| 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 | 29.5 | Very low | 32.4 | Very low | 253 Ų | 253 | 139.3 Ų | 139.3 | 100% | 1.246 | 83% | 0.834 | S | S | * | * | 0 | 144.5 | 0 | -65.4 | 175.3 | 178.2 | 0 | 0 | 108.1 | |||||
| 2 | G | 29.3 | Very low | 34.3 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 98.9 | 124.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | N | 33.9 | Very low | 36.8 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 54 | 69 | 170.3 | -64.2 | 12.5 | 0 | 0 | 0 | 118.1 | ||||
| 4 | Q | 31 | Very low | 39.5 | Very low | 195 Ų | 195 | 118.1 Ų | 118.1 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | trans | -93.2 | 127.1 | 130.9 | -82.1 | 179.6 | -47 | 0 | 0 | 107.8 | ||||
| 5 | L | 30.4 | Very low | 42 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 81% | 0.806 | 70% | 0.696 | S | S | * | * | trans | -158.2 | 146.3 | 163.6 | -104.8 | 173.8 | 0 | 0 | 0 | 109.3 | ||||
| 6 | T | 29.5 | Very low | 44.3 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 49.2 | 97 | 168.2 | 57.5 | 0 | 0 | 0 | 0 | 117.5 | ||
| 7 | G | 31.1 | Very low | 46.1 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | trans | 171.1 | 80.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S9 | G7-S9 VanDerWaalsContact C-N 3.33Å; G7-S9 PolarHBondContact O-N 3.02Å | ||
| 8 | L | 27.5 | Very low | 47.9 | Very low | 188 Ų | 188 | 104.3 Ų | 104.3 | 98% | 0.984 | 61% | 0.612 | S | S | * | * | trans | -81.8 | 68.9 | -171.8 | -74.6 | 165.3 | 0 | 0 | 0 | 113.2 | ||||
| 9 | S | 31.8 | Very low | 49.4 | Very low | 90 Ų | 90 | 102.2 Ų | 102.2 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -152.8 | 147.2 | 157.6 | 58.6 | 0 | 0 | 0 | 0 | 111 | G7 S11 | G7-S9 VanDerWaalsContact C-N 3.33Å; G7-S9 PolarHBondContact O-N 3.02Å; S9-S11 PolarHBondContact O-N 3Å |
| 10 | P | 35 | Very low | 50.5 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 122.7 | 160.2 | 28.1 | -31.9 | 0 | 0 | 0 | 107.2 | P12 | P10-P12 VanDerWaalsContact O-CD 3.31Å; P10-P12 WeakPolarHBondContact O-CD 3.38Å |
| 11 | S | 47.4 | Very low | 51.7 | Low | 82 Ų | 82 | 96.9 Ų | 96.9 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.3 | 175 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | S9 V13 K38 | S9-S11 PolarHBondContact O-N 3Å; S11-V13 PolarHBondContact O-N 3Å; S11-K38 WeakPolarHBondContact OG-CE 3.41Å; S11-K38 PolarHBondContact OG-NZ 2.75Å |
| 12 | P | 55.4 | Low | 53.7 | Low | 45 Ų | 45 | 88.9 Ų | 88.9 | 29% | 0.292 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 141.7 | -176.1 | -24.2 | 32.7 | 0 | 0 | 0 | 110.8 | P10 D16 Y17 K38 | P10-P12 VanDerWaalsContact O-CD 3.31Å; P10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-D16 VanDerWaalsContact CA-OD2 3.29Å; P12-D16 WeakPolarHBondContact CA-OD2 3.27Å; P12-D16 HydrophobicContact CB-CB 3.76Å; P12-D16 WeakPolarHBondContact CB-OD2 3.4Å; P12-Y17 HydrophobicContact CB-CD2 4.24Å; P12-Y17 HydrophobicContact CB-CE2 3.7Å; P12-Y17 HydrophobicContact CG-CE2 4.1Å; P12-K38 PolarHBondContact O-NZ 3.18Å |
| 13 | V | 67.2 | Low | 55.6 | Low | 76 Ų | 76 | 88 Ų | 88 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 150.3 | 175.3 | -172.1 | 0 | 0 | 0 | 0 | 108 | S11 E15 D16 | S11-V13 PolarHBondContact O-N 3Å; V13-E15 HydrophobicContact CB-CB 4.43Å; V13-E15 HydrophobicContact CG1-CB 3.93Å; V13-E15 PolarHBondContact O-N 3.35Å; V13-E15 VanDerWaalsContact O-N 3.16Å; V13-D16 PolarHBondContact N-OD2 3.38Å; V13-D16 WeakPolarHBondContact O-CB 3.26Å; V13-D16 PolarHBondContact O-N 3.44Å |
| 14 | V | 73.4 | Confident | 57.5 | Low | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -55.9 | -32.6 | 176.6 | 163.6 | 0 | 0 | 0 | 0 | 111.9 | Y17 L18 F27 E30 K38 A40 I57 | V14-Y17 PolarHBondContact O-N 3.42Å; V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.32Å; V14-F27 HydrophobicContact CB-CE2 4.3Å; V14-F27 HydrophobicContact CB-CZ 4.47Å; V14-F27 HydrophobicContact CG1-CD2 4.21Å; V14-F27 HydrophobicContact CG1-CE2 3.61Å; V14-F27 HydrophobicContact CG1-CZ 4.25Å; V14-E30 HydrophobicContact CB-CG 4.44Å; V14-E30 HydrophobicContact CG2-CB 4.47Å; V14-E30 HydrophobicContact CG2-CG 3.84Å; V14-E30 WeakPolarHBondContact CG2-OE1 3.39Å; V14-K38 HydrophobicContact CG2-CB 3.82Å; V14-K38 HydrophobicContact CG2-CD 3.54Å; V14-K38 HydrophobicContact CG2-CG 4.29Å; V14-A40 HydrophobicContact CG1-CB 3.53Å; V14-I57 HydrophobicContact CG1-CD1 4Å |
| 15 | E | 77.4 | Confident | 59.8 | Low | 111 Ų | 111 | 74.5 Ų | 74.5 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 171.6 | -163.4 | 164.2 | -162.9 | 0 | 0 | 113.2 | V13 Y17 L18 S19 F27 | V13-E15 HydrophobicContact CB-CB 4.43Å; V13-E15 HydrophobicContact CG1-CB 3.93Å; V13-E15 PolarHBondContact O-N 3.35Å; V13-E15 VanDerWaalsContact O-N 3.16Å; E15-Y17 VanDerWaalsContact C-N 3.29Å; E15-Y17 PolarHBondContact O-N 3.19Å; E15-L18 CarbonylContact O-C 3.6Å; E15-L18 PolarHBondContact O-N 3.18Å; E15-S19 PolarHBondContact O-N 3.2Å; E15-F27 HydrophobicContact CB-CD1 4.06Å; E15-F27 HydrophobicContact CB-CE1 4.27Å; E15-F27 HydrophobicContact CG-CD1 4.04Å |
| 16 | D | 78.9 | Confident | 62.3 | Low | 79 Ų | 79 | 70.8 Ų | 70.8 | 42% | 0.422 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 178.7 | -60 | -27 | 0 | 0 | 0 | 111.9 | P12 V13 L18 S19 | P12-D16 VanDerWaalsContact CA-OD2 3.29Å; P12-D16 WeakPolarHBondContact CA-OD2 3.27Å; P12-D16 HydrophobicContact CB-CB 3.76Å; P12-D16 WeakPolarHBondContact CB-OD2 3.4Å; V13-D16 PolarHBondContact N-OD2 3.38Å; V13-D16 WeakPolarHBondContact O-CB 3.26Å; V13-D16 PolarHBondContact O-N 3.44Å; D16-L18 VanDerWaalsContact C-N 3.35Å; D16-S19 PolarHBondContact O-OG 3.41Å |
| 17 | Y | 75.3 | Confident | 65 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -76.9 | -19.8 | 175.3 | -68.7 | -72.7 | 0 | 0 | 0 | 113.5 | P12 V14 E15 K38 I57 P59 | P12-Y17 HydrophobicContact CB-CD2 4.24Å; P12-Y17 HydrophobicContact CB-CE2 3.7Å; P12-Y17 HydrophobicContact CG-CE2 4.1Å; V14-Y17 PolarHBondContact O-N 3.42Å; E15-Y17 VanDerWaalsContact C-N 3.29Å; E15-Y17 PolarHBondContact O-N 3.19Å; Y17-K38 HydrophobicContact CE2-CD 4.43Å; Y17-I57 HydrophobicContact CD1-CG2 4.4Å; Y17-I57 HydrophobicContact CD2-CG2 4.48Å; Y17-I57 HydrophobicContact CG-CG2 4.03Å; Y17-P59 HydrophobicContact CE1-CB 3.93Å; Y17-P59 HydrophobicContact CE2-CB 4.36Å; Y17-P59 WeakPolarHBondContact OH-CB 3.38Å |
| 18 | L | 78.2 | Confident | 67.5 | Low | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -95.9 | -12.4 | 178.3 | -67.8 | 172.1 | 0 | 0 | 0 | 112.8 | V14 E15 D16 E20 L21 S22 V25 F27 A40 I42 A55 I57 | V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.32Å; E15-L18 CarbonylContact O-C 3.6Å; E15-L18 PolarHBondContact O-N 3.18Å; D16-L18 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.43Å; L18-L21 HydrophobicContact CD2-CD1 4.41Å; L18-L21 CarbonylContact O-C 3.53Å; L18-L21 WeakPolarHBondContact O-CA 3.44Å; L18-L21 PolarHBondContact O-N 3.07Å; L18-S22 PolarHBondContact O-N 3.38Å; L18-V25 HydrophobicContact CD2-CG2 4.5Å; L18-F27 HydrophobicContact CD1-CB 4.2Å; L18-F27 HydrophobicContact CD1-CD2 3.69Å; L18-F27 HydrophobicContact CD1-CE2 4.5Å; L18-F27 HydrophobicContact CD1-CG 4.28Å; L18-A40 HydrophobicContact CD1-CB 3.82Å; L18-I42 HydrophobicContact CD1-CG2 3.66Å; L18-I42 HydrophobicContact CD2-CG2 4.36Å; L18-A55 HydrophobicContact CD2-CB 4.28Å; L18-I57 HydrophobicContact CD1-CD1 4.24Å; L18-I57 HydrophobicContact CD2-CD1 3.88Å; L18-I57 HydrophobicContact CG-CD1 3.8Å |
| 19 | S | 76.3 | Confident | 70.2 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -57.7 | -36.5 | 175.9 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | E15 D16 L21 S22 | E15-S19 PolarHBondContact O-N 3.2Å; D16-S19 PolarHBondContact O-OG 3.41Å; S19-L21 PolarHBondContact O-N 2.89Å; S19-S22 VanDerWaalsContact O-CB 3.28Å; S19-S22 WeakPolarHBondContact O-CB 3.35Å; S19-S22 PolarHBondContact O-N 2.93Å; S19-S22 PolarHBondContact O-OG 3.02Å |
| 20 | E | 71.3 | Confident | 72.6 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.1 | -15.1 | 172.9 | -62.3 | -175.6 | -124.4 | 0 | 0 | 113.3 | L18 T96 R98 | L18-E20 PolarHBondContact O-N 3.43Å; E20-T96 HydrophobicContact CB-CG2 4.05Å; E20-T96 VanDerWaalsContact OE2-CB 3.31Å; E20-T96 WeakPolarHBondContact OE2-CB 3.48Å; E20-R98 WeakPolarHBondContact OE1-CD 3.38Å |
| 21 | L | 75.1 | Confident | 74.7 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -113.7 | 10.2 | 176.8 | -60.9 | 176.2 | 0 | 0 | 0 | 113.1 | L18 S19 G23 L24 V25 Y94 V101 | L18-L21 HydrophobicContact CD2-CD1 4.41Å; L18-L21 CarbonylContact O-C 3.53Å; L18-L21 WeakPolarHBondContact O-CA 3.44Å; L18-L21 PolarHBondContact O-N 3.07Å; S19-L21 PolarHBondContact O-N 2.89Å; L21-G23 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 2.56Å; L21-V25 HydrophobicContact CB-CG2 3.83Å; L21-V25 PolarHBondContact O-N 2.71Å; L21-Y94 HydrophobicContact CD1-CD2 4.44Å; L21-Y94 HydrophobicContact CD1-CG 4.32Å; L21-Y94 HydrophobicContact CD2-CD1 3.75Å; L21-Y94 HydrophobicContact CD2-CE1 4.31Å; L21-Y94 HydrophobicContact CD2-CG 3.92Å; L21-V101 HydrophobicContact CD1-CB 4.11Å; L21-V101 HydrophobicContact CD1-CG1 4.12Å; L21-V101 HydrophobicContact CD1-CG2 3.94Å |
| 22 | S | 71.6 | Confident | 75.7 | Confident | 85 Ų | 85 | 62 Ų | 62 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.6 | -171.5 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | L18 S19 | L18-S22 PolarHBondContact O-N 3.38Å; S19-S22 VanDerWaalsContact O-CB 3.28Å; S19-S22 WeakPolarHBondContact O-CB 3.35Å; S19-S22 PolarHBondContact O-N 2.93Å; S19-S22 PolarHBondContact O-OG 3.02Å |
| 23 | G | 70 | Confident | 76.1 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -16.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L21 | L21-G23 PolarHBondContact O-N 3.38Š|
| 24 | L | 73.7 | Confident | 76.2 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -33.2 | -176.6 | -63 | 172.3 | 0 | 0 | 0 | 112.3 | L21 V45 Y94 | L21-L24 PolarHBondContact O-N 2.56Å; L24-V45 WeakPolarHBondContact O-CB 3.37Å; L24-V45 PolarHBondContact O-N 3.26Å; L24-Y94 HydrophobicContact CD1-CE1 3.65Å |
| 25 | V | 80.1 | Confident | 75.9 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140.5 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | L18 L21 I42 R43 I103 | L18-V25 HydrophobicContact CD2-CG2 4.5Å; L21-V25 HydrophobicContact CB-CG2 3.83Å; L21-V25 PolarHBondContact O-N 2.71Å; V25-I42 HydrophobicContact CB-CB 4.35Å; V25-I42 HydrophobicContact CB-CD1 3.99Å; V25-I42 HydrophobicContact CG1-CD1 3.73Å; V25-I42 HydrophobicContact CG2-CD1 4.29Å; V25-R43 CarbonylContact C-O 3.48Å; V25-R43 VanDerWaalsContact CA-O 3.27Å; V25-R43 WeakPolarHBondContact CA-O 3.17Å; V25-I103 HydrophobicContact CG1-CD1 4.44Å |
| 26 | V | 82.8 | Confident | 75.7 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.7 | 169.8 | 173.5 | 0 | 0 | 0 | 0 | 109.2 | I42 R43 V45 | V26-I42 CarbonylContact O-C 3.58Å; V26-I42 VanDerWaalsContact O-CA 3.24Å; V26-I42 WeakPolarHBondContact O-CA 3.4Å; V26-R43 HydrophobicContact CB-CB 4.36Å; V26-R43 PolarHBondContact N-O 2.61Å; V26-R43 PolarHBondContact O-N 2.71Å; V26-V45 HydrophobicContact CG2-CG2 3.83Å |
| 27 | F | 85.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 60 Ų | 60 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.9 | 172.8 | 176.4 | -120.2 | 0 | 0 | 0 | 111 | V14 E15 L18 E29 E30 A40 | V14-F27 HydrophobicContact CB-CE2 4.3Å; V14-F27 HydrophobicContact CB-CZ 4.47Å; V14-F27 HydrophobicContact CG1-CD2 4.21Å; V14-F27 HydrophobicContact CG1-CE2 3.61Å; V14-F27 HydrophobicContact CG1-CZ 4.25Å; E15-F27 HydrophobicContact CB-CD1 4.06Å; E15-F27 HydrophobicContact CB-CE1 4.27Å; E15-F27 HydrophobicContact CG-CD1 4.04Å; L18-F27 HydrophobicContact CD1-CB 4.2Å; L18-F27 HydrophobicContact CD1-CD2 3.69Å; L18-F27 HydrophobicContact CD1-CE2 4.5Å; L18-F27 HydrophobicContact CD1-CG 4.28Å; F27-E29 WeakPolarHBondContact CE2-O 3.47Å; F27-E30 HydrophobicContact CZ-CB 4.21Å; F27-A40 HydrophobicContact CD2-CB 4.04Å; F27-A40 HydrophobicContact CE2-CB 3.94Å |
| 28 | E | 83 | Confident | 75.9 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -49 | 173.5 | -66.8 | -165.8 | 174.1 | 0 | 0 | 112.6 | K41 R43 | E28-K41 HydrophobicContact CB-CB 4.26Å; E28-K41 HydrophobicContact CB-CD 4.34Å; E28-K41 HydrophobicContact CB-CG 4.28Å; E28-K41 PolarHBondContact N-O 3.01Å; E28-K41 VanDerWaalsContact OE2-CD 3.28Å; E28-K41 WeakPolarHBondContact OE2-CD 3.36Å; E28-K41 WeakPolarHBondContact OE2-CE 3.41Å; E28-K41 IonicContact OE2-NZ 2.67Å; E28-K41 PolarHBondContact OE2-NZ 3.06Å; E28-R43 HydrophobicContact CG-CB 4.15Å; E28-R43 IonicContact OE1-CZ 3.87Å; E28-R43 IonicContact OE1-NE 2.73Å; E28-R43 PolarHBondContact OE1-NE 3.21Å; E28-R43 IonicContact OE1-NH2 2.82Å; E28-R43 PolarHBondContact OE1-NH2 2.87Å |
| 29 | E | 84.3 | Confident | 76.2 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 145.3 | -169 | -170.8 | 174.1 | -175 | 0 | 0 | 111.5 | F27 A40 K41 | F27-E29 WeakPolarHBondContact CE2-O 3.47Å; E29-A40 CarbonylContact O-C 3.47Å; E29-A40 WeakPolarHBondContact O-CA 3.3Å; E29-K41 HydrophobicContact CB-CB 4.16Å; E29-K41 PolarHBondContact N-O 3.38Å; E29-K41 PolarHBondContact O-N 2.95Å |
| 30 | E | 82.4 | Confident | 76.7 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121 | 168.4 | -179.8 | 167.3 | -174.5 | 0 | 0 | 109.9 | V14 F27 | V14-E30 HydrophobicContact CB-CG 4.44Å; V14-E30 HydrophobicContact CG2-CB 4.47Å; V14-E30 HydrophobicContact CG2-CG 3.84Å; V14-E30 WeakPolarHBondContact CG2-OE1 3.39Å; F27-E30 HydrophobicContact CZ-CB 4.21Å |
| 31 | L | 79.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 158.8 | 178.2 | -61 | 176.4 | 0 | 0 | 0 | 110.3 | G33 V39 K41 V54 F106 | L31-G33 PolarHBondContact O-N 3.41Å; L31-V39 HydrophobicContact CB-CB 4.23Å; L31-V39 HydrophobicContact CB-CG1 3.97Å; L31-V39 HydrophobicContact CD1-CG1 4.2Å; L31-V39 PolarHBondContact N-O 2.9Å; L31-K41 HydrophobicContact CD1-CB 4.02Å; L31-K41 HydrophobicContact CD2-CB 4.3Å; L31-K41 HydrophobicContact CG-CB 4.09Å; L31-V54 HydrophobicContact CD1-CG1 4.44Å; L31-V54 HydrophobicContact CD1-CG2 4.2Å; L31-F106 HydrophobicContact CD1-CD2 4.49Å; L31-F106 HydrophobicContact CD1-CE2 4.23Å |
| 32 | C | 69.6 | Low | 78 | Confident | 141 Ų | 141 | 54.5 Ų | 54.5 | 95% | 0.953 | 31% | 0.305 | S | S | * | . | trans | -61.2 | 95 | 179.8 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 33 | G | 63.4 | Low | 78.6 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -76.7 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L31 F37 | L31-G33 PolarHBondContact O-N 3.41Å; G33-F37 CarbonylContact C-O 3.57Å; G33-F37 WeakPolarHBondContact CA-O 3.2Å | ||
| 34 | S | 68.6 | Low | 78.9 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | trans | -96.8 | 175 | 173 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | L36 F37 | S34-L36 PolarHBondContact O-N 3.34Å; S34-L36 VanDerWaalsContact O-N 3.13Å; S34-L36 PolarHBondContact OG-N 2.65Å; S34-F37 PolarHBondContact N-O 2.83Å; S34-F37 VanDerWaalsContact O-O 3.09Å; S34-F37 PolarHBondContact OG-N 3.47Å | ||
| 35 | R | 68.1 | Low | 78.7 | Confident | 169 Ų | 169 | 53.5 Ų | 53.5 | 64% | 0.638 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -65.4 | -10.2 | 170.2 | -58.8 | -165.3 | -169.4 | -163 | -0.9 | 113.9 | T199 | R35-T199 VanDerWaalsContact CD-O 3.25Å; R35-T199 WeakPolarHBondContact CD-O 3.47Å; R35-T199 PolarHBondContact NE-O 3.46Å; R35-T199 VanDerWaalsContact NH2-CG2 3.26Å |
| 36 | L | 71.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -104.8 | -37.4 | -177.3 | -169.2 | 67.3 | 0 | 0 | 0 | 112.5 | S34 F58 F185 F201 | S34-L36 PolarHBondContact O-N 3.34Å; S34-L36 VanDerWaalsContact O-N 3.13Å; S34-L36 PolarHBondContact OG-N 2.65Å; L36-F58 HydrophobicContact CD1-CD2 4.34Å; L36-F58 HydrophobicContact CD1-CE2 3.8Å; L36-F58 HydrophobicContact CG-CD2 4.4Å; L36-F58 HydrophobicContact CG-CE2 4.34Å; L36-F58 WeakPolarHBondContact O-CD2 3.46Å; L36-F185 HydrophobicContact CD2-CE2 3.93Å; L36-F201 HydrophobicContact CD1-CD1 4.47Å; L36-F201 HydrophobicContact CD1-CE1 4.21Å; L36-F201 HydrophobicContact CD2-CD1 3.95Å; L36-F201 HydrophobicContact CD2-CE1 4.3Å |
| 37 | F | 76.7 | Confident | 76.3 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | trans | -125.9 | 128.3 | 178 | -64.5 | -95 | 0 | 0 | 0 | 110.9 | G33 S34 V39 K56 I57 F58 L102 F185 | G33-F37 CarbonylContact C-O 3.57Å; G33-F37 WeakPolarHBondContact CA-O 3.2Å; S34-F37 PolarHBondContact N-O 2.83Å; S34-F37 VanDerWaalsContact O-O 3.09Å; S34-F37 PolarHBondContact OG-N 3.47Å; F37-V39 HydrophobicContact CB-CG2 4.43Å; F37-K56 HydrophobicContact CB-CB 4.42Å; F37-K56 HydrophobicContact CD1-CB 3.88Å; F37-K56 HydrophobicContact CE1-CB 4.5Å; F37-K56 HydrophobicContact CG-CB 4.35Å; F37-I57 CarbonylContact C-O 3.58Å; F37-I57 VanDerWaalsContact CA-O 3.28Å; F37-I57 WeakPolarHBondContact CA-O 3.4Å; F37-F58 HydrophobicContact CD1-CB 3.94Å; F37-F58 HydrophobicContact CE1-CB 3.8Å; F37-L102 HydrophobicContact CE1-CD1 3.92Å; F37-L102 HydrophobicContact CZ-CD1 4.33Å; F37-F185 AromaticContact CE2-CE2 3.62Å; F37-F185 HydrophobicContact CE2-CE2 3.62Å; F37-F185 AromaticContact CE2-CZ 3.5Å; F37-F185 HydrophobicContact CE2-CZ 3.5Å; F37-F185 AromaticContact CZ-CE2 3.74Å; F37-F185 HydrophobicContact CZ-CE2 3.74Å; F37-F185 AromaticContact CZ-CZ 3.59Å; F37-F185 HydrophobicContact CZ-CZ 3.59Å | ||
| 38 | K | 81.6 | Confident | 74.5 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.6 | 154.5 | -56.4 | -160.8 | -178 | -163.3 | 0 | 108.3 | S11 P12 V14 Y17 I57 | S11-K38 WeakPolarHBondContact OG-CE 3.41Å; S11-K38 PolarHBondContact OG-NZ 2.75Å; P12-K38 PolarHBondContact O-NZ 3.18Å; V14-K38 HydrophobicContact CG2-CB 3.82Å; V14-K38 HydrophobicContact CG2-CD 3.54Å; V14-K38 HydrophobicContact CG2-CG 4.29Å; Y17-K38 HydrophobicContact CE2-CD 4.43Å; K38-I57 HydrophobicContact CB-CB 4.43Å; K38-I57 PolarHBondContact N-O 3.22Å; K38-I57 PolarHBondContact O-N 2.87Å |
| 39 | V | 84.6 | Confident | 73 | Confident | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.1 | -177.4 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L31 F37 V54 A55 K56 | L31-V39 HydrophobicContact CB-CB 4.23Å; L31-V39 HydrophobicContact CB-CG1 3.97Å; L31-V39 HydrophobicContact CD1-CG1 4.2Å; L31-V39 PolarHBondContact N-O 2.9Å; F37-V39 HydrophobicContact CB-CG2 4.43Å; V39-V54 HydrophobicContact CG1-CG1 3.48Å; V39-V54 VanDerWaalsContact CG1-CG1 3.48Å; V39-A55 CarbonylContact C-O 3.54Å; V39-A55 WeakPolarHBondContact CA-O 3.48Å; V39-K56 HydrophobicContact CG1-CG 4.29Å; V39-K56 HydrophobicContact CG2-CD 4.31Å; V39-K56 HydrophobicContact CG2-CG 4.11Å |
| 40 | A | 86.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V14 L18 F27 E29 I42 V54 A55 | V14-A40 HydrophobicContact CG1-CB 3.53Å; L18-A40 HydrophobicContact CD1-CB 3.82Å; F27-A40 HydrophobicContact CD2-CB 4.04Å; F27-A40 HydrophobicContact CE2-CB 3.94Å; E29-A40 CarbonylContact O-C 3.47Å; E29-A40 WeakPolarHBondContact O-CA 3.3Å; A40-I42 HydrophobicContact CB-CG2 3.95Å; A40-V54 CarbonylContact O-C 3.58Å; A40-V54 WeakPolarHBondContact O-CA 3.13Å; A40-A55 HydrophobicContact CB-CB 4.3Å; A40-A55 PolarHBondContact N-O 2.78Å; A40-A55 PolarHBondContact O-N 3.21Å |
| 41 | K | 87.6 | Confident | 71.1 | Confident | 23 Ų | 23 | 60 Ų | 60 | 10% | 0.1 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.1 | 154.7 | -163.3 | -176.3 | -179.4 | -143.4 | 0 | 107.5 | E28 E29 L31 F106 | E28-K41 HydrophobicContact CB-CB 4.26Å; E28-K41 HydrophobicContact CB-CD 4.34Å; E28-K41 HydrophobicContact CB-CG 4.28Å; E28-K41 PolarHBondContact N-O 3.01Å; E28-K41 VanDerWaalsContact OE2-CD 3.28Å; E28-K41 WeakPolarHBondContact OE2-CD 3.36Å; E28-K41 WeakPolarHBondContact OE2-CE 3.41Å; E28-K41 IonicContact OE2-NZ 2.67Å; E28-K41 PolarHBondContact OE2-NZ 3.06Å; E29-K41 HydrophobicContact CB-CB 4.16Å; E29-K41 PolarHBondContact N-O 3.38Å; E29-K41 PolarHBondContact O-N 2.95Å; L31-K41 HydrophobicContact CD1-CB 4.02Å; L31-K41 HydrophobicContact CD2-CB 4.3Å; L31-K41 HydrophobicContact CG-CB 4.09Å; K41-F106 HydrophobicContact CD-CD2 4.2Å; K41-F106 HydrophobicContact CD-CE1 4.39Å; K41-F106 HydrophobicContact CD-CE2 3.88Å; K41-F106 HydrophobicContact CD-CZ 3.99Å; K41-F106 HydrophobicContact CG-CD2 3.96Å; K41-F106 HydrophobicContact CG-CE2 4.07Å; K41-F106 HydrophobicContact CG-CG 4.45Å |
| 42 | I | 87.3 | Confident | 71 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 167.2 | -178.6 | 55.2 | 154.6 | 0 | 0 | 0 | 109.7 | L18 V25 V26 A40 S52 L53 A55 I103 | L18-I42 HydrophobicContact CD1-CG2 3.66Å; L18-I42 HydrophobicContact CD2-CG2 4.36Å; V25-I42 HydrophobicContact CB-CB 4.35Å; V25-I42 HydrophobicContact CB-CD1 3.99Å; V25-I42 HydrophobicContact CG1-CD1 3.73Å; V25-I42 HydrophobicContact CG2-CD1 4.29Å; V26-I42 CarbonylContact O-C 3.58Å; V26-I42 VanDerWaalsContact O-CA 3.24Å; V26-I42 WeakPolarHBondContact O-CA 3.4Å; A40-I42 HydrophobicContact CB-CG2 3.95Å; I42-S52 CarbonylContact O-C 3.55Å; I42-S52 VanDerWaalsContact O-CA 3.32Å; I42-S52 WeakPolarHBondContact O-CA 3.49Å; I42-L53 HydrophobicContact CD1-CB 4.05Å; I42-L53 HydrophobicContact CG1-CB 3.9Å; I42-L53 WeakPolarHBondContact CG1-O 3.26Å; I42-L53 PolarHBondContact N-O 3.37Å; I42-L53 PolarHBondContact O-N 2.84Å; I42-A55 HydrophobicContact CD1-CB 3.89Å; I42-A55 HydrophobicContact CG1-CB 4.08Å; I42-A55 HydrophobicContact CG2-CB 4.04Å; I42-I103 HydrophobicContact CD1-CD1 3.87Å; I42-I103 HydrophobicContact CD1-CG1 4.34Å; I42-I103 HydrophobicContact CD1-CG2 4.14Å |
| 43 | R | 83 | Confident | 71.6 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.4 | -179.7 | -179.6 | -177.3 | -64.3 | -168.6 | -0.6 | 109.9 | V25 V26 E28 V45 P50 R51 Q536 | V25-R43 CarbonylContact C-O 3.48Å; V25-R43 VanDerWaalsContact CA-O 3.27Å; V25-R43 WeakPolarHBondContact CA-O 3.17Å; V26-R43 HydrophobicContact CB-CB 4.36Å; V26-R43 PolarHBondContact N-O 2.61Å; V26-R43 PolarHBondContact O-N 2.71Å; E28-R43 HydrophobicContact CG-CB 4.15Å; E28-R43 IonicContact OE1-CZ 3.87Å; E28-R43 IonicContact OE1-NE 2.73Å; E28-R43 PolarHBondContact OE1-NE 3.21Å; E28-R43 IonicContact OE1-NH2 2.82Å; E28-R43 PolarHBondContact OE1-NH2 2.87Å; R43-V45 PolarHBondContact O-N 2.74Å; R43-P50 HydrophobicContact CG-CB 3.69Å; R43-R51 WeakPolarHBondContact CA-O 3.4Å; R43-Q536 VanDerWaalsContact NH2-OE1 3.12Å |
| 44 | S | 77.2 | Confident | 72.8 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 132 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | D46 R51 | S44-D46 PolarHBondContact OG-O 2.75Å; S44-R51 PolarHBondContact N-O 3.42Å |
| 45 | V | 70.4 | Confident | 73.6 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | trans | -79.6 | -36.6 | 170.3 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L24 V26 R43 | L24-V45 WeakPolarHBondContact O-CB 3.37Å; L24-V45 PolarHBondContact O-N 3.26Å; V26-V45 HydrophobicContact CG2-CG2 3.83Å; R43-V45 PolarHBondContact O-N 2.74Å | ||
| 46 | D | 58.3 | Low | 74.5 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 58% | 0.583 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.7 | 127.6 | -177.9 | -72.2 | -45.3 | 0 | 0 | 0 | 112.8 | S44 | S44-D46 PolarHBondContact OG-O 2.75Š|
| 47 | G | 53.9 | Low | 75 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 99.3 | 146.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N49 | G47-N49 PolarHBondContact O-N 2.85Š|
| 48 | D | 46.9 | Very low | 75.1 | Confident | 119 Ų | 119 | 42.6 Ų | 42.6 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -56.3 | -11.5 | -175.6 | -59.8 | -3.4 | 0 | 0 | 0 | 115.8 | S578 | D48-S578 VanDerWaalsContact CB-CB 3.49Å; D48-S578 WeakPolarHBondContact OD2-CB 3.4Å; D48-S578 PolarHBondContact OD2-OG 3.45Å |
| 49 | N | 51.5 | Low | 74.7 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -123.5 | 94.2 | 173.5 | -79.4 | -87.5 | 0 | 0 | 0 | 110.2 | G47 R51 S578 | G47-N49 PolarHBondContact O-N 2.85Å; N49-R51 PolarHBondContact O-N 2.85Å; N49-R51 VanDerWaalsContact O-N 3.15Å; N49-S578 PolarHBondContact ND2-O 3.13Å |
| 50 | P | 59.5 | Low | 74 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | trans | -65.9 | 114.5 | -179.7 | 25.2 | -33.7 | 0 | 0 | 0 | 111 | R43 | R43-P50 HydrophobicContact CG-CB 3.69Š| ||
| 51 | R | 67.5 | Low | 72.6 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | trans | -86.2 | 133.5 | 179.2 | -67.7 | 179.6 | -175.6 | 163.8 | 1.5 | 110.9 | R43 S44 N49 L53 | R43-R51 WeakPolarHBondContact CA-O 3.4Å; S44-R51 PolarHBondContact N-O 3.42Å; N49-R51 PolarHBondContact O-N 2.85Å; N49-R51 VanDerWaalsContact O-N 3.15Å; R51-L53 HydrophobicContact CB-CD2 4.13Å; R51-L53 HydrophobicContact CB-CG 4.49Å | ||
| 52 | S | 76.2 | Confident | 71.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.3 | 162.4 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | I42 F106 N537 | I42-S52 CarbonylContact O-C 3.55Å; I42-S52 VanDerWaalsContact O-CA 3.32Å; I42-S52 WeakPolarHBondContact O-CA 3.49Å; S52-F106 VanDerWaalsContact O-CB 3.29Å; S52-F106 WeakPolarHBondContact O-CB 3.37Å; S52-F106 PolarHBondContact O-N 3.08Å; S52-N537 PolarHBondContact N-ND2 2.97Å; S52-N537 PolarHBondContact O-ND2 3.16Å |
| 53 | L | 84 | Confident | 70.1 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 167.1 | 179 | -49.5 | 171.7 | 0 | 0 | 0 | 109.4 | I42 R51 I103 R104 D105 | I42-L53 HydrophobicContact CD1-CB 4.05Å; I42-L53 HydrophobicContact CG1-CB 3.9Å; I42-L53 WeakPolarHBondContact CG1-O 3.26Å; I42-L53 PolarHBondContact N-O 3.37Å; I42-L53 PolarHBondContact O-N 2.84Å; R51-L53 HydrophobicContact CB-CD2 4.13Å; R51-L53 HydrophobicContact CB-CG 4.49Å; L53-I103 HydrophobicContact CB-CG2 3.76Å; L53-I103 HydrophobicContact CD1-CG2 3.71Å; L53-I103 HydrophobicContact CG-CG2 4.28Å; L53-R104 CarbonylContact C-O 3.58Å; L53-R104 WeakPolarHBondContact CA-O 3.45Å; L53-R104 WeakPolarHBondContact CB-O 3.42Å; L53-D105 WeakPolarHBondContact CD2-OD1 3.43Å |
| 54 | V | 86.6 | Confident | 69 | Low | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.8 | 173 | 177.2 | 0 | 0 | 0 | 0 | 109 | L31 V39 A40 K56 I103 R104 F106 | L31-V54 HydrophobicContact CD1-CG1 4.44Å; L31-V54 HydrophobicContact CD1-CG2 4.2Å; V39-V54 HydrophobicContact CG1-CG1 3.48Å; V39-V54 VanDerWaalsContact CG1-CG1 3.48Å; A40-V54 CarbonylContact O-C 3.58Å; A40-V54 WeakPolarHBondContact O-CA 3.13Å; V54-K56 HydrophobicContact CG1-CG 4.33Å; V54-I103 WeakPolarHBondContact O-CA 3.44Å; V54-R104 HydrophobicContact CB-CG 4.14Å; V54-R104 PolarHBondContact N-O 2.92Å; V54-R104 PolarHBondContact O-N 3.16Å; V54-R104 VanDerWaalsContact O-N 3.09Å; V54-F106 HydrophobicContact CG2-CB 4.14Å; V54-F106 HydrophobicContact CG2-CD2 3.69Å; V54-F106 HydrophobicContact CG2-CG 4.41Å |
| 55 | A | 86.7 | Confident | 68.2 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L18 V39 A40 I42 V101 L102 | L18-A55 HydrophobicContact CD2-CB 4.28Å; V39-A55 CarbonylContact C-O 3.54Å; V39-A55 WeakPolarHBondContact CA-O 3.48Å; A40-A55 HydrophobicContact CB-CB 4.3Å; A40-A55 PolarHBondContact N-O 2.78Å; A40-A55 PolarHBondContact O-N 3.21Å; I42-A55 HydrophobicContact CD1-CB 3.89Å; I42-A55 HydrophobicContact CG1-CB 4.08Å; I42-A55 HydrophobicContact CG2-CB 4.04Å; A55-V101 HydrophobicContact CB-CG1 3.78Å; A55-L102 CarbonylContact C-O 3.5Å; A55-L102 WeakPolarHBondContact CA-O 3.33Å |
| 56 | K | 86.1 | Confident | 67.8 | Low | 35 Ų | 35 | 60 Ų | 60 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 114.6 | 167.9 | -58.7 | -155.6 | 174.4 | -167.4 | 0 | 109.2 | F37 V39 V54 V101 L102 D181 | F37-K56 HydrophobicContact CB-CB 4.42Å; F37-K56 HydrophobicContact CD1-CB 3.88Å; F37-K56 HydrophobicContact CE1-CB 4.5Å; F37-K56 HydrophobicContact CG-CB 4.35Å; V39-K56 HydrophobicContact CG1-CG 4.29Å; V39-K56 HydrophobicContact CG2-CD 4.31Å; V39-K56 HydrophobicContact CG2-CG 4.11Å; V54-K56 HydrophobicContact CG1-CG 4.33Å; K56-V101 WeakPolarHBondContact O-CA 3.47Å; K56-L102 HydrophobicContact CB-CB 4.36Å; K56-L102 PolarHBondContact N-O 3.07Å; K56-L102 PolarHBondContact O-N 3.02Å; K56-D181 VanDerWaalsContact CE-CG 3.41Å; K56-D181 WeakPolarHBondContact CE-OD1 3.39Å; K56-D181 VanDerWaalsContact CE-OD2 3.32Å; K56-D181 WeakPolarHBondContact CE-OD2 3.49Å; K56-D181 IonicContact NZ-OD1 2.74Å; K56-D181 PolarHBondContact NZ-OD1 3.17Å; K56-D181 VanDerWaalsContact NZ-OD1 3.11Å; K56-D181 IonicContact NZ-OD2 3.01Å; K56-D181 PolarHBondContact NZ-OD2 3.12Å |
| 57 | I | 83.4 | Confident | 68 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.6 | -171.9 | -53.4 | 174.4 | 0 | 0 | 0 | 108.7 | V14 Y17 L18 F37 K38 P59 G100 V101 | V14-I57 HydrophobicContact CG1-CD1 4Å; Y17-I57 HydrophobicContact CD1-CG2 4.4Å; Y17-I57 HydrophobicContact CD2-CG2 4.48Å; Y17-I57 HydrophobicContact CG-CG2 4.03Å; L18-I57 HydrophobicContact CD1-CD1 4.24Å; L18-I57 HydrophobicContact CD2-CD1 3.88Å; L18-I57 HydrophobicContact CG-CD1 3.8Å; F37-I57 CarbonylContact C-O 3.58Å; F37-I57 VanDerWaalsContact CA-O 3.28Å; F37-I57 WeakPolarHBondContact CA-O 3.4Å; K38-I57 HydrophobicContact CB-CB 4.43Å; K38-I57 PolarHBondContact N-O 3.22Å; K38-I57 PolarHBondContact O-N 2.87Å; I57-P59 WeakPolarHBondContact O-CD 3.35Å; I57-G100 CarbonylContact C-O 3.58Å; I57-G100 WeakPolarHBondContact CA-O 3.46Å; I57-V101 HydrophobicContact CG1-CG1 4.3Å; I57-V101 HydrophobicContact CG1-CG2 4.28Å; I57-V101 HydrophobicContact CG2-CG2 4.5Å |
