.1 | ||||
| 2161 | Q | 30.1 | Very low | 32.2 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | -4 | 177.4 | 112.6 | -89.4 | -177.4 | -9.4 | 0 | 0 | 121.3 | |||||
| 2162 | P | 38.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -128.3 | -164.9 | -8.6 | 24.9 | 1.7 | 0 | 0 | 0 | 112.9 | ||||
| 2163 | E | 32.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | -179.9 | 151.3 | 68.8 | -89.7 | -163.6 | -177.9 | 0 | 0 | 115.4 | |||||
| 2164 | N | 32.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 61.5 | 144.4 | 140.3 | -69.6 | -35.9 | 0 | 0 | 0 | 122.5 | ||||
| 2165 | S | 33.4 | Very low | 32.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -170.8 | 158.4 | -4.5 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2166 | S | 34 | Very low | 32.7 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | 74.9 | 145.4 | 154.5 | 80.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2167 | S | 31.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -159.1 | 141.5 | 1.9 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2168 | C | 29.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 59 | 158.5 | 139.9 | -61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2169 | S | 30.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -178.3 | 153.1 | -9.9 | 45.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2170 | N | 31.5 | Very low | 32.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -164.7 | 162.5 | -6.3 | -113.4 | 51.1 | 0 | 0 | 0 | 109.2 | ||||
| 2171 | D | 34.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | 56.3 | 110.8 | 144.7 | -46.1 | -14.4 | 0 | 0 | 0 | 123 | ||||
| 2172 | D | 35.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | 72.7 | 133.9 | 112.8 | -51.4 | -14.6 | 0 | 0 | 0 | 124.5 | |||||
| 2173 | D | 34.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 47.7 | 118.5 | 137.1 | -57.2 | -12.8 | 0 | 0 | 0 | 122 | ||||
| 2174 | D | 35.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | -160.4 | 149.7 | 101.3 | -124.2 | -21.4 | 0 | 0 | 0 | 113.9 | |||||
| 2175 | D | 34 | Very low | 32.5 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -51.5 | 150 | -176.7 | -81 | -40.5 | 0 | 0 | 0 | 116.8 | ||||
| 2176 | G | 32.1 | Very low | 32.4 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 170.7 | 54.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | I2178 | G2176-I2178 PolarHBondContact O-N 3.45Š| ||
| 2177 | V | 27.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -10.3 | 113.2 | 164.1 | -178.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2178 | I | 31.6 | Very low | 32.4 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 100% | 1.231 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 0 | 140.6 | -102.7 | 158.1 | 0 | 0 | 0 | 109.4 | G2176 | G2176-I2178 PolarHBondContact O-N 3.45Š|
Retrieved 2,178 of 2,178 residues in 700.4 ms
(Link to these results)