| 58 | F | 79.2 | Confident | 68.6 | Low | 28 Ų | 28 | 61.2 Ų | 61.2 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 107.1 | 172.9 | 178.8 | -116.3 | 0 | 0 | 0 | 109.6 | L36 F37 N60 I63 L66 S99 G100 | L36-F58 HydrophobicContact CD1-CD2 4.34Å; L36-F58 HydrophobicContact CD1-CE2 3.8Å; L36-F58 HydrophobicContact CG-CD2 4.4Å; L36-F58 HydrophobicContact CG-CE2 4.34Å; L36-F58 WeakPolarHBondContact O-CD2 3.46Å; F37-F58 HydrophobicContact CD1-CB 3.94Å; F37-F58 HydrophobicContact CE1-CB 3.8Å; F58-N60 HydrophobicContact CD1-CB 4.32Å; F58-N60 HydrophobicContact CE1-CB 3.71Å; F58-N60 HydrophobicContact CZ-CB 4.01Å; F58-I63 HydrophobicContact CD1-CD1 3.81Å; F58-I63 HydrophobicContact CD1-CG1 3.97Å; F58-I63 HydrophobicContact CE1-CD1 4.35Å; F58-I63 HydrophobicContact CE1-CG1 4.11Å; F58-I63 WeakPolarHBondContact O-CD1 3.44Å; F58-L66 HydrophobicContact CE1-CD2 3.43Å; F58-L66 VanDerWaalsContact CE1-CD2 3.43Å; F58-L66 HydrophobicContact CZ-CD2 3.45Å; F58-L66 VanDerWaalsContact CZ-CD2 3.45Å; F58-S99 VanDerWaalsContact O-CA 3.28Å; F58-S99 WeakPolarHBondContact O-CA 3.31Å; F58-G100 PolarHBondContact N-O 3.36Å; F58-G100 PolarHBondContact O-N 3.01Å |
| 59 | P | 72.3 | Confident | 69.5 | Low | 45 Ų | 45 | 64.9 Ų | 64.9 | 29% | 0.292 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.3 | -179.8 | 33.4 | -32.9 | 0 | 0 | 0 | 111.8 | Y17 I57 | Y17-P59 HydrophobicContact CE1-CB 3.93Å; Y17-P59 HydrophobicContact CE2-CB 4.36Å; Y17-P59 WeakPolarHBondContact OH-CB 3.38Å; I57-P59 WeakPolarHBondContact O-CD 3.35Å |
| 60 | N | 69.6 | Low | 70.2 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -164.7 | 138.2 | 179.8 | 179.3 | -3 | 0 | 0 | 0 | 109 | F58 N62 I63 R98 | F58-N60 HydrophobicContact CD1-CB 4.32Å; F58-N60 HydrophobicContact CE1-CB 3.71Å; F58-N60 HydrophobicContact CZ-CB 4.01Å; N60-N62 PolarHBondContact OD1-N 3.23Å; N60-I63 HydrophobicContact CB-CB 4.36Å; N60-I63 HydrophobicContact CB-CD1 4.08Å; N60-I63 HydrophobicContact CB-CG1 3.98Å; N60-I63 WeakPolarHBondContact O-CB 3.44Å; N60-R98 PolarHBondContact N-O 3.04Å | ||
| 61 | P | 58.5 | Low | 70.6 | Confident | 114 Ų | 114 | 62 Ų | 62 | 74% | 0.74 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -76.2 | -30.5 | 173.8 | 28.8 | -35.4 | 0 | 0 | 0 | 114 | I63 | P61-I63 PolarHBondContact O-N 3.3Å; P61-I63 VanDerWaalsContact O-N 3.07Å |
| 62 | N | 62.4 | Low | 70.6 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -87.6 | 36.5 | -177.6 | -72.7 | -23.8 | 0 | 0 | 0 | 112.1 | N60 S64 | N60-N62 PolarHBondContact OD1-N 3.23Å; N62-S64 PolarHBondContact O-N 3.15Å |
| 63 | I | 58.7 | Low | 70.4 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.7 | -34.3 | -151.7 | -146.9 | 166.8 | 0 | 0 | 0 | 114.3 | F58 N60 P61 Q65 L66 L67 S99 | F58-I63 HydrophobicContact CD1-CD1 3.81Å; F58-I63 HydrophobicContact CD1-CG1 3.97Å; F58-I63 HydrophobicContact CE1-CD1 4.35Å; F58-I63 HydrophobicContact CE1-CG1 4.11Å; F58-I63 WeakPolarHBondContact O-CD1 3.44Å; N60-I63 HydrophobicContact CB-CB 4.36Å; N60-I63 HydrophobicContact CB-CD1 4.08Å; N60-I63 HydrophobicContact CB-CG1 3.98Å; N60-I63 WeakPolarHBondContact O-CB 3.44Å; P61-I63 PolarHBondContact O-N 3.3Å; P61-I63 VanDerWaalsContact O-N 3.07Å; I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 3.42Å; I63-L66 PolarHBondContact O-N 2.89Å; I63-L67 HydrophobicContact CB-CD1 4.36Å; I63-L67 HydrophobicContact CD1-CD1 3.73Å; I63-L67 HydrophobicContact CD1-CG 4.42Å; I63-L67 HydrophobicContact CG1-CD1 3.53Å; I63-L67 HydrophobicContact CG1-CG 3.88Å; I63-L67 HydrophobicContact CG2-CD1 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.5Å; I63-L67 PolarHBondContact O-N 3.25Å; I63-S99 VanDerWaalsContact CD1-CA 3.41Å |
| 64 | S | 59.3 | Low | 69.8 | Low | 65 Ų | 65 | 63 Ų | 63 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.7 | -47.3 | -175.8 | -43.8 | 0 | 0 | 0 | 0 | 111.2 | N62 L66 L67 W68 | N62-S64 PolarHBondContact O-N 3.15Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.86Å; S64-L67 PolarHBondContact O-N 2.98Å; S64-W68 WeakPolarHBondContact O-CB 3.45Å; S64-W68 PolarHBondContact O-N 3.31Å |
| 65 | Q | 61.4 | Low | 69 | Low | 156 Ų | 156 | 66.3 Ų | 66.3 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.1 | -32 | -179.2 | -62.4 | -175.5 | 9 | 0 | 0 | 113.2 | I63 | I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 3.42Å |
| 66 | L | 62.7 | Low | 68.3 | Low | 89 Ų | 89 | 69.3 Ų | 69.3 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.3 | -40.5 | 178.5 | -149.5 | 87.5 | 0 | 0 | 0 | 111.7 | F58 I63 S64 R69 Y70 | F58-L66 HydrophobicContact CE1-CD2 3.43Å; F58-L66 VanDerWaalsContact CE1-CD2 3.43Å; F58-L66 HydrophobicContact CZ-CD2 3.45Å; F58-L66 VanDerWaalsContact CZ-CD2 3.45Å; I63-L66 PolarHBondContact O-N 2.89Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.86Å; L66-R69 PolarHBondContact O-N 2.98Å; L66-Y70 WeakPolarHBondContact O-CB 3.43Å; L66-Y70 PolarHBondContact O-N 3.25Å |
| 67 | L | 62.5 | Low | 67.8 | Low | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72 | -37.3 | 178.4 | -78.4 | 172.3 | 0 | 0 | 0 | 112.6 | I63 S64 R69 Y70 Q71 I95 G100 | I63-L67 HydrophobicContact CB-CD1 4.36Å; I63-L67 HydrophobicContact CD1-CD1 3.73Å; I63-L67 HydrophobicContact CD1-CG 4.42Å; I63-L67 HydrophobicContact CG1-CD1 3.53Å; I63-L67 HydrophobicContact CG1-CG 3.88Å; I63-L67 HydrophobicContact CG2-CD1 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.5Å; I63-L67 PolarHBondContact O-N 3.25Å; S64-L67 PolarHBondContact O-N 2.98Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 2.93Å; L67-Y70 HydrophobicContact CD2-CD1 3.96Å; L67-Y70 CarbonylContact O-C 3.56Å; L67-Y70 PolarHBondContact O-N 3.24Å; L67-Y70 VanDerWaalsContact O-N 3.11Å; L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 PolarHBondContact O-N 3.49Å; L67-I95 HydrophobicContact CB-CD1 3.9Å; L67-I95 HydrophobicContact CB-CG1 4.37Å; L67-I95 HydrophobicContact CD1-CB 4.34Å; L67-I95 HydrophobicContact CD1-CD1 4.38Å; L67-I95 HydrophobicContact CD1-CG1 3.98Å; L67-I95 HydrophobicContact CD1-CG2 3.92Å; L67-G100 VanDerWaalsContact CD1-CA 3.41Å |
| 68 | W | 65.5 | Low | 67.3 | Low | 178 Ų | 178 | 69 Ų | 69 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 172.6 | -88.7 | 91.2 | 0 | 0 | 0 | 111.6 | S64 A72 | S64-W68 WeakPolarHBondContact O-CB 3.45Å; S64-W68 PolarHBondContact O-N 3.31Å; W68-A72 VanDerWaalsContact O-CB 3.32Å; W68-A72 WeakPolarHBondContact O-CB 3.48Å; W68-A72 PolarHBondContact O-N 3.26Å; W68-A72 VanDerWaalsContact O-N 3.12Å |
| 69 | R | 65.3 | Low | 67 | Low | 195 Ų | 195 | 74.1 Ų | 74.1 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 170.8 | -83.1 | -179.8 | 159.1 | -169.4 | -6.6 | 112.5 | L66 L67 I73 | L66-R69 PolarHBondContact O-N 2.98Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 2.93Å; R69-I73 WeakPolarHBondContact O-CG1 3.34Å; R69-I73 PolarHBondContact O-N 3.21Å |
| 70 | Y | 67.5 | Low | 66.9 | Low | 22 Ų | 22 | 76.4 Ų | 76.4 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.8 | -43 | -178.9 | 178.9 | -122.7 | 0 | 0 | 0 | 112.9 | L66 L67 A72 I73 M74 L102 F185 | L66-Y70 WeakPolarHBondContact O-CB 3.43Å; L66-Y70 PolarHBondContact O-N 3.25Å; L67-Y70 HydrophobicContact CD2-CD1 3.96Å; L67-Y70 CarbonylContact O-C 3.56Å; L67-Y70 PolarHBondContact O-N 3.24Å; L67-Y70 VanDerWaalsContact O-N 3.11Å; Y70-A72 VanDerWaalsContact C-N 3.33Å; Y70-A72 PolarHBondContact O-N 2.97Å; Y70-I73 CarbonylContact O-C 3.6Å; Y70-I73 WeakPolarHBondContact O-CA 3.24Å; Y70-I73 WeakPolarHBondContact O-CB 3.43Å; Y70-I73 PolarHBondContact O-N 2.86Å; Y70-M74 HydrophobicContact CD1-CG 4.24Å; Y70-M74 HydrophobicContact CD2-CG 3.83Å; Y70-M74 HydrophobicContact CE1-CG 3.75Å; Y70-M74 HydrophobicContact CE2-CE 4.12Å; Y70-M74 HydrophobicContact CE2-CG 3.24Å; Y70-M74 HydrophobicContact CE2-SD 3.91Å; Y70-M74 HydrophobicContact CG-CG 4.3Å; Y70-M74 WeakPolarHBondContact O-CB 3.37Å; Y70-M74 PolarHBondContact O-N 3.02Å; Y70-M74 WeakPolarHBondContact OH-CG 3.43Å; Y70-M74 PolarHBondContact OH-SD 3.38Å; Y70-L102 HydrophobicContact CE1-CD1 3.59Å; Y70-L102 HydrophobicContact CE1-CD2 3.71Å; Y70-L102 HydrophobicContact CE1-CG 4.19Å; Y70-L102 VanDerWaalsContact OH-CD1 3.25Å; Y70-L102 WeakPolarHBondContact OH-CD1 3.37Å; Y70-F185 HydrophobicContact CD2-CB 3.68Å; Y70-F185 HydrophobicContact CD2-CD1 4.02Å; Y70-F185 HydrophobicContact CD2-CD2 4.47Å; Y70-F185 AromaticContact CD2-CG 3.81Å; Y70-F185 HydrophobicContact CD2-CG 3.81Å; Y70-F185 HydrophobicContact CE2-CB 3.79Å; Y70-F185 AromaticContact CE2-CD1 3.21Å; Y70-F185 HydrophobicContact CE2-CD1 3.21Å; Y70-F185 HydrophobicContact CE2-CD2 4.24Å; Y70-F185 AromaticContact CE2-CE1 3.71Å; Y70-F185 HydrophobicContact CE2-CE1 3.71Å; Y70-F185 AromaticContact CE2-CG 3.48Å; Y70-F185 HydrophobicContact CE2-CG 3.48Å; Y70-F185 VanDerWaalsContact CE2-CG 3.48Å; Y70-F185 HydrophobicContact CE2-CZ 4.43Å; Y70-F185 AromaticContact CZ-CD1 3.96Å; Y70-F185 AromaticContact CZ-CE1 3.97Å |
| 71 | Q | 67.8 | Low | 67.2 | Low | 60 Ų | 60 | 75 Ų | 75 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 177.4 | -171.4 | 174.7 | 16.9 | 0 | 0 | 111.3 | L67 I73 M74 L75 | L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 PolarHBondContact O-N 3.49Å; Q71-I73 PolarHBondContact O-N 3.1Å; Q71-M74 PolarHBondContact O-N 3.5Å; Q71-L75 HydrophobicContact CG-CD1 3.45Å; Q71-L75 VanDerWaalsContact CG-CD1 3.45Å; Q71-L75 PolarHBondContact O-N 2.98Å |
| 72 | A | 67.4 | Low | 67.7 | Low | 71 Ų | 71 | 73.4 Ų | 73.4 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -24.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W68 Y70 P76 | W68-A72 VanDerWaalsContact O-CB 3.32Å; W68-A72 WeakPolarHBondContact O-CB 3.48Å; W68-A72 PolarHBondContact O-N 3.26Å; W68-A72 VanDerWaalsContact O-N 3.12Å; Y70-A72 VanDerWaalsContact C-N 3.33Å; Y70-A72 PolarHBondContact O-N 2.97Å; A72-P76 WeakPolarHBondContact O-CD 3.49Å; A72-P76 WeakPolarHBondContact O-CG 3.15Å |
| 73 | I | 71.6 | Confident | 68.1 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 41% | 0.41 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -87.4 | -40.9 | 171.6 | -63.7 | 166.8 | 0 | 0 | 0 | 110.5 | R69 Y70 Q71 Y77 P184 | R69-I73 WeakPolarHBondContact O-CG1 3.34Å; R69-I73 PolarHBondContact O-N 3.21Å; Y70-I73 CarbonylContact O-C 3.6Å; Y70-I73 WeakPolarHBondContact O-CA 3.24Å; Y70-I73 WeakPolarHBondContact O-CB 3.43Å; Y70-I73 PolarHBondContact O-N 2.86Å; Q71-I73 PolarHBondContact O-N 3.1Å; I73-Y77 WeakPolarHBondContact O-CB 3.46Å; I73-Y77 PolarHBondContact O-N 3.43Å; I73-P184 HydrophobicContact CG2-CG 4.12Å |
| 74 | M | 71.2 | Confident | 68.9 | Low | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.1 | -42.1 | -170.6 | -83.1 | -67.5 | 103.4 | 0 | 0 | 115.8 | Y70 Q71 Y77 C78 P184 | Y70-M74 HydrophobicContact CD1-CG 4.24Å; Y70-M74 HydrophobicContact CD2-CG 3.83Å; Y70-M74 HydrophobicContact CE1-CG 3.75Å; Y70-M74 HydrophobicContact CE2-CE 4.12Å; Y70-M74 HydrophobicContact CE2-CG 3.24Å; Y70-M74 HydrophobicContact CE2-SD 3.91Å; Y70-M74 HydrophobicContact CG-CG 4.3Å; Y70-M74 WeakPolarHBondContact O-CB 3.37Å; Y70-M74 PolarHBondContact O-N 3.02Å; Y70-M74 WeakPolarHBondContact OH-CG 3.43Å; Y70-M74 PolarHBondContact OH-SD 3.38Å; Q71-M74 PolarHBondContact O-N 3.5Å; M74-Y77 HydrophobicContact CE-CD1 4.08Å; M74-Y77 HydrophobicContact CE-CD2 4.31Å; M74-Y77 HydrophobicContact CE-CG 3.87Å; M74-Y77 WeakPolarHBondContact O-CB 3.43Å; M74-Y77 PolarHBondContact O-N 2.89Å; M74-Y77 VanDerWaalsContact O-N 3.12Å; M74-C78 WeakPolarHBondContact O-CB 3.41Å; M74-C78 PolarHBondContact O-N 3.25Å; M74-C78 PolarHBondContact O-SG 2.91Å; M74-C78 VanDerWaalsContact O-SG 3.33Å; M74-P184 HydrophobicContact CE-CG 3.36Å |
| 75 | L | 70.2 | Confident | 70.1 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.8 | -86.2 | 83.7 | 0 | 0 | 0 | 111.3 | Q71 Y77 C78 H79 | Q71-L75 HydrophobicContact CG-CD1 3.45Å; Q71-L75 VanDerWaalsContact CG-CD1 3.45Å; Q71-L75 PolarHBondContact O-N 2.98Å; L75-Y77 PolarHBondContact O-N 3.34Å; L75-C78 PolarHBondContact O-N 3.21Å; L75-H79 WeakPolarHBondContact O-CB 3.47Å; L75-H79 PolarHBondContact O-CD2 2.9Å; L75-H79 PolarHBondContact O-N 3.13Å |
| 76 | P | 71.6 | Confident | 71.3 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 41% | 0.409 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.8 | -15.4 | 173.4 | -24.1 | 36.5 | 0 | 0 | 0 | 115.3 | A72 R80 | A72-P76 WeakPolarHBondContact O-CD 3.49Å; A72-P76 WeakPolarHBondContact O-CG 3.15Å; P76-R80 WeakPolarHBondContact O-CG 3.33Å; P76-R80 PolarHBondContact O-NE 3.39Å |
| 77 | Y | 74.6 | Confident | 72.5 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -82.7 | -53.9 | 173 | -166.9 | -84.3 | 0 | 0 | 0 | 110.3 | I73 M74 L75 R80 I81 L159 C160 H161 P182 P184 | I73-Y77 WeakPolarHBondContact O-CB 3.46Å; I73-Y77 PolarHBondContact O-N 3.43Å; M74-Y77 HydrophobicContact CE-CD1 4.08Å; M74-Y77 HydrophobicContact CE-CD2 4.31Å; M74-Y77 HydrophobicContact CE-CG 3.87Å; M74-Y77 WeakPolarHBondContact O-CB 3.43Å; M74-Y77 PolarHBondContact O-N 2.89Å; M74-Y77 VanDerWaalsContact O-N 3.12Å; L75-Y77 PolarHBondContact O-N 3.34Å; Y77-R80 PolarHBondContact O-N 3.12Å; Y77-I81 HydrophobicContact CD1-CD1 3.47Å; Y77-I81 VanDerWaalsContact CD1-CD1 3.47Å; Y77-I81 HydrophobicContact CE1-CD1 3.09Å; Y77-I81 HydrophobicContact CE1-CG1 4.44Å; Y77-I81 HydrophobicContact CG-CD1 4.42Å; Y77-I81 WeakPolarHBondContact O-CG1 3.33Å; Y77-I81 PolarHBondContact O-N 3.02Å; Y77-I81 VanDerWaalsContact O-N 3.15Å; Y77-L159 HydrophobicContact CD2-CD1 4.17Å; Y77-L159 HydrophobicContact CD2-CD2 3.49Å; Y77-L159 VanDerWaalsContact CD2-CD2 3.49Å; Y77-L159 HydrophobicContact CD2-CG 4.33Å; Y77-L159 HydrophobicContact CE2-CB 4.19Å; Y77-L159 HydrophobicContact CE2-CD1 4.31Å; Y77-L159 HydrophobicContact CE2-CD2 3.77Å; Y77-L159 HydrophobicContact CE2-CG 4.33Å; Y77-L159 HydrophobicContact CG-CD1 4.41Å; Y77-L159 HydrophobicContact CG-CD2 4.35Å; Y77-C160 WeakPolarHBondContact CE2-O 3.3Å; Y77-C160 PolarHBondContact OH-O 3.46Å; Y77-H161 WeakPolarHBondContact OH-CA 3.34Å; Y77-P182 HydrophobicContact CD1-CB 4.18Å; Y77-P182 HydrophobicContact CD1-CG 4.1Å; Y77-P182 HydrophobicContact CE1-CB 3.2Å; Y77-P182 HydrophobicContact CE1-CG 3.5Å; Y77-P182 VanDerWaalsContact CE1-CG 3.5Å; Y77-P182 WeakPolarHBondContact OH-CB 3.42Å; Y77-P184 HydrophobicContact CD2-CB 4.49Å; Y77-P184 HydrophobicContact CD2-CG 3.79Å; Y77-P184 HydrophobicContact CE2-CB 4.2Å; Y77-P184 HydrophobicContact CE2-CG 3.73Å; Y77-P184 HydrophobicContact CG-CG 4.48Å |
| 78 | C | 74.6 | Confident | 73.5 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 178.7 | -65.1 | 0 | 0 | 0 | 0 | 112 | M74 L75 R80 I81 N82 L89 | M74-C78 WeakPolarHBondContact O-CB 3.41Å; M74-C78 PolarHBondContact O-N 3.25Å; M74-C78 PolarHBondContact O-SG 2.91Å; M74-C78 VanDerWaalsContact O-SG 3.33Å; L75-C78 PolarHBondContact O-N 3.21Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 2.94Å; C78-I81 PolarHBondContact O-N 3.38Å; C78-N82 PolarHBondContact O-N 3.39Å; C78-L89 HydrophobicContact CB-CD2 4.15Å; C78-L89 VanDerWaalsContact O-CD2 3.32Å; C78-L89 WeakPolarHBondContact O-CD2 3.24Å |
| 79 | H | 71.5 | Confident | 74.1 | Confident | 137 Ų | 137 | 52.8 Ų | 52.8 | 63% | 0.634 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.4 | -33.6 | 178.4 | -73 | -50.8 | 0 | 0 | 0 | 113.3 | L75 | L75-H79 WeakPolarHBondContact O-CB 3.47Å; L75-H79 PolarHBondContact O-CD2 2.9Å; L75-H79 PolarHBondContact O-N 3.13Å |
| 80 | R | 71.9 | Confident | 74.7 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.9 | -28.5 | 175.2 | -82.6 | -166.5 | -77.2 | 173.5 | -10 | 113 | P76 Y77 C78 N82 S157 L159 | P76-R80 WeakPolarHBondContact O-CG 3.33Å; P76-R80 PolarHBondContact O-NE 3.39Å; Y77-R80 PolarHBondContact O-N 3.12Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 2.94Å; R80-N82 VanDerWaalsContact C-N 3.34Å; R80-S157 PolarHBondContact NH1-O 3.22Å; R80-L159 HydrophobicContact CB-CD1 3.77Å |
| 81 | I | 75.6 | Confident | 74.8 | Confident | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -81.9 | -10.8 | 179.3 | -75.7 | 176.6 | 0 | 0 | 0 | 112.9 | Y77 C78 S83 G84 L87 L89 L140 L159 A544 | Y77-I81 HydrophobicContact CD1-CD1 3.47Å; Y77-I81 VanDerWaalsContact CD1-CD1 3.47Å; Y77-I81 HydrophobicContact CE1-CD1 3.09Å; Y77-I81 HydrophobicContact CE1-CG1 4.44Å; Y77-I81 HydrophobicContact CG-CD1 4.42Å; Y77-I81 WeakPolarHBondContact O-CG1 3.33Å; Y77-I81 PolarHBondContact O-N 3.02Å; Y77-I81 VanDerWaalsContact O-N 3.15Å; C78-I81 PolarHBondContact O-N 3.38Å; I81-S83 PolarHBondContact O-N 2.78Å; I81-G84 PolarHBondContact O-N 2.86Å; I81-L87 HydrophobicContact CB-CD1 4.38Å; I81-L87 HydrophobicContact CD1-CD1 4.49Å; I81-L87 HydrophobicContact CG1-CD1 4.09Å; I81-L87 HydrophobicContact CG2-CB 3.59Å; I81-L87 HydrophobicContact CG2-CD1 3.74Å; I81-L87 HydrophobicContact CG2-CG 4.29Å; I81-L89 HydrophobicContact CG2-CD1 3.82Å; I81-L89 HydrophobicContact CG2-CG 3.9Å; I81-L140 HydrophobicContact CD1-CD1 3.43Å; I81-L140 VanDerWaalsContact CD1-CD1 3.43Å; I81-L140 HydrophobicContact CG1-CD1 3.85Å; I81-L159 HydrophobicContact CD1-CD1 4.23Å; I81-L159 HydrophobicContact CG1-CD1 3.93Å; I81-A544 WeakPolarHBondContact O-CB 3.11Å |
| 82 | N | 69.2 | Low | 74.9 | Confident | 81 Ų | 81 | 47 Ų | 47 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 5.5 | -174.9 | -147.4 | 88.7 | 0 | 0 | 0 | 115.7 | C78 R80 L89 A544 | C78-N82 PolarHBondContact O-N 3.39Å; R80-N82 VanDerWaalsContact C-N 3.34Å; N82-L89 HydrophobicContact CB-CD2 4.33Å; N82-L89 WeakPolarHBondContact OD1-CD2 3.26Å; N82-A544 PolarHBondContact ND2-O 3.23Å; N82-A544 CarbonylContact O-C 3.41Å |
| 83 | S | 69.4 | Low | 75.1 | Confident | 74 Ų | 74 | 46 Ų | 46 | 52% | 0.517 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -3.6 | 169.4 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | I81 Y85 | I81-S83 PolarHBondContact O-N 2.78Å; S83-Y85 PolarHBondContact O-N 3.23Å |
| 84 | G | 75.7 | Confident | 75.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -85.5 | 103.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I81 N86 L87 A544 | I81-G84 PolarHBondContact O-N 2.86Å; G84-N86 PolarHBondContact O-N 2.79Å; G84-L87 PolarHBondContact O-N 3.25Å; G84-A544 WeakPolarHBondContact O-CB 3.38Å | ||
| 85 | Y | 83.9 | Confident | 75.2 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12 | 177.7 | 54.1 | -97.6 | 0 | 0 | 0 | 115 | S83 Q139 W176 T474 Q478 T543 | S83-Y85 PolarHBondContact O-N 3.23Å; Y85-Q139 HydrophobicContact CE1-CG 4.4Å; Y85-Q139 VanDerWaalsContact CZ-NE2 3.26Å; Y85-W176 HydrophobicContact CD2-CH2 4.25Å; Y85-W176 AromaticContact CD2-CZ2 3.71Å; Y85-W176 HydrophobicContact CD2-CZ2 3.71Å; Y85-W176 HydrophobicContact CG-CZ2 4.49Å; Y85-W176 PolarHBondContact O-NE1 3.44Å; Y85-T474 HydrophobicContact CE2-CG2 4.45Å; Y85-Q478 VanDerWaalsContact CZ-NE2 3.28Å; Y85-T543 WeakPolarHBondContact O-CG2 3.33Å |
| 86 | N | 87.7 | Confident | 75.3 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 16.7 | 168.8 | -62.4 | 111.9 | 0 | 0 | 0 | 113.3 | G84 A136 Q139 W176 V177 L178 L179 | G84-N86 PolarHBondContact O-N 2.79Å; N86-A136 HydrophobicContact CB-CB 3.55Å; N86-Q139 PolarHBondContact OD1-NE2 3.35Å; N86-W176 PolarHBondContact ND2-NE1 3.11Å; N86-V177 WeakPolarHBondContact CA-O 3.16Å; N86-V177 WeakPolarHBondContact CB-O 3.41Å; N86-V177 PolarHBondContact ND2-O 3.19Å; N86-L178 CarbonylContact O-C 3.56Å; N86-L178 WeakPolarHBondContact O-CA 3.23Å; N86-L179 PolarHBondContact O-N 2.96Å |
| 87 | L | 87.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 134.3 | -178.7 | -61.1 | 179.6 | 0 | 0 | 0 | 111.2 | I81 G84 A136 Q139 L140 L179 | I81-L87 HydrophobicContact CB-CD1 4.38Å; I81-L87 HydrophobicContact CD1-CD1 4.49Å; I81-L87 HydrophobicContact CG1-CD1 4.09Å; I81-L87 HydrophobicContact CG2-CB 3.59Å; I81-L87 HydrophobicContact CG2-CD1 3.74Å; I81-L87 HydrophobicContact CG2-CG 4.29Å; G84-L87 PolarHBondContact O-N 3.25Å; L87-A136 HydrophobicContact CD2-CB 4.16Å; L87-A136 WeakPolarHBondContact CD2-O 3.44Å; L87-Q139 HydrophobicContact CD1-CB 4.08Å; L87-L140 HydrophobicContact CD1-CB 4.14Å; L87-L140 HydrophobicContact CD1-CD1 4.46Å; L87-L179 HydrophobicContact CD2-CB 3.99Å; L87-L179 HydrophobicContact CD2-CD2 4.32Å |
| 88 | L | 84 | Confident | 75 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | trans | -107.5 | 121.8 | 178 | -174.6 | 62.9 | 0 | 0 | 0 | 110.7 | D105 I107 L170 L178 L179 A180 | L88-D105 HydrophobicContact CD1-CB 4.44Å; L88-I107 HydrophobicContact CD2-CG1 4.16Å; L88-L170 HydrophobicContact CD2-CD1 3.91Å; L88-L178 HydrophobicContact CB-CB 4.37Å; L88-L179 PolarHBondContact N-O 3.25Å; L88-A180 HydrophobicContact CB-CB 4.01Å; L88-A180 HydrophobicContact CD2-CB 3.99Å; L88-A180 HydrophobicContact CG-CB 4.47Å | ||
| 89 | L | 77.8 | Confident | 75.1 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | trans | -87.7 | 163 | -177.1 | -68.6 | 81 | 0 | 0 | 0 | 112.1 | C78 I81 N82 R104 A544 | C78-L89 HydrophobicContact CB-CD2 4.15Å; C78-L89 VanDerWaalsContact O-CD2 3.32Å; C78-L89 WeakPolarHBondContact O-CD2 3.24Å; I81-L89 HydrophobicContact CG2-CD1 3.82Å; I81-L89 HydrophobicContact CG2-CG 3.9Å; N82-L89 HydrophobicContact CB-CD2 4.33Å; N82-L89 WeakPolarHBondContact OD1-CD2 3.26Å; L89-R104 VanDerWaalsContact O-CB 3.22Å; L89-R104 WeakPolarHBondContact O-CB 3.39Å; L89-A544 HydrophobicContact CD1-CB 3.41Å; L89-A544 VanDerWaalsContact CD1-CB 3.41Å | ||
| 90 | F | 77.5 | Confident | 75.3 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | trans | -80.9 | 113.4 | 156.5 | -66.3 | -68.5 | 0 | 0 | 0 | 108.9 | T92 L102 I103 R104 D181 P182 | F90-T92 VanDerWaalsContact C-N 3.31Å; F90-T92 PolarHBondContact O-N 2.98Å; F90-L102 HydrophobicContact CD1-CB 3.85Å; F90-L102 HydrophobicContact CE1-CB 4.06Å; F90-L102 HydrophobicContact CG-CB 4.34Å; F90-L102 HydrophobicContact CZ-CD1 4.48Å; F90-I103 CarbonylContact C-O 3.58Å; F90-I103 VanDerWaalsContact CA-O 3.29Å; F90-I103 WeakPolarHBondContact CA-O 3.49Å; F90-R104 HydrophobicContact CD1-CB 3.96Å; F90-R104 HydrophobicContact CD1-CG 4.24Å; F90-R104 HydrophobicContact CE1-CB 4.43Å; F90-R104 HydrophobicContact CE1-CG 4.23Å; F90-D181 WeakPolarHBondContact CZ-OD1 3.32Å; F90-P182 HydrophobicContact CE2-CG 4.09Å | ||
| 91 | S | 69.7 | Low | 75.7 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 49% | 0.49 | 23% | 0.234 | S | C | . | . | trans | -66.2 | -31.1 | -178.7 | -36.7 | 0 | 0 | 0 | 0 | 112.7 | I103 | S91-I103 PolarHBondContact N-O 2.95Š| ||
| 92 | T | 69.6 | Low | 76 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 152 | -176.5 | -36.9 | 0 | 0 | 0 | 0 | 111.4 | F90 Y94 I103 | F90-T92 VanDerWaalsContact C-N 3.31Å; F90-T92 PolarHBondContact O-N 2.98Å; T92-Y94 HydrophobicContact CG2-CD2 4.11Å; T92-Y94 HydrophobicContact CG2-CE2 3.41Å; T92-Y94 VanDerWaalsContact CG2-CE2 3.41Å; T92-I103 PolarHBondContact N-O 2.92Å; T92-I103 PolarHBondContact O-N 3.42Å |
| 93 | S | 72.4 | Confident | 76.6 | Confident | 49 Ų | 49 | 41.7 Ų | 41.7 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.6 | 171.7 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | V101 | S93-V101 CarbonylContact C-O 3.48Å; S93-V101 WeakPolarHBondContact CA-O 3.33Å |
| 94 | Y | 74.5 | Confident | 77.3 | Confident | 75 Ų | 75 | 39 Ų | 39 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.9 | 174.6 | -63.2 | -95.3 | 0 | 0 | 0 | 110.4 | L21 L24 T92 V101 I103 | L21-Y94 HydrophobicContact CD1-CD2 4.44Å; L21-Y94 HydrophobicContact CD1-CG 4.32Å; L21-Y94 HydrophobicContact CD2-CD1 3.75Å; L21-Y94 HydrophobicContact CD2-CE1 4.31Å; L21-Y94 HydrophobicContact CD2-CG 3.92Å; L24-Y94 HydrophobicContact CD1-CE1 3.65Å; T92-Y94 HydrophobicContact CG2-CD2 4.11Å; T92-Y94 HydrophobicContact CG2-CE2 3.41Å; T92-Y94 VanDerWaalsContact CG2-CE2 3.41Å; Y94-V101 PolarHBondContact N-O 3.09Å; Y94-V101 PolarHBondContact O-N 2.91Å; Y94-I103 HydrophobicContact CD2-CD1 3.89Å; Y94-I103 HydrophobicContact CD2-CG1 4.43Å; Y94-I103 HydrophobicContact CE2-CD1 3.65Å; Y94-I103 HydrophobicContact CE2-CG1 4.48Å |
| 95 | I | 70.7 | Confident | 77.5 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.6 | 171.9 | -54.8 | -173.4 | 0 | 0 | 0 | 106.5 | L67 | L67-I95 HydrophobicContact CB-CD1 3.9Å; L67-I95 HydrophobicContact CB-CG1 4.37Å; L67-I95 HydrophobicContact CD1-CB 4.34Å; L67-I95 HydrophobicContact CD1-CD1 4.38Å; L67-I95 HydrophobicContact CD1-CG1 3.98Å; L67-I95 HydrophobicContact CD1-CG2 3.92Å |
| 96 | T | 71.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | trans | -105.1 | 169.7 | 170.8 | 62.2 | 0 | 0 | 0 | 0 | 109.2 | E20 R98 S99 | E20-T96 HydrophobicContact CB-CG2 4.05Å; E20-T96 VanDerWaalsContact OE2-CB 3.31Å; E20-T96 WeakPolarHBondContact OE2-CB 3.48Å; T96-R98 PolarHBondContact O-N 3.39Å; T96-S99 PolarHBondContact N-O 2.98Å; T96-S99 WeakPolarHBondContact OG1-CA 3.22Å; T96-S99 PolarHBondContact OG1-N 3.06Å; T96-S99 PolarHBondContact OG1-O 3.49Å; T96-S99 PolarHBondContact OG1-OG 3.27Å | ||
| 97 | E | 69.3 | Low | 77.1 | Confident | 158 Ų | 158 | 39 Ų | 39 | 74% | 0.738 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -60.9 | -26.2 | 176.1 | -62.6 | -171.4 | 157.9 | 0 | 0 | 112.4 | ||
| 98 | R | 71.4 | Confident | 76.4 | Confident | 157 Ų | 157 | 41.6 Ų | 41.6 | 59% | 0.592 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -113.3 | -18.5 | -168.9 | -56 | 178.2 | -176 | 179.6 | 0.4 | 114 | E20 N60 T96 | E20-R98 WeakPolarHBondContact OE1-CD 3.38Å; N60-R98 PolarHBondContact N-O 3.04Å; T96-R98 PolarHBondContact O-N 3.39Å |
| 99 | S | 75.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 155.8 | -172.2 | 77.4 | 0 | 0 | 0 | 0 | 115.3 | F58 I63 T96 | F58-S99 VanDerWaalsContact O-CA 3.28Å; F58-S99 WeakPolarHBondContact O-CA 3.31Å; I63-S99 VanDerWaalsContact CD1-CA 3.41Å; T96-S99 PolarHBondContact N-O 2.98Å; T96-S99 WeakPolarHBondContact OG1-CA 3.22Å; T96-S99 PolarHBondContact OG1-N 3.06Å; T96-S99 PolarHBondContact OG1-O 3.49Å; T96-S99 PolarHBondContact OG1-OG 3.27Å |
| 100 | G | 76.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | I57 F58 L67 | I57-G100 CarbonylContact C-O 3.58Å; I57-G100 WeakPolarHBondContact CA-O 3.46Å; F58-G100 PolarHBondContact N-O 3.36Å; F58-G100 PolarHBondContact O-N 3.01Å; L67-G100 VanDerWaalsContact CD1-CA 3.41Å |
| 101 | V | 80.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.6 | -174.8 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | L21 A55 K56 I57 S93 Y94 I103 | L21-V101 HydrophobicContact CD1-CB 4.11Å; L21-V101 HydrophobicContact CD1-CG1 4.12Å; L21-V101 HydrophobicContact CD1-CG2 3.94Å; A55-V101 HydrophobicContact CB-CG1 3.78Å; K56-V101 WeakPolarHBondContact O-CA 3.47Å; I57-V101 HydrophobicContact CG1-CG1 4.3Å; I57-V101 HydrophobicContact CG1-CG2 4.28Å; I57-V101 HydrophobicContact CG2-CG2 4.5Å; S93-V101 CarbonylContact C-O 3.48Å; S93-V101 WeakPolarHBondContact CA-O 3.33Å; Y94-V101 PolarHBondContact N-O 3.09Å; Y94-V101 PolarHBondContact O-N 2.91Å; V101-I103 HydrophobicContact CG1-CG1 4.11Å |
| 102 | L | 81 | Confident | 78.3 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.3 | 175.2 | -52.3 | 169.2 | 0 | 0 | 0 | 109.3 | F37 A55 K56 Y70 F90 | F37-L102 HydrophobicContact CE1-CD1 3.92Å; F37-L102 HydrophobicContact CZ-CD1 4.33Å; A55-L102 CarbonylContact C-O 3.5Å; A55-L102 WeakPolarHBondContact CA-O 3.33Å; K56-L102 HydrophobicContact CB-CB 4.36Å; K56-L102 PolarHBondContact N-O 3.07Å; K56-L102 PolarHBondContact O-N 3.02Å; Y70-L102 HydrophobicContact CE1-CD1 3.59Å; Y70-L102 HydrophobicContact CE1-CD2 3.71Å; Y70-L102 HydrophobicContact CE1-CG 4.19Å; Y70-L102 VanDerWaalsContact OH-CD1 3.25Å; Y70-L102 WeakPolarHBondContact OH-CD1 3.37Å; F90-L102 HydrophobicContact CD1-CB 3.85Å; F90-L102 HydrophobicContact CE1-CB 4.06Å; F90-L102 HydrophobicContact CG-CB 4.34Å; F90-L102 HydrophobicContact CZ-CD1 4.48Å |
| 103 | I | 83.2 | Confident | 79 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.1 | -175.5 | -54.5 | -172.1 | 0 | 0 | 0 | 109.8 | V25 I42 L53 V54 F90 S91 T92 Y94 V101 | V25-I103 HydrophobicContact CG1-CD1 4.44Å; I42-I103 HydrophobicContact CD1-CD1 3.87Å; I42-I103 HydrophobicContact CD1-CG1 4.34Å; I42-I103 HydrophobicContact CD1-CG2 4.14Å; L53-I103 HydrophobicContact CB-CG2 3.76Å; L53-I103 HydrophobicContact CD1-CG2 3.71Å; L53-I103 HydrophobicContact CG-CG2 4.28Å; V54-I103 WeakPolarHBondContact O-CA 3.44Å; F90-I103 CarbonylContact C-O 3.58Å; F90-I103 VanDerWaalsContact CA-O 3.29Å; F90-I103 WeakPolarHBondContact CA-O 3.49Å; S91-I103 PolarHBondContact N-O 2.95Å; T92-I103 PolarHBondContact N-O 2.92Å; T92-I103 PolarHBondContact O-N 3.42Å; Y94-I103 HydrophobicContact CD2-CD1 3.89Å; Y94-I103 HydrophobicContact CD2-CG1 4.43Å; Y94-I103 HydrophobicContact CE2-CD1 3.65Å; Y94-I103 HydrophobicContact CE2-CG1 4.48Å; V101-I103 HydrophobicContact CG1-CG1 4.11Å |
| 104 | R | 84.3 | Confident | 79.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 169 | 168.3 | 64 | 163.3 | 176.1 | 83.3 | -11.2 | 110.9 | L53 V54 L89 F90 D181 | L53-R104 CarbonylContact C-O 3.58Å; L53-R104 WeakPolarHBondContact CA-O 3.45Å; L53-R104 WeakPolarHBondContact CB-O 3.42Å; V54-R104 HydrophobicContact CB-CG 4.14Å; V54-R104 PolarHBondContact N-O 2.92Å; V54-R104 PolarHBondContact O-N 3.16Å; V54-R104 VanDerWaalsContact O-N 3.09Å; L89-R104 VanDerWaalsContact O-CB 3.22Å; L89-R104 WeakPolarHBondContact O-CB 3.39Å; F90-R104 HydrophobicContact CD1-CB 3.96Å; F90-R104 HydrophobicContact CD1-CG 4.24Å; F90-R104 HydrophobicContact CE1-CB 4.43Å; F90-R104 HydrophobicContact CE1-CG 4.23Å; R104-D181 IonicContact CZ-OD1 3.66Å; R104-D181 IonicContact CZ-OD2 3.53Å; R104-D181 IonicContact NE-OD1 2.78Å; R104-D181 PolarHBondContact NE-OD1 3.5Å; R104-D181 IonicContact NE-OD2 3.42Å; R104-D181 PolarHBondContact NE-OD2 2.9Å; R104-D181 IonicContact NH2-OD1 3.64Å; R104-D181 IonicContact NH2-OD2 2.77Å; R104-D181 PolarHBondContact NH2-OD2 2.86Å |
| 105 | D | 79 | Confident | 80.2 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 147.4 | 173.6 | -72 | 7.8 | 0 | 0 | 0 | 112.5 | L53 L88 I542 | L53-D105 WeakPolarHBondContact CD2-OD1 3.43Å; L88-D105 HydrophobicContact CD1-CB 4.44Å; D105-I542 WeakPolarHBondContact OD2-CB 3.48Å; D105-I542 WeakPolarHBondContact OD2-CG1 3.46Å |
| 106 | F | 82.2 | Confident | 80.8 | Confident | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | trans | -83.8 | 134.2 | 172.4 | -179.2 | -101.1 | 0 | 0 | 0 | 111 | L31 K41 S52 V54 D108 | L31-F106 HydrophobicContact CD1-CD2 4.49Å; L31-F106 HydrophobicContact CD1-CE2 4.23Å; K41-F106 HydrophobicContact CD-CD2 4.2Å; K41-F106 HydrophobicContact CD-CE1 4.39Å; K41-F106 HydrophobicContact CD-CE2 3.88Å; K41-F106 HydrophobicContact CD-CZ 3.99Å; K41-F106 HydrophobicContact CG-CD2 3.96Å; K41-F106 HydrophobicContact CG-CE2 4.07Å; K41-F106 HydrophobicContact CG-CG 4.45Å; S52-F106 VanDerWaalsContact O-CB 3.29Å; S52-F106 WeakPolarHBondContact O-CB 3.37Å; S52-F106 PolarHBondContact O-N 3.08Å; V54-F106 HydrophobicContact CG2-CB 4.14Å; V54-F106 HydrophobicContact CG2-CD2 3.69Å; V54-F106 HydrophobicContact CG2-CG 4.41Å; F106-D108 WeakPolarHBondContact CD1-OD1 3.43Å; F106-D108 HydrophobicContact CE1-CB 4.34Å; F106-D108 WeakPolarHBondContact CE1-OD1 3.47Å | ||
| 107 | I | 80.7 | Confident | 81.2 | Confident | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | trans | -131.8 | 122.2 | 175.2 | -51 | -68.8 | 0 | 0 | 0 | 107.2 | L88 Q109 L170 L178 P541 | L88-I107 HydrophobicContact CD2-CG1 4.16Å; I107-Q109 VanDerWaalsContact C-N 3.3Å; I107-Q109 PolarHBondContact O-N 3.29Å; I107-L170 HydrophobicContact CB-CB 4.18Å; I107-L170 HydrophobicContact CB-CD1 4.09Å; I107-L170 HydrophobicContact CG1-CD1 4.11Å; I107-L170 HydrophobicContact CG2-CB 4.04Å; I107-L178 HydrophobicContact CD1-CD1 3.87Å; I107-L178 HydrophobicContact CG1-CD1 4.06Å; I107-P541 HydrophobicContact CD1-CB 3.96Å | ||
| 108 | D | 72.7 | Confident | 81.6 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -67.5 | -16 | -165.9 | -67.2 | 43.2 | 0 | 0 | 0 | 116.5 | F106 S535 T538 | F106-D108 WeakPolarHBondContact CD1-OD1 3.43Å; F106-D108 HydrophobicContact CE1-CB 4.34Å; F106-D108 WeakPolarHBondContact CE1-OD1 3.47Å; D108-S535 WeakPolarHBondContact OD2-CB 3.5Å; D108-T538 HydrophobicContact CB-CG2 3.69Å; D108-T538 WeakPolarHBondContact OD1-CG2 3.49Å; D108-T538 WeakPolarHBondContact OD2-CG2 3.37Å |
| 109 | Q | 81.2 | Confident | 81.8 | Confident | 58 Ų | 58 | 36 Ų | 36 | 27% | 0.271 | 18% | 0.184 | S | C | . | . | trans | -136.3 | 126.4 | -175 | -61.9 | -168.8 | -9.7 | 0 | 0 | 112 | I107 I171 | I107-Q109 VanDerWaalsContact C-N 3.3Å; I107-Q109 PolarHBondContact O-N 3.29Å; Q109-I171 PolarHBondContact O-N 3.03Å | ||
| 110 | S | 88.5 | Confident | 82.2 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -82.6 | 166.9 | 157.5 | 76.4 | 0 | 0 | 0 | 0 | 110.6 | A112 D113 R114 V169 | S110-A112 PolarHBondContact O-N 3.23Å; S110-A112 PolarHBondContact OG-N 2.95Å; S110-D113 VanDerWaalsContact CB-OD2 3.29Å; S110-D113 WeakPolarHBondContact CB-OD2 3.47Å; S110-D113 PolarHBondContact N-OD2 3.36Å; S110-D113 PolarHBondContact O-N 3.25Å; S110-D113 VanDerWaalsContact OG-CG 3.29Å; S110-D113 PolarHBondContact OG-N 2.89Å; S110-D113 PolarHBondContact OG-OD2 3.17Å; S110-R114 PolarHBondContact O-N 2.92Å; S110-V169 CarbonylContact C-O 3.53Å; S110-V169 WeakPolarHBondContact CA-O 3.36Å |
| 111 | L | 91.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -36.8 | 172.5 | 173 | 55.5 | 0 | 0 | 0 | 111.7 | D113 R114 L115 L121 I129 A166 V169 I171 V395 L399 | L111-D113 VanDerWaalsContact C-N 3.3Å; L111-D113 PolarHBondContact O-N 2.66Å; L111-R114 PolarHBondContact O-N 2.84Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.48Å; L111-L115 HydrophobicContact CD1-CG 3.96Å; L111-L115 HydrophobicContact CG-CD1 4.2Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.48Å; L111-L121 HydrophobicContact CD1-CD1 4.49Å; L111-I129 HydrophobicContact CD1-CG2 4.46Å; L111-A166 PolarHBondContact N-O 3.07Å; L111-V169 HydrophobicContact CB-CB 4.1Å; L111-V169 HydrophobicContact CB-CG1 4.1Å; L111-V169 HydrophobicContact CD2-CB 4.48Å; L111-V169 HydrophobicContact CD2-CG1 4.21Å; L111-V169 PolarHBondContact N-O 2.68Å; L111-I171 HydrophobicContact CB-CD1 3.89Å; L111-I171 HydrophobicContact CB-CG1 4.48Å; L111-I171 HydrophobicContact CD1-CD1 3.78Å; L111-I171 HydrophobicContact CG-CD1 4.38Å; L111-V395 HydrophobicContact CD2-CG1 3.55Å; L111-L399 HydrophobicContact CD1-CD1 3.97Å |
| 112 | A | 87.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S110 A166 | S110-A112 PolarHBondContact O-N 3.23Å; S110-A112 PolarHBondContact OG-N 2.95Å; A112-A166 HydrophobicContact CB-CB 4.12Å |
| 113 | D | 85.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 45 Ų | 45 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -76.4 | -37.1 | 175.4 | -47.1 | -57.1 | 0 | 0 | 0 | 111.2 | S110 L111 L115 C116 T117 | S110-D113 VanDerWaalsContact CB-OD2 3.29Å; S110-D113 WeakPolarHBondContact CB-OD2 3.47Å; S110-D113 PolarHBondContact N-OD2 3.36Å; S110-D113 PolarHBondContact O-N 3.25Å; S110-D113 VanDerWaalsContact OG-CG 3.29Å; S110-D113 PolarHBondContact OG-N 2.89Å; S110-D113 PolarHBondContact OG-OD2 3.17Å; L111-D113 VanDerWaalsContact C-N 3.3Å; L111-D113 PolarHBondContact O-N 2.66Å; D113-L115 PolarHBondContact O-N 3.25Å; D113-C116 PolarHBondContact O-N 3.1Å; D113-T117 WeakPolarHBondContact O-CG2 3.41Å; D113-T117 PolarHBondContact O-OG1 3.02Å; D113-T117 VanDerWaalsContact O-OG1 3.08Å |
| 114 | R | 85.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -34.6 | -178.8 | -176.9 | 61.6 | -163.1 | 98.3 | -3.7 | 112.6 | S110 L111 C116 T117 P119 L121 I171 | S110-R114 PolarHBondContact O-N 2.92Å; L111-R114 PolarHBondContact O-N 2.84Å; R114-C116 VanDerWaalsContact C-N 3.32Å; R114-C116 PolarHBondContact O-N 3.4Å; R114-T117 WeakPolarHBondContact CA-OG1 3.32Å; R114-T117 PolarHBondContact NH1-O 3.27Å; R114-T117 PolarHBondContact NH1-OG1 2.88Å; R114-T117 PolarHBondContact O-N 2.94Å; R114-T117 PolarHBondContact O-OG1 3.02Å; R114-P119 PolarHBondContact NH1-O 3.18Å; R114-P119 VanDerWaalsContact NH1-O 3.16Å; R114-P119 PolarHBondContact NH2-O 3.31Å; R114-L121 HydrophobicContact CG-CD1 4.17Å; R114-L121 HydrophobicContact CG-CD2 4.06Å; R114-L121 HydrophobicContact CG-CG 4.32Å; R114-I171 HydrophobicContact CB-CD1 4.23Å; R114-I171 HydrophobicContact CG-CD1 4.32Å |
| 115 | L | 87.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.6 | -75.2 | 164.6 | 0 | 0 | 0 | 112.1 | L111 D113 T117 L121 E398 L399 | L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.48Å; L111-L115 HydrophobicContact CD1-CG 3.96Å; L111-L115 HydrophobicContact CG-CD1 4.2Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.48Å; D113-L115 PolarHBondContact O-N 3.25Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.35Å; L115-L121 HydrophobicContact CD2-CD1 4.11Å; L115-E398 HydrophobicContact CD1-CG 4.22Å; L115-L399 HydrophobicContact CD2-CD1 4.17Å |
| 116 | C | 83 | Confident | 84.7 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 72% | 0.723 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5 | -177 | -63.4 | 0 | 0 | 0 | 0 | 114.7 | D113 R114 | D113-C116 PolarHBondContact O-N 3.1Å; R114-C116 VanDerWaalsContact C-N 3.32Å; R114-C116 PolarHBondContact O-N 3.4Å |
| 117 | T | 79.5 | Confident | 85.3 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -108.5 | 137.6 | -169.5 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | D113 R114 L115 P119 | D113-T117 WeakPolarHBondContact O-CG2 3.41Å; D113-T117 PolarHBondContact O-OG1 3.02Å; D113-T117 VanDerWaalsContact O-OG1 3.08Å; R114-T117 WeakPolarHBondContact CA-OG1 3.32Å; R114-T117 PolarHBondContact NH1-O 3.27Å; R114-T117 PolarHBondContact NH1-OG1 2.88Å; R114-T117 PolarHBondContact O-N 2.94Å; R114-T117 PolarHBondContact O-OG1 3.02Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.35Å; T117-P119 CarbonylContact O-C 3.52Å |
| 118 | R | 76.9 | Confident | 85.9 | Confident | 200 Ų | 200 | 45.6 Ų | 45.6 | 76% | 0.755 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -83 | 149.3 | 175.9 | -72.8 | -174.2 | 178.7 | -121.2 | 2.4 | 111.9 | F120 | R118-F120 HydrophobicContact CG-CD1 4.47Å; R118-F120 HydrophobicContact CG-CD2 4.36Å; R118-F120 HydrophobicContact CG-CE1 4.02Å; R118-F120 HydrophobicContact CG-CE2 3.91Å; R118-F120 HydrophobicContact CG-CZ 3.72Å |
| 119 | P | 75.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 42.9 Ų | 42.9 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | S | Bend | cis | -66.1 | 145 | -10.5 | 30 | -35.3 | 0 | 0 | 0 | 110.8 | R114 T117 | R114-P119 PolarHBondContact NH1-O 3.18Å; R114-P119 VanDerWaalsContact NH1-O 3.16Å; R114-P119 PolarHBondContact NH2-O 3.31Å; T117-P119 CarbonylContact O-C 3.52Å |
| 120 | F | 83.1 | Confident | 87.6 | Confident | 99 Ų | 99 | 40.1 Ų | 40.1 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 157.3 | -178.3 | -59.1 | -64.8 | 0 | 0 | 0 | 111.9 | R118 C122 R611 | R118-F120 HydrophobicContact CG-CD1 4.47Å; R118-F120 HydrophobicContact CG-CD2 4.36Å; R118-F120 HydrophobicContact CG-CE1 4.02Å; R118-F120 HydrophobicContact CG-CE2 3.91Å; R118-F120 HydrophobicContact CG-CZ 3.72Å; F120-C122 PolarHBondContact O-N 3.42Å; F120-R611 PolarHBondContact O-NH2 2.93Å |
| 121 | L | 87.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 121.8 | 176.1 | -65.5 | 172.9 | 0 | 0 | 0 | 109.6 | L111 R114 L115 D125 K126 I129 L399 | L111-L121 HydrophobicContact CD1-CD1 4.49Å; R114-L121 HydrophobicContact CG-CD1 4.17Å; R114-L121 HydrophobicContact CG-CD2 4.06Å; R114-L121 HydrophobicContact CG-CG 4.32Å; L115-L121 HydrophobicContact CD2-CD1 4.11Å; L121-D125 WeakPolarHBondContact CA-OD2 3.46Å; L121-D125 HydrophobicContact CB-CB 4.15Å; L121-D125 HydrophobicContact CD2-CB 3.74Å; L121-K126 HydrophobicContact CB-CG 4Å; L121-I129 HydrophobicContact CD1-CD1 3.77Å; L121-I129 HydrophobicContact CD2-CD1 3.9Å; L121-I129 HydrophobicContact CG-CD1 4.49Å; L121-L399 HydrophobicContact CD1-CD1 4Å |
| 122 | C | 88.4 | Confident | 88 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 168.5 | 172.7 | 75.1 | 0 | 0 | 0 | 0 | 110 | F120 E124 D125 K126 | F120-C122 PolarHBondContact O-N 3.42Å; C122-E124 PolarHBondContact O-N 2.88Å; C122-E124 VanDerWaalsContact O-N 3.13Å; C122-D125 PolarHBondContact N-OD2 3.23Å; C122-D125 PolarHBondContact O-N 3.2Å; C122-D125 VanDerWaalsContact SG-CG 3.56Å; C122-D125 PolarHBondContact SG-OD2 3.46Å; C122-D125 VanDerWaalsContact SG-OD2 3.33Å; C122-K126 WeakPolarHBondContact O-CG 3.21Å; C122-K126 PolarHBondContact O-N 2.96Å |
| 123 | I | 89.6 | Confident | 88.4 | Confident | 59 Ų | 59 | 40 Ų | 40 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.7 | -33.5 | -179 | -172 | 61.9 | 0 | 0 | 0 | 112.8 | K126 R127 F400 P431 | I123-K126 PolarHBondContact O-N 2.87Å; I123-R127 WeakPolarHBondContact O-CB 3.46Å; I123-R127 VanDerWaalsContact O-CG 3.24Å; I123-R127 WeakPolarHBondContact O-CG 3.32Å; I123-R127 PolarHBondContact O-N 3.21Å; I123-F400 HydrophobicContact CD1-CD1 4.29Å; I123-F400 HydrophobicContact CD1-CE1 3.83Å; I123-P431 HydrophobicContact CD1-CG 4.45Å |
| 124 | E | 89.8 | Confident | 88.8 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.5 | -38 | 176.6 | -50 | -46.8 | 149.7 | 0 | 0 | 113 | C122 K126 R127 W128 T516 | C122-E124 PolarHBondContact O-N 2.88Å; C122-E124 VanDerWaalsContact O-N 3.13Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-R127 PolarHBondContact O-N 3.31Å; E124-R127 IonicContact OE1-CZ 2.71Å; E124-R127 IonicContact OE1-NH1 3.58Å; E124-R127 PolarHBondContact OE1-NH1 2.66Å; E124-R127 WeakPolarHBondContact OE2-CD 3.32Å; E124-R127 IonicContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NH1 3.53Å; E124-R127 PolarHBondContact OE2-NH1 3.3Å; E124-W128 VanDerWaalsContact O-CB 3.28Å; E124-W128 WeakPolarHBondContact O-CB 3.3Å; E124-W128 PolarHBondContact O-N 3.25Å; E124-T516 HydrophobicContact CB-CG2 4.09Å; E124-T516 HydrophobicContact CG-CG2 4.16Å |
| 125 | D | 90.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 172.3 | -50.6 | -49.6 | 0 | 0 | 0 | 110.2 | L121 C122 W128 I129 N523 R611 | L121-D125 WeakPolarHBondContact CA-OD2 3.46Å; L121-D125 HydrophobicContact CB-CB 4.15Å; L121-D125 HydrophobicContact CD2-CB 3.74Å; C122-D125 PolarHBondContact N-OD2 3.23Å; C122-D125 PolarHBondContact O-N 3.2Å; C122-D125 VanDerWaalsContact SG-CG 3.56Å; C122-D125 PolarHBondContact SG-OD2 3.46Å; C122-D125 VanDerWaalsContact SG-OD2 3.33Å; D125-W128 PolarHBondContact O-N 2.96Å; D125-I129 WeakPolarHBondContact O-CB 3.49Å; D125-I129 VanDerWaalsContact O-CG1 3.31Å; D125-I129 WeakPolarHBondContact O-CG1 3.47Å; D125-I129 PolarHBondContact O-N 3.48Å; D125-N523 PolarHBondContact OD1-ND2 3.25Å; D125-R611 IonicContact OD1-NH1 2.85Å; D125-R611 PolarHBondContact OD1-NH1 2.86Å; D125-R611 IonicContact OD2-CZ 2.68Å; D125-R611 VanDerWaalsContact OD2-CZ 3.28Å; D125-R611 IonicContact OD2-NH1 3.48Å; D125-R611 PolarHBondContact OD2-NH1 2.81Å; D125-R611 IonicContact OD2-NH2 3.17Å; D125-R611 PolarHBondContact OD2-NH2 3.16Å |
| 126 | K | 92.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.9 | -66 | -175.8 | 178.2 | -170.7 | 0 | 111.6 | L121 C122 I123 E124 W128 I129 A130 L399 F400 D402 | L121-K126 HydrophobicContact CB-CG 4Å; C122-K126 WeakPolarHBondContact O-CG 3.21Å; C122-K126 PolarHBondContact O-N 2.96Å; I123-K126 PolarHBondContact O-N 2.87Å; E124-K126 VanDerWaalsContact C-N 3.33Å; K126-W128 VanDerWaalsContact C-N 3.35Å; K126-W128 PolarHBondContact O-N 3.45Å; K126-I129 PolarHBondContact O-N 2.91Å; K126-A130 VanDerWaalsContact O-CB 3.29Å; K126-A130 WeakPolarHBondContact O-CB 3.25Å; K126-A130 PolarHBondContact O-N 3.48Å; K126-L399 HydrophobicContact CB-CD1 4.17Å; K126-L399 HydrophobicContact CB-CG 4.32Å; K126-L399 WeakPolarHBondContact CD-O 3.28Å; K126-L399 WeakPolarHBondContact CE-O 3.42Å; K126-L399 HydrophobicContact CG-CD1 3.86Å; K126-L399 HydrophobicContact CG-CG 4.37Å; K126-L399 PolarHBondContact NZ-O 2.95Å; K126-F400 HydrophobicContact CB-CE1 4.07Å; K126-F400 HydrophobicContact CB-CZ 4.28Å; K126-F400 HydrophobicContact CD-CD1 4.39Å; K126-D402 VanDerWaalsContact CE-OD1 3.24Å; K126-D402 WeakPolarHBondContact CE-OD1 3.44Å; K126-D402 IonicContact NZ-OD1 3.59Å; K126-D402 PolarHBondContact NZ-OD1 2.83Å; K126-D402 IonicContact NZ-OD2 2.83Å; K126-D402 PolarHBondContact NZ-OD2 2.95Å |
| 127 | R | 93.7 | Very high | 89.8 | Confident | 50 Ų | 50 | 29.3 Ų | 29.3 | 19% | 0.189 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 173.3 | -73.5 | 168.7 | 170 | 160.1 | -1.3 | 111.9 | I123 E124 A130 Y131 T464 F465 F469 | I123-R127 WeakPolarHBondContact O-CB 3.46Å; I123-R127 VanDerWaalsContact O-CG 3.24Å; I123-R127 WeakPolarHBondContact O-CG 3.32Å; I123-R127 PolarHBondContact O-N 3.21Å; E124-R127 PolarHBondContact O-N 3.31Å; E124-R127 IonicContact OE1-CZ 2.71Å; E124-R127 IonicContact OE1-NH1 3.58Å; E124-R127 PolarHBondContact OE1-NH1 2.66Å; E124-R127 WeakPolarHBondContact OE2-CD 3.32Å; E124-R127 IonicContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NH1 3.53Å; E124-R127 PolarHBondContact OE2-NH1 3.3Å; R127-A130 PolarHBondContact O-N 3.48Å; R127-Y131 VanDerWaalsContact O-CB 3.27Å; R127-Y131 WeakPolarHBondContact O-CB 3.44Å; R127-Y131 PolarHBondContact O-N 2.9Å; R127-T464 VanDerWaalsContact CD-O 3.27Å; R127-T464 WeakPolarHBondContact CD-O 3.37Å; R127-T464 HydrophobicContact CG-CG2 4.48Å; R127-T464 VanDerWaalsContact CG-O 3.25Å; R127-T464 WeakPolarHBondContact CG-O 3.3Å; R127-T464 PolarHBondContact NE-O 3.34Å; R127-F465 WeakPolarHBondContact O-CE1 3.38Å; R127-F469 HydrophobicContact CB-CE2 4.02Å; R127-F469 HydrophobicContact CB-CZ 4.21Å |
| 128 | W | 94 | Very high | 90.3 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | -179.3 | 179.9 | -118.5 | 0 | 0 | 0 | 113.1 | E124 D125 K126 Y131 Q132 G175 W176 F469 L473 T474 L477 I520 | E124-W128 VanDerWaalsContact O-CB 3.28Å; E124-W128 WeakPolarHBondContact O-CB 3.3Å; E124-W128 PolarHBondContact O-N 3.25Å; D125-W128 PolarHBondContact O-N 2.96Å; K126-W128 VanDerWaalsContact C-N 3.35Å; K126-W128 PolarHBondContact O-N 3.45Å; W128-Y131 AromaticContact CE3-CD1 3.9Å; W128-Y131 HydrophobicContact CE3-CD1 3.9Å; W128-Y131 HydrophobicContact CE3-CE1 4.47Å; W128-Y131 HydrophobicContact CH2-CD1 4.39Å; W128-Y131 HydrophobicContact CH2-CE1 4.32Å; W128-Y131 AromaticContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CD1 3.61Å; W128-Y131 AromaticContact CZ3-CE1 3.74Å; W128-Y131 HydrophobicContact CZ3-CE1 3.74Å; W128-Q132 VanDerWaalsContact CD1-NE2 3.32Å; W128-Q132 HydrophobicContact CD2-CG 4.47Å; W128-Q132 VanDerWaalsContact CE2-NE2 3.3Å; W128-Q132 HydrophobicContact CH2-CG 4.28Å; W128-Q132 HydrophobicContact CZ2-CG 4.05Å; W128-Q132 WeakPolarHBondContact O-CG 3.4Å; W128-Q132 PolarHBondContact O-N 3.2Å; W128-Q132 PolarHBondContact O-NE2 2.93Å; W128-G175 PolarHBondContact NE1-O 3.36Å; W128-W176 HydrophobicContact CH2-CZ3 4.32Å; W128-W176 HydrophobicContact CZ2-CE3 4.07Å; W128-W176 AromaticContact CZ2-CZ3 3.86Å; W128-W176 HydrophobicContact CZ2-CZ3 3.86Å; W128-F469 HydrophobicContact CB-CE2 4.26Å; W128-F469 HydrophobicContact CB-CZ 3.94Å; W128-F469 HydrophobicContact CE3-CB 4.47Å; W128-F469 AromaticContact CE3-CD1 3.87Å; W128-F469 HydrophobicContact CE3-CD1 3.87Å; W128-F469 AromaticContact CE3-CD2 3.9Å; W128-F469 HydrophobicContact CE3-CD2 3.9Å; W128-F469 AromaticContact CE3-CE1 3.94Å; W128-F469 HydrophobicContact CE3-CE1 3.94Å; W128-F469 AromaticContact CE3-CE2 4Å; W128-F469 HydrophobicContact CE3-CE2 4Å; W128-F469 AromaticContact CE3-CG 3.84Å; W128-F469 HydrophobicContact CE3-CG 3.84Å; W128-F469 HydrophobicContact CE3-CZ 4.02Å; W128-F469 HydrophobicContact CZ3-CB 4.17Å; W128-F469 HydrophobicContact CZ3-CD1 4.21Å; W128-F469 HydrophobicContact CZ3-CD2 4.39Å; W128-F469 HydrophobicContact CZ3-CG 4.03Å; W128-L473 HydrophobicContact CD2-CD2 4.39Å; W128-L473 HydrophobicContact CE3-CD2 3.96Å; W128-L473 HydrophobicContact CH2-CD2 4.34Å; W128-L473 HydrophobicContact CH2-CG 4.28Å; W128-L473 HydrophobicContact CZ3-CD2 3.93Å; W128-L473 HydrophobicContact CZ3-CG 4.26Å; W128-T474 WeakPolarHBondContact CH2-OG1 3.48Å; W128-L477 HydrophobicContact CH2-CD1 4Å; W128-L477 HydrophobicContact CZ2-CD1 3.43Å; W128-L477 VanDerWaalsContact CZ2-CD1 3.43Å; W128-I520 HydrophobicContact CB-CD1 3.8Å; W128-I520 HydrophobicContact CB-CG1 4.42Å; W128-I520 HydrophobicContact CD2-CD1 4.07Å; W128-I520 HydrophobicContact CD2-CG2 4.47Å; W128-I520 HydrophobicContact CE3-CD1 4.41Å; W128-I520 HydrophobicContact CG-CD1 3.78Å; W128-I520 HydrophobicContact CG-CG1 4.3Å; W128-I520 HydrophobicContact CG-CG2 4.37Å |
| 129 | I | 94.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.4 | -47.3 | 173 | -70.2 | 162.5 | 0 | 0 | 0 | 110.5 | L111 L121 D125 K126 Y131 Q132 L133 I171 V177 L399 | L111-I129 HydrophobicContact CD1-CG2 4.46Å; L121-I129 HydrophobicContact CD1-CD1 3.77Å; L121-I129 HydrophobicContact CD2-CD1 3.9Å; L121-I129 HydrophobicContact CG-CD1 4.49Å; D125-I129 WeakPolarHBondContact O-CB 3.49Å; D125-I129 VanDerWaalsContact O-CG1 3.31Å; D125-I129 WeakPolarHBondContact O-CG1 3.47Å; D125-I129 PolarHBondContact O-N 3.48Å; K126-I129 PolarHBondContact O-N 2.91Å; I129-Y131 PolarHBondContact O-N 3.01Å; I129-Q132 PolarHBondContact O-N 3.48Å; I129-L133 WeakPolarHBondContact O-CB 3.2Å; I129-L133 PolarHBondContact O-N 3.33Å; I129-I171 HydrophobicContact CD1-CD1 3.98Å; I129-I171 HydrophobicContact CG1-CD1 4.37Å; I129-I171 HydrophobicContact CG2-CD1 4.42Å; I129-V177 HydrophobicContact CB-CG2 4.21Å; I129-V177 HydrophobicContact CG1-CG2 4.18Å; I129-V177 HydrophobicContact CG2-CG2 3.95Å; I129-L399 HydrophobicContact CB-CD2 4.25Å; I129-L399 HydrophobicContact CG2-CD2 3.86Å |
| 130 | A | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K126 R127 L134 L396 L399 F400 F465 | K126-A130 VanDerWaalsContact O-CB 3.29Å; K126-A130 WeakPolarHBondContact O-CB 3.25Å; K126-A130 PolarHBondContact O-N 3.48Å; R127-A130 PolarHBondContact O-N 3.48Å; A130-L134 PolarHBondContact O-N 3.05Å; A130-L396 HydrophobicContact CB-CD2 3.52Å; A130-L399 HydrophobicContact CB-CD2 4.11Å; A130-F400 HydrophobicContact CB-CE2 4Å; A130-F400 HydrophobicContact CB-CZ 4.42Å; A130-F465 HydrophobicContact CB-CE1 3.93Å; A130-F465 HydrophobicContact CB-CZ 4.27Å |
| 131 | Y | 95.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 16 Ų | 16 | 5% | 0.051 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.6 | -55.2 | 172.9 | 170.4 | -102.1 | 0 | 0 | 0 | 111.4 | R127 W128 I129 L133 L134 C135 L457 F465 F469 Y470 T474 | R127-Y131 VanDerWaalsContact O-CB 3.27Å; R127-Y131 WeakPolarHBondContact O-CB 3.44Å; R127-Y131 PolarHBondContact O-N 2.9Å; W128-Y131 AromaticContact CE3-CD1 3.9Å; W128-Y131 HydrophobicContact CE3-CD1 3.9Å; W128-Y131 HydrophobicContact CE3-CE1 4.47Å; W128-Y131 HydrophobicContact CH2-CD1 4.39Å; W128-Y131 HydrophobicContact CH2-CE1 4.32Å; W128-Y131 AromaticContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CD1 3.61Å; W128-Y131 AromaticContact CZ3-CE1 3.74Å; W128-Y131 HydrophobicContact CZ3-CE1 3.74Å; I129-Y131 PolarHBondContact O-N 3.01Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 2.85Å; Y131-L134 PolarHBondContact O-N 3.42Å; Y131-C135 PolarHBondContact O-N 3.12Å; Y131-C135 PolarHBondContact O-SG 3.38Å; Y131-C135 VanDerWaalsContact O-SG 3.33Å; Y131-L457 HydrophobicContact CD2-CD2 3.78Å; Y131-L457 HydrophobicContact CE2-CD2 3.93Å; Y131-F465 HydrophobicContact CD2-CB 4.21Å; Y131-F465 HydrophobicContact CD2-CD2 4.22Å; Y131-F465 HydrophobicContact CD2-CG 4.06Å; Y131-F469 HydrophobicContact CD1-CB 4.31Å; Y131-F469 HydrophobicContact CD1-CD2 4.13Å; Y131-F469 HydrophobicContact CD2-CB 4.49Å; Y131-F469 HydrophobicContact CD2-CD2 4.27Å; Y131-F469 HydrophobicContact CE1-CB 4.16Å; Y131-F469 HydrophobicContact CE2-CB 4.33Å; Y131-F469 HydrophobicContact CG-CB 4.48Å; Y131-F469 AromaticContact CG-CD2 3.85Å; Y131-F469 HydrophobicContact CG-CD2 3.85Å; Y131-Y470 HydrophobicContact CD2-CE2 4.27Å; Y131-Y470 HydrophobicContact CE2-CD1 4.03Å; Y131-Y470 HydrophobicContact CE2-CD2 4.17Å; Y131-Y470 AromaticContact CE2-CE1 3.75Å; Y131-Y470 HydrophobicContact CE2-CE1 3.75Å; Y131-Y470 AromaticContact CE2-CE2 3.84Å; Y131-Y470 HydrophobicContact CE2-CE2 3.84Å; Y131-Y470 HydrophobicContact CE2-CG 4.23Å; Y131-Y470 AromaticContact CE2-CZ 3.62Å; Y131-T474 VanDerWaalsContact CE1-OG1 3.31Å; Y131-T474 WeakPolarHBondContact CE1-OG1 3.32Å; Y131-T474 PolarHBondContact OH-OG1 2.99Å |
| 132 | Q | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.3 | -33 | -179.2 | -70 | 172.5 | 87.5 | 0 | 0 | 113.4 | W128 I129 C135 A136 G175 W176 V177 | W128-Q132 VanDerWaalsContact CD1-NE2 3.32Å; W128-Q132 HydrophobicContact CD2-CG 4.47Å; W128-Q132 VanDerWaalsContact CE2-NE2 3.3Å; W128-Q132 HydrophobicContact CH2-CG 4.28Å; W128-Q132 HydrophobicContact CZ2-CG 4.05Å; W128-Q132 WeakPolarHBondContact O-CG 3.4Å; W128-Q132 PolarHBondContact O-N 3.2Å; W128-Q132 PolarHBondContact O-NE2 2.93Å; I129-Q132 PolarHBondContact O-N 3.48Å; Q132-C135 CarbonylContact O-C 3.48Å; Q132-C135 WeakPolarHBondContact O-CB 3.4Å; Q132-C135 PolarHBondContact O-N 3.28Å; Q132-A136 WeakPolarHBondContact O-CB 3.36Å; Q132-A136 PolarHBondContact O-N 3.03Å; Q132-G175 PolarHBondContact NE2-O 3.39Å; Q132-W176 VanDerWaalsContact OE1-CA 3.29Å; Q132-W176 VanDerWaalsContact OE1-CD2 3.28Å; Q132-W176 VanDerWaalsContact OE1-CE3 3.25Å; Q132-V177 HydrophobicContact CB-CB 3.76Å; Q132-V177 HydrophobicContact CB-CG2 3.92Å |
| 133 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.9 | -178.2 | 58.2 | 0 | 0 | 0 | 111.7 | I129 Y131 A136 V137 V169 I392 V395 L396 | I129-L133 WeakPolarHBondContact O-CB 3.2Å; I129-L133 PolarHBondContact O-N 3.33Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 2.85Å; L133-A136 WeakPolarHBondContact O-CB 3.25Å; L133-A136 PolarHBondContact O-N 2.84Å; L133-V137 PolarHBondContact O-N 2.91Å; L133-V169 HydrophobicContact CD1-CG1 4.26Å; L133-V169 HydrophobicContact CD1-CG2 3.7Å; L133-V169 HydrophobicContact CD2-CG2 4.17Å; L133-I392 HydrophobicContact CD2-CG2 4.1Å; L133-I392 HydrophobicContact CG-CG2 4.3Å; L133-V395 HydrophobicContact CD2-CG1 3.96Å; L133-L396 HydrophobicContact CD2-CD2 4.24Å |
| 134 | L | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 170 | -72.9 | 173.3 | 0 | 0 | 0 | 111.5 | A130 Y131 A136 V137 D138 I392 L438 H456 L457 F465 | A130-L134 PolarHBondContact O-N 3.05Å; Y131-L134 PolarHBondContact O-N 3.42Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 3.11Å; L134-V137 PolarHBondContact O-N 2.68Å; L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.13Å; L134-I392 HydrophobicContact CD2-CG2 4.29Å; L134-L438 HydrophobicContact CD1-CD1 4.33Å; L134-L438 HydrophobicContact CD1-CD2 4.15Å; L134-H456 HydrophobicContact CD1-CB 4.29Å; L134-L457 HydrophobicContact CB-CD1 4.34Å; L134-L457 HydrophobicContact CB-CD2 3.77Å; L134-L457 HydrophobicContact CB-CG 3.95Å; L134-L457 HydrophobicContact CD1-CD2 4.38Å; L134-F465 HydrophobicContact CD1-CE2 3.78Å; L134-F465 HydrophobicContact CD1-CZ 3.87Å |
| 135 | C | 92.9 | Very high | 85.8 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 173.4 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | Y131 Q132 D138 Q139 | Y131-C135 PolarHBondContact O-N 3.12Å; Y131-C135 PolarHBondContact O-SG 3.38Å; Y131-C135 VanDerWaalsContact O-SG 3.33Å; Q132-C135 CarbonylContact O-C 3.48Å; Q132-C135 WeakPolarHBondContact O-CB 3.4Å; Q132-C135 PolarHBondContact O-N 3.28Å; C135-D138 PolarHBondContact O-N 2.82Å; C135-Q139 VanDerWaalsContact C-NE2 3.3Å; C135-Q139 WeakPolarHBondContact O-CB 3.33Å; C135-Q139 VanDerWaalsContact O-CD 3.28Å; C135-Q139 WeakPolarHBondContact O-CG 3.09Å; C135-Q139 PolarHBondContact O-N 3.33Å; C135-Q139 PolarHBondContact O-NE2 3.32Å |
| 136 | A | 91.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N86 L87 Q132 L133 L134 Q139 L140 L179 | N86-A136 HydrophobicContact CB-CB 3.55Å; L87-A136 HydrophobicContact CD2-CB 4.16Å; L87-A136 WeakPolarHBondContact CD2-O 3.44Å; Q132-A136 WeakPolarHBondContact O-CB 3.36Å; Q132-A136 PolarHBondContact O-N 3.03Å; L133-A136 WeakPolarHBondContact O-CB 3.25Å; L133-A136 PolarHBondContact O-N 2.84Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 3.11Å; A136-Q139 WeakPolarHBondContact O-CB 3.49Å; A136-Q139 PolarHBondContact O-N 3.03Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 PolarHBondContact O-N 3.42Å; A136-L179 HydrophobicContact CB-CB 4.07Å |
| 137 | V | 91.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.1 | -31.5 | 179.6 | 174.8 | 0 | 0 | 0 | 0 | 112 | L133 L134 L140 H141 I164 L179 D388 I392 | L133-V137 PolarHBondContact O-N 2.91Å; L134-V137 PolarHBondContact O-N 2.68Å; V137-L140 PolarHBondContact O-N 3.26Å; V137-H141 WeakPolarHBondContact CG1-CE1 3.44Å; V137-H141 WeakPolarHBondContact CG1-NE2 3.49Å; V137-H141 VanDerWaalsContact O-CB 3.3Å; V137-H141 WeakPolarHBondContact O-CB 3.24Å; V137-H141 VanDerWaalsContact O-CG 3.23Å; V137-H141 PolarHBondContact O-N 3.49Å; V137-I164 HydrophobicContact CG2-CD1 3.75Å; V137-L179 HydrophobicContact CG2-CD2 3.73Å; V137-D388 HydrophobicContact CG1-CB 4.48Å; V137-I392 HydrophobicContact CB-CD1 3.66Å; V137-I392 HydrophobicContact CG1-CD1 3.78Å; V137-I392 HydrophobicContact CG2-CD1 3.43Å; V137-I392 VanDerWaalsContact CG2-CD1 3.43Å; V137-I392 HydrophobicContact CG2-CG1 4.18Å |
| 138 | D | 91.3 | Very high | 77.9 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 167 | -171.2 | 57.3 | 0 | 0 | 0 | 111.4 | L134 C135 L140 H141 S142 A453 A454 L457 | L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.13Å; C135-D138 PolarHBondContact O-N 2.82Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 2.93Å; D138-H141 PolarHBondContact O-N 3.47Å; D138-S142 WeakPolarHBondContact O-CB 3.39Å; D138-S142 PolarHBondContact O-N 3.04Å; D138-A453 HydrophobicContact CB-CB 3.84Å; D138-A454 WeakPolarHBondContact OD1-CB 3.25Å; D138-A454 PolarHBondContact OD1-N 3.39Å; D138-L457 HydrophobicContact CB-CD1 4.1Å |
| 139 | Q | 88.3 | Confident | 75.1 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.8 | -42.1 | 173.1 | -74.2 | 157.9 | 56.4 | 0 | 0 | 112 | Y85 N86 L87 C135 A136 S142 | Y85-Q139 HydrophobicContact CE1-CG 4.4Å; Y85-Q139 VanDerWaalsContact CZ-NE2 3.26Å; N86-Q139 PolarHBondContact OD1-NE2 3.35Å; L87-Q139 HydrophobicContact CD1-CB 4.08Å; C135-Q139 VanDerWaalsContact C-NE2 3.3Å; C135-Q139 WeakPolarHBondContact O-CB 3.33Å; C135-Q139 VanDerWaalsContact O-CD 3.28Å; C135-Q139 WeakPolarHBondContact O-CG 3.09Å; C135-Q139 PolarHBondContact O-N 3.33Å; C135-Q139 PolarHBondContact O-NE2 3.32Å; A136-Q139 WeakPolarHBondContact O-CB 3.49Å; A136-Q139 PolarHBondContact O-N 3.03Å; Q139-S142 PolarHBondContact O-OG 2.93Å |
| 140 | L | 86.5 | Confident | 72.2 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70 | -45.7 | 179.4 | -178.4 | 62.7 | 0 | 0 | 0 | 113 | I81 L87 A136 V137 D138 S142 L159 H161 | I81-L140 HydrophobicContact CD1-CD1 3.43Å; I81-L140 VanDerWaalsContact CD1-CD1 3.43Å; I81-L140 HydrophobicContact CG1-CD1 3.85Å; L87-L140 HydrophobicContact CD1-CB 4.14Å; L87-L140 HydrophobicContact CD1-CD1 4.46Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 3.26Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 2.93Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-L159 HydrophobicContact CD1-CB 3.68Å; L140-L159 HydrophobicContact CD1-CD1 4.19Å; L140-L159 HydrophobicContact CG-CB 4.18Å; L140-L159 WeakPolarHBondContact O-CB 3.17Å; L140-H161 HydrophobicContact CD2-CB 3.8Å |
| 141 | H | 88.5 | Confident | 69.4 | Low | 19 Ų | 19 | 72.4 Ų | 72.4 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -76.6 | -21.6 | -177 | -67.4 | -177.6 | 0 | 0 | 0 | 112.1 | V137 D138 L159 P385 D388 | V137-H141 WeakPolarHBondContact CG1-CE1 3.44Å; V137-H141 WeakPolarHBondContact CG1-NE2 3.49Å; V137-H141 VanDerWaalsContact O-CB 3.3Å; V137-H141 WeakPolarHBondContact O-CB 3.24Å; V137-H141 VanDerWaalsContact O-CG 3.23Å; V137-H141 PolarHBondContact O-N 3.49Å; D138-H141 PolarHBondContact O-N 3.47Å; H141-L159 PolarHBondContact CD2-O 3.15Å; H141-P385 PolarHBondContact CE1-O 3.15Å; H141-D388 IonicContact CD2-OD2 3.88Å; H141-D388 IonicContact CE1-OD2 3.83Å; H141-D388 IonicContact NE2-OD2 2.89Å; H141-D388 PolarHBondContact NE2-OD2 2.87Å |
| 142 | S | 79.6 | Confident | 66.5 | Low | 61 Ų | 61 | 75.7 Ų | 75.7 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -62.3 | 139.3 | -177.9 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | D138 Q139 L140 S144 | D138-S142 WeakPolarHBondContact O-CB 3.39Å; D138-S142 PolarHBondContact O-N 3.04Å; Q139-S142 PolarHBondContact O-OG 2.93Å; L140-S142 VanDerWaalsContact C-N 3.32Å; S142-S144 PolarHBondContact O-N 3.29Å |
| 143 | Y | 62.2 | Low | 63.4 | Low | 153 Ų | 153 | 87.6 Ų | 87.6 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | trans | -77.4 | 101.5 | 173 | -73.9 | -94.7 | 0 | 0 | 0 | 110 | T145 Y156 | Y143-T145 WeakPolarHBondContact O-CG2 3.38Å; Y143-T145 PolarHBondContact O-N 3.14Å; Y143-T145 PolarHBondContact O-OG1 2.91Å; Y143-Y156 WeakPolarHBondContact CE1-O 3.37Å | ||
| 144 | S | 51.6 | Low | 60.6 | Low | 72 Ų | 72 | 91.2 Ų | 91.2 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | trans | -65.2 | 93.8 | 174.3 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | S142 K146 | S142-S144 PolarHBondContact O-N 3.29Å; S144-K146 VanDerWaalsContact C-N 3.28Å; S144-K146 PolarHBondContact O-N 3.47Å | ||
| 145 | T | 40.4 | Very low | 57.8 | Low | 128 Ų | 128 | 99.3 Ų | 99.3 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | trans | -87.6 | 17 | -171.6 | 36.3 | 0 | 0 | 0 | 0 | 113.7 | Y143 | Y143-T145 WeakPolarHBondContact O-CG2 3.38Å; Y143-T145 PolarHBondContact O-N 3.14Å; Y143-T145 PolarHBondContact O-OG1 2.91Å | ||
| 146 | K | 38.3 | Very low | 55.7 | Low | 193 Ų | 193 | 106.3 Ų | 106.3 | 84% | 0.839 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -131 | 36.4 | -166.1 | -67.7 | -172.3 | 178.7 | 177.3 | 0 | 115.6 | S144 | S144-K146 VanDerWaalsContact C-N 3.28Å; S144-K146 PolarHBondContact O-N 3.47Å |
| 147 | A | 35 | Very low | 54.3 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -151.3 | 159 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 148 | Y | 36.3 | Very low | 53.3 | Low | 225 Ų | 225 | 110.8 Ų | 110.8 | 88% | 0.882 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 60.4 | 93.5 | 171.3 | -61.7 | -77.8 | 0 | 0 | 0 | 118.9 | ||
| 149 | S | 35.2 | Very low | 52.9 | Low | 100 Ų | 100 | 109 Ų | 109 | 70% | 0.699 | 55% | 0.551 | S | S | * | * | trans | 45.7 | 124.5 | 141.3 | -160.7 | 0 | 0 | 0 | 0 | 120.8 | H151 | S149-H151 PolarHBondContact O-N 3.01Š| ||
| 150 | K | 33.6 | Very low | 52.8 | Low | 207 Ų | 207 | 108 Ų | 108 | 90% | 0.9 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 11.9 | -179.9 | -77.5 | -178.3 | 170.5 | 178.2 | 0 | 117.1 | ||
| 151 | H | 37 | Very low | 52.9 | Low | 177 Ų | 177 | 108 Ų | 108 | 82% | 0.819 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 9.6 | -169.1 | -71.1 | -10.3 | 0 | 0 | 0 | 115.8 | S149 | S149-H151 PolarHBondContact O-N 3.01Š|
| 152 | S | 33.3 | Very low | 52.7 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | trans | -101.7 | 136.4 | 163.1 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | T154 | S152-T154 PolarHBondContact OG-OG1 3.05Å; S152-T154 VanDerWaalsContact OG-OG1 3.06Å | ||
| 153 | R | 28.5 | Very low | 53.1 | Low | 251 Ų | 251 | 104.9 Ų | 104.9 | 95% | 0.947 | 53% | 0.527 | S | S | * | . | trans | -113.8 | 21.4 | -173.7 | -137.7 | 179.8 | -165.9 | 176.6 | 3.6 | 113.2 | ||||
| 154 | T | 36.8 | Very low | 54.5 | Low | 76 Ų | 76 | 97.6 Ų | 97.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | trans | -89.9 | 118.3 | -176.7 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | S152 Y156 | S152-T154 PolarHBondContact OG-OG1 3.05Å; S152-T154 VanDerWaalsContact OG-OG1 3.06Å; T154-Y156 VanDerWaalsContact O-CD2 3.31Å; T154-Y156 WeakPolarHBondContact O-CD2 3.44Å; T154-Y156 PolarHBondContact O-N 3.25Å; T154-Y156 VanDerWaalsContact O-N 3.08Å; T154-Y156 WeakPolarHBondContact OG1-CE2 3.44Å; T154-Y156 VanDerWaalsContact OG1-CZ 3.29Å; T154-Y156 PolarHBondContact OG1-OH 3.42Å | ||
| 155 | N | 36.7 | Very low | 56.4 | Low | 170 Ų | 170 | 95.1 Ų | 95.1 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | trans | -70.6 | 98.2 | 172.5 | -73.9 | -11.7 | 0 | 0 | 0 | 110.1 | ||||
| 156 | Y | 47.9 | Very low | 58.8 | Low | 154 Ų | 154 | 89 Ų | 89 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 132.5 | 171.9 | -66 | -76.6 | 0 | 0 | 0 | 110.6 | Y143 T154 | Y143-Y156 WeakPolarHBondContact CE1-O 3.37Å; T154-Y156 VanDerWaalsContact O-CD2 3.31Å; T154-Y156 WeakPolarHBondContact O-CD2 3.44Å; T154-Y156 PolarHBondContact O-N 3.25Å; T154-Y156 VanDerWaalsContact O-N 3.08Å; T154-Y156 WeakPolarHBondContact OG1-CE2 3.44Å; T154-Y156 VanDerWaalsContact OG1-CZ 3.29Å; T154-Y156 PolarHBondContact OG1-OH 3.42Å |
| 157 | S | 62.6 | Low | 61.2 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 153.7 | 173 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | R80 | R80-S157 PolarHBondContact NH1-O 3.22Š|
| 158 | S | 70.9 | Confident | 63.8 | Low | 30 Ų | 30 | 78.5 Ų | 78.5 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 146 | 168.8 | 41.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 159 | L | 81.9 | Confident | 66.4 | Low | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -78 | 145 | 175.3 | -69.5 | -178.1 | 0 | 0 | 0 | 110.1 | Y77 R80 I81 L140 H141 | Y77-L159 HydrophobicContact CD2-CD1 4.17Å; Y77-L159 HydrophobicContact CD2-CD2 3.49Å; Y77-L159 VanDerWaalsContact CD2-CD2 3.49Å; Y77-L159 HydrophobicContact CD2-CG 4.33Å; Y77-L159 HydrophobicContact CE2-CB 4.19Å; Y77-L159 HydrophobicContact CE2-CD1 4.31Å; Y77-L159 HydrophobicContact CE2-CD2 3.77Å; Y77-L159 HydrophobicContact CE2-CG 4.33Å; Y77-L159 HydrophobicContact CG-CD1 4.41Å; Y77-L159 HydrophobicContact CG-CD2 4.35Å; R80-L159 HydrophobicContact CB-CD1 3.77Å; I81-L159 HydrophobicContact CD1-CD1 4.23Å; I81-L159 HydrophobicContact CG1-CD1 3.93Å; L140-L159 HydrophobicContact CD1-CB 3.68Å; L140-L159 HydrophobicContact CD1-CD1 4.19Å; L140-L159 HydrophobicContact CG-CB 4.18Å; L140-L159 WeakPolarHBondContact O-CB 3.17Å; H141-L159 PolarHBondContact CD2-O 3.15Å |
| 160 | C | 85.9 | Confident | 69.1 | Low | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | trans | -128.7 | 151.8 | 171.1 | -61.2 | 0 | 0 | 0 | 0 | 109 | Y77 L383 D388 | Y77-C160 WeakPolarHBondContact CE2-O 3.3Å; Y77-C160 PolarHBondContact OH-O 3.46Å; C160-L383 HydrophobicContact CB-CB 3.69Å; C160-L383 HydrophobicContact CB-CD1 4.23Å; C160-D388 WeakPolarHBondContact CA-OD2 3.24Å; C160-D388 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 161 | H | 88.8 | Confident | 71.7 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | trans | -82 | -44.7 | 179.8 | -171.6 | -65.9 | 0 | 0 | 0 | 111.1 | Y77 L140 D163 I164 N168 A180 D181 A183 D388 | Y77-H161 WeakPolarHBondContact OH-CA 3.34Å; L140-H161 HydrophobicContact CD2-CB 3.8Å; H161-D163 VanDerWaalsContact C-N 3.26Å; H161-D163 PolarHBondContact CE1-O 3Å; H161-D163 PolarHBondContact ND1-N 3.39Å; H161-D163 PolarHBondContact ND1-O 2.65Å; H161-D163 PolarHBondContact O-N 3.45Å; H161-I164 HydrophobicContact CB-CD1 3.93Å; H161-I164 HydrophobicContact CB-CG1 3.62Å; H161-N168 PolarHBondContact CE1-ND2 2.89Å; H161-A180 PolarHBondContact CE1-O 3.33Å; H161-A180 PolarHBondContact NE2-O 3.19Å; H161-D181 PolarHBondContact CE1-O 3.16Å; H161-A183 CarbonylContact O-C 3.49Å; H161-A183 WeakPolarHBondContact O-CA 3.48Å; H161-A183 PolarHBondContact O-N 2.88Å; H161-D388 PolarHBondContact N-OD1 3.3Å; H161-D388 PolarHBondContact N-OD2 3.13Å | ||
| 162 | G | 84.6 | Confident | 73.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 77 | 0.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R216 D388 | G162-R216 PolarHBondContact O-NH1 3.36Å; G162-D388 PolarHBondContact N-OD1 2.86Å |
| 163 | D | 88.2 | Confident | 75.9 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | trans | -159.2 | 52.8 | 178.6 | -170 | 43 | 0 | 0 | 0 | 111.7 | H161 N168 A183 K186 F202 | H161-D163 VanDerWaalsContact C-N 3.26Å; H161-D163 PolarHBondContact CE1-O 3Å; H161-D163 PolarHBondContact ND1-N 3.39Å; H161-D163 PolarHBondContact ND1-O 2.65Å; H161-D163 PolarHBondContact O-N 3.45Å; D163-N168 PolarHBondContact O-ND2 2.85Å; D163-A183 HydrophobicContact CB-CB 3.68Å; D163-K186 HydrophobicContact CB-CD 4.49Å; D163-K186 VanDerWaalsContact CG-NZ 3.28Å; D163-K186 IonicContact OD1-NZ 2.66Å; D163-K186 IonicContact OD2-NZ 3.65Å; D163-K186 PolarHBondContact OD2-NZ 3.3Å; D163-F202 HydrophobicContact CB-CE1 4.47Å; D163-F202 WeakPolarHBondContact OD1-CD1 3.36Å | ||
| 164 | I | 92.2 | Very high | 78.3 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -78.8 | 133.4 | 176.6 | -54.8 | -177.8 | 0 | 0 | 0 | 109.8 | V137 H161 L179 Y211 D388 I392 | V137-I164 HydrophobicContact CG2-CD1 3.75Å; H161-I164 HydrophobicContact CB-CD1 3.93Å; H161-I164 HydrophobicContact CB-CG1 3.62Å; I164-L179 HydrophobicContact CD1-CD2 4.01Å; I164-L179 HydrophobicContact CG1-CD1 4.34Å; I164-L179 HydrophobicContact CG1-CD2 4.43Å; I164-L179 HydrophobicContact CG2-CD1 4.15Å; I164-Y211 VanDerWaalsContact O-CB 3.27Å; I164-Y211 WeakPolarHBondContact O-CB 3.08Å; I164-D388 HydrophobicContact CD1-CB 3.76Å; I164-I392 HydrophobicContact CD1-CD1 4.47Å; I164-I392 HydrophobicContact CD1-CG1 4.11Å; I164-I392 HydrophobicContact CG2-CG1 4.31Å | ||
| 165 | K | 90.4 | Very high | 80.5 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | trans | -160.1 | 161.2 | -179.2 | 53.6 | 174.7 | -177.5 | 165 | 0 | 109.7 | E167 N168 V169 Y211 | K165-E167 HydrophobicContact CD-CB 3.98Å; K165-E167 HydrophobicContact CD-CG 4.48Å; K165-E167 WeakPolarHBondContact CE-OE2 3.35Å; K165-E167 HydrophobicContact CG-CB 4.17Å; K165-E167 IonicContact NZ-OE2 2.72Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.34Å; K165-E167 VanDerWaalsContact O-N 3.11Å; K165-N168 WeakPolarHBondContact CE-ND2 3.41Å; K165-N168 WeakPolarHBondContact CE-OD1 3.12Å; K165-N168 HydrophobicContact CG-CB 3.95Å; K165-N168 PolarHBondContact O-N 2.98Å; K165-V169 PolarHBondContact O-N 2.81Å; K165-Y211 HydrophobicContact CB-CD1 4.19Å; K165-Y211 HydrophobicContact CB-CD2 3.44Å; K165-Y211 VanDerWaalsContact CB-CD2 3.44Å; K165-Y211 HydrophobicContact CB-CE1 4.27Å; K165-Y211 HydrophobicContact CB-CE2 3.53Å; K165-Y211 HydrophobicContact CB-CG 3.8Å | ||
| 166 | A | 90.6 | Very high | 83 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L111 A112 N168 V169 V395 | L111-A166 PolarHBondContact N-O 3.07Å; A112-A166 HydrophobicContact CB-CB 4.12Å; A166-N168 VanDerWaalsContact C-N 3.34Å; A166-V169 PolarHBondContact O-N 3.06Å; A166-V395 HydrophobicContact CB-CG1 4.38Å |
| 167 | E | 88 | Confident | 85.1 | Confident | 41 Ų | 41 | 13.5 Ų | 13.5 | 19% | 0.192 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.3 | 174.4 | -62 | 163.8 | -159.4 | 0 | 0 | 113.5 | K165 S205 | K165-E167 HydrophobicContact CD-CB 3.98Å; K165-E167 HydrophobicContact CD-CG 4.48Å; K165-E167 WeakPolarHBondContact CE-OE2 3.35Å; K165-E167 HydrophobicContact CG-CB 4.17Å; K165-E167 IonicContact NZ-OE2 2.72Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.34Å; K165-E167 VanDerWaalsContact O-N 3.11Å; E167-S205 WeakPolarHBondContact OE1-CB 3.26Å; E167-S205 PolarHBondContact OE1-OG 2.92Å |
| 168 | N | 89.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 10.4 Ų | 10.4 | 3% | 0.032 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -7.1 | -179.8 | -73.7 | -3 | 0 | 0 | 0 | 112.6 | H161 D163 K165 A166 A180 | H161-N168 PolarHBondContact CE1-ND2 2.89Å; D163-N168 PolarHBondContact O-ND2 2.85Å; K165-N168 WeakPolarHBondContact CE-ND2 3.41Å; K165-N168 WeakPolarHBondContact CE-OD1 3.12Å; K165-N168 HydrophobicContact CG-CB 3.95Å; K165-N168 PolarHBondContact O-N 2.98Å; A166-N168 VanDerWaalsContact C-N 3.34Å; N168-A180 PolarHBondContact O-N 3.17Å |
| 169 | V | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 97.7 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | S110 L111 L133 K165 A166 V177 L179 V395 | S110-V169 CarbonylContact C-O 3.53Å; S110-V169 WeakPolarHBondContact CA-O 3.36Å; L111-V169 HydrophobicContact CB-CB 4.1Å; L111-V169 HydrophobicContact CB-CG1 4.1Å; L111-V169 HydrophobicContact CD2-CB 4.48Å; L111-V169 HydrophobicContact CD2-CG1 4.21Å; L111-V169 PolarHBondContact N-O 2.68Å; L133-V169 HydrophobicContact CD1-CG1 4.26Å; L133-V169 HydrophobicContact CD1-CG2 3.7Å; L133-V169 HydrophobicContact CD2-CG2 4.17Å; K165-V169 PolarHBondContact O-N 2.81Å; A166-V169 PolarHBondContact O-N 3.06Å; V169-V177 HydrophobicContact CG1-CG1 3.73Å; V169-L179 HydrophobicContact CG2-CD1 4.25Å; V169-V395 HydrophobicContact CG2-CG1 4.33Å |
| 170 | L | 91.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.042 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.5 | -178.7 | -51.3 | -179.6 | 0 | 0 | 0 | 109.9 | L88 I107 L178 A180 | L88-L170 HydrophobicContact CD2-CD1 3.91Å; I107-L170 HydrophobicContact CB-CB 4.18Å; I107-L170 HydrophobicContact CB-CD1 4.09Å; I107-L170 HydrophobicContact CG1-CD1 4.11Å; I107-L170 HydrophobicContact CG2-CB 4.04Å; L170-L178 HydrophobicContact CB-CB 4.36Å; L170-L178 PolarHBondContact N-O 3.2Å; L170-L178 PolarHBondContact O-N 2.83Å; L170-A180 HydrophobicContact CD1-CB 3.51Å; L170-A180 HydrophobicContact CG-CB 3.95Å |
| 171 | I | 87.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 8.4 Ų | 8.4 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.1 | -174.1 | -55.9 | -174.5 | 0 | 0 | 0 | 109.6 | Q109 L111 R114 I129 W176 | Q109-I171 PolarHBondContact O-N 3.03Å; L111-I171 HydrophobicContact CB-CD1 3.89Å; L111-I171 HydrophobicContact CB-CG1 4.48Å; L111-I171 HydrophobicContact CD1-CD1 3.78Å; L111-I171 HydrophobicContact CG-CD1 4.38Å; R114-I171 HydrophobicContact CB-CD1 4.23Å; R114-I171 HydrophobicContact CG-CD1 4.32Å; I129-I171 HydrophobicContact CD1-CD1 3.98Å; I129-I171 HydrophobicContact CG1-CD1 4.37Å; I129-I171 HydrophobicContact CG2-CD1 4.42Å; I171-W176 WeakPolarHBondContact CA-O 3.49Å |
| 172 | T | 82.1 | Confident | 87.4 | Confident | 9 Ų | 9 | 8.8 Ų | 8.8 | 6% | 0.055 | 5% | 0.052 | C | C | . | . | trans | -70.5 | 162 | 174.9 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | W174 G175 W176 L178 P541 | T172-W174 PolarHBondContact O-N 3.5Å; T172-W174 PolarHBondContact OG1-N 2.83Å; T172-W174 PolarHBondContact OG1-NE1 3.11Å; T172-G175 PolarHBondContact O-N 2.89Å; T172-W176 HydrophobicContact CG2-CB 3.83Å; T172-W176 PolarHBondContact N-O 3.36Å; T172-W176 VanDerWaalsContact OG1-CB 3.29Å; T172-W176 WeakPolarHBondContact OG1-CB 3.44Å; T172-W176 PolarHBondContact OG1-N 2.94Å; T172-L178 HydrophobicContact CG2-CD1 4.32Å; T172-P541 HydrophobicContact CG2-CG 3.86Å | ||
| 173 | S | 76.1 | Confident | 87.2 | Confident | 37 Ų | 37 | 8.9 Ų | 8.9 | 26% | 0.259 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -17.3 | 175.3 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | S527 T538 | S173-S527 VanDerWaalsContact C-CB 3.45Å; S173-S527 WeakPolarHBondContact O-CB 3.48Å; S173-T538 PolarHBondContact OG-O 3.4Å |
| 174 | W | 79.2 | Confident | 86.5 | Confident | 3 Ų | 3 | 9.8 Ų | 9.8 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 4.6 | 178.6 | 56.9 | -85 | 0 | 0 | 0 | 115.2 | T172 W176 L477 F480 L481 L524 | T172-W174 PolarHBondContact O-N 3.5Å; T172-W174 PolarHBondContact OG1-N 2.83Å; T172-W174 PolarHBondContact OG1-NE1 3.11Å; W174-W176 HydrophobicContact CD2-CB 4.09Å; W174-W176 HydrophobicContact CE3-CB 4.1Å; W174-W176 HydrophobicContact CH2-CB 3.72Å; W174-W176 AromaticContact CH2-CD2 3.64Å; W174-W176 HydrophobicContact CH2-CD2 3.64Å; W174-W176 AromaticContact CH2-CE3 3.37Å; W174-W176 HydrophobicContact CH2-CE3 3.37Å; W174-W176 AromaticContact CH2-CG 3.84Å; W174-W176 HydrophobicContact CH2-CG 3.84Å; W174-W176 HydrophobicContact CH2-CZ3 4.16Å; W174-W176 HydrophobicContact CZ2-CB 3.68Å; W174-W176 HydrophobicContact CZ2-CD2 4.24Å; W174-W176 HydrophobicContact CZ2-CE3 4.37Å; W174-W176 AromaticContact CZ2-CG 3.99Å; W174-W176 HydrophobicContact CZ2-CG 3.99Å; W174-W176 HydrophobicContact CZ3-CB 3.91Å; W174-W176 HydrophobicContact CZ3-CD2 4.13Å; W174-W176 AromaticContact CZ3-CE3 3.51Å; W174-W176 HydrophobicContact CZ3-CE3 3.51Å; W174-W176 HydrophobicContact CZ3-CG 4.35Å; W174-W176 HydrophobicContact CZ3-CZ3 4.32Å; W174-L477 HydrophobicContact CE3-CD2 4.46Å; W174-L477 HydrophobicContact CH2-CB 4.29Å; W174-L477 HydrophobicContact CZ3-CB 3.98Å; W174-L477 HydrophobicContact CZ3-CD1 4.15Å; W174-L477 HydrophobicContact CZ3-CD2 3.91Å; W174-L477 HydrophobicContact CZ3-CG 4.23Å; W174-F480 HydrophobicContact CH2-CB 4.44Å; W174-F480 HydrophobicContact CZ2-CB 4.34Å; W174-L481 HydrophobicContact CZ2-CD2 4.16Å; W174-L524 HydrophobicContact CB-CB 4.09Å; W174-L524 HydrophobicContact CB-CD1 3.71Å; W174-L524 HydrophobicContact CD2-CD1 3.87Å; W174-L524 HydrophobicContact CE3-CD1 4.24Å; W174-L524 HydrophobicContact CG-CD1 3.67Å |
| 175 | G | 84.1 | Confident | 85.6 | Confident | 14 Ų | 14 | 12.6 Ų | 12.6 | 14% | 0.144 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 89.1 | 22.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W128 Q132 T172 | W128-G175 PolarHBondContact NE1-O 3.36Å; Q132-G175 PolarHBondContact NE2-O 3.39Å; T172-G175 PolarHBondContact O-N 2.89Å |
| 176 | W | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -81.8 | 136.5 | 167.2 | -165.7 | -99.7 | 0 | 0 | 0 | 110.3 | Y85 N86 W128 Q132 I171 T172 W174 T474 L477 Q478 L481 | Y85-W176 HydrophobicContact CD2-CH2 4.25Å; Y85-W176 AromaticContact CD2-CZ2 3.71Å; Y85-W176 HydrophobicContact CD2-CZ2 3.71Å; Y85-W176 HydrophobicContact CG-CZ2 4.49Å; Y85-W176 PolarHBondContact O-NE1 3.44Å; N86-W176 PolarHBondContact ND2-NE1 3.11Å; W128-W176 HydrophobicContact CH2-CZ3 4.32Å; W128-W176 HydrophobicContact CZ2-CE3 4.07Å; W128-W176 AromaticContact CZ2-CZ3 3.86Å; W128-W176 HydrophobicContact CZ2-CZ3 3.86Å; Q132-W176 VanDerWaalsContact OE1-CA 3.29Å; Q132-W176 VanDerWaalsContact OE1-CD2 3.28Å; Q132-W176 VanDerWaalsContact OE1-CE3 3.25Å; I171-W176 WeakPolarHBondContact CA-O 3.49Å; T172-W176 HydrophobicContact CG2-CB 3.83Å; T172-W176 PolarHBondContact N-O 3.36Å; T172-W176 VanDerWaalsContact OG1-CB 3.29Å; T172-W176 WeakPolarHBondContact OG1-CB 3.44Å; T172-W176 PolarHBondContact OG1-N 2.94Å; W174-W176 HydrophobicContact CD2-CB 4.09Å; W174-W176 HydrophobicContact CE3-CB 4.1Å; W174-W176 HydrophobicContact CH2-CB 3.72Å; W174-W176 AromaticContact CH2-CD2 3.64Å; W174-W176 HydrophobicContact CH2-CD2 3.64Å; W174-W176 AromaticContact CH2-CE3 3.37Å; W174-W176 HydrophobicContact CH2-CE3 3.37Å; W174-W176 AromaticContact CH2-CG 3.84Å; W174-W176 HydrophobicContact CH2-CG 3.84Å; W174-W176 HydrophobicContact CH2-CZ3 4.16Å; W174-W176 HydrophobicContact CZ2-CB 3.68Å; W174-W176 HydrophobicContact CZ2-CD2 4.24Å; W174-W176 HydrophobicContact CZ2-CE3 4.37Å; W174-W176 AromaticContact CZ2-CG 3.99Å; W174-W176 HydrophobicContact CZ2-CG 3.99Å; W174-W176 HydrophobicContact CZ3-CB 3.91Å; W174-W176 HydrophobicContact CZ3-CD2 4.13Å; W174-W176 AromaticContact CZ3-CE3 3.51Å; W174-W176 HydrophobicContact CZ3-CE3 3.51Å; W174-W176 HydrophobicContact CZ3-CG 4.35Å; W174-W176 HydrophobicContact CZ3-CZ3 4.32Å; W176-T474 HydrophobicContact CH2-CG2 4.4Å; W176-L477 HydrophobicContact CE3-CB 4.38Å; W176-L477 HydrophobicContact CZ3-CB 3.82Å; W176-Q478 HydrophobicContact CH2-CG 3.85Å; W176-Q478 HydrophobicContact CZ2-CG 4.33Å; W176-L481 HydrophobicContact CD2-CD2 4.47Å; W176-L481 HydrophobicContact CG-CD2 4.43Å; W176-L481 HydrophobicContact CZ2-CD1 3.68Å; W176-L481 HydrophobicContact CZ2-CG 4.42Å | ||
| 177 | V | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.4 | -176.8 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | N86 I129 Q132 V169 | N86-V177 WeakPolarHBondContact CA-O 3.16Å; N86-V177 WeakPolarHBondContact CB-O 3.41Å; N86-V177 PolarHBondContact ND2-O 3.19Å; I129-V177 HydrophobicContact CB-CG2 4.21Å; I129-V177 HydrophobicContact CG1-CG2 4.18Å; I129-V177 HydrophobicContact CG2-CG2 3.95Å; Q132-V177 HydrophobicContact CB-CB 3.76Å; Q132-V177 HydrophobicContact CB-CG2 3.92Å; V169-V177 HydrophobicContact CG1-CG1 3.73Å |
| 178 | L | 89.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 116.2 | 174.2 | -56.9 | 169.5 | 0 | 0 | 0 | 109 | N86 L88 I107 L170 T172 P541 T543 | N86-L178 CarbonylContact O-C 3.56Å; N86-L178 WeakPolarHBondContact O-CA 3.23Å; L88-L178 HydrophobicContact CB-CB 4.37Å; I107-L178 HydrophobicContact CD1-CD1 3.87Å; I107-L178 HydrophobicContact CG1-CD1 4.06Å; L170-L178 HydrophobicContact CB-CB 4.36Å; L170-L178 PolarHBondContact N-O 3.2Å; L170-L178 PolarHBondContact O-N 2.83Å; T172-L178 HydrophobicContact CG2-CD1 4.32Å; L178-P541 HydrophobicContact CD1-CB 3.53Å; L178-P541 HydrophobicContact CD1-CG 3.83Å; L178-P541 HydrophobicContact CD2-CB 4.44Å; L178-P541 HydrophobicContact CD2-CG 4.21Å; L178-T543 HydrophobicContact CD2-CG2 3.71Å |
| 179 | L | 91.5 | Very high | 84.1 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.3 | 168.2 | -177.5 | 63.3 | 0 | 0 | 0 | 108.7 | N86 L87 L88 A136 V137 I164 V169 | N86-L179 PolarHBondContact O-N 2.96Å; L87-L179 HydrophobicContact CD2-CB 3.99Å; L87-L179 HydrophobicContact CD2-CD2 4.32Å; L88-L179 PolarHBondContact N-O 3.25Å; A136-L179 HydrophobicContact CB-CB 4.07Å; V137-L179 HydrophobicContact CG2-CD2 3.73Å; I164-L179 HydrophobicContact CD1-CD2 4.01Å; I164-L179 HydrophobicContact CG1-CD1 4.34Å; I164-L179 HydrophobicContact CG1-CD2 4.43Å; I164-L179 HydrophobicContact CG2-CD1 4.15Å; V169-L179 HydrophobicContact CG2-CD1 4.25Å |
| 180 | A | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -126 | 171.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L88 H161 N168 L170 | L88-A180 HydrophobicContact CB-CB 4.01Å; L88-A180 HydrophobicContact CD2-CB 3.99Å; L88-A180 HydrophobicContact CG-CB 4.47Å; H161-A180 PolarHBondContact CE1-O 3.33Å; H161-A180 PolarHBondContact NE2-O 3.19Å; N168-A180 PolarHBondContact O-N 3.17Å; L170-A180 HydrophobicContact CD1-CB 3.51Å; L170-A180 HydrophobicContact CG-CB 3.95Å | ||
| 181 | D | 83.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 19 Ų | 19 | 6% | 0.064 | 10% | 0.103 | C | C | . | . | trans | 57.5 | 52.7 | 172.3 | -60.7 | -42.5 | 0 | 0 | 0 | 116 | K56 F90 R104 H161 | K56-D181 VanDerWaalsContact CE-CG 3.41Å; K56-D181 WeakPolarHBondContact CE-OD1 3.39Å; K56-D181 VanDerWaalsContact CE-OD2 3.32Å; K56-D181 WeakPolarHBondContact CE-OD2 3.49Å; K56-D181 IonicContact NZ-OD1 2.74Å; K56-D181 PolarHBondContact NZ-OD1 3.17Å; K56-D181 VanDerWaalsContact NZ-OD1 3.11Å; K56-D181 IonicContact NZ-OD2 3.01Å; K56-D181 PolarHBondContact NZ-OD2 3.12Å; F90-D181 WeakPolarHBondContact CZ-OD1 3.32Å; R104-D181 IonicContact CZ-OD1 3.66Å; R104-D181 IonicContact CZ-OD2 3.53Å; R104-D181 IonicContact NE-OD1 2.78Å; R104-D181 PolarHBondContact NE-OD1 3.5Å; R104-D181 IonicContact NE-OD2 3.42Å; R104-D181 PolarHBondContact NE-OD2 2.9Å; R104-D181 IonicContact NH2-OD1 3.64Å; R104-D181 IonicContact NH2-OD2 2.77Å; R104-D181 PolarHBondContact NH2-OD2 2.86Å; H161-D181 PolarHBondContact CE1-O 3.16Å | ||
| 182 | P | 84.7 | Confident | 83.1 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.071 | 11% | 0.111 | C | C | . | . | trans | -60.7 | 143.1 | 178.8 | 27.8 | -37 | 0 | 0 | 0 | 113.4 | Y77 F90 | Y77-P182 HydrophobicContact CD1-CB 4.18Å; Y77-P182 HydrophobicContact CD1-CG 4.1Å; Y77-P182 HydrophobicContact CE1-CB 3.2Å; Y77-P182 HydrophobicContact CE1-CG 3.5Å; Y77-P182 VanDerWaalsContact CE1-CG 3.5Å; Y77-P182 WeakPolarHBondContact OH-CB 3.42Å; F90-P182 HydrophobicContact CE2-CG 4.09Å | ||
| 183 | A | 79.4 | Confident | 83 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | trans | -132.8 | 44.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | H161 D163 F185 K186 | H161-A183 CarbonylContact O-C 3.49Å; H161-A183 WeakPolarHBondContact O-CA 3.48Å; H161-A183 PolarHBondContact O-N 2.88Å; D163-A183 HydrophobicContact CB-CB 3.68Å; A183-F185 HydrophobicContact CB-CD1 4.43Å; A183-F185 HydrophobicContact CB-CE1 3.96Å; A183-F185 HydrophobicContact CB-CZ 4.4Å; A183-F185 PolarHBondContact O-N 3.31Å; A183-K186 HydrophobicContact CB-CD 3.77Å; A183-K186 HydrophobicContact CB-CG 4.06Å; A183-K186 PolarHBondContact O-N 3.06Å; A183-K186 VanDerWaalsContact O-N 3.16Å | ||
| 184 | P | 74.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 26.2 Ų | 26.2 | 21% | 0.208 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 4 | 179.8 | 34.2 | -41.1 | 0 | 0 | 0 | 114.9 | I73 M74 Y77 L383 | I73-P184 HydrophobicContact CG2-CG 4.12Å; M74-P184 HydrophobicContact CE-CG 3.36Å; Y77-P184 HydrophobicContact CD2-CB 4.49Å; Y77-P184 HydrophobicContact CD2-CG 3.79Å; Y77-P184 HydrophobicContact CE2-CB 4.2Å; Y77-P184 HydrophobicContact CE2-CG 3.73Å; Y77-P184 HydrophobicContact CG-CG 4.48Å; P184-L383 HydrophobicContact CB-CD1 4.37Å |
| 185 | F | 71.9 | Confident | 83.4 | Confident | 60 Ų | 60 | 29.2 Ų | 29.2 | 26% | 0.263 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -8.1 | 178.7 | 63.6 | -85.8 | 0 | 0 | 0 | 113.3 | L36 F37 Y70 A183 | L36-F185 HydrophobicContact CD2-CE2 3.93Å; F37-F185 AromaticContact CE2-CE2 3.62Å; F37-F185 HydrophobicContact CE2-CE2 3.62Å; F37-F185 AromaticContact CE2-CZ 3.5Å; F37-F185 HydrophobicContact CE2-CZ 3.5Å; F37-F185 AromaticContact CZ-CE2 3.74Å; F37-F185 HydrophobicContact CZ-CE2 3.74Å; F37-F185 AromaticContact CZ-CZ 3.59Å; F37-F185 HydrophobicContact CZ-CZ 3.59Å; Y70-F185 HydrophobicContact CD2-CB 3.68Å; Y70-F185 HydrophobicContact CD2-CD1 4.02Å; Y70-F185 HydrophobicContact CD2-CD2 4.47Å; Y70-F185 AromaticContact CD2-CG 3.81Å; Y70-F185 HydrophobicContact CD2-CG 3.81Å; Y70-F185 HydrophobicContact CE2-CB 3.79Å; Y70-F185 AromaticContact CE2-CD1 3.21Å; Y70-F185 HydrophobicContact CE2-CD1 3.21Å; Y70-F185 HydrophobicContact CE2-CD2 4.24Å; Y70-F185 AromaticContact CE2-CE1 3.71Å; Y70-F185 HydrophobicContact CE2-CE1 3.71Å; Y70-F185 AromaticContact CE2-CG 3.48Å; Y70-F185 HydrophobicContact CE2-CG 3.48Å; Y70-F185 VanDerWaalsContact CE2-CG 3.48Å; Y70-F185 HydrophobicContact CE2-CZ 4.43Å; Y70-F185 AromaticContact CZ-CD1 3.96Å; Y70-F185 AromaticContact CZ-CE1 3.97Å; A183-F185 HydrophobicContact CB-CD1 4.43Å; A183-F185 HydrophobicContact CB-CE1 3.96Å; A183-F185 HydrophobicContact CB-CZ 4.4Å; A183-F185 PolarHBondContact O-N 3.31Å |
| 186 | K | 80.8 | Confident | 83.2 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.8 | 150.5 | 171.4 | -65.6 | -178.3 | 178.9 | -171.4 | 0 | 109.5 | D163 A183 V188 F201 F202 | D163-K186 HydrophobicContact CB-CD 4.49Å; D163-K186 VanDerWaalsContact CG-NZ 3.28Å; D163-K186 IonicContact OD1-NZ 2.66Å; D163-K186 IonicContact OD2-NZ 3.65Å; D163-K186 PolarHBondContact OD2-NZ 3.3Å; A183-K186 HydrophobicContact CB-CD 3.77Å; A183-K186 HydrophobicContact CB-CG 4.06Å; A183-K186 PolarHBondContact O-N 3.06Å; A183-K186 VanDerWaalsContact O-N 3.16Å; K186-V188 PolarHBondContact O-N 2.91Å; K186-F201 WeakPolarHBondContact CD-O 3.46Å; K186-F201 WeakPolarHBondContact CE-O 3.3Å; K186-F201 PolarHBondContact NZ-O 3.16Å; K186-F202 HydrophobicContact CB-CE1 4.08Å; K186-F202 HydrophobicContact CB-CE2 4.33Å; K186-F202 HydrophobicContact CB-CZ 3.57Å; K186-F202 HydrophobicContact CD-CD1 3.98Å; K186-F202 HydrophobicContact CD-CE1 3.45Å; K186-F202 VanDerWaalsContact CD-CE1 3.45Å; K186-F202 HydrophobicContact CD-CZ 3.76Å; K186-F202 HydrophobicContact CG-CE1 4.41Å; K186-F202 HydrophobicContact CG-CZ 4.28Å |
| 187 | P | 79.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 35.1 Ų | 35.1 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | trans | -58.1 | 132.9 | -179.7 | 24.4 | -34.4 | 0 | 0 | 0 | 111.4 | L190 F201 F202 R216 | P187-L190 HydrophobicContact CG-CD2 4.13Å; P187-F201 HydrophobicContact CG-CD1 4.48Å; P187-F201 HydrophobicContact CG-CD2 3.68Å; P187-F201 HydrophobicContact CG-CE2 3.9Å; P187-F201 HydrophobicContact CG-CG 4.01Å; P187-F201 HydrophobicContact CG-CZ 4.4Å; P187-F202 HydrophobicContact CG-CE2 4.5Å; P187-R216 PolarHBondContact O-NH2 3.44Å | ||
| 188 | V | 83.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 16% | 0.158 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66 | -54 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | K186 R216 L383 | K186-V188 PolarHBondContact O-N 2.91Å; V188-R216 PolarHBondContact O-NE 2.9Å; V188-R216 PolarHBondContact O-NH2 2.74Å; V188-L383 HydrophobicContact CG1-CD2 4.2Å; V188-L383 HydrophobicContact CG2-CG 4.22Å |
| 189 | W | 85.7 | Confident | 82.1 | Confident | 107 Ų | 107 | 37 Ų | 37 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -92.2 | 148.6 | 178.2 | -49.5 | 112.8 | 0 | 0 | 0 | 111.1 | E215 R216 V218 M387 | W189-E215 WeakPolarHBondContact CZ3-O 3.21Å; W189-R216 CarbonylContact C-O 3.6Å; W189-R216 WeakPolarHBondContact CA-O 3.41Å; W189-V218 HydrophobicContact CB-CG2 4.07Å; W189-V218 HydrophobicContact CD2-CG2 4.22Å; W189-V218 HydrophobicContact CE3-CG2 3.77Å; W189-V218 HydrophobicContact CG-CG2 4.37Å; W189-M387 HydrophobicContact CH2-CE 4.47Å |
| 190 | L | 85.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.3 | 178 | -71.4 | 171.4 | 0 | 0 | 0 | 110.6 | P187 S192 E197 F198 F202 L212 R216 F217 V218 | P187-L190 HydrophobicContact CG-CD2 4.13Å; L190-S192 PolarHBondContact O-N 3.44Å; L190-E197 HydrophobicContact CD2-CB 3.72Å; L190-F198 HydrophobicContact CD1-CB 4.31Å; L190-F198 HydrophobicContact CD1-CD2 4.29Å; L190-F202 HydrophobicContact CD1-CD2 3.92Å; L190-F202 HydrophobicContact CD1-CE2 3.87Å; L190-F202 HydrophobicContact CD2-CD2 4.46Å; L190-F202 HydrophobicContact CD2-CE2 4.11Å; L190-F202 HydrophobicContact CG-CE2 4.35Å; L190-L212 HydrophobicContact CD1-CD1 3.66Å; L190-R216 PolarHBondContact N-O 3.17Å; L190-F217 HydrophobicContact CB-CD1 3.98Å; L190-F217 HydrophobicContact CB-CE1 4.1Å; L190-F217 HydrophobicContact CD1-CE1 3.91Å; L190-F217 HydrophobicContact CD1-CZ 4.06Å; L190-F217 CarbonylContact O-C 3.52Å; L190-F217 WeakPolarHBondContact O-CA 3.37Å; L190-V218 PolarHBondContact O-N 2.66Å |
| 191 | P | 83.8 | Confident | 80.8 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 129.1 | 171.4 | 25 | -32.8 | 0 | 0 | 0 | 111.3 | D193 N194 E197 V218 V220 | P191-D193 WeakPolarHBondContact CB-OD1 3.32Å; P191-N194 HydrophobicContact CB-CB 4.05Å; P191-N194 HydrophobicContact CG-CB 4Å; P191-E197 VanDerWaalsContact CD-OE2 3.26Å; P191-E197 WeakPolarHBondContact CD-OE2 3.44Å; P191-E197 HydrophobicContact CG-CB 4.39Å; P191-E197 HydrophobicContact CG-CG 4.19Å; P191-V218 WeakPolarHBondContact CA-O 3.47Å; P191-V220 HydrophobicContact CB-CG2 3.73Å |
| 192 | S | 80.2 | Confident | 80.7 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -79.8 | -20.5 | 177.4 | 59 | 0 | 0 | 0 | 0 | 113.9 | L190 V218 E219 | L190-S192 PolarHBondContact O-N 3.44Å; S192-V218 PolarHBondContact N-O 3.23Å; S192-V218 PolarHBondContact OG-O 3.37Å; S192-E219 WeakPolarHBondContact OG-CA 3.33Å; S192-E219 VanDerWaalsContact OG-CG 3.31Å; S192-E219 WeakPolarHBondContact OG-CG 3.23Å |
| 193 | D | 80.9 | Confident | 80.4 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -84.1 | -31.2 | 176.5 | 61.3 | -59.5 | 0 | 0 | 0 | 112.5 | P191 P195 | P191-D193 WeakPolarHBondContact CB-OD1 3.32Å; D193-P195 WeakPolarHBondContact O-CD 3.2Å |
| 194 | N | 80 | Confident | 79.7 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | trans | -115.5 | 97.1 | -174.5 | -178.9 | 2.3 | 0 | 0 | 0 | 112.7 | P191 S196 | P191-N194 HydrophobicContact CB-CB 4.05Å; P191-N194 HydrophobicContact CG-CB 4Å; N194-S196 VanDerWaalsContact CG-OG 3.24Å; N194-S196 PolarHBondContact ND2-OG 2.93Å; N194-S196 PolarHBondContact O-N 3.45Å; N194-S196 WeakPolarHBondContact OD1-CB 3.2Å; N194-S196 PolarHBondContact OD1-N 3.49Å; N194-S196 PolarHBondContact OD1-OG 3.3Å | ||
| 195 | P | 82.1 | Confident | 79.1 | Confident | 66 Ų | 66 | 48 Ų | 48 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -2.7 | -179.4 | 30.3 | -37 | 0 | 0 | 0 | 114.3 | D193 E197 F198 T199 L409 | D193-P195 WeakPolarHBondContact O-CD 3.2Å; P195-E197 VanDerWaalsContact C-N 3.33Å; P195-E197 PolarHBondContact O-N 3.34Å; P195-F198 PolarHBondContact O-N 2.93Å; P195-T199 WeakPolarHBondContact O-CB 3.43Å; P195-T199 PolarHBondContact O-N 3.36Å; P195-T199 PolarHBondContact O-OG1 2.7Å; P195-L409 HydrophobicContact CB-CD2 3.89Å |
| 196 | S | 81.5 | Confident | 78.8 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | -176 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | N194 T199 R200 | N194-S196 VanDerWaalsContact CG-OG 3.24Å; N194-S196 PolarHBondContact ND2-OG 2.93Å; N194-S196 PolarHBondContact O-N 3.45Å; N194-S196 WeakPolarHBondContact OD1-CB 3.2Å; N194-S196 PolarHBondContact OD1-N 3.49Å; N194-S196 PolarHBondContact OD1-OG 3.3Å; S196-T199 PolarHBondContact O-N 2.97Å; S196-R200 VanDerWaalsContact O-CB 3.3Å; S196-R200 WeakPolarHBondContact O-CB 3.43Å; S196-R200 PolarHBondContact O-N 3.31Å |
| 197 | E | 79.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.6 | -46.1 | 177.4 | -64.9 | -164.2 | 174.7 | 0 | 0 | 112.1 | L190 P191 P195 T199 R200 F201 | L190-E197 HydrophobicContact CD2-CB 3.72Å; P191-E197 VanDerWaalsContact CD-OE2 3.26Å; P191-E197 WeakPolarHBondContact CD-OE2 3.44Å; P191-E197 HydrophobicContact CG-CB 4.39Å; P191-E197 HydrophobicContact CG-CG 4.19Å; P195-E197 VanDerWaalsContact C-N 3.33Å; P195-E197 PolarHBondContact O-N 3.34Å; E197-T199 PolarHBondContact O-N 3.35Å; E197-R200 PolarHBondContact O-N 3.24Å; E197-F201 HydrophobicContact CB-CD2 4.36Å; E197-F201 WeakPolarHBondContact O-CD2 3.37Å; E197-F201 PolarHBondContact O-N 3.43Å |
| 198 | F | 84.2 | Confident | 77.9 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.3 | -44.9 | 171.2 | 172.8 | -97.8 | 0 | 0 | 0 | 111.1 | L190 P195 R200 F202 D203 C210 L212 F217 L409 | L190-F198 HydrophobicContact CD1-CB 4.31Å; L190-F198 HydrophobicContact CD1-CD2 4.29Å; P195-F198 PolarHBondContact O-N 2.93Å; F198-R200 VanDerWaalsContact C-N 3.31Å; F198-R200 PolarHBondContact O-N 3.05Å; F198-F202 HydrophobicContact CD2-CB 3.85Å; F198-F202 HydrophobicContact CD2-CD2 4.49Å; F198-F202 HydrophobicContact CD2-CG 4.48Å; F198-F202 HydrophobicContact CE2-CB 3.77Å; F198-F202 WeakPolarHBondContact O-CA 3.41Å; F198-F202 WeakPolarHBondContact O-CB 3.43Å; F198-F202 PolarHBondContact O-N 3.16Å; F198-D203 HydrophobicContact CE1-CB 4.1Å; F198-D203 PolarHBondContact O-N 3.22Å; F198-D203 VanDerWaalsContact O-N 3.1Å; F198-C210 HydrophobicContact CE2-CB 4.3Å; F198-C210 WeakPolarHBondContact CE2-SG 3.37Å; F198-C210 HydrophobicContact CZ-CB 4.05Å; F198-L212 HydrophobicContact CD2-CD1 3.87Å; F198-L212 HydrophobicContact CE2-CD1 3.94Å; F198-L212 HydrophobicContact CE2-CG 4.37Å; F198-F217 HydrophobicContact CD2-CE1 4.43Å; F198-F217 HydrophobicContact CD2-CZ 4.04Å; F198-L409 HydrophobicContact CD1-CD1 4.34Å; F198-L409 HydrophobicContact CD1-CD2 3.78Å; F198-L409 HydrophobicContact CD1-CG 4.44Å; F198-L409 HydrophobicContact CD2-CD1 4.43Å; F198-L409 HydrophobicContact CE1-CB 4.15Å; F198-L409 HydrophobicContact CE1-CD2 4.24Å; F198-L409 HydrophobicContact CG-CD1 4.28Å; F198-L409 HydrophobicContact CG-CD2 4.27Å |
| 199 | T | 82.7 | Confident | 78 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.4 | -21.9 | -178.8 | -41.5 | 0 | 0 | 0 | 0 | 112.8 | R35 P195 S196 E197 D203 | R35-T199 VanDerWaalsContact CD-O 3.25Å; R35-T199 WeakPolarHBondContact CD-O 3.47Å; R35-T199 PolarHBondContact NE-O 3.46Å; R35-T199 VanDerWaalsContact NH2-CG2 3.26Å; P195-T199 WeakPolarHBondContact O-CB 3.43Å; P195-T199 PolarHBondContact O-N 3.36Å; P195-T199 PolarHBondContact O-OG1 2.7Å; S196-T199 PolarHBondContact O-N 2.97Å; E197-T199 PolarHBondContact O-N 3.35Å; T199-D203 HydrophobicContact CG2-CB 4.17Å |
| 200 | R | 75.2 | Confident | 78.1 | Confident | 155 Ų | 155 | 62.6 Ų | 62.6 | 59% | 0.585 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -82.2 | -42.3 | 174.8 | -176.6 | 175.1 | -174.6 | 133.4 | 5.6 | 112.5 | S196 E197 F198 | S196-R200 VanDerWaalsContact O-CB 3.3Å; S196-R200 WeakPolarHBondContact O-CB 3.43Å; S196-R200 PolarHBondContact O-N 3.31Å; E197-R200 PolarHBondContact O-N 3.24Å; F198-R200 VanDerWaalsContact C-N 3.31Å; F198-R200 PolarHBondContact O-N 3.05Å |
| 201 | F | 77.2 | Confident | 78.4 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -101 | -25.4 | -170.3 | -68.6 | -74.9 | 0 | 0 | 0 | 114.3 | L36 K186 P187 E197 | L36-F201 HydrophobicContact CD1-CD1 4.47Å; L36-F201 HydrophobicContact CD1-CE1 4.21Å; L36-F201 HydrophobicContact CD2-CD1 3.95Å; L36-F201 HydrophobicContact CD2-CE1 4.3Å; K186-F201 WeakPolarHBondContact CD-O 3.46Å; K186-F201 WeakPolarHBondContact CE-O 3.3Å; K186-F201 PolarHBondContact NZ-O 3.16Å; P187-F201 HydrophobicContact CG-CD1 4.48Å; P187-F201 HydrophobicContact CG-CD2 3.68Å; P187-F201 HydrophobicContact CG-CE2 3.9Å; P187-F201 HydrophobicContact CG-CG 4.01Å; P187-F201 HydrophobicContact CG-CZ 4.4Å; E197-F201 HydrophobicContact CB-CD2 4.36Å; E197-F201 WeakPolarHBondContact O-CD2 3.37Å; E197-F201 PolarHBondContact O-N 3.43Å |
| 202 | F | 82.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -40.4 | -167.9 | -62.2 | -81.7 | 0 | 0 | 0 | 115 | D163 K186 P187 L190 F198 S204 L212 | D163-F202 HydrophobicContact CB-CE1 4.47Å; D163-F202 WeakPolarHBondContact OD1-CD1 3.36Å; K186-F202 HydrophobicContact CB-CE1 4.08Å; K186-F202 HydrophobicContact CB-CE2 4.33Å; K186-F202 HydrophobicContact CB-CZ 3.57Å; K186-F202 HydrophobicContact CD-CD1 3.98Å; K186-F202 HydrophobicContact CD-CE1 3.45Å; K186-F202 VanDerWaalsContact CD-CE1 3.45Å; K186-F202 HydrophobicContact CD-CZ 3.76Å; K186-F202 HydrophobicContact CG-CE1 4.41Å; K186-F202 HydrophobicContact CG-CZ 4.28Å; P187-F202 HydrophobicContact CG-CE2 4.5Å; L190-F202 HydrophobicContact CD1-CD2 3.92Å; L190-F202 HydrophobicContact CD1-CE2 3.87Å; L190-F202 HydrophobicContact CD2-CD2 4.46Å; L190-F202 HydrophobicContact CD2-CE2 4.11Å; L190-F202 HydrophobicContact CG-CE2 4.35Å; F198-F202 HydrophobicContact CD2-CB 3.85Å; F198-F202 HydrophobicContact CD2-CD2 4.49Å; F198-F202 HydrophobicContact CD2-CG 4.48Å; F198-F202 HydrophobicContact CE2-CB 3.77Å; F198-F202 WeakPolarHBondContact O-CA 3.41Å; F198-F202 WeakPolarHBondContact O-CB 3.43Å; F198-F202 PolarHBondContact O-N 3.16Å; F202-S204 PolarHBondContact O-N 3.02Å; F202-S204 PolarHBondContact O-OG 3.32Å; F202-L212 HydrophobicContact CB-CD1 4.28Å; F202-L212 HydrophobicContact CD1-CD1 3.99Å; F202-L212 HydrophobicContact CD1-CD2 3.74Å; F202-L212 HydrophobicContact CD1-CG 4.35Å; F202-L212 HydrophobicContact CD2-CD1 4Å; F202-L212 HydrophobicContact CE1-CD1 4.32Å; F202-L212 HydrophobicContact CE1-CD2 3.93Å; F202-L212 HydrophobicContact CE2-CD1 4.35Å; F202-L212 HydrophobicContact CG-CD1 3.81Å; F202-L212 HydrophobicContact CG-CD2 4.38Å; F202-L212 HydrophobicContact CZ-CD1 4.5Å |
| 203 | D | 77.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -69.5 | 76.6 | 174.6 | -174.9 | 28.5 | 0 | 0 | 0 | 112.2 | F198 T199 R206 R208 | F198-D203 HydrophobicContact CE1-CB 4.1Å; F198-D203 PolarHBondContact O-N 3.22Å; F198-D203 VanDerWaalsContact O-N 3.1Å; T199-D203 HydrophobicContact CG2-CB 4.17Å; D203-R206 VanDerWaalsContact OD1-CA 3.28Å; D203-R206 WeakPolarHBondContact OD1-CA 3.29Å; D203-R206 PolarHBondContact OD1-N 3.14Å; D203-R208 PolarHBondContact OD1-N 3.25Å | ||
| 204 | S | 64.3 | Low | 79.8 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | trans | -78.5 | -47.2 | -176.8 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | F202 | F202-S204 PolarHBondContact O-N 3.02Å; F202-S204 PolarHBondContact O-OG 3.32Å | ||
| 205 | S | 61.8 | Low | 80.2 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -88.4 | 0.5 | -172.6 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | E167 R207 | E167-S205 WeakPolarHBondContact OE1-CB 3.26Å; E167-S205 PolarHBondContact OE1-OG 2.92Å; S205-R207 PolarHBondContact O-N 2.9Å |
| 206 | R | 65.5 | Low | 80.6 | Confident | 210 Ų | 210 | 52.5 Ų | 52.5 | 79% | 0.792 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 61.3 | 6.9 | -177.6 | -46.2 | 178.6 | -173.6 | -174.1 | 2.1 | 114 | D203 R208 | D203-R206 VanDerWaalsContact OD1-CA 3.28Å; D203-R206 WeakPolarHBondContact OD1-CA 3.29Å; D203-R206 PolarHBondContact OD1-N 3.14Å; R206-R208 PolarHBondContact O-N 3.47Å |
| 207 | R | 68.5 | Low | 80.9 | Confident | 140 Ų | 140 | 49.7 Ų | 49.7 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -74.9 | -5.9 | 177 | -63.2 | -179.9 | -176.9 | -176.7 | 3.4 | 112.4 | S205 V209 | S205-R207 PolarHBondContact O-N 2.9Å; R207-V209 HydrophobicContact CB-CG2 3.77Å; R207-V209 PolarHBondContact O-N 3.34Å |
| 208 | R | 73.3 | Confident | 81.1 | Confident | 187 Ų | 187 | 49.2 Ų | 49.2 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | trans | 60.4 | 18.9 | -177.6 | -53.9 | -178.6 | 177.4 | -174.5 | -1.4 | 115 | D203 R206 T408 L409 | D203-R208 PolarHBondContact OD1-N 3.25Å; R206-R208 PolarHBondContact O-N 3.47Å; R208-T408 VanDerWaalsContact O-CA 3.3Å; R208-T408 WeakPolarHBondContact O-CA 3.5Å; R208-T408 WeakPolarHBondContact O-CB 3.38Å; R208-L409 PolarHBondContact O-N 3.43Å | ||
| 209 | V | 84.9 | Confident | 80.7 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -73.9 | 142.8 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | R207 Y211 I405 | R207-V209 HydrophobicContact CB-CG2 3.77Å; R207-V209 PolarHBondContact O-N 3.34Å; V209-Y211 HydrophobicContact CB-CE2 4.02Å; V209-Y211 HydrophobicContact CG1-CD2 3.84Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 3.34Å; V209-I405 HydrophobicContact CB-CG2 4.35Å; V209-I405 HydrophobicContact CG1-CG2 3.65Å; V209-I405 HydrophobicContact CG2-CD1 3.84Å; V209-I405 HydrophobicContact CG2-CG1 4.23Å; V209-I405 HydrophobicContact CG2-CG2 3.92Å |
| 210 | C | 88.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | trans | -125.1 | 108.9 | 175.8 | -158.9 | 0 | 0 | 0 | 0 | 110.2 | F198 F407 L412 | F198-C210 HydrophobicContact CE2-CB 4.3Å; F198-C210 WeakPolarHBondContact CE2-SG 3.37Å; F198-C210 HydrophobicContact CZ-CB 4.05Å; C210-F407 PolarHBondContact N-O 2.89Å; C210-L412 HydrophobicContact CB-CD2 4.27Å; C210-L412 WeakPolarHBondContact SG-CD2 3.34Å | ||
| 211 | Y | 90.6 | Very high | 78.4 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | trans | -91 | -5.3 | 172 | -59.7 | -95 | 0 | 0 | 0 | 112.2 | I164 K165 V209 S391 C394 V395 E398 | I164-Y211 VanDerWaalsContact O-CB 3.27Å; I164-Y211 WeakPolarHBondContact O-CB 3.08Å; K165-Y211 HydrophobicContact CB-CD1 4.19Å; K165-Y211 HydrophobicContact CB-CD2 3.44Å; K165-Y211 VanDerWaalsContact CB-CD2 3.44Å; K165-Y211 HydrophobicContact CB-CE1 4.27Å; K165-Y211 HydrophobicContact CB-CE2 3.53Å; K165-Y211 HydrophobicContact CB-CG 3.8Å; V209-Y211 HydrophobicContact CB-CE2 4.02Å; V209-Y211 HydrophobicContact CG1-CD2 3.84Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 3.34Å; Y211-S391 VanDerWaalsContact O-CA 3.29Å; Y211-S391 WeakPolarHBondContact O-CA 3.48Å; Y211-S391 WeakPolarHBondContact O-CB 3.38Å; Y211-S391 PolarHBondContact O-OG 3.11Å; Y211-C394 HydrophobicContact CD1-CB 3.66Å; Y211-C394 HydrophobicContact CE1-CB 4.4Å; Y211-C394 HydrophobicContact CG-CB 4.48Å; Y211-V395 HydrophobicContact CD1-CG2 3.77Å; Y211-V395 HydrophobicContact CE1-CG2 3.75Å; Y211-E398 WeakPolarHBondContact CE1-OE2 3.33Å; Y211-E398 PolarHBondContact OH-OE2 3.09Å | ||
| 212 | L | 91.2 | Very high | 76.3 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -70.6 | 144.5 | -172.5 | -59.2 | -173.2 | 0 | 0 | 0 | 112.1 | L190 F198 F202 F217 F390 L412 | L190-L212 HydrophobicContact CD1-CD1 3.66Å; F198-L212 HydrophobicContact CD2-CD1 3.87Å; F198-L212 HydrophobicContact CE2-CD1 3.94Å; F198-L212 HydrophobicContact CE2-CG 4.37Å; F202-L212 HydrophobicContact CB-CD1 4.28Å; F202-L212 HydrophobicContact CD1-CD1 3.99Å; F202-L212 HydrophobicContact CD1-CD2 3.74Å; F202-L212 HydrophobicContact CD1-CG 4.35Å; F202-L212 HydrophobicContact CD2-CD1 4Å; F202-L212 HydrophobicContact CE1-CD1 4.32Å; F202-L212 HydrophobicContact CE1-CD2 3.93Å; F202-L212 HydrophobicContact CE2-CD1 4.35Å; F202-L212 HydrophobicContact CG-CD1 3.81Å; F202-L212 HydrophobicContact CG-CD2 4.38Å; F202-L212 HydrophobicContact CZ-CD1 4.5Å; L212-F217 HydrophobicContact CB-CE2 4.21Å; L212-F217 HydrophobicContact CD1-CE2 4.44Å; L212-F217 HydrophobicContact CD1-CZ 4.2Å; L212-F390 WeakPolarHBondContact O-CE1 3.36Å; L212-L412 WeakPolarHBondContact O-CD2 3.46Å |
| 213 | A | 92.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -63.4 | 139 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E215 R216 M387 F390 | A213-E215 HydrophobicContact CB-CG 4.44Å; A213-E215 WeakPolarHBondContact CB-OE2 3.42Å; A213-E215 PolarHBondContact O-N 2.91Å; A213-R216 WeakPolarHBondContact O-CB 3.47Å; A213-R216 PolarHBondContact O-N 2.67Å; A213-R216 VanDerWaalsContact O-N 3.11Å; A213-M387 HydrophobicContact CB-CB 3.96Å; A213-M387 HydrophobicContact CB-CG 4Å; A213-F390 HydrophobicContact CB-CB 3.93Å; A213-F390 HydrophobicContact CB-CD1 4.17Å; A213-F390 HydrophobicContact CB-CG 4.11Å | ||
| 214 | P | 91 | Very high | 71.4 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.032 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -64.1 | -27.5 | -171.7 | 25.4 | -34.8 | 0 | 0 | 0 | 113.3 | R216 F217 F390 L412 R416 L445 | P214-R216 PolarHBondContact O-N 3.23Å; P214-F217 PolarHBondContact O-N 3.44Å; P214-F390 HydrophobicContact CG-CE2 4.29Å; P214-F390 HydrophobicContact CG-CZ 4.5Å; P214-L412 HydrophobicContact CB-CD1 4.18Å; P214-R416 HydrophobicContact CB-CB 4.24Å; P214-R416 HydrophobicContact CB-CG 4.38Å; P214-L445 HydrophobicContact CG-CD2 4.13Å |
| 215 | E | 89.9 | Confident | 69.7 | Low | 45 Ų | 45 | 74.1 Ų | 74.1 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -65.8 | -18.9 | 176.7 | 64.1 | -92.3 | -153.2 | 0 | 0 | 114 | W189 A213 F217 M387 R450 | W189-E215 WeakPolarHBondContact CZ3-O 3.21Å; A213-E215 HydrophobicContact CB-CG 4.44Å; A213-E215 WeakPolarHBondContact CB-OE2 3.42Å; A213-E215 PolarHBondContact O-N 2.91Å; E215-F217 PolarHBondContact O-N 3.47Å; E215-M387 HydrophobicContact CG-CE 4.02Å; E215-M387 HydrophobicContact CG-CG 4.39Å; E215-R450 IonicContact OE1-CZ 3.31Å; E215-R450 IonicContact OE1-NH1 2.76Å; E215-R450 PolarHBondContact OE1-NH1 2.87Å; E215-R450 IonicContact OE1-NH2 2.77Å; E215-R450 IonicContact OE2-CZ 2.75Å; E215-R450 IonicContact OE2-NH1 3.19Å; E215-R450 PolarHBondContact OE2-NH1 3.33Å; E215-R450 IonicContact OE2-NH2 3.67Å; E215-R450 PolarHBondContact OE2-NH2 3.23Å |
| 216 | R | 88.9 | Confident | 68.1 | Low | 3 Ų | 3 | 77.8 Ų | 77.8 | 1% | 0.011 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -69 | -16.1 | 179.3 | -66.7 | -173.3 | 68.3 | 167.9 | 2.6 | 113.6 | G162 P187 V188 W189 L190 A213 P214 M387 | G162-R216 PolarHBondContact O-NH1 3.36Å; P187-R216 PolarHBondContact O-NH2 3.44Å; V188-R216 PolarHBondContact O-NE 2.9Å; V188-R216 PolarHBondContact O-NH2 2.74Å; W189-R216 CarbonylContact C-O 3.6Å; W189-R216 WeakPolarHBondContact CA-O 3.41Å; L190-R216 PolarHBondContact N-O 3.17Å; A213-R216 WeakPolarHBondContact O-CB 3.47Å; A213-R216 PolarHBondContact O-N 2.67Å; A213-R216 VanDerWaalsContact O-N 3.11Å; P214-R216 PolarHBondContact O-N 3.23Å; R216-M387 HydrophobicContact CG-CE 4.13Å; R216-M387 HydrophobicContact CG-CG 4.32Å; R216-M387 HydrophobicContact CG-SD 3.67Å |
| 217 | F | 88.7 | Confident | 66.4 | Low | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.4 | -179.7 | -66.7 | -87.5 | 0 | 0 | 0 | 110.7 | L190 F198 L212 P214 E215 L409 L412 L413 R416 | L190-F217 HydrophobicContact CB-CD1 3.98Å; L190-F217 HydrophobicContact CB-CE1 4.1Å; L190-F217 HydrophobicContact CD1-CE1 3.91Å; L190-F217 HydrophobicContact CD1-CZ 4.06Å; L190-F217 CarbonylContact O-C 3.52Å; L190-F217 WeakPolarHBondContact O-CA 3.37Å; F198-F217 HydrophobicContact CD2-CE1 4.43Å; F198-F217 HydrophobicContact CD2-CZ 4.04Å; L212-F217 HydrophobicContact CB-CE2 4.21Å; L212-F217 HydrophobicContact CD1-CE2 4.44Å; L212-F217 HydrophobicContact CD1-CZ 4.2Å; P214-F217 PolarHBondContact O-N 3.44Å; E215-F217 PolarHBondContact O-N 3.47Å; F217-L409 HydrophobicContact CE1-CD1 3.63Å; F217-L409 HydrophobicContact CE2-CD1 4.42Å; F217-L409 HydrophobicContact CZ-CD1 3.53Å; F217-L412 HydrophobicContact CD2-CD2 4.26Å; F217-L412 HydrophobicContact CE2-CD2 3.63Å; F217-L412 HydrophobicContact CZ-CD2 4.45Å; F217-L413 HydrophobicContact CB-CD2 4.5Å; F217-L413 HydrophobicContact CG-CD2 4.41Å; F217-R416 PolarHBondContact O-NH1 3.06Å; F217-R416 PolarHBondContact O-NH2 3.46Å |
| 218 | V | 84.1 | Confident | 64.5 | Low | 65 Ų | 65 | 73.1 Ų | 73.1 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.1 | -176.5 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | W189 L190 P191 S192 V220 | W189-V218 HydrophobicContact CB-CG2 4.07Å; W189-V218 HydrophobicContact CD2-CG2 4.22Å; W189-V218 HydrophobicContact CE3-CG2 3.77Å; W189-V218 HydrophobicContact CG-CG2 4.37Å; L190-V218 PolarHBondContact O-N 2.66Å; P191-V218 WeakPolarHBondContact CA-O 3.47Å; S192-V218 PolarHBondContact N-O 3.23Å; S192-V218 PolarHBondContact OG-O 3.37Å; V218-V220 PolarHBondContact O-N 3.27Å |
| 219 | E | 75 | Confident | 62.4 | Low | 122 Ų | 122 | 69 Ų | 69 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | trans | -75.6 | 113.3 | 172.9 | -71.8 | -178.2 | -178.2 | 0 | 0 | 109.2 | S192 H221 | S192-E219 WeakPolarHBondContact OG-CA 3.33Å; S192-E219 VanDerWaalsContact OG-CG 3.31Å; S192-E219 WeakPolarHBondContact OG-CG 3.23Å; E219-H221 PolarHBondContact O-N 3.15Å; E219-H221 IonicContact OE2-CE1 3.83Å | ||
| 220 | V | 60.6 | Low | 60 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | trans | -74.4 | 92.7 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | P191 V218 S222 | P191-V220 HydrophobicContact CB-CG2 3.73Å; V218-V220 PolarHBondContact O-N 3.27Å; V220-S222 PolarHBondContact O-N 2.88Å | ||
| 221 | H | 49.7 | Very low | 57.2 | Low | 156 Ų | 156 | 80.3 Ų | 80.3 | 72% | 0.722 | 47% | 0.474 | S | S | * | . | trans | -63.9 | 102.3 | 168.7 | -67.6 | -3.7 | 0 | 0 | 0 | 108.7 | E219 C223 | E219-H221 PolarHBondContact O-N 3.15Å; E219-H221 IonicContact OE2-CE1 3.83Å; H221-C223 PolarHBondContact O-N 2.99Å | ||
| 222 | S | 34.2 | Very low | 54.3 | Low | 87 Ų | 87 | 83.2 Ų | 83.2 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | trans | -60.6 | 108.2 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | V220 T224 | V220-S222 PolarHBondContact O-N 2.88Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact O-OG1 2.9Å | ||
| 223 | C | 27.5 | Very low | 51.1 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 91% | 0.905 | 54% | 0.539 | S | S | * | . | trans | -76.8 | 51.6 | 175.5 | -156.4 | 0 | 0 | 0 | 0 | 111.2 | H221 T225 | H221-C223 PolarHBondContact O-N 2.99Å; C223-T225 PolarHBondContact O-N 3.38Å; C223-T225 VanDerWaalsContact O-N 3.09Å | ||
| 224 | T | 29.6 | Very low | 48.1 | Very low | 96 Ų | 96 | 93.1 Ų | 93.1 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | trans | -75.3 | 90.5 | 173.4 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | S222 T226 | S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact O-OG1 2.9Å; T224-T226 PolarHBondContact O-N 3.4Å; T224-T226 PolarHBondContact O-OG1 3.47Å | ||
| 225 | T | 27.6 | Very low | 45.1 | Very low | 129 Ų | 129 | 97.9 Ų | 97.9 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | trans | 47 | 46.3 | 142.6 | -29.4 | 0 | 0 | 0 | 0 | 116.9 | C223 T227 | C223-T225 PolarHBondContact O-N 3.38Å; C223-T225 VanDerWaalsContact O-N 3.09Å; T225-T227 PolarHBondContact O-N 3.47Å | ||
| 226 | T | 28.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 101.5 Ų | 101.5 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -96.2 | 81.6 | 168.4 | -40.6 | 0 | 0 | 0 | 0 | 110 | T224 V228 | T224-T226 PolarHBondContact O-N 3.4Å; T224-T226 PolarHBondContact O-OG1 3.47Å; T226-V228 VanDerWaalsContact C-N 3.29Å; T226-V228 HydrophobicContact CG2-CG2 3.74Å; T226-V228 PolarHBondContact O-N 2.91Å | ||
| 227 | T | 29.1 | Very low | 39.7 | Very low | 114 Ų | 114 | 106.9 Ų | 106.9 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | trans | -67.5 | 85.2 | 169.2 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | T225 T229 | T225-T227 PolarHBondContact O-N 3.47Å; T227-T229 PolarHBondContact O-N 2.98Å; T227-T229 VanDerWaalsContact O-N 3.12Å | ||
| 228 | V | 28.9 | Very low | 37.2 | Very low | 137 Ų | 137 | 112 Ų | 112 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | -85 | 61.8 | 166.4 | -167.4 | 0 | 0 | 0 | 0 | 109.2 | T226 | T226-V228 VanDerWaalsContact C-N 3.29Å; T226-V228 HydrophobicContact CG2-CG2 3.74Å; T226-V228 PolarHBondContact O-N 2.91Å | ||
| 229 | T | 30.4 | Very low | 34.7 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | trans | -98.3 | 134.3 | 169.4 | -5.3 | 0 | 0 | 0 | 0 | 108.9 | T227 | T227-T229 PolarHBondContact O-N 2.98Å; T227-T229 VanDerWaalsContact O-N 3.12Å | ||
| 230 | T | 34.2 | Very low | 32.7 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | trans | 51.4 | 111.9 | 160 | 51.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 231 | T | 30.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | -164 | 105.1 | 116.2 | 26.6 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 232 | A | 28.5 | Very low | 30.2 | Very low | 82 Ų | 82 | 113.6 Ų | 113.6 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | 67.8 | 128.2 | 74.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T234 | A232-T234 PolarHBondContact O-N 3.49Š| |||
| 233 | A | 24.7 | Very low | 29.9 | Very low | 96 Ų | 96 | 116 Ų | 116 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -65.2 | 126.9 | 155 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 234 | T | 28.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | 62.8 | 134.2 | -175.3 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | A232 | A232-T234 PolarHBondContact O-N 3.49Š| ||
| 235 | T | 28.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | cis | -160.2 | 151.8 | 9.7 | -3.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 236 | T | 31.3 | Very low | 29.6 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | 57.4 | 141.8 | 151.2 | 51.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 237 | T | 33.8 | Very low | 29.7 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | cis | -170.3 | 161.4 | -13.7 | 14.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 238 | T | 36.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 54.5 | 113.7 | 155.1 | 51.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 239 | T | 31 | Very low | 29.5 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | 64 | 147.9 | 66.8 | 67.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 240 | P | 33.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | cis | -143.1 | -155.6 | -27 | 36.7 | -14.1 | 0 | 0 | 0 | 112.8 | ||||
| 241 | T | 29.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 62 | 123.4 | 151 | 45.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 242 | V | 28.4 | Very low | 28.8 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | 95.1 | 139.7 | 57.8 | 162.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 243 | T | 27.1 | Very low | 28.6 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 67 | 134.8 | 168.8 | 42.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 244 | G | 28 | Very low | 28.7 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 80.1 | 165.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 245 | S | 26.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -175.3 | 150.2 | -22.1 | 39.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 246 | E | 25.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 129.6 Ų | 129.6 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | 50 | 107.4 | 150.1 | -64.2 | 172 | 178.6 | 0 | 0 | 121.4 | ||||
| 247 | A | 29.3 | Very low | 28.2 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -176 | 121.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 248 | T | 27 | Very low | 27.7 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | 64.9 | 107.4 | 47.8 | 72.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 249 | N | 26.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 54.6 | 116.6 | 156.2 | -57.8 | -7.5 | 0 | 0 | 0 | 119.4 | ||||
| 250 | L | 30.5 | Very low | 27.1 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -151.7 | 125.5 | 135.2 | -148.2 | 72.8 | 0 | 0 | 0 | 111.2 | ||||
| 251 | D | 25.9 | Very low | 26.7 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -102.4 | 137.4 | 165.1 | -81 | -58.4 | 0 | 0 | 0 | 109.2 | ||||
| 252 | S | 25.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 69.3 | 156.4 | 159.4 | 75.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 253 | L | 24.2 | Very low | 26.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 84.8 | 155.1 | 163.4 | -63.4 | 167.6 | 0 | 0 | 0 | 120.1 | ||||
| 254 | L | 26.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 70.4 | 116 | -169.6 | -64.8 | 143.8 | 0 | 0 | 0 | 113.6 | ||||
| 255 | E | 24.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | 76.6 | 144.9 | 21.1 | -54.9 | -175.8 | 122.6 | 0 | 0 | 117.1 | ||||
| 256 | D | 26.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 116.8 | 174.1 | -64.6 | -21.6 | 0 | 0 | 0 | 121.1 | ||||
| 257 | V | 27.4 | Very low | 27 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | -153.3 | 146.2 | 95.1 | 165.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 258 | T | 23.9 | Very low | 27 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -121.7 | 173.6 | -170.7 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 259 | I | 26.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 135.3 | 131.1 | 141.5 | -71.4 | 165.9 | 0 | 0 | 0 | 116 | ||||
| 260 | C | 28.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | 56.8 | 136.1 | 162.4 | -72.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 261 | S | 25.5 | Very low | 27.2 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | 112.4 | 162.1 | 15.4 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 262 | E | 29.9 | Very low | 27.2 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | 79 | 103.2 | -170.1 | -54.7 | -174.6 | 171.9 | 0 | 0 | 112.7 | ||||
| 263 | E | 26.6 | Very low | 27.3 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | cis | 66.7 | 94.3 | 32.4 | -151.6 | -160.4 | -79 | 0 | 0 | 114.2 | ||||
| 264 | T | 28 | Very low | 27.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | 176.6 | 123.6 | 112.4 | 30.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 265 | K | 27.1 | Very low | 27.6 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | 40.9 | 135.8 | 126.6 | -72.6 | 168.4 | -177.6 | 151.7 | 0 | 122.3 | |||||
| 266 | N | 27.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 67 | 117.1 | 144.1 | -52.8 | -5.3 | 0 | 0 | 0 | 116.8 | ||||
| 267 | N | 32 | Very low | 27.6 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | -160.6 | 131.5 | 61.5 | -85.3 | -68.8 | 0 | 0 | 0 | 110.2 | |||||
| 268 | V | 28.5 | Very low | 27.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 60% | 0.6 | 71% | 0.714 | S | S | * | * | 68.3 | 99.2 | 76.7 | 175.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 269 | N | 29.3 | Very low | 27.6 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | -168.1 | 124.3 | 110.2 | -88.6 | -55.7 | 0 | 0 | 0 | 107.5 | |||||
| 270 | M | 28.7 | Very low | 27.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | 61.2 | 111.7 | 66.1 | -67.7 | -77.1 | -75.1 | 0 | 0 | 112.6 | V272 | M270-V272 HydrophobicContact CE-CG2 3.66Å; M270-V272 HydrophobicContact SD-CG2 4.26Å | |||
| 271 | L | 29.5 | Very low | 27.6 | Very low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | 177.3 | 149.6 | 100.7 | -83.3 | 161.6 | 0 | 0 | 0 | 110.4 | |||||
| 272 | V | 27 | Very low | 27.5 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 53% | 0.533 | 72% | 0.721 | S | S | . | * | cis | -176.5 | 172 | -33.9 | 110 | 0 | 0 | 0 | 0 | 110.4 | M270 | M270-V272 HydrophobicContact CE-CG2 3.66Å; M270-V272 HydrophobicContact SD-CG2 4.26Å | ||
| 273 | N | 27.4 | Very low | 27.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | trans | 70.8 | 132.2 | 171.1 | -73.2 | -2.2 | 0 | 0 | 0 | 117.2 | ||||
| 274 | E | 26 | Very low | 27.2 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | cis | 77.4 | 107.5 | 37.7 | -60.2 | -174.2 | 162.4 | 0 | 0 | 114.5 | ||||
| 275 | C | 30.7 | Very low | 27 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | -166.6 | 148.6 | 140.6 | -95.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 276 | D | 26.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | cis | -179.4 | 143 | -32.1 | -134.2 | -39.8 | 0 | 0 | 0 | 104.8 | ||||
| 277 | N | 24.7 | Very low | 26.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 6.3 | 122.4 | 146.9 | -72.9 | -69.4 | 0 | 0 | 0 | 120.3 | ||||
| 278 | T | 26.2 | Very low | 26.4 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | 147.3 | 143.6 | 109.9 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 279 | L | 25.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 65 | 138.4 | 149.7 | -67.4 | 160 | 0 | 0 | 0 | 117.6 | ||||
| 280 | I | 28.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | cis | -140.1 | 128.4 | 20.9 | -66.6 | 179 | 0 | 0 | 0 | 112.4 | ||||
| 281 | K | 26 | Very low | 26.2 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 25.8 | 130.4 | 143.5 | -54.6 | 178.9 | 177.9 | 178.4 | 0 | 122.5 | ||||
| 282 | S | 23.5 | Very low | 26 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 30.1 | 135.8 | 132 | 70 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 283 | I | 25.2 | Very low | 26 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | -149.8 | 146.4 | 70.8 | -89.7 | 161.1 | 0 | 0 | 0 | 113.5 | |||||
| 284 | T | 24 | Very low | 25.8 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -65.7 | 170.1 | 173.2 | 45 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 285 | L | 24.7 | Very low | 25.7 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | 117.4 | 105.9 | 153.1 | -67.4 | 163.7 | 0 | 0 | 0 | 116.7 | ||||
| 286 | N | 23.8 | Very low | 25.5 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | 63.8 | 130.4 | 119.1 | -72 | 36.7 | 0 | 0 | 0 | 123.4 | |||||
| 287 | E | 23.9 | Very low | 25.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | 68.4 | 96.7 | 127.6 | -63.3 | 172.3 | 130.1 | 0 | 0 | 120.5 | |||||
| 288 | S | 24.5 | Very low | 25.7 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | 79.8 | 137.4 | 118.4 | 80.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 289 | N | 25.8 | Very low | 25.7 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | 67.7 | 164.4 | 141.4 | -79.9 | -14.8 | 0 | 0 | 0 | 116.7 | ||||
| 290 | P | 33.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | -136.7 | -155.1 | -89.5 | 30.6 | -5.4 | 0 | 0 | 0 | 111.5 | |||||
| 291 | L | 24 | Very low | 26 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | 75.8 | 119.9 | 154.7 | -69.7 | 161.9 | 0 | 0 | 0 | 117.9 | ||||
| 292 | N | 25.2 | Very low | 26 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | 84.3 | 150.5 | 126.7 | -80.6 | -10.4 | 0 | 0 | 0 | 119.8 | |||||
| 293 | K | 25.8 | Very low | 26 | Very low | 157 Ų | 157 | 129 Ų | 129 | 68% | 0.683 | 69% | 0.686 | S | S | * | * | trans | 72.9 | 145.1 | 149.7 | -79.9 | 177.8 | 174 | -66.7 | 0 | 116.2 | ||||
| 294 | E | 23.9 | Very low | 25.9 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 49% | 0.491 | 68% | 0.683 | S | S | . | * | cis | -172.9 | 162.4 | -19.3 | -140.4 | 161.4 | -143.9 | 0 | 0 | 106.4 | ||||
| 295 | Y | 24.7 | Very low | 25.9 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | trans | 63.2 | 166.2 | 162.9 | -58.1 | -46.3 | 0 | 0 | 0 | 115.7 | ||||
| 296 | N | 24.8 | Very low | 25.8 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 68% | 0.684 | 66% | 0.66 | S | S | * | * | cis | -152.5 | -162 | -28 | -105.7 | -23.5 | 0 | 0 | 0 | 105.1 | ||||
| 297 | I | 28.5 | Very low | 25.9 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | trans | 72.9 | 112.8 | 156 | -47 | -175.2 | 0 | 0 | 0 | 114.4 | ||||
| 298 | D | 26.8 | Very low | 25.8 | Very low | 129 Ų | 129 | 121 Ų | 121 | 69% | 0.69 | 64% | 0.64 | S | S | * | * | cis | -158.1 | 173.9 | -10.6 | -134.2 | -60 | 0 | 0 | 0 | 113.6 | G300 | D298-G300 PolarHBondContact O-N 3.08Å; D298-G300 VanDerWaalsContact O-N 3.16Å | ||
| 299 | S | 27.2 | Very low | 25.7 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -15 | 96.7 | 156.9 | 44.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 300 | G | 30.2 | Very low | 25.8 | Very low | 74 Ų | 74 | 117 Ų | 117 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | trans | -107 | 20.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D298 Q302 | D298-G300 PolarHBondContact O-N 3.08Å; D298-G300 VanDerWaalsContact O-N 3.16Å; G300-Q302 PolarHBondContact O-N 2.85Å; G300-Q302 VanDerWaalsContact O-N 3.12Å | ||
| 301 | K | 30.5 | Very low | 25.2 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | trans | -76.9 | 93.6 | -179.4 | -113.1 | -158.8 | 179.2 | -166.9 | 0 | 111 | D573 | K301-D573 VanDerWaalsContact CE-OD1 3.23Å; K301-D573 WeakPolarHBondContact CE-OD1 3.28Å; K301-D573 IonicContact NZ-OD1 2.68Å; K301-D573 PolarHBondContact NZ-OD1 2.92Å; K301-D573 IonicContact NZ-OD2 3.58Å | ||
| 302 | Q | 25.2 | Very low | 25.2 | Very low | 145 Ų | 145 | 109.1 Ų | 109.1 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -160.8 | 151.5 | 139.6 | -98.8 | 129.2 | 26 | 0 | 0 | 108.2 | G300 K574 | G300-Q302 PolarHBondContact O-N 2.85Å; G300-Q302 VanDerWaalsContact O-N 3.12Å; Q302-K574 PolarHBondContact O-NZ 2.74Å | ||
| 303 | Q | 24.1 | Very low | 25.3 | Very low | 101 Ų | 101 | 106.1 Ų | 106.1 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | cis | 67.1 | 43 | 45.6 | -61.8 | 177.3 | -39.2 | 0 | 0 | 112.5 | T305 H570 | Q303-T305 VanDerWaalsContact C-CB 3.46Å; Q303-T305 VanDerWaalsContact CA-OG1 3.23Å; Q303-T305 WeakPolarHBondContact CA-OG1 3.5Å; Q303-T305 VanDerWaalsContact O-CB 3.26Å; Q303-T305 WeakPolarHBondContact O-CB 3.34Å; Q303-T305 PolarHBondContact O-OG1 2.94Å; Q303-H570 PolarHBondContact NE2-O 3.41Å | ||
| 304 | L | 23.3 | Very low | 25.4 | Very low | 143 Ų | 143 | 102.8 Ų | 102.8 | 75% | 0.749 | 56% | 0.557 | S | S | * | * | trans | -100.9 | 103.1 | 134.1 | -65.9 | 167.2 | 0 | 0 | 0 | 105 | I306 | L304-I306 HydrophobicContact CB-CG1 4.33Š| ||
| 305 | T | 23.5 | Very low | 25.6 | Very low | 48 Ų | 48 | 102.4 Ų | 102.4 | 29% | 0.294 | 56% | 0.559 | S | S | . | * | cis | 53.4 | 39.9 | 15.2 | -34.4 | 0 | 0 | 0 | 0 | 112 | Q303 E307 | Q303-T305 VanDerWaalsContact C-CB 3.46Å; Q303-T305 VanDerWaalsContact CA-OG1 3.23Å; Q303-T305 WeakPolarHBondContact CA-OG1 3.5Å; Q303-T305 VanDerWaalsContact O-CB 3.26Å; Q303-T305 WeakPolarHBondContact O-CB 3.34Å; Q303-T305 PolarHBondContact O-OG1 2.94Å; T305-E307 VanDerWaalsContact C-N 3.28Å; T305-E307 HydrophobicContact CG2-CG 4.4Å; T305-E307 PolarHBondContact O-N 3.34Å; T305-E307 VanDerWaalsContact O-N 3.11Å | ||
| 306 | I | 22.1 | Very low | 25.7 | Very low | 130 Ų | 130 | 100 Ų | 100 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | trans | -71.3 | 101.7 | 152.5 | -66 | -177.7 | 0 | 0 | 0 | 105.5 | L304 I308 | L304-I306 HydrophobicContact CB-CG1 4.33Å; I306-I308 PolarHBondContact O-N 3.47Å | ||
| 307 | E | 25.5 | Very low | 25.9 | Very low | 151 Ų | 151 | 100 Ų | 100 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | trans | -58.1 | 104.7 | 165.9 | -61.3 | 177.1 | 123.8 | 0 | 0 | 107.9 | T305 S309 | T305-E307 VanDerWaalsContact C-N 3.28Å; T305-E307 HydrophobicContact CG2-CG 4.4Å; T305-E307 PolarHBondContact O-N 3.34Å; T305-E307 VanDerWaalsContact O-N 3.11Å; E307-S309 PolarHBondContact O-N 3.45Å | ||
| 308 | I | 21.8 | Very low | 26 | Very low | 47 Ų | 47 | 99.3 Ų | 99.3 | 24% | 0.241 | 56% | 0.556 | C | S | . | * | trans | -81.4 | 69.5 | 143.5 | -53.1 | -178.5 | 0 | 0 | 0 | 105.8 | I306 T551 N563 | I306-I308 PolarHBondContact O-N 3.47Å; I308-T551 HydrophobicContact CD1-CG2 4.21Å; I308-N563 PolarHBondContact O-ND2 3.28Å | ||
| 309 | S | 23.4 | Very low | 26.1 | Very low | 68 Ų | 68 | 102.2 Ų | 102.2 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | trans | -60.7 | 164.6 | 145.2 | 61.6 | 0 | 0 | 0 | 0 | 108.2 | E307 L311 | E307-S309 PolarHBondContact O-N 3.45Å; S309-L311 PolarHBondContact O-N 2.96Å | ||
| 310 | D | 27.1 | Very low | 26.2 | Very low | 95 Ų | 95 | 101.8 Ų | 101.8 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | trans | 66 | 42.1 | 169.9 | -56.5 | -64 | 0 | 0 | 0 | 116.5 | S312 R555 | D310-S312 WeakPolarHBondContact CB-OG 3.28Å; D310-S312 PolarHBondContact O-N 3.28Å; D310-S312 VanDerWaalsContact OD1-CB 3.3Å; D310-S312 WeakPolarHBondContact OD1-CB 3.13Å; D310-S312 PolarHBondContact OD1-OG 3.04Å; D310-R555 PolarHBondContact O-N 3.43Å | ||
| 311 | L | 22.2 | Very low | 26 | Very low | 39 Ų | 39 | 107.8 Ų | 107.8 | 20% | 0.204 | 57% | 0.565 | C | S | . | * | -48.6 | 79.6 | 108.8 | -91.3 | 144.9 | 0 | 0 | 0 | 110.2 | S309 I553 V556 N557 T558 D560 | S309-L311 PolarHBondContact O-N 2.96Å; L311-I553 HydrophobicContact CD2-CG2 3.79Å; L311-I553 WeakPolarHBondContact CG-O 3.39Å; L311-V556 WeakPolarHBondContact CB-O 3.47Å; L311-V556 WeakPolarHBondContact CD2-O 3.32Å; L311-V556 CarbonylContact O-C 3.56Å; L311-N557 CarbonylContact O-C 3.04Å; L311-N557 WeakPolarHBondContact O-CA 3.31Å; L311-N557 PolarHBondContact O-N 2.7Å; L311-T558 PolarHBondContact O-N 3.49Å; L311-T558 VanDerWaalsContact O-N 3.13Å; L311-D560 HydrophobicContact CD1-CB 3.61Å | |||
| 312 | S | 23.2 | Very low | 25.8 | Very low | 31 Ų | 31 | 106 Ų | 106 | 22% | 0.217 | 57% | 0.57 | C | S | . | * | trans | -158.1 | 140.4 | 171.6 | 72.2 | 0 | 0 | 0 | 0 | 113 | D310 R555 | D310-S312 WeakPolarHBondContact CB-OG 3.28Å; D310-S312 PolarHBondContact O-N 3.28Å; D310-S312 VanDerWaalsContact OD1-CB 3.3Å; D310-S312 WeakPolarHBondContact OD1-CB 3.13Å; D310-S312 PolarHBondContact OD1-OG 3.04Å; S312-R555 VanDerWaalsContact O-CA 3.32Å; S312-R555 WeakPolarHBondContact O-CA 3.44Å; S312-R555 WeakPolarHBondContact O-CB 3.4Å; S312-R555 WeakPolarHBondContact O-CG 3.4Å | ||
| 313 | S | 27.4 | Very low | 25.7 | Very low | 65 Ų | 65 | 107.5 Ų | 107.5 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | trans | 54.6 | 109.5 | 175.2 | 67 | 0 | 0 | 0 | 0 | 118.2 | R555 | S313-R555 WeakPolarHBondContact O-CB 3.48Å; S313-R555 WeakPolarHBondContact O-CD 3.01Å; S313-R555 WeakPolarHBondContact O-CG 3.24Å | ||
| 314 | S | 28.8 | Very low | 25.7 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | cis | -160 | 129.7 | 32.6 | 29.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 315 | N | 27.1 | Very low | 25.7 | Very low | 98 Ų | 98 | 106.1 Ų | 106.1 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | 61.3 | 118.5 | 79.8 | -68 | -17 | 0 | 0 | 0 | 113.6 | |||||
| 316 | N | 27.4 | Very low | 25.8 | Very low | 128 Ų | 128 | 114 Ų | 114 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | trans | 70.3 | 120.6 | 133.5 | -57.8 | -9.6 | 0 | 0 | 0 | 120 | ||||
| 317 | N | 29.5 | Very low | 25.9 | Very low | 128 Ų | 128 | 115 Ų | 115 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | 63.2 | 105.9 | 123.9 | -52.4 | -10.7 | 0 | 0 | 0 | 119.2 | |||||
| 318 | N | 30.4 | Very low | 25.8 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | 78.3 | 160.9 | 144.9 | -47.6 | -30.1 | 0 | 0 | 0 | 118.1 | ||||
| 319 | F | 27.4 | Very low | 26 | Very low | 189 Ų | 189 | 116.2 Ų | 116.2 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | 69.1 | 87.3 | 165.9 | -64.5 | -74.6 | 0 | 0 | 0 | 120.4 | ||||
| 320 | S | 29.9 | Very low | 26.1 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | 60.5 | 125.5 | 120.3 | 65.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 321 | K | 27 | Very low | 26 | Very low | 200 Ų | 200 | 120.5 Ų | 120.5 | 87% | 0.87 | 67% | 0.668 | S | S | * | * | trans | 74.6 | 155.7 | 142.3 | -76.5 | -175.6 | 172 | -176.6 | 0 | 120.9 | ||||
| 322 | S | 25.1 | Very low | 26 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | 74.1 | 110.4 | 156.3 | 31 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 323 | E | 23.7 | Very low | 26.1 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | 60.8 | 145 | 121.2 | -61.1 | -176.5 | 150.2 | 0 | 0 | 123.7 | |||||
| 324 | S | 24.2 | Very low | 25.9 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | 70.6 | 160.7 | 156.6 | 82 | 0 | 0 | 0 | 0 | 117 | ||||
| 325 | S | 24 | Very low | 25.6 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -166.9 | 162 | -25.4 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 326 | Y | 23.9 | Very low | 25.5 | Very low | 215 Ų | 215 | 135.9 Ų | 135.9 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 8.7 | 167 | 155.3 | -62.8 | -76 | 0 | 0 | 0 | 124.2 | ||||
| 327 | L | 24.6 | Very low | 25.5 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 90.6 | 135.4 | 162.2 | -48.9 | -177.8 | 0 | 0 | 0 | 115.5 | ||||
| 328 | I | 24.1 | Very low | 25.4 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | 116.6 | 130.5 | 13 | -77 | 175.8 | 0 | 0 | 0 | 112.3 | ||||
| 329 | A | 25.8 | Very low | 25.1 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 72.2 | 172.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 330 | N | 24.5 | Very low | 25 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 84.6 | 81 | -178.7 | -53.1 | -14.2 | 0 | 0 | 0 | 114 | ||||
| 331 | S | 25.3 | Very low | 24.9 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | 69.4 | 58.3 | 9.9 | 88.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 332 | S | 23.4 | Very low | 24.8 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -145.8 | 165.7 | 155.5 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 333 | E | 24.4 | Very low | 24.7 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 65.4 | 55.6 | 169.5 | -56.1 | -173.8 | -176.7 | 0 | 0 | 118.3 | ||
| 334 | L | 23.8 | Very low | 25.2 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -156.4 | 59.2 | 140.3 | -119.1 | 167.6 | 0 | 0 | 0 | 114.1 | T336 | L334-T336 WeakPolarHBondContact CD2-O 3.41Å; L334-T336 PolarHBondContact O-N 3.14Å; L334-T336 VanDerWaalsContact O-N 3.11Å | ||
| 335 | S | 21.5 | Very low | 25.1 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | -79.8 | 63.8 | 159.9 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 336 | T | 26 | Very low | 25.1 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | trans | -152.7 | 108.1 | 174.4 | -8.3 | 0 | 0 | 0 | 0 | 112.2 | L334 | L334-T336 WeakPolarHBondContact CD2-O 3.41Å; L334-T336 PolarHBondContact O-N 3.14Å; L334-T336 VanDerWaalsContact O-N 3.11Å | ||
| 337 | Q | 26.7 | Very low | 25.1 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | trans | 39.8 | 105.7 | 144.1 | -59.2 | 172.2 | 5.9 | 0 | 0 | 116.7 | ||||
| 338 | L | 26.9 | Very low | 25.1 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | cis | 58.2 | 57.8 | 16.5 | -135 | -179.4 | 0 | 0 | 0 | 113.8 | ||||
| 339 | S | 24.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | -154.6 | 151.1 | 157.5 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 340 | V | 25.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 125 Ų | 125 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | cis | -151.1 | 121.5 | -31.9 | 141.1 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 341 | T | 27.6 | Very low | 25.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | 59 | 48.4 | 62.8 | 74.2 | 0 | 0 | 0 | 0 | 115.7 | S343 | T341-S343 WeakPolarHBondContact O-CB 3.28Å; T341-S343 PolarHBondContact O-OG 3.02Å | |||
| 342 | S | 25.6 | Very low | 25.5 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -100 | 112.9 | 144.7 | 42 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 343 | S | 22.5 | Very low | 25.6 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | cis | 62.2 | 144.5 | 20.5 | -31.5 | 0 | 0 | 0 | 0 | 114.3 | T341 | T341-S343 WeakPolarHBondContact O-CB 3.28Å; T341-S343 PolarHBondContact O-OG 3.02Å | ||
| 344 | P | 34.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | cis | -123.8 | -134.2 | -40 | 38.4 | -23.6 | 0 | 0 | 0 | 107.9 | ||||
| 345 | S | 21.8 | Very low | 25.9 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | trans | 50.9 | 116.4 | 152.5 | 59.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 346 | L | 23.8 | Very low | 26.3 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | 176.5 | 115.5 | 121.7 | -87.5 | 158 | 0 | 0 | 0 | 104.5 | |||||
| 347 | I | 24.1 | Very low | 26.4 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | 56.2 | 70 | 69.9 | -50.7 | 174.5 | 0 | 0 | 0 | 110.2 | N349 | I347-N349 HydrophobicContact CG2-CB 4.05Å; I347-N349 VanDerWaalsContact CG2-CG 3.47Å; I347-N349 VanDerWaalsContact CG2-OD1 3.23Å; I347-N349 WeakPolarHBondContact CG2-OD1 3.47Å | |||
| 348 | L | 25.7 | Very low | 26.5 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -90.6 | 116.5 | 131.7 | -62.4 | 169.6 | 0 | 0 | 0 | 103.7 | ||||
| 349 | N | 24.1 | Very low | 26.5 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | 49.7 | 57.6 | 27.2 | -76.9 | 27.3 | 0 | 0 | 0 | 111 | I347 | I347-N349 HydrophobicContact CG2-CB 4.05Å; I347-N349 VanDerWaalsContact CG2-CG 3.47Å; I347-N349 VanDerWaalsContact CG2-OD1 3.23Å; I347-N349 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 350 | T | 26.1 | Very low | 26.7 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129 | 142.2 | 47 | 0 | 0 | 0 | 0 | 108.2 | ||
| 351 | E | 30.3 | Very low | 27 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 163.3 | -176.9 | -63.2 | 177.2 | 129.5 | 0 | 0 | 112.4 | ||
| 352 | D | 26.3 | Very low | 27 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 163.3 | -175.1 | -58.8 | -82.8 | 0 | 0 | 0 | 114.7 | ||
| 353 | C | 26.2 | Very low | 27 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 137.4 | 156.8 | -70.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 354 | D | 28.3 | Very low | 27.3 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | cis | -142.6 | 141.2 | -1.1 | -102.4 | -35.6 | 0 | 0 | 0 | 114.9 | ||||
| 355 | I | 27 | Very low | 27.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 68% | 0.677 | 76% | 0.755 | S | S | * | * | trans | -19.7 | 121 | 160.7 | -57 | 159.6 | 0 | 0 | 0 | 115.5 | ||||
| 356 | Q | 29.9 | Very low | 27.4 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | -149.6 | 137.9 | 129.2 | -120.6 | 166 | 68.8 | 0 | 0 | 112 | |||||
| 357 | N | 27.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -92.3 | 135.3 | -163.1 | -54.1 | -47 | 0 | 0 | 0 | 113.1 | ||||
| 358 | S | 28.9 | Very low | 27.8 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | -168.2 | 140.1 | 124.4 | 40.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 359 | T | 27.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -114.9 | 163 | -178.4 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 360 | D | 28.4 | Very low | 28 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 71.7 | 150.1 | 164.3 | -46.2 | -58.3 | 0 | 0 | 0 | 115.8 | ||||
| 361 | E | 30.6 | Very low | 28.2 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -124.4 | 162.2 | 10.1 | -71.1 | -173.7 | 130.7 | 0 | 0 | 114.3 | ||||
| 362 | V | 27.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -102.1 | 81.8 | -175.6 | -176 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 363 | I | 27.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 145 Ų | 145 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -142.7 | 113.2 | 160.3 | -63.6 | 93.2 | 0 | 0 | 0 | 107 | ||||
| 364 | D | 28.4 | Very low | 28.1 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 49% | 0.492 | 74% | 0.742 | S | S | . | * | -162.6 | 19.7 | 93.6 | -162.8 | 30.1 | 0 | 0 | 0 | 115.5 | K366 Q367 | D364-K366 PolarHBondContact O-N 2.72Å; D364-Q367 VanDerWaalsContact OD1-CG 3.26Å; D364-Q367 WeakPolarHBondContact OD1-CG 3.3Å; D364-Q367 PolarHBondContact OD1-NE2 2.82Å | |||
| 365 | L | 29.4 | Very low | 28 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 20.3 | 174.1 | -101.6 | 115.4 | 0 | 0 | 0 | 114.7 | ||
| 366 | K | 29 | Very low | 27.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 1.9 | -176.7 | -73 | 178.9 | 177.6 | 169.5 | 0 | 114.7 | D364 | D364-K366 PolarHBondContact O-N 2.72Š|
| 367 | Q | 28.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -103.2 | -6.6 | -177.8 | -71.3 | -161.3 | 80.1 | 0 | 0 | 116.7 | D364 | D364-Q367 VanDerWaalsContact OD1-CG 3.26Å; D364-Q367 WeakPolarHBondContact OD1-CG 3.3Å; D364-Q367 PolarHBondContact OD1-NE2 2.82Å |
| 368 | R | 28 | Very low | 27.8 | Very low | 255 Ų | 255 | 146.5 Ų | 146.5 | 96% | 0.962 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.8 | 18.6 | 168.7 | -89.5 | -175.9 | 170 | 174.9 | -1.5 | 114.8 | ||
| 369 | T | 28.1 | Very low | 27.9 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 63% | 0.632 | 75% | 0.748 | S | S | * | * | trans | -126.4 | 46 | 179.5 | 38.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 370 | K | 26.1 | Very low | 28.5 | Very low | 146 Ų | 146 | 146 Ų | 146 | 64% | 0.635 | 75% | 0.749 | S | S | * | * | trans | -126.8 | 74 | 179.3 | -79.6 | -175.7 | 172.7 | 176.6 | 0 | 113.2 | ||||
| 371 | F | 29.7 | Very low | 29.8 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -178.7 | 111 | 155.2 | -93 | -67.7 | 0 | 0 | 0 | 107.4 | ||
| 372 | M | 27.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | cis | -127.4 | 139.4 | -32.5 | -66.7 | 175.2 | 168.5 | 0 | 0 | 105.3 | ||||
| 373 | T | 26.1 | Very low | 34.2 | Very low | 95 Ų | 95 | 136 Ų | 136 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | cis | 76.6 | 98.5 | 38 | 70.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 374 | S | 27.3 | Very low | 37.1 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 61.4 | 104.7 | 152.3 | 58 | 0 | 0 | 0 | 0 | 120.9 | L376 | S374-L376 PolarHBondContact O-N 2.67Š|
| 375 | N | 24.9 | Very low | 40 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 51.5 | 56.3 | 131.7 | -56.5 | 14 | 0 | 0 | 0 | 118.6 | ||
| 376 | L | 24.7 | Very low | 42.9 | Very low | 161 Ų | 161 | 123 Ų | 123 | 84% | 0.843 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -170.7 | 147.4 | 149 | -100.5 | 147 | 0 | 0 | 0 | 107.9 | S374 | S374-L376 PolarHBondContact O-N 2.67Š|
| 377 | L | 27.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 92% | 0.921 | 60% | 0.602 | S | S | * | * | trans | 73.3 | 55.6 | -172.1 | -55.6 | 166.5 | 0 | 0 | 0 | 115.5 | ||||
| 378 | D | 27.6 | Very low | 49 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 82% | 0.824 | 57% | 0.573 | S | S | * | * | trans | -68 | 125.1 | 157.4 | -62 | -74.2 | 0 | 0 | 0 | 110.7 | ||||
| 379 | S | 31.5 | Very low | 52.2 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -177.8 | -54.7 | 153.1 | -107.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 380 | D | 40.8 | Very low | 55.4 | Low | 136 Ų | 136 | 91.9 Ų | 91.9 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -101.2 | 8.3 | -151.6 | -61.1 | -42.8 | 0 | 0 | 0 | 116.7 | H382 | D380-H382 PolarHBondContact O-N 3.49Š|
| 381 | C | 54.9 | Low | 58.6 | Low | 99 Ų | 99 | 85.1 Ų | 85.1 | 67% | 0.669 | 47% | 0.468 | S | S | * | . | trans | -94.9 | 36.2 | -173.4 | -88.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 382 | H | 70.1 | Confident | 61.7 | Low | 118 Ų | 118 | 76 Ų | 76 | 55% | 0.546 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -124.4 | 149.4 | -176 | -64.1 | -56.4 | 0 | 0 | 0 | 113.5 | D380 | D380-H382 PolarHBondContact O-N 3.49Š|
| 383 | L | 81.3 | Confident | 64.9 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | trans | -63 | 140.2 | 166 | -72.8 | 165.6 | 0 | 0 | 0 | 109.7 | C160 P184 V188 M387 | C160-L383 HydrophobicContact CB-CB 3.69Å; C160-L383 HydrophobicContact CB-CD1 4.23Å; P184-L383 HydrophobicContact CB-CD1 4.37Å; V188-L383 HydrophobicContact CG1-CD2 4.2Å; V188-L383 HydrophobicContact CG2-CG 4.22Å; L383-M387 HydrophobicContact CD2-SD 3.9Å | ||
| 384 | T | 87.1 | Confident | 68.2 | Low | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -107.8 | 147.2 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | S386 M387 | T384-S386 PolarHBondContact O-N 2.69Å; T384-S386 VanDerWaalsContact O-N 3.1Å; T384-S386 PolarHBondContact OG1-OG 2.83Å; T384-M387 WeakPolarHBondContact O-CB 3.46Å; T384-M387 PolarHBondContact O-N 3.26Å; T384-M387 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 385 | P | 88.5 | Confident | 71.4 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 26% | 0.26 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -49.8 | -34.8 | 174.6 | -35.1 | 40.1 | 0 | 0 | 0 | 114.9 | H141 M387 D388 L389 | H141-P385 PolarHBondContact CE1-O 3.15Å; P385-M387 PolarHBondContact O-N 3.33Å; P385-D388 PolarHBondContact O-N 3.47Å; P385-L389 PolarHBondContact O-N 3.26Å |
| 386 | S | 90.6 | Very high | 74.7 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -25.4 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | T384 F390 R450 | T384-S386 PolarHBondContact O-N 2.69Å; T384-S386 VanDerWaalsContact O-N 3.1Å; T384-S386 PolarHBondContact OG1-OG 2.83Å; S386-F390 PolarHBondContact O-N 3.37Å; S386-R450 WeakPolarHBondContact O-CD 3.46Å; S386-R450 PolarHBondContact O-NH1 2.94Å |
| 387 | M | 92.3 | Very high | 78.1 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.5 | -40 | 177.9 | -63.2 | 176 | -174.1 | 0 | 0 | 111.9 | W189 A213 E215 R216 L383 T384 P385 L389 S391 | W189-M387 HydrophobicContact CH2-CE 4.47Å; A213-M387 HydrophobicContact CB-CB 3.96Å; A213-M387 HydrophobicContact CB-CG 4Å; E215-M387 HydrophobicContact CG-CE 4.02Å; E215-M387 HydrophobicContact CG-CG 4.39Å; R216-M387 HydrophobicContact CG-CE 4.13Å; R216-M387 HydrophobicContact CG-CG 4.32Å; R216-M387 HydrophobicContact CG-SD 3.67Å; L383-M387 HydrophobicContact CD2-SD 3.9Å; T384-M387 WeakPolarHBondContact O-CB 3.46Å; T384-M387 PolarHBondContact O-N 3.26Å; T384-M387 WeakPolarHBondContact OG1-CG 3.33Å; P385-M387 PolarHBondContact O-N 3.33Å; M387-L389 VanDerWaalsContact C-N 3.34Å; M387-S391 PolarHBondContact O-N 3.02Å; M387-S391 PolarHBondContact O-OG 3.06Å |
| 388 | D | 93.5 | Very high | 81.2 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 174 | -75.3 | -18.2 | 0 | 0 | 0 | 110.5 | V137 H141 C160 H161 G162 I164 P385 S391 I392 | V137-D388 HydrophobicContact CG1-CB 4.48Å; H141-D388 IonicContact CD2-OD2 3.88Å; H141-D388 IonicContact CE1-OD2 3.83Å; H141-D388 IonicContact NE2-OD2 2.89Å; H141-D388 PolarHBondContact NE2-OD2 2.87Å; C160-D388 WeakPolarHBondContact CA-OD2 3.24Å; C160-D388 WeakPolarHBondContact CB-OD2 3.5Å; H161-D388 PolarHBondContact N-OD1 3.3Å; H161-D388 PolarHBondContact N-OD2 3.13Å; G162-D388 PolarHBondContact N-OD1 2.86Å; I164-D388 HydrophobicContact CD1-CB 3.76Å; P385-D388 PolarHBondContact O-N 3.47Å; D388-S391 CarbonylContact O-C 3.44Å; D388-S391 WeakPolarHBondContact O-CA 3.36Å; D388-S391 VanDerWaalsContact O-CB 3.3Å; D388-S391 WeakPolarHBondContact O-CB 3.43Å; D388-S391 PolarHBondContact O-N 2.99Å; D388-S391 VanDerWaalsContact O-N 3.12Å; D388-I392 WeakPolarHBondContact O-CG1 3.47Å; D388-I392 PolarHBondContact O-N 3.1Å |
| 389 | L | 94.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.5 | -72 | 167.5 | 0 | 0 | 0 | 113.2 | P385 M387 S391 I392 G393 L442 R451 A453 | P385-L389 PolarHBondContact O-N 3.26Å; M387-L389 VanDerWaalsContact C-N 3.34Å; L389-S391 VanDerWaalsContact C-N 3.3Å; L389-S391 PolarHBondContact O-N 3.18Å; L389-I392 HydrophobicContact CD2-CD1 4.13Å; L389-I392 PolarHBondContact O-N 2.91Å; L389-G393 PolarHBondContact O-N 3.06Å; L389-L442 HydrophobicContact CB-CD2 3.95Å; L389-L442 HydrophobicContact CD2-CD2 3.8Å; L389-L442 HydrophobicContact CG-CD2 4.43Å; L389-R451 WeakPolarHBondContact CD1-O 3.22Å; L389-A453 HydrophobicContact CD2-CB 4.25Å |
| 390 | F | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 170.7 | -175.3 | -84.4 | 0 | 0 | 0 | 111.8 | L212 A213 P214 S386 I392 G393 C394 F407 L412 Y415 L442 L443 | L212-F390 WeakPolarHBondContact O-CE1 3.36Å; A213-F390 HydrophobicContact CB-CB 3.93Å; A213-F390 HydrophobicContact CB-CD1 4.17Å; A213-F390 HydrophobicContact CB-CG 4.11Å; P214-F390 HydrophobicContact CG-CE2 4.29Å; P214-F390 HydrophobicContact CG-CZ 4.5Å; S386-F390 PolarHBondContact O-N 3.37Å; F390-I392 VanDerWaalsContact C-N 3.34Å; F390-I392 PolarHBondContact O-N 3.2Å; F390-G393 WeakPolarHBondContact O-CA 3.31Å; F390-G393 PolarHBondContact O-N 3.02Å; F390-G393 VanDerWaalsContact O-N 3.11Å; F390-C394 PolarHBondContact O-N 2.73Å; F390-C394 VanDerWaalsContact O-N 3.09Å; F390-C394 PolarHBondContact O-SG 3.08Å; F390-F407 HydrophobicContact CE1-CE2 4.31Å; F390-F407 HydrophobicContact CZ-CD2 4.33Å; F390-F407 AromaticContact CZ-CE2 3.77Å; F390-F407 HydrophobicContact CZ-CE2 3.77Å; F390-F407 HydrophobicContact CZ-CZ 4.42Å; F390-L412 HydrophobicContact CE1-CD1 3.93Å; F390-L412 HydrophobicContact CZ-CD1 3.76Å; F390-Y415 HydrophobicContact CE2-CE1 4.14Å; F390-Y415 HydrophobicContact CZ-CE1 4.43Å; F390-L442 WeakPolarHBondContact CA-O 3.41Å; F390-L443 HydrophobicContact CD1-CD2 4.43Å; F390-L443 HydrophobicContact CD2-CD2 4.06Å; F390-L443 HydrophobicContact CE1-CD2 4.29Å; F390-L443 HydrophobicContact CE2-CB 4.48Å; F390-L443 HydrophobicContact CE2-CD2 3.89Å; F390-L443 WeakPolarHBondContact CE2-O 3.3Å; F390-L443 HydrophobicContact CG-CD2 4.33Å; F390-L443 HydrophobicContact CZ-CD2 4.01Å |
| 391 | S | 94.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 178 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | Y211 M387 D388 L389 C394 V395 | Y211-S391 VanDerWaalsContact O-CA 3.29Å; Y211-S391 WeakPolarHBondContact O-CA 3.48Å; Y211-S391 WeakPolarHBondContact O-CB 3.38Å; Y211-S391 PolarHBondContact O-OG 3.11Å; M387-S391 PolarHBondContact O-N 3.02Å; M387-S391 PolarHBondContact O-OG 3.06Å; D388-S391 CarbonylContact O-C 3.44Å; D388-S391 WeakPolarHBondContact O-CA 3.36Å; D388-S391 VanDerWaalsContact O-CB 3.3Å; D388-S391 WeakPolarHBondContact O-CB 3.43Å; D388-S391 PolarHBondContact O-N 2.99Å; D388-S391 VanDerWaalsContact O-N 3.12Å; L389-S391 VanDerWaalsContact C-N 3.3Å; L389-S391 PolarHBondContact O-N 3.18Å; S391-C394 WeakPolarHBondContact O-CB 3.24Å; S391-C394 PolarHBondContact O-N 3.5Å; S391-V395 WeakPolarHBondContact O-CG2 3.38Å; S391-V395 PolarHBondContact O-N 3.4Å |
| 392 | I | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64 | -43 | 170.1 | -63.9 | 162.2 | 0 | 0 | 0 | 111.2 | L133 L134 V137 I164 D388 L389 F390 C394 V395 L396 L442 | L133-I392 HydrophobicContact CD2-CG2 4.1Å; L133-I392 HydrophobicContact CG-CG2 4.3Å; L134-I392 HydrophobicContact CD2-CG2 4.29Å; V137-I392 HydrophobicContact CB-CD1 3.66Å; V137-I392 HydrophobicContact CG1-CD1 3.78Å; V137-I392 HydrophobicContact CG2-CD1 3.43Å; V137-I392 VanDerWaalsContact CG2-CD1 3.43Å; V137-I392 HydrophobicContact CG2-CG1 4.18Å; I164-I392 HydrophobicContact CD1-CD1 4.47Å; I164-I392 HydrophobicContact CD1-CG1 4.11Å; I164-I392 HydrophobicContact CG2-CG1 4.31Å; D388-I392 WeakPolarHBondContact O-CG1 3.47Å; D388-I392 PolarHBondContact O-N 3.1Å; L389-I392 HydrophobicContact CD2-CD1 4.13Å; L389-I392 PolarHBondContact O-N 2.91Å; F390-I392 VanDerWaalsContact C-N 3.34Å; F390-I392 PolarHBondContact O-N 3.2Å; I392-C394 PolarHBondContact O-N 2.76Å; I392-V395 CarbonylContact O-C 3.54Å; I392-V395 PolarHBondContact O-N 3.33Å; I392-L396 HydrophobicContact CG2-CD1 3.77Å; I392-L396 HydrophobicContact CG2-CG 3.79Å; I392-L396 WeakPolarHBondContact O-CG 3.23Å; I392-L396 PolarHBondContact O-N 3.49Å; I392-L442 HydrophobicContact CG2-CD1 4.34Å |
| 393 | G | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -53.4 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L389 F390 L397 | L389-G393 PolarHBondContact O-N 3.06Å; F390-G393 WeakPolarHBondContact O-CA 3.31Å; F390-G393 PolarHBondContact O-N 3.02Å; F390-G393 VanDerWaalsContact O-N 3.11Å; G393-L397 WeakPolarHBondContact O-CB 3.38Å; G393-L397 PolarHBondContact O-N 3.37Å |
| 394 | C | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | Y211 F390 S391 I392 L397 E398 A406 | Y211-C394 HydrophobicContact CD1-CB 3.66Å; Y211-C394 HydrophobicContact CE1-CB 4.4Å; Y211-C394 HydrophobicContact CG-CB 4.48Å; F390-C394 PolarHBondContact O-N 2.73Å; F390-C394 VanDerWaalsContact O-N 3.09Å; F390-C394 PolarHBondContact O-SG 3.08Å; S391-C394 WeakPolarHBondContact O-CB 3.24Å; S391-C394 PolarHBondContact O-N 3.5Å; I392-C394 PolarHBondContact O-N 2.76Å; C394-L397 PolarHBondContact O-N 3.04Å; C394-E398 PolarHBondContact O-N 2.69Å; C394-E398 VanDerWaalsContact O-N 3.16Å; C394-A406 HydrophobicContact CB-CB 3.98Å |
| 395 | V | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.3 | -36.1 | 179 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | L111 L133 A166 V169 Y211 S391 I392 E398 L399 | L111-V395 HydrophobicContact CD2-CG1 3.55Å; L133-V395 HydrophobicContact CD2-CG1 3.96Å; A166-V395 HydrophobicContact CB-CG1 4.38Å; V169-V395 HydrophobicContact CG2-CG1 4.33Å; Y211-V395 HydrophobicContact CD1-CG2 3.77Å; Y211-V395 HydrophobicContact CE1-CG2 3.75Å; S391-V395 WeakPolarHBondContact O-CG2 3.38Å; S391-V395 PolarHBondContact O-N 3.4Å; I392-V395 CarbonylContact O-C 3.54Å; I392-V395 PolarHBondContact O-N 3.33Å; V395-E398 PolarHBondContact O-N 3.12Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 3.44Å |
| 396 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.1 | -36.6 | 176 | -68.2 | -174.8 | 0 | 0 | 0 | 111.7 | A130 L133 I392 L399 F400 L438 I439 L442 | A130-L396 HydrophobicContact CB-CD2 3.52Å; L133-L396 HydrophobicContact CD2-CD2 4.24Å; I392-L396 HydrophobicContact CG2-CD1 3.77Å; I392-L396 HydrophobicContact CG2-CG 3.79Å; I392-L396 WeakPolarHBondContact O-CG 3.23Å; I392-L396 PolarHBondContact O-N 3.49Å; L396-L399 HydrophobicContact CD2-CD2 4.01Å; L396-L399 PolarHBondContact O-N 3.28Å; L396-F400 WeakPolarHBondContact O-CD2 3.13Å; L396-F400 PolarHBondContact O-N 2.95Å; L396-L438 HydrophobicContact CD1-CD2 4.18Å; L396-I439 HydrophobicContact CB-CD1 4.34Å; L396-I439 HydrophobicContact CB-CG1 3.85Å; L396-L442 HydrophobicContact CD1-CD1 3.75Å |
| 397 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 172.2 | -172.9 | 57.7 | 0 | 0 | 0 | 110.7 | G393 C394 L399 F400 T401 A406 L423 L426 L427 V430 I439 L443 | G393-L397 WeakPolarHBondContact O-CB 3.38Å; G393-L397 PolarHBondContact O-N 3.37Å; C394-L397 PolarHBondContact O-N 3.04Å; L397-L399 PolarHBondContact O-N 2.7Å; L397-F400 PolarHBondContact O-N 3.29Å; L397-T401 HydrophobicContact CD1-CG2 3.92Å; L397-T401 WeakPolarHBondContact O-CB 3.35Å; L397-T401 WeakPolarHBondContact O-CG2 3.31Å; L397-T401 PolarHBondContact O-N 3.08Å; L397-T401 PolarHBondContact O-OG1 3.37Å; L397-A406 HydrophobicContact CD2-CB 3.94Å; L397-L423 HydrophobicContact CD2-CD1 3.84Å; L397-L426 HydrophobicContact CD1-CB 4.09Å; L397-L426 HydrophobicContact CD2-CB 3.95Å; L397-L426 HydrophobicContact CD2-CD1 4.07Å; L397-L426 HydrophobicContact CG-CB 4.32Å; L397-L427 HydrophobicContact CD1-CD2 4.21Å; L397-V430 HydrophobicContact CD1-CG2 3.96Å; L397-I439 HydrophobicContact CB-CG2 3.9Å; L397-I439 HydrophobicContact CD1-CG2 4.15Å; L397-I439 HydrophobicContact CG-CG2 4.49Å; L397-L443 HydrophobicContact CD2-CD1 4.11Å |
| 398 | E | 92.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 176.5 | -170.8 | 179.4 | 175.1 | 0 | 0 | 112.5 | L115 Y211 C394 V395 D402 G403 | L115-E398 HydrophobicContact CD1-CG 4.22Å; Y211-E398 WeakPolarHBondContact CE1-OE2 3.33Å; Y211-E398 PolarHBondContact OH-OE2 3.09Å; C394-E398 PolarHBondContact O-N 2.69Å; C394-E398 VanDerWaalsContact O-N 3.16Å; V395-E398 PolarHBondContact O-N 3.12Å; E398-D402 PolarHBondContact O-N 2.97Å; E398-G403 PolarHBondContact O-N 3.46Å |
| 399 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.5 | 170.3 | 62.9 | 0 | 0 | 0 | 113.3 | L111 L115 L121 K126 I129 A130 V395 L396 L397 | L111-L399 HydrophobicContact CD1-CD1 3.97Å; L115-L399 HydrophobicContact CD2-CD1 4.17Å; L121-L399 HydrophobicContact CD1-CD1 4Å; K126-L399 HydrophobicContact CB-CD1 4.17Å; K126-L399 HydrophobicContact CB-CG 4.32Å; K126-L399 WeakPolarHBondContact CD-O 3.28Å; K126-L399 WeakPolarHBondContact CE-O 3.42Å; K126-L399 HydrophobicContact CG-CD1 3.86Å; K126-L399 HydrophobicContact CG-CG 4.37Å; K126-L399 PolarHBondContact NZ-O 2.95Å; I129-L399 HydrophobicContact CB-CD2 4.25Å; I129-L399 HydrophobicContact CG2-CD2 3.86Å; A130-L399 HydrophobicContact CB-CD2 4.11Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 3.44Å; L396-L399 HydrophobicContact CD2-CD2 4.01Å; L396-L399 PolarHBondContact O-N 3.28Å; L397-L399 PolarHBondContact O-N 2.7Å |
| 400 | F | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -80.5 | -19.7 | -177.6 | -81.6 | -80.6 | 0 | 0 | 0 | 113.5 | I123 K126 A130 L396 L397 V430 A435 I439 | I123-F400 HydrophobicContact CD1-CD1 4.29Å; I123-F400 HydrophobicContact CD1-CE1 3.83Å; K126-F400 HydrophobicContact CB-CE1 4.07Å; K126-F400 HydrophobicContact CB-CZ 4.28Å; K126-F400 HydrophobicContact CD-CD1 4.39Å; A130-F400 HydrophobicContact CB-CE2 4Å; A130-F400 HydrophobicContact CB-CZ 4.42Å; L396-F400 WeakPolarHBondContact O-CD2 3.13Å; L396-F400 PolarHBondContact O-N 2.95Å; L397-F400 PolarHBondContact O-N 3.29Å; F400-V430 HydrophobicContact CB-CG1 4.04Å; F400-V430 HydrophobicContact CB-CG2 4.18Å; F400-V430 HydrophobicContact CD1-CG1 4.49Å; F400-V430 HydrophobicContact CG-CG1 4.36Å; F400-A435 HydrophobicContact CD1-CB 4.3Å; F400-A435 HydrophobicContact CD2-CB 4.47Å; F400-A435 HydrophobicContact CE1-CB 3.98Å; F400-A435 HydrophobicContact CE2-CB 4.16Å; F400-A435 HydrophobicContact CZ-CB 3.91Å; F400-I439 HydrophobicContact CB-CD1 4.24Å; F400-I439 HydrophobicContact CD2-CD1 3.93Å; F400-I439 HydrophobicContact CG-CD1 4.34Å |
| 401 | T | 91.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 22.2 | 177.4 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | L397 G403 S404 Q429 V430 | L397-T401 HydrophobicContact CD1-CG2 3.92Å; L397-T401 WeakPolarHBondContact O-CB 3.35Å; L397-T401 WeakPolarHBondContact O-CG2 3.31Å; L397-T401 PolarHBondContact O-N 3.08Å; L397-T401 PolarHBondContact O-OG1 3.37Å; T401-G403 VanDerWaalsContact C-N 3.34Å; T401-G403 PolarHBondContact O-N 3.46Å; T401-S404 PolarHBondContact O-N 2.92Å; T401-S404 PolarHBondContact O-OG 2.99Å; T401-S404 VanDerWaalsContact OG1-CB 3.31Å; T401-S404 WeakPolarHBondContact OG1-CB 3.24Å; T401-S404 PolarHBondContact OG1-O 2.94Å; T401-Q429 HydrophobicContact CG2-CB 4.05Å; T401-V430 HydrophobicContact CG2-CG2 3.97Å |
| 402 | D | 86.8 | Confident | 91 | Very high | 96 Ų | 96 | 21.2 Ų | 21.2 | 51% | 0.513 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44 | 174 | -69.8 | -60.6 | 0 | 0 | 0 | 114.9 | K126 E398 | K126-D402 VanDerWaalsContact CE-OD1 3.24Å; K126-D402 WeakPolarHBondContact CE-OD1 3.44Å; K126-D402 IonicContact NZ-OD1 3.59Å; K126-D402 PolarHBondContact NZ-OD1 2.83Å; K126-D402 IonicContact NZ-OD2 2.83Å; K126-D402 PolarHBondContact NZ-OD2 2.95Å; E398-D402 PolarHBondContact O-N 2.97Å |
| 403 | G | 86.5 | Confident | 90.6 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 33% | 0.33 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 7.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E398 T401 I405 | E398-G403 PolarHBondContact O-N 3.46Å; T401-G403 VanDerWaalsContact C-N 3.34Å; T401-G403 PolarHBondContact O-N 3.46Å; G403-I405 PolarHBondContact O-N 2.68Å |
| 404 | S | 88.8 | Confident | 90.3 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | trans | -77.4 | 111.4 | 178.8 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | T401 A406 | T401-S404 PolarHBondContact O-N 2.92Å; T401-S404 PolarHBondContact O-OG 2.99Å; T401-S404 VanDerWaalsContact OG1-CB 3.31Å; T401-S404 WeakPolarHBondContact OG1-CB 3.24Å; T401-S404 PolarHBondContact OG1-O 2.94Å; S404-A406 PolarHBondContact O-N 2.99Å | ||
| 405 | I | 86.5 | Confident | 90.2 | Very high | 57 Ų | 57 | 24.7 Ų | 24.7 | 29% | 0.292 | 16% | 0.157 | S | C | . | . | trans | -63.1 | 128.9 | -175.2 | -66.3 | 158.4 | 0 | 0 | 0 | 111.9 | V209 G403 R422 | V209-I405 HydrophobicContact CB-CG2 4.35Å; V209-I405 HydrophobicContact CG1-CG2 3.65Å; V209-I405 HydrophobicContact CG2-CD1 3.84Å; V209-I405 HydrophobicContact CG2-CG1 4.23Å; V209-I405 HydrophobicContact CG2-CG2 3.92Å; G403-I405 PolarHBondContact O-N 2.68Å; I405-R422 PolarHBondContact O-NH2 3.38Å | ||
| 406 | A | 87.2 | Confident | 89.9 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | trans | -58.3 | -65.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C394 L397 S404 R422 | C394-A406 HydrophobicContact CB-CB 3.98Å; L397-A406 HydrophobicContact CD2-CB 3.94Å; S404-A406 PolarHBondContact O-N 2.99Å; A406-R422 WeakPolarHBondContact O-CD 3.41Å; A406-R422 PolarHBondContact O-NE 2.87Å | ||
| 407 | F | 91.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | trans | -139 | 141.9 | -175.3 | -53.6 | -79.6 | 0 | 0 | 0 | 112.8 | C210 F390 D411 L412 Y415 L423 L443 | C210-F407 PolarHBondContact N-O 2.89Å; F390-F407 HydrophobicContact CE1-CE2 4.31Å; F390-F407 HydrophobicContact CZ-CD2 4.33Å; F390-F407 AromaticContact CZ-CE2 3.77Å; F390-F407 HydrophobicContact CZ-CE2 3.77Å; F390-F407 HydrophobicContact CZ-CZ 4.42Å; F407-D411 HydrophobicContact CB-CB 4.09Å; F407-D411 HydrophobicContact CD1-CB 3.94Å; F407-L412 HydrophobicContact CB-CB 4.17Å; F407-L412 HydrophobicContact CD2-CD1 4.39Å; F407-L412 HydrophobicContact CG-CD1 4.45Å; F407-Y415 HydrophobicContact CE1-CD1 4.04Å; F407-Y415 HydrophobicContact CE1-CD2 4.04Å; F407-Y415 AromaticContact CE1-CG 3.69Å; F407-Y415 HydrophobicContact CE1-CG 3.69Å; F407-Y415 AromaticContact CZ-CD1 3.85Å; F407-Y415 HydrophobicContact CZ-CD1 3.85Å; F407-Y415 HydrophobicContact CZ-CD2 4.28Å; F407-Y415 HydrophobicContact CZ-CE1 4.15Å; F407-Y415 AromaticContact CZ-CG 3.94Å; F407-Y415 HydrophobicContact CZ-CG 3.94Å; F407-L423 HydrophobicContact CZ-CD1 4.41Å; F407-L423 HydrophobicContact CZ-CD2 4.47Å; F407-L443 HydrophobicContact CE2-CD2 4.22Å | ||
| 408 | T | 89.2 | Confident | 89.2 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -84.5 | 172.8 | 150.8 | 69.3 | 0 | 0 | 0 | 0 | 110.2 | R208 A410 D411 L412 | R208-T408 VanDerWaalsContact O-CA 3.3Å; R208-T408 WeakPolarHBondContact O-CA 3.5Å; R208-T408 WeakPolarHBondContact O-CB 3.38Å; T408-A410 PolarHBondContact O-N 3.41Å; T408-A410 PolarHBondContact OG1-N 3.4Å; T408-D411 WeakPolarHBondContact CA-OD2 3.19Å; T408-D411 VanDerWaalsContact CB-OD2 3.23Å; T408-D411 WeakPolarHBondContact CB-OD2 3.29Å; T408-D411 WeakPolarHBondContact CG2-OD2 3.43Å; T408-D411 PolarHBondContact N-OD2 2.9Å; T408-D411 PolarHBondContact O-N 2.87Å; T408-D411 PolarHBondContact OG1-N 3.06Å; T408-D411 PolarHBondContact OG1-OD2 2.91Å; T408-L412 PolarHBondContact O-N 3.34Å |
| 409 | L | 86.8 | Confident | 88.9 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.6 | -36.3 | 172.7 | -178.9 | 65.5 | 0 | 0 | 0 | 112.4 | P195 F198 R208 F217 L413 | P195-L409 HydrophobicContact CB-CD2 3.89Å; F198-L409 HydrophobicContact CD1-CD1 4.34Å; F198-L409 HydrophobicContact CD1-CD2 3.78Å; F198-L409 HydrophobicContact CD1-CG 4.44Å; F198-L409 HydrophobicContact CD2-CD1 4.43Å; F198-L409 HydrophobicContact CE1-CB 4.15Å; F198-L409 HydrophobicContact CE1-CD2 4.24Å; F198-L409 HydrophobicContact CG-CD1 4.28Å; F198-L409 HydrophobicContact CG-CD2 4.27Å; R208-L409 PolarHBondContact O-N 3.43Å; F217-L409 HydrophobicContact CE1-CD1 3.63Å; F217-L409 HydrophobicContact CE2-CD1 4.42Å; F217-L409 HydrophobicContact CZ-CD1 3.53Å; L409-L413 HydrophobicContact CD1-CD1 4.22Å; L409-L413 HydrophobicContact CD1-CG 4.39Å; L409-L413 HydrophobicContact CG-CD1 4.12Å; L409-L413 WeakPolarHBondContact O-CB 3.47Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 2.71Å; L409-L413 VanDerWaalsContact O-N 3.09Å |
| 410 | A | 86.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.4 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T408 L412 L413 A414 | T408-A410 PolarHBondContact O-N 3.41Å; T408-A410 PolarHBondContact OG1-N 3.4Å; A410-L412 VanDerWaalsContact C-N 3.33Å; A410-L412 PolarHBondContact O-N 3.09Å; A410-L413 PolarHBondContact O-N 3.4Å; A410-A414 WeakPolarHBondContact O-CB 3.42Å; A410-A414 PolarHBondContact O-N 3.15Å |
| 411 | D | 89.8 | Confident | 88.2 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.2 | -53.4 | -77.4 | 0 | 0 | 0 | 111.1 | F407 T408 A414 Y415 R422 | F407-D411 HydrophobicContact CB-CB 4.09Å; F407-D411 HydrophobicContact CD1-CB 3.94Å; T408-D411 WeakPolarHBondContact CA-OD2 3.19Å; T408-D411 VanDerWaalsContact CB-OD2 3.23Å; T408-D411 WeakPolarHBondContact CB-OD2 3.29Å; T408-D411 WeakPolarHBondContact CG2-OD2 3.43Å; T408-D411 PolarHBondContact N-OD2 2.9Å; T408-D411 PolarHBondContact O-N 2.87Å; T408-D411 PolarHBondContact OG1-N 3.06Å; T408-D411 PolarHBondContact OG1-OD2 2.91Å; D411-A414 PolarHBondContact O-N 3.14Å; D411-Y415 VanDerWaalsContact O-CB 3.32Å; D411-Y415 WeakPolarHBondContact O-CB 3.26Å; D411-Y415 PolarHBondContact O-N 3.31Å; D411-R422 WeakPolarHBondContact OD1-CD 3.44Å; D411-R422 IonicContact OD1-CZ 3.41Å; D411-R422 IonicContact OD1-NE 3.89Å; D411-R422 IonicContact OD1-NH1 2.85Å; D411-R422 PolarHBondContact OD1-NH1 3.46Å; D411-R422 IonicContact OD2-CZ 2.35Å; D411-R422 IonicContact OD2-NE 3.29Å; D411-R422 IonicContact OD2-NH1 3.75Å |
| 412 | L | 90.4 | Very high | 88 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 178.4 | -175.4 | 69.7 | 0 | 0 | 0 | 112.2 | C210 L212 P214 F217 F390 F407 T408 A410 A414 Y415 R416 | C210-L412 HydrophobicContact CB-CD2 4.27Å; C210-L412 WeakPolarHBondContact SG-CD2 3.34Å; L212-L412 WeakPolarHBondContact O-CD2 3.46Å; P214-L412 HydrophobicContact CB-CD1 4.18Å; F217-L412 HydrophobicContact CD2-CD2 4.26Å; F217-L412 HydrophobicContact CE2-CD2 3.63Å; F217-L412 HydrophobicContact CZ-CD2 4.45Å; F390-L412 HydrophobicContact CE1-CD1 3.93Å; F390-L412 HydrophobicContact CZ-CD1 3.76Å; F407-L412 HydrophobicContact CB-CB 4.17Å; F407-L412 HydrophobicContact CD2-CD1 4.39Å; F407-L412 HydrophobicContact CG-CD1 4.45Å; T408-L412 PolarHBondContact O-N 3.34Å; A410-L412 VanDerWaalsContact C-N 3.33Å; A410-L412 PolarHBondContact O-N 3.09Å; L412-A414 VanDerWaalsContact C-N 3.28Å; L412-A414 PolarHBondContact O-N 3.28Å; L412-Y415 PolarHBondContact O-N 2.89Å; L412-R416 WeakPolarHBondContact O-CB 3.32Å; L412-R416 PolarHBondContact O-N 3.03Å |
| 413 | L | 87.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -26.1 | 175.3 | -69.4 | 172.6 | 0 | 0 | 0 | 112.4 | F217 L409 A410 R417 | F217-L413 HydrophobicContact CB-CD2 4.5Å; F217-L413 HydrophobicContact CG-CD2 4.41Å; L409-L413 HydrophobicContact CD1-CD1 4.22Å; L409-L413 HydrophobicContact CD1-CG 4.39Å; L409-L413 HydrophobicContact CG-CD1 4.12Å; L409-L413 WeakPolarHBondContact O-CB 3.47Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 2.71Å; L409-L413 VanDerWaalsContact O-N 3.09Å; A410-L413 PolarHBondContact O-N 3.4Å; L413-R417 WeakPolarHBondContact O-CD 3.09Å; L413-R417 WeakPolarHBondContact O-CG 3.33Å |
| 414 | A | 88.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 56 Ų | 56 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.8 | -42.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A410 D411 L412 R416 R417 N418 D419 | A410-A414 WeakPolarHBondContact O-CB 3.42Å; A410-A414 PolarHBondContact O-N 3.15Å; D411-A414 PolarHBondContact O-N 3.14Å; L412-A414 VanDerWaalsContact C-N 3.28Å; L412-A414 PolarHBondContact O-N 3.28Å; A414-R416 VanDerWaalsContact C-N 3.33Å; A414-R416 PolarHBondContact O-N 2.82Å; A414-R417 CarbonylContact O-C 3.52Å; A414-R417 WeakPolarHBondContact O-CA 3.11Å; A414-R417 WeakPolarHBondContact O-CB 3.35Å; A414-R417 PolarHBondContact O-N 2.87Å; A414-N418 PolarHBondContact O-N 3.24Å; A414-D419 HydrophobicContact CB-CB 4.11Å; A414-D419 WeakPolarHBondContact O-CB 3.45Å; A414-D419 PolarHBondContact O-N 2.96Å |
| 415 | Y | 91.5 | Very high | 88.3 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.9 | -173.5 | -115.5 | 0 | 0 | 0 | 111.8 | F390 F407 D411 L412 R417 N418 D419 Q420 L423 L443 L445 | F390-Y415 HydrophobicContact CE2-CE1 4.14Å; F390-Y415 HydrophobicContact CZ-CE1 4.43Å; F407-Y415 HydrophobicContact CE1-CD1 4.04Å; F407-Y415 HydrophobicContact CE1-CD2 4.04Å; F407-Y415 AromaticContact CE1-CG 3.69Å; F407-Y415 HydrophobicContact CE1-CG 3.69Å; F407-Y415 AromaticContact CZ-CD1 3.85Å; F407-Y415 HydrophobicContact CZ-CD1 3.85Å; F407-Y415 HydrophobicContact CZ-CD2 4.28Å; F407-Y415 HydrophobicContact CZ-CE1 4.15Å; F407-Y415 AromaticContact CZ-CG 3.94Å; F407-Y415 HydrophobicContact CZ-CG 3.94Å; D411-Y415 VanDerWaalsContact O-CB 3.32Å; D411-Y415 WeakPolarHBondContact O-CB 3.26Å; D411-Y415 PolarHBondContact O-N 3.31Å; L412-Y415 PolarHBondContact O-N 2.89Å; Y415-R417 PolarHBondContact O-N 3.34Å; Y415-N418 WeakPolarHBondContact O-CA 3.44Å; Y415-N418 PolarHBondContact O-N 3.29Å; Y415-D419 WeakPolarHBondContact CA-O 3.21Å; Y415-Q420 HydrophobicContact CD2-CG 4.28Å; Y415-Q420 HydrophobicContact CE2-CB 4.37Å; Y415-Q420 HydrophobicContact CE2-CG 3.88Å; Y415-L423 HydrophobicContact CD2-CD2 4.46Å; Y415-L423 HydrophobicContact CE2-CB 4.43Å; Y415-L423 HydrophobicContact CE2-CD2 3.53Å; Y415-L443 PolarHBondContact OH-O 2.8Å; Y415-L445 HydrophobicContact CD1-CD2 3.54Å; Y415-L445 HydrophobicContact CD1-CG 4.21Å; Y415-L445 HydrophobicContact CE1-CD2 3.41Å; Y415-L445 VanDerWaalsContact CE1-CD2 3.41Å; Y415-L445 HydrophobicContact CE1-CG 3.64Å; Y415-L445 HydrophobicContact CG-CD2 4.28Å |
| 416 | R | 88.6 | Confident | 88.5 | Confident | 93 Ų | 93 | 58 Ų | 58 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.7 | 171.1 | -173.1 | -178.3 | 179 | -168.9 | 12.5 | 113.6 | P214 F217 L412 A414 N418 | P214-R416 HydrophobicContact CB-CB 4.24Å; P214-R416 HydrophobicContact CB-CG 4.38Å; F217-R416 PolarHBondContact O-NH1 3.06Å; F217-R416 PolarHBondContact O-NH2 3.46Å; L412-R416 WeakPolarHBondContact O-CB 3.32Å; L412-R416 PolarHBondContact O-N 3.03Å; A414-R416 VanDerWaalsContact C-N 3.33Å; A414-R416 PolarHBondContact O-N 2.82Å; R416-N418 VanDerWaalsContact C-N 3.28Å |
| 417 | R | 87.6 | Confident | 88.7 | Confident | 200 Ų | 200 | 59 Ų | 59 | 76% | 0.755 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 15.5 | 173.2 | -64.2 | 167.8 | 179.3 | 165.6 | 0.6 | 112.7 | L413 A414 Y415 | L413-R417 WeakPolarHBondContact O-CD 3.09Å; L413-R417 WeakPolarHBondContact O-CG 3.33Å; A414-R417 CarbonylContact O-C 3.52Å; A414-R417 WeakPolarHBondContact O-CA 3.11Å; A414-R417 WeakPolarHBondContact O-CB 3.35Å; A414-R417 PolarHBondContact O-N 2.87Å; Y415-R417 PolarHBondContact O-N 3.34Å |
| 418 | N | 86.7 | Confident | 88.6 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 18.1 | -176.5 | -55.2 | -64.2 | 0 | 0 | 0 | 116.3 | A414 Y415 R416 Q420 L445 | A414-N418 PolarHBondContact O-N 3.24Å; Y415-N418 WeakPolarHBondContact O-CA 3.44Å; Y415-N418 PolarHBondContact O-N 3.29Å; R416-N418 VanDerWaalsContact C-N 3.28Å; N418-Q420 PolarHBondContact O-N 3.25Å; N418-Q420 VanDerWaalsContact O-N 3.16Å; N418-L445 VanDerWaalsContact OD1-CD1 3.3Å; N418-L445 WeakPolarHBondContact OD1-CD1 3.37Å |
| 419 | D | 88.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | trans | -78.3 | 98.1 | 167.8 | -173.9 | -4 | 0 | 0 | 0 | 110.9 | A414 Y415 S421 | A414-D419 HydrophobicContact CB-CB 4.11Å; A414-D419 WeakPolarHBondContact O-CB 3.45Å; A414-D419 PolarHBondContact O-N 2.96Å; Y415-D419 WeakPolarHBondContact CA-O 3.21Å; D419-S421 WeakPolarHBondContact OD1-CB 3.35Å; D419-S421 PolarHBondContact OD1-N 2.97Å; D419-S421 PolarHBondContact OD1-OG 2.72Å | ||
| 420 | Q | 86.2 | Confident | 88.8 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | trans | -92.4 | 2.7 | 178.4 | -51.3 | -165.9 | -13.1 | 0 | 0 | 113.5 | Y415 N418 R422 L423 S424 | Y415-Q420 HydrophobicContact CD2-CG 4.28Å; Y415-Q420 HydrophobicContact CE2-CB 4.37Å; Y415-Q420 HydrophobicContact CE2-CG 3.88Å; N418-Q420 PolarHBondContact O-N 3.25Å; N418-Q420 VanDerWaalsContact O-N 3.16Å; Q420-R422 PolarHBondContact O-N 3.39Å; Q420-R422 VanDerWaalsContact O-N 3.12Å; Q420-L423 PolarHBondContact O-N 3.33Å; Q420-S424 PolarHBondContact O-N 3.39Å; Q420-S424 VanDerWaalsContact O-N 3.13Å; Q420-S424 PolarHBondContact O-OG 2.97Å | ||
| 421 | S | 85.2 | Confident | 88.8 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -18.7 | -166 | 69.1 | 0 | 0 | 0 | 0 | 115.5 | D419 K425 | D419-S421 WeakPolarHBondContact OD1-CB 3.35Å; D419-S421 PolarHBondContact OD1-N 2.97Å; D419-S421 PolarHBondContact OD1-OG 2.72Å; S421-K425 VanDerWaalsContact O-CD 3.29Å; S421-K425 WeakPolarHBondContact O-CD 3.45Å; S421-K425 VanDerWaalsContact O-CE 3.31Å; S421-K425 WeakPolarHBondContact O-CE 3.43Å; S421-K425 WeakPolarHBondContact O-CG 3.49Å |
| 422 | R | 87.6 | Confident | 88.6 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -83.6 | -44.7 | 169.8 | -180 | -178.3 | 179.3 | 99.2 | 15.8 | 111.9 | I405 A406 D411 Q420 K425 L426 | I405-R422 PolarHBondContact O-NH2 3.38Å; A406-R422 WeakPolarHBondContact O-CD 3.41Å; A406-R422 PolarHBondContact O-NE 2.87Å; D411-R422 WeakPolarHBondContact OD1-CD 3.44Å; D411-R422 IonicContact OD1-CZ 3.41Å; D411-R422 IonicContact OD1-NE 3.89Å; D411-R422 IonicContact OD1-NH1 2.85Å; D411-R422 PolarHBondContact OD1-NH1 3.46Å; D411-R422 IonicContact OD2-CZ 2.35Å; D411-R422 IonicContact OD2-NE 3.29Å; D411-R422 IonicContact OD2-NH1 3.75Å; Q420-R422 PolarHBondContact O-N 3.39Å; Q420-R422 VanDerWaalsContact O-N 3.12Å; R422-K425 PolarHBondContact O-N 3.18Å; R422-L426 HydrophobicContact CG-CD1 4.16Å; R422-L426 PolarHBondContact O-N 2.91Å |
| 423 | L | 89.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -173.3 | 178.6 | 60.6 | 0 | 0 | 0 | 111.7 | L397 F407 Y415 Q420 K425 L426 L427 L443 | L397-L423 HydrophobicContact CD2-CD1 3.84Å; F407-L423 HydrophobicContact CZ-CD1 4.41Å; F407-L423 HydrophobicContact CZ-CD2 4.47Å; Y415-L423 HydrophobicContact CD2-CD2 4.46Å; Y415-L423 HydrophobicContact CE2-CB 4.43Å; Y415-L423 HydrophobicContact CE2-CD2 3.53Å; Q420-L423 PolarHBondContact O-N 3.33Å; L423-K425 PolarHBondContact O-N 2.98Å; L423-L426 PolarHBondContact O-N 3.4Å; L423-L427 HydrophobicContact CD1-CD1 4.07Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CD2-CD1 4.45Å; L423-L427 HydrophobicContact CG-CD1 3.85Å; L423-L427 HydrophobicContact CG-CG 4.34Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 2.8Å; L423-L443 HydrophobicContact CD1-CD1 3.64Å; L423-L443 HydrophobicContact CD2-CB 4.5Å |
| 424 | S | 89.1 | Confident | 88.8 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.3 | -49 | 176.9 | 54 | 0 | 0 | 0 | 0 | 112.2 | Q420 L426 L427 E428 | Q420-S424 PolarHBondContact O-N 3.39Å; Q420-S424 VanDerWaalsContact O-N 3.13Å; Q420-S424 PolarHBondContact O-OG 2.97Å; S424-L426 VanDerWaalsContact C-N 3.26Å; S424-L426 PolarHBondContact O-N 3.14Å; S424-L427 PolarHBondContact O-N 2.84Å; S424-L427 VanDerWaalsContact O-N 3.14Å; S424-E428 WeakPolarHBondContact O-CG 3.29Å; S424-E428 PolarHBondContact O-N 3.05Å |
| 425 | K | 89.8 | Confident | 88.9 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 55% | 0.548 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -28.8 | 179.2 | -65 | 174.5 | -173.6 | 166.1 | 0 | 113.9 | S421 R422 L423 Q429 | S421-K425 VanDerWaalsContact O-CD 3.29Å; S421-K425 WeakPolarHBondContact O-CD 3.45Å; S421-K425 VanDerWaalsContact O-CE 3.31Å; S421-K425 WeakPolarHBondContact O-CE 3.43Å; S421-K425 WeakPolarHBondContact O-CG 3.49Å; R422-K425 PolarHBondContact O-N 3.18Å; L423-K425 PolarHBondContact O-N 2.98Å; K425-Q429 WeakPolarHBondContact O-CG 3.24Å; K425-Q429 PolarHBondContact O-NE2 3.04Å |
| 426 | L | 90.5 | Very high | 89 | Confident | 17 Ų | 17 | 76.9 Ų | 76.9 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -82 | -37.9 | 174.9 | -67.3 | 173.5 | 0 | 0 | 0 | 111.4 | L397 R422 L423 S424 E428 Q429 | L397-L426 HydrophobicContact CD1-CB 4.09Å; L397-L426 HydrophobicContact CD2-CB 3.95Å; L397-L426 HydrophobicContact CD2-CD1 4.07Å; L397-L426 HydrophobicContact CG-CB 4.32Å; R422-L426 HydrophobicContact CG-CD1 4.16Å; R422-L426 PolarHBondContact O-N 2.91Å; L423-L426 PolarHBondContact O-N 3.4Å; S424-L426 VanDerWaalsContact C-N 3.26Å; S424-L426 PolarHBondContact O-N 3.14Å; L426-E428 VanDerWaalsContact C-N 3.29Å; L426-E428 PolarHBondContact O-N 3.45Å; L426-Q429 WeakPolarHBondContact O-CB 3.47Å; L426-Q429 PolarHBondContact O-N 3.34Å; L426-Q429 VanDerWaalsContact O-N 3.13Å |
| 427 | L | 91.2 | Very high | 89.2 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.12 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.2 | -29.5 | 174.3 | -73.2 | 171.5 | 0 | 0 | 0 | 112.8 | L397 L423 S424 Q429 V430 K436 I439 | L397-L427 HydrophobicContact CD1-CD2 4.21Å; L423-L427 HydrophobicContact CD1-CD1 4.07Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CD2-CD1 4.45Å; L423-L427 HydrophobicContact CG-CD1 3.85Å; L423-L427 HydrophobicContact CG-CG 4.34Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 2.8Å; S424-L427 PolarHBondContact O-N 2.84Å; S424-L427 VanDerWaalsContact O-N 3.14Å; L427-Q429 PolarHBondContact O-N 3.4Å; L427-V430 PolarHBondContact O-N 2.97Å; L427-K436 HydrophobicContact CB-CG 4.3Å; L427-K436 HydrophobicContact CD2-CG 4.3Å; L427-K436 VanDerWaalsContact O-CD 3.29Å; L427-K436 WeakPolarHBondContact O-CD 3.45Å; L427-K436 WeakPolarHBondContact O-CE 3.38Å; L427-K436 WeakPolarHBondContact O-CG 3.25Å; L427-I439 HydrophobicContact CD2-CB 4.16Å; L427-I439 HydrophobicContact CD2-CG2 3.81Å |
| 428 | E | 90.1 | Very high | 89.4 | Confident | 145 Ų | 145 | 67.5 Ų | 67.5 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.9 | 171.6 | -76.5 | 166.9 | -169.4 | 0 | 0 | 113.5 | S424 L426 | S424-E428 WeakPolarHBondContact O-CG 3.29Å; S424-E428 PolarHBondContact O-N 3.05Å; L426-E428 VanDerWaalsContact C-N 3.29Å; L426-E428 PolarHBondContact O-N 3.45Å |
| 429 | Q | 90.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.4 | 179.2 | -63.2 | 172.3 | 11.1 | 0 | 0 | 113.3 | T401 K425 L426 L427 P431 | T401-Q429 HydrophobicContact CG2-CB 4.05Å; K425-Q429 WeakPolarHBondContact O-CG 3.24Å; K425-Q429 PolarHBondContact O-NE2 3.04Å; L426-Q429 WeakPolarHBondContact O-CB 3.47Å; L426-Q429 PolarHBondContact O-N 3.34Å; L426-Q429 VanDerWaalsContact O-N 3.13Å; L427-Q429 PolarHBondContact O-N 3.4Å; Q429-P431 WeakPolarHBondContact O-CD 3.27Å |
| 430 | V | 89.9 | Confident | 90 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | trans | -78.9 | 115.5 | -178.1 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | L397 F400 T401 L427 C432 A435 K436 I439 | L397-V430 HydrophobicContact CD1-CG2 3.96Å; F400-V430 HydrophobicContact CB-CG1 4.04Å; F400-V430 HydrophobicContact CB-CG2 4.18Å; F400-V430 HydrophobicContact CD1-CG1 4.49Å; F400-V430 HydrophobicContact CG-CG1 4.36Å; T401-V430 HydrophobicContact CG2-CG2 3.97Å; L427-V430 PolarHBondContact O-N 2.97Å; V430-C432 PolarHBondContact O-N 2.92Å; V430-A435 HydrophobicContact CG1-CB 4.21Å; V430-K436 HydrophobicContact CB-CB 4.06Å; V430-K436 HydrophobicContact CB-CG 4.43Å; V430-K436 HydrophobicContact CG1-CB 3.86Å; V430-I439 HydrophobicContact CG1-CD1 4.31Å; V430-I439 HydrophobicContact CG2-CD1 4.18Å | ||
| 431 | P | 86.1 | Confident | 90.4 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -76 | 4.2 | -168.8 | 31.4 | -38.1 | 0 | 0 | 0 | 115 | I123 Q429 | I123-P431 HydrophobicContact CD1-CG 4.45Å; Q429-P431 WeakPolarHBondContact O-CD 3.27Å |
| 432 | C | 85.4 | Confident | 90.8 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | trans | -134 | 109.9 | -178.5 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | V430 H434 A435 K436 | V430-C432 PolarHBondContact O-N 2.92Å; C432-H434 PolarHBondContact O-N 3.27Å; C432-A435 HydrophobicContact CB-CB 3.94Å; C432-A435 WeakPolarHBondContact O-CA 3.46Å; C432-A435 WeakPolarHBondContact O-CB 3.33Å; C432-A435 PolarHBondContact O-N 3.21Å; C432-K436 WeakPolarHBondContact O-CB 3.47Å; C432-K436 PolarHBondContact O-N 3.45Å | ||
| 433 | E | 90.3 | Very high | 91.1 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56.3 | -33.8 | -178.4 | -68.5 | -62.3 | 137.2 | 0 | 0 | 113.1 | K436 F437 | E433-K436 PolarHBondContact O-N 2.86Å; E433-K436 IonicContact OE1-NZ 3.7Å; E433-K436 PolarHBondContact OE1-NZ 3.25Å; E433-K436 WeakPolarHBondContact OE2-CD 3.46Å; E433-K436 IonicContact OE2-NZ 2.68Å; E433-K436 PolarHBondContact OE2-NZ 3.03Å; E433-F437 WeakPolarHBondContact O-CB 3.42Å; E433-F437 PolarHBondContact O-N 3.5Å |
| 434 | H | 91.9 | Very high | 91.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 43% | 0.431 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 175.2 | -63 | 120.2 | 0 | 0 | 0 | 113.1 | C432 L438 Q460 K463 T464 | C432-H434 PolarHBondContact O-N 3.27Å; H434-L438 PolarHBondContact O-N 3.41Å; H434-L438 VanDerWaalsContact O-N 3.08Å; H434-Q460 PolarHBondContact O-NE2 3.4Å; H434-Q460 VanDerWaalsContact O-NE2 3.08Å; H434-K463 HydrophobicContact CB-CB 4.22Å; H434-T464 WeakPolarHBondContact CB-OG1 3.07Å; H434-T464 PolarHBondContact O-OG1 3.16Å |
| 435 | A | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.4 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F400 V430 C432 F437 L438 I439 T464 | F400-A435 HydrophobicContact CD1-CB 4.3Å; F400-A435 HydrophobicContact CD2-CB 4.47Å; F400-A435 HydrophobicContact CE1-CB 3.98Å; F400-A435 HydrophobicContact CE2-CB 4.16Å; F400-A435 HydrophobicContact CZ-CB 3.91Å; V430-A435 HydrophobicContact CG1-CB 4.21Å; C432-A435 HydrophobicContact CB-CB 3.94Å; C432-A435 WeakPolarHBondContact O-CA 3.46Å; C432-A435 WeakPolarHBondContact O-CB 3.33Å; C432-A435 PolarHBondContact O-N 3.21Å; A435-F437 VanDerWaalsContact C-N 3.33Å; A435-F437 PolarHBondContact O-N 2.68Å; A435-L438 WeakPolarHBondContact O-CB 3.48Å; A435-L438 PolarHBondContact O-N 2.95Å; A435-I439 WeakPolarHBondContact O-CB 3.33Å; A435-I439 WeakPolarHBondContact O-CD1 3.35Å; A435-I439 VanDerWaalsContact O-CG1 3.22Å; A435-I439 WeakPolarHBondContact O-CG1 3.39Å; A435-I439 PolarHBondContact O-N 2.85Å; A435-T464 HydrophobicContact CB-CG2 3.89Å; A435-T464 PolarHBondContact N-OG1 3.32Å |
| 436 | K | 93.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 171.8 | -177.5 | 179.8 | 169 | -157.6 | 0 | 111.2 | L427 V430 C432 E433 I439 S440 | L427-K436 HydrophobicContact CB-CG 4.3Å; L427-K436 HydrophobicContact CD2-CG 4.3Å; L427-K436 VanDerWaalsContact O-CD 3.29Å; L427-K436 WeakPolarHBondContact O-CD 3.45Å; L427-K436 WeakPolarHBondContact O-CE 3.38Å; L427-K436 WeakPolarHBondContact O-CG 3.25Å; V430-K436 HydrophobicContact CB-CB 4.06Å; V430-K436 HydrophobicContact CB-CG 4.43Å; V430-K436 HydrophobicContact CG1-CB 3.86Å; C432-K436 WeakPolarHBondContact O-CB 3.47Å; C432-K436 PolarHBondContact O-N 3.45Å; E433-K436 PolarHBondContact O-N 2.86Å; E433-K436 IonicContact OE1-NZ 3.7Å; E433-K436 PolarHBondContact OE1-NZ 3.25Å; E433-K436 WeakPolarHBondContact OE2-CD 3.46Å; E433-K436 IonicContact OE2-NZ 2.68Å; E433-K436 PolarHBondContact OE2-NZ 3.03Å; K436-I439 PolarHBondContact O-N 2.99Å; K436-S440 WeakPolarHBondContact O-CB 3.44Å; K436-S440 PolarHBondContact O-N 2.82Å; K436-S440 PolarHBondContact O-OG 3.13Å |
| 437 | F | 92.6 | Very high | 91.2 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 171.6 | -178.2 | -83.6 | 0 | 0 | 0 | 111.7 | E433 A435 I439 S440 T441 | E433-F437 WeakPolarHBondContact O-CB 3.42Å; E433-F437 PolarHBondContact O-N 3.5Å; A435-F437 VanDerWaalsContact C-N 3.33Å; A435-F437 PolarHBondContact O-N 2.68Å; F437-I439 PolarHBondContact O-N 2.97Å; F437-S440 WeakPolarHBondContact CA-OG 3.43Å; F437-S440 PolarHBondContact O-N 2.99Å; F437-S440 PolarHBondContact O-OG 3.22Å; F437-T441 PolarHBondContact O-N 3.24Å; F437-T441 PolarHBondContact O-OG1 3.17Å |
| 438 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.4 | -51.2 | 175.8 | 171.8 | 62.4 | 0 | 0 | 0 | 111.9 | L134 L396 H434 A435 S440 T441 L442 H456 Q460 F465 | L134-L438 HydrophobicContact CD1-CD1 4.33Å; L134-L438 HydrophobicContact CD1-CD2 4.15Å; L396-L438 HydrophobicContact CD1-CD2 4.18Å; H434-L438 PolarHBondContact O-N 3.41Å; H434-L438 VanDerWaalsContact O-N 3.08Å; A435-L438 WeakPolarHBondContact O-CB 3.48Å; A435-L438 PolarHBondContact O-N 2.95Å; L438-S440 PolarHBondContact O-N 3.38Å; L438-T441 PolarHBondContact O-N 2.94Å; L438-L442 HydrophobicContact CD1-CD1 3.83Å; L438-L442 HydrophobicContact CD1-CG 4.2Å; L438-L442 HydrophobicContact CG-CD1 4Å; L438-L442 WeakPolarHBondContact O-CG 3.2Å; L438-L442 PolarHBondContact O-N 3.2Å; L438-H456 HydrophobicContact CD1-CB 3.89Å; L438-H456 VanDerWaalsContact CD1-ND1 3.34Å; L438-H456 WeakPolarHBondContact CD1-ND1 3.31Å; L438-Q460 HydrophobicContact CB-CG 4.39Å; L438-Q460 HydrophobicContact CD1-CG 4.27Å; L438-Q460 HydrophobicContact CD2-CG 4.4Å; L438-F465 HydrophobicContact CD2-CE2 4.26Å; L438-F465 HydrophobicContact CD2-CZ 3.85Å |
| 439 | I | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | -179.3 | -65.2 | 159.8 | 0 | 0 | 0 | 110.7 | L396 L397 F400 L427 V430 A435 K436 F437 T441 L442 L443 | L396-I439 HydrophobicContact CB-CD1 4.34Å; L396-I439 HydrophobicContact CB-CG1 3.85Å; L397-I439 HydrophobicContact CB-CG2 3.9Å; L397-I439 HydrophobicContact CD1-CG2 4.15Å; L397-I439 HydrophobicContact CG-CG2 4.49Å; F400-I439 HydrophobicContact CB-CD1 4.24Å; F400-I439 HydrophobicContact CD2-CD1 3.93Å; F400-I439 HydrophobicContact CG-CD1 4.34Å; L427-I439 HydrophobicContact CD2-CB 4.16Å; L427-I439 HydrophobicContact CD2-CG2 3.81Å; V430-I439 HydrophobicContact CG1-CD1 4.31Å; V430-I439 HydrophobicContact CG2-CD1 4.18Å; A435-I439 WeakPolarHBondContact O-CB 3.33Å; A435-I439 WeakPolarHBondContact O-CD1 3.35Å; A435-I439 VanDerWaalsContact O-CG1 3.22Å; A435-I439 WeakPolarHBondContact O-CG1 3.39Å; A435-I439 PolarHBondContact O-N 2.85Å; K436-I439 PolarHBondContact O-N 2.99Å; F437-I439 PolarHBondContact O-N 2.97Å; I439-T441 VanDerWaalsContact C-N 3.33Å; I439-T441 PolarHBondContact O-N 3.33Å; I439-L442 PolarHBondContact O-N 3.22Å; I439-L443 HydrophobicContact CG2-CD1 3.74Å; I439-L443 HydrophobicContact CG2-CG 4.35Å; I439-L443 WeakPolarHBondContact O-CB 3.34Å; I439-L443 WeakPolarHBondContact O-CG 3.39Å; I439-L443 PolarHBondContact O-N 3.02Å |
| 440 | S | 93 | Very high | 90.9 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 177.9 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | K436 F437 L438 S444 | K436-S440 WeakPolarHBondContact O-CB 3.44Å; K436-S440 PolarHBondContact O-N 2.82Å; K436-S440 PolarHBondContact O-OG 3.13Å; F437-S440 WeakPolarHBondContact CA-OG 3.43Å; F437-S440 PolarHBondContact O-N 2.99Å; F437-S440 PolarHBondContact O-OG 3.22Å; L438-S440 PolarHBondContact O-N 3.38Å; S440-S444 PolarHBondContact O-N 3.13Å |
| 441 | T | 93.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 175.6 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | F437 L438 I439 L443 S444 E449 | F437-T441 PolarHBondContact O-N 3.24Å; F437-T441 PolarHBondContact O-OG1 3.17Å; L438-T441 PolarHBondContact O-N 2.94Å; I439-T441 VanDerWaalsContact C-N 3.33Å; I439-T441 PolarHBondContact O-N 3.33Å; T441-L443 VanDerWaalsContact C-N 3.28Å; T441-L443 PolarHBondContact O-N 2.95Å; T441-S444 PolarHBondContact O-N 3.03Å; T441-E449 WeakPolarHBondContact CG2-O 3.27Å |
| 442 | L | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 176.7 | -71.4 | 169.6 | 0 | 0 | 0 | 112.8 | L389 F390 I392 L396 L438 I439 R450 | L389-L442 HydrophobicContact CB-CD2 3.95Å; L389-L442 HydrophobicContact CD2-CD2 3.8Å; L389-L442 HydrophobicContact CG-CD2 4.43Å; F390-L442 WeakPolarHBondContact CA-O 3.41Å; I392-L442 HydrophobicContact CG2-CD1 4.34Å; L396-L442 HydrophobicContact CD1-CD1 3.75Å; L438-L442 HydrophobicContact CD1-CD1 3.83Å; L438-L442 HydrophobicContact CD1-CG 4.2Å; L438-L442 HydrophobicContact CG-CD1 4Å; L438-L442 WeakPolarHBondContact O-CG 3.2Å; L438-L442 PolarHBondContact O-N 3.2Å; I439-L442 PolarHBondContact O-N 3.22Å; L442-R450 WeakPolarHBondContact O-CD 3.42Å |
| 443 | L | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6 | -179.2 | -71.2 | -179.8 | 0 | 0 | 0 | 114.8 | F390 L397 F407 Y415 L423 I439 T441 | F390-L443 HydrophobicContact CD1-CD2 4.43Å; F390-L443 HydrophobicContact CD2-CD2 4.06Å; F390-L443 HydrophobicContact CE1-CD2 4.29Å; F390-L443 HydrophobicContact CE2-CB 4.48Å; F390-L443 HydrophobicContact CE2-CD2 3.89Å; F390-L443 WeakPolarHBondContact CE2-O 3.3Å; F390-L443 HydrophobicContact CG-CD2 4.33Å; F390-L443 HydrophobicContact CZ-CD2 4.01Å; L397-L443 HydrophobicContact CD2-CD1 4.11Å; F407-L443 HydrophobicContact CE2-CD2 4.22Å; Y415-L443 PolarHBondContact OH-O 2.8Å; L423-L443 HydrophobicContact CD1-CD1 3.64Å; L423-L443 HydrophobicContact CD2-CB 4.5Å; I439-L443 HydrophobicContact CG2-CD1 3.74Å; I439-L443 HydrophobicContact CG2-CG 4.35Å; I439-L443 WeakPolarHBondContact O-CB 3.34Å; I439-L443 WeakPolarHBondContact O-CG 3.39Å; I439-L443 PolarHBondContact O-N 3.02Å; T441-L443 VanDerWaalsContact C-N 3.28Å; T441-L443 PolarHBondContact O-N 2.95Å |
| 444 | S | 92.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | trans | -58.9 | 145.5 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | S440 T441 D446 E449 R450 | S440-S444 PolarHBondContact O-N 3.13Å; T441-S444 PolarHBondContact O-N 3.03Å; S444-D446 VanDerWaalsContact C-N 3.29Å; S444-D446 PolarHBondContact OG-N 3.43Å; S444-E449 WeakPolarHBondContact CB-OE2 3.48Å; S444-E449 PolarHBondContact OG-OE2 3.3Å; S444-R450 PolarHBondContact O-NE 3.39Å; S444-R450 PolarHBondContact O-NH2 3.22Å; S444-R450 VanDerWaalsContact O-NH2 3.15Å | ||
| 445 | L | 90.3 | Very high | 91.4 | Very high | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -64.6 | -34.7 | 172.3 | -74.7 | 170.2 | 0 | 0 | 0 | 111.6 | P214 Y415 N418 R450 | P214-L445 HydrophobicContact CG-CD2 4.13Å; Y415-L445 HydrophobicContact CD1-CD2 3.54Å; Y415-L445 HydrophobicContact CD1-CG 4.21Å; Y415-L445 HydrophobicContact CE1-CD2 3.41Å; Y415-L445 VanDerWaalsContact CE1-CD2 3.41Å; Y415-L445 HydrophobicContact CE1-CG 3.64Å; Y415-L445 HydrophobicContact CG-CD2 4.28Å; N418-L445 VanDerWaalsContact OD1-CD1 3.3Å; N418-L445 WeakPolarHBondContact OD1-CD1 3.37Å; L445-R450 PolarHBondContact O-NH2 3.28Å |
| 446 | D | 88.6 | Confident | 91.4 | Very high | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -73.6 | 136.2 | 170.6 | -170.9 | -1 | 0 | 0 | 0 | 110 | S444 E448 E449 R450 | S444-D446 VanDerWaalsContact C-N 3.29Å; S444-D446 PolarHBondContact OG-N 3.43Å; D446-E448 PolarHBondContact OD1-N 3.43Å; D446-E449 HydrophobicContact CB-CB 4.28Å; D446-E449 HydrophobicContact CB-CG 4.03Å; D446-R450 WeakPolarHBondContact O-CG 3.5Å; D446-R450 PolarHBondContact O-NE 3.09Å |
| 447 | K | 89 | Confident | 91.4 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 47% | 0.47 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -73.8 | -29.7 | 176.8 | 62.4 | -175.2 | 175.5 | 84 | 0 | 112.6 | ||
| 448 | E | 86.9 | Confident | 91.3 | Very high | 124 Ų | 124 | 47.8 Ų | 47.8 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -78.7 | -36.9 | -177.3 | -55 | -55.9 | 146.7 | 0 | 0 | 111.7 | D446 R450 R451 | D446-E448 PolarHBondContact OD1-N 3.43Å; E448-R450 PolarHBondContact O-N 3.11Å; E448-R450 VanDerWaalsContact O-N 3.14Å; E448-R451 PolarHBondContact O-N 2.95Å |
| 449 | E | 88.1 | Confident | 91.2 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.4 | 176.3 | -73.3 | -166 | 148 | 0 | 0 | 113.5 | T441 S444 D446 R451 | T441-E449 WeakPolarHBondContact CG2-O 3.27Å; S444-E449 WeakPolarHBondContact CB-OE2 3.48Å; S444-E449 PolarHBondContact OG-OE2 3.3Å; D446-E449 HydrophobicContact CB-CB 4.28Å; D446-E449 HydrophobicContact CB-CG 4.03Å; E449-R451 PolarHBondContact O-N 2.97Å |
| 450 | R | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.6 | -179.2 | -58.1 | -178.6 | -157.8 | 148.8 | 9.8 | 113.8 | E215 S386 L442 S444 L445 D446 E448 H456 | E215-R450 IonicContact OE1-CZ 3.31Å; E215-R450 IonicContact OE1-NH1 2.76Å; E215-R450 PolarHBondContact OE1-NH1 2.87Å; E215-R450 IonicContact OE1-NH2 2.77Å; E215-R450 IonicContact OE2-CZ 2.75Å; E215-R450 IonicContact OE2-NH1 3.19Å; E215-R450 PolarHBondContact OE2-NH1 3.33Å; E215-R450 IonicContact OE2-NH2 3.67Å; E215-R450 PolarHBondContact OE2-NH2 3.23Å; S386-R450 WeakPolarHBondContact O-CD 3.46Å; S386-R450 PolarHBondContact O-NH1 2.94Å; L442-R450 WeakPolarHBondContact O-CD 3.42Å; S444-R450 PolarHBondContact O-NE 3.39Å; S444-R450 PolarHBondContact O-NH2 3.22Å; S444-R450 VanDerWaalsContact O-NH2 3.15Å; L445-R450 PolarHBondContact O-NH2 3.28Å; D446-R450 WeakPolarHBondContact O-CG 3.5Å; D446-R450 PolarHBondContact O-NE 3.09Å; E448-R450 PolarHBondContact O-N 3.11Å; E448-R450 VanDerWaalsContact O-N 3.14Å; R450-H456 PolarHBondContact O-NE2 3.07Å |
| 451 | R | 89.6 | Confident | 91 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | trans | 56.2 | -163.2 | 177.1 | -63.1 | 169 | -169.1 | -143.5 | -13.5 | 113 | L389 E448 E449 E455 | L389-R451 WeakPolarHBondContact CD1-O 3.22Å; E448-R451 PolarHBondContact O-N 2.95Å; E449-R451 PolarHBondContact O-N 2.97Å; R451-E455 HydrophobicContact CB-CB 4.36Å | ||
| 452 | T | 90.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | trans | -103.7 | 161.3 | 172 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | A454 E455 H456 | T452-A454 PolarHBondContact O-N 3Å; T452-E455 WeakPolarHBondContact CB-OE2 3.47Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.14Å; T452-E455 PolarHBondContact N-OE2 3.26Å; T452-E455 PolarHBondContact O-N 3.33Å; T452-E455 VanDerWaalsContact OG1-CD 3.3Å; T452-E455 VanDerWaalsContact OG1-CG 3.26Å; T452-E455 WeakPolarHBondContact OG1-CG 3.43Å; T452-E455 PolarHBondContact OG1-N 2.97Å; T452-E455 PolarHBondContact OG1-OE2 3.18Å; T452-H456 PolarHBondContact O-CD2 3.14Å; T452-H456 VanDerWaalsContact O-CD2 3.24Å; T452-H456 PolarHBondContact O-N 2.92Å | ||
| 453 | A | 90.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | D138 L389 E455 H456 L457 | D138-A453 HydrophobicContact CB-CB 3.84Å; L389-A453 HydrophobicContact CD2-CB 4.25Å; A453-E455 PolarHBondContact O-N 3.47Å; A453-H456 PolarHBondContact O-N 3.08Å; A453-L457 WeakPolarHBondContact O-CG 3.43Å; A453-L457 PolarHBondContact O-N 3.29Å |
| 454 | A | 90.3 | Very high | 90.1 | Very high | 46 Ų | 46 | 59.4 Ų | 59.4 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D138 T452 L457 E458 | D138-A454 WeakPolarHBondContact OD1-CB 3.25Å; D138-A454 PolarHBondContact OD1-N 3.39Å; T452-A454 PolarHBondContact O-N 3Å; A454-L457 PolarHBondContact O-N 3.37Å; A454-E458 PolarHBondContact O-N 2.92Å |
| 455 | E | 91.7 | Very high | 90.1 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.6 | -73.4 | 166 | 122.6 | 0 | 0 | 111.8 | R451 T452 A453 Q459 | R451-E455 HydrophobicContact CB-CB 4.36Å; T452-E455 WeakPolarHBondContact CB-OE2 3.47Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.14Å; T452-E455 PolarHBondContact N-OE2 3.26Å; T452-E455 PolarHBondContact O-N 3.33Å; T452-E455 VanDerWaalsContact OG1-CD 3.3Å; T452-E455 VanDerWaalsContact OG1-CG 3.26Å; T452-E455 WeakPolarHBondContact OG1-CG 3.43Å; T452-E455 PolarHBondContact OG1-N 2.97Å; T452-E455 PolarHBondContact OG1-OE2 3.18Å; A453-E455 PolarHBondContact O-N 3.47Å; E455-Q459 WeakPolarHBondContact O-CB 3.33Å; E455-Q459 PolarHBondContact O-N 3.38Å |
| 456 | H | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 172.8 | -76.6 | -61.6 | 0 | 0 | 0 | 112.3 | L134 L438 R450 T452 A453 E458 Q459 Q460 | L134-H456 HydrophobicContact CD1-CB 4.29Å; L438-H456 HydrophobicContact CD1-CB 3.89Å; L438-H456 VanDerWaalsContact CD1-ND1 3.34Å; L438-H456 WeakPolarHBondContact CD1-ND1 3.31Å; R450-H456 PolarHBondContact O-NE2 3.07Å; T452-H456 PolarHBondContact O-CD2 3.14Å; T452-H456 VanDerWaalsContact O-CD2 3.24Å; T452-H456 PolarHBondContact O-N 2.92Å; A453-H456 PolarHBondContact O-N 3.08Å; H456-E458 PolarHBondContact O-N 2.99Å; H456-Q459 PolarHBondContact O-N 3.46Å; H456-Q460 VanDerWaalsContact O-CB 3.24Å; H456-Q460 WeakPolarHBondContact O-CB 3.47Å; H456-Q460 WeakPolarHBondContact O-CG 3.46Å; H456-Q460 PolarHBondContact O-N 3.38Å |
| 457 | L | 92.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 178 | -77.6 | 169.2 | 0 | 0 | 0 | 111.9 | Y131 L134 D138 A453 A454 R461 Y470 | Y131-L457 HydrophobicContact CD2-CD2 3.78Å; Y131-L457 HydrophobicContact CE2-CD2 3.93Å; L134-L457 HydrophobicContact CB-CD1 4.34Å; L134-L457 HydrophobicContact CB-CD2 3.77Å; L134-L457 HydrophobicContact CB-CG 3.95Å; L134-L457 HydrophobicContact CD1-CD2 4.38Å; D138-L457 HydrophobicContact CB-CD1 4.1Å; A453-L457 WeakPolarHBondContact O-CG 3.43Å; A453-L457 PolarHBondContact O-N 3.29Å; A454-L457 PolarHBondContact O-N 3.37Å; L457-R461 PolarHBondContact O-N 3.45Å; L457-Y470 PolarHBondContact O-OH 3.47Å |
| 458 | E | 91.5 | Very high | 90.1 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -78.7 | -36.9 | 177.4 | -165.4 | 62.8 | -162.1 | 0 | 0 | 112.2 | A454 H456 Q460 R461 | A454-E458 PolarHBondContact O-N 2.92Å; H456-E458 PolarHBondContact O-N 2.99Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 2.86Å; E458-R461 VanDerWaalsContact O-CB 3.27Å; E458-R461 WeakPolarHBondContact O-CB 3.49Å; E458-R461 PolarHBondContact O-N 2.94Å; E458-R461 WeakPolarHBondContact OE1-CD 3.35Å; E458-R461 IonicContact OE1-CZ 3.31Å; E458-R461 IonicContact OE1-NE 2.87Å; E458-R461 IonicContact OE1-NH1 3.07Å; E458-R461 PolarHBondContact OE1-NH1 3.13Å; E458-R461 WeakPolarHBondContact OE2-CD 3.46Å; E458-R461 IonicContact OE2-CZ 3.45Å; E458-R461 IonicContact OE2-NE 3.56Å; E458-R461 IonicContact OE2-NH1 2.86Å; E458-R461 PolarHBondContact OE2-NH1 2.8Å |
| 459 | Q | 91.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | 177.9 | -179.3 | 173.3 | -8.5 | 0 | 0 | 112.9 | E455 H456 K463 | E455-Q459 WeakPolarHBondContact O-CB 3.33Å; E455-Q459 PolarHBondContact O-N 3.38Å; H456-Q459 PolarHBondContact O-N 3.46Å; Q459-K463 WeakPolarHBondContact O-CD 3.26Å; Q459-K463 PolarHBondContact O-NZ 3.35Å |
| 460 | Q | 91.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3.3 | -179.3 | -67.1 | -67.5 | -12.1 | 0 | 0 | 114.4 | H434 L438 H456 E458 G462 K463 T464 F465 | H434-Q460 PolarHBondContact O-NE2 3.4Å; H434-Q460 VanDerWaalsContact O-NE2 3.08Å; L438-Q460 HydrophobicContact CB-CG 4.39Å; L438-Q460 HydrophobicContact CD1-CG 4.27Å; L438-Q460 HydrophobicContact CD2-CG 4.4Å; H456-Q460 VanDerWaalsContact O-CB 3.24Å; H456-Q460 WeakPolarHBondContact O-CB 3.47Å; H456-Q460 WeakPolarHBondContact O-CG 3.46Å; H456-Q460 PolarHBondContact O-N 3.38Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 2.86Å; Q460-G462 PolarHBondContact O-N 2.98Å; Q460-K463 PolarHBondContact O-N 2.75Å; Q460-T464 PolarHBondContact O-N 3.15Å; Q460-T464 VanDerWaalsContact O-N 3.16Å; Q460-T464 PolarHBondContact OE1-OG1 3.46Å; Q460-F465 HydrophobicContact CB-CD2 3.58Å; Q460-F465 HydrophobicContact CB-CE2 3.73Å; Q460-F465 HydrophobicContact CG-CE2 4.39Å; Q460-F465 PolarHBondContact O-N 2.92Å; Q460-F465 VanDerWaalsContact O-N 3.16Å |
| 461 | R | 91.7 | Very high | 90.2 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -62.4 | 127.7 | 176.1 | -170.4 | 170.8 | -176.6 | -171.4 | 1 | 110.7 | L457 E458 K463 Y470 | L457-R461 PolarHBondContact O-N 3.45Å; E458-R461 VanDerWaalsContact O-CB 3.27Å; E458-R461 WeakPolarHBondContact O-CB 3.49Å; E458-R461 PolarHBondContact O-N 2.94Å; E458-R461 WeakPolarHBondContact OE1-CD 3.35Å; E458-R461 IonicContact OE1-CZ 3.31Å; E458-R461 IonicContact OE1-NE 2.87Å; E458-R461 IonicContact OE1-NH1 3.07Å; E458-R461 PolarHBondContact OE1-NH1 3.13Å; E458-R461 WeakPolarHBondContact OE2-CD 3.46Å; E458-R461 IonicContact OE2-CZ 3.45Å; E458-R461 IonicContact OE2-NE 3.56Å; E458-R461 IonicContact OE2-NH1 2.86Å; E458-R461 PolarHBondContact OE2-NH1 2.8Å; R461-K463 PolarHBondContact O-N 3.35Å; R461-Y470 WeakPolarHBondContact CA-OH 3.48Å; R461-Y470 HydrophobicContact CB-CE1 4.16Å; R461-Y470 HydrophobicContact CB-CE2 4.12Å; R461-Y470 HydrophobicContact CG-CD1 4.28Å; R461-Y470 HydrophobicContact CG-CD2 3.99Å; R461-Y470 HydrophobicContact CG-CE1 3.95Å; R461-Y470 HydrophobicContact CG-CE2 3.7Å; R461-Y470 HydrophobicContact CG-CG 4.32Å |
| 462 | G | 86 | Confident | 90 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 8.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q460 F465 | Q460-G462 PolarHBondContact O-N 2.98Å; G462-F465 PolarHBondContact N-O 3.36Å |
| 463 | K | 88.1 | Confident | 89.9 | Confident | 104 Ų | 104 | 38.7 Ų | 38.7 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -84.1 | 179.3 | -61 | 174.9 | -164.4 | 151.1 | 0 | 111.5 | H434 Q459 Q460 R461 | H434-K463 HydrophobicContact CB-CB 4.22Å; Q459-K463 WeakPolarHBondContact O-CD 3.26Å; Q459-K463 PolarHBondContact O-NZ 3.35Å; Q460-K463 PolarHBondContact O-N 2.75Å; R461-K463 PolarHBondContact O-N 3.35Å |
| 464 | T | 88.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -34.3 | 171.4 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | R127 H434 A435 Q460 | R127-T464 VanDerWaalsContact CD-O 3.27Å; R127-T464 WeakPolarHBondContact CD-O 3.37Å; R127-T464 HydrophobicContact CG-CG2 4.48Å; R127-T464 VanDerWaalsContact CG-O 3.25Å; R127-T464 WeakPolarHBondContact CG-O 3.3Å; R127-T464 PolarHBondContact NE-O 3.34Å; H434-T464 WeakPolarHBondContact CB-OG1 3.07Å; H434-T464 PolarHBondContact O-OG1 3.16Å; A435-T464 HydrophobicContact CB-CG2 3.89Å; A435-T464 PolarHBondContact N-OG1 3.32Å; Q460-T464 PolarHBondContact O-N 3.15Å; Q460-T464 VanDerWaalsContact O-N 3.16Å; Q460-T464 PolarHBondContact OE1-OG1 3.46Å |
| 465 | F | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 111.9 | -176.6 | -52.4 | -46.5 | 0 | 0 | 0 | 109.8 | R127 A130 Y131 L134 L438 Q460 G462 F469 Y470 | R127-F465 WeakPolarHBondContact O-CE1 3.38Å; A130-F465 HydrophobicContact CB-CE1 3.93Å; A130-F465 HydrophobicContact CB-CZ 4.27Å; Y131-F465 HydrophobicContact CD2-CB 4.21Å; Y131-F465 HydrophobicContact CD2-CD2 4.22Å; Y131-F465 HydrophobicContact CD2-CG 4.06Å; L134-F465 HydrophobicContact CD1-CE2 3.78Å; L134-F465 HydrophobicContact CD1-CZ 3.87Å; L438-F465 HydrophobicContact CD2-CE2 4.26Å; L438-F465 HydrophobicContact CD2-CZ 3.85Å; Q460-F465 HydrophobicContact CB-CD2 3.58Å; Q460-F465 HydrophobicContact CB-CE2 3.73Å; Q460-F465 HydrophobicContact CG-CE2 4.39Å; Q460-F465 PolarHBondContact O-N 2.92Å; Q460-F465 VanDerWaalsContact O-N 3.16Å; G462-F465 PolarHBondContact N-O 3.36Å; F465-F469 HydrophobicContact CB-CD2 4.11Å; F465-Y470 HydrophobicContact CB-CE2 3.79Å; F465-Y470 WeakPolarHBondContact CB-OH 3.17Å; F465-Y470 WeakPolarHBondContact CD2-OH 3.31Å |
| 466 | P | 90.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 36 Ų | 36 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | trans | -54.4 | 141.7 | 176.4 | -27 | 35.4 | 0 | 0 | 0 | 112.1 | V468 F469 N513 T516 | P466-V468 PolarHBondContact O-N 3.41Å; P466-V468 VanDerWaalsContact O-N 3.09Å; P466-F469 HydrophobicContact CG-CE1 4.4Å; P466-F469 HydrophobicContact CG-CZ 4.39Å; P466-F469 WeakPolarHBondContact O-CB 3.24Å; P466-F469 PolarHBondContact O-N 2.68Å; P466-N513 WeakPolarHBondContact CB-OD1 3.25Å; P466-T516 HydrophobicContact CG-CG2 4.44Å | ||
| 467 | S | 87.9 | Confident | 89.3 | Confident | 51 Ų | 51 | 36 Ų | 36 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.3 | -32.3 | -177.3 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | F469 Y470 T471 | S467-F469 PolarHBondContact O-N 3.32Å; S467-Y470 WeakPolarHBondContact O-CB 3.19Å; S467-Y470 PolarHBondContact O-N 3.09Å; S467-T471 PolarHBondContact O-N 3.06Å; S467-T471 PolarHBondContact O-OG1 3.1Å |
| 468 | V | 89.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -21.4 | 179 | 173.3 | 0 | 0 | 0 | 0 | 113.6 | P466 Y470 H472 L473 V506 N513 V517 | P466-V468 PolarHBondContact O-N 3.41Å; P466-V468 VanDerWaalsContact O-N 3.09Å; V468-Y470 VanDerWaalsContact C-N 3.25Å; V468-Y470 PolarHBondContact O-N 3.43Å; V468-H472 HydrophobicContact CG1-CB 4.21Å; V468-H472 PolarHBondContact O-N 3.28Å; V468-L473 WeakPolarHBondContact O-CB 3.44Å; V468-L473 PolarHBondContact O-N 3.41Å; V468-V506 HydrophobicContact CG1-CG1 4.2Å; V468-V506 HydrophobicContact CG1-CG2 4.32Å; V468-N513 HydrophobicContact CB-CB 4.25Å; V468-N513 HydrophobicContact CG2-CB 3.68Å; V468-N513 VanDerWaalsContact CG2-CG 3.46Å; V468-V517 HydrophobicContact CG1-CG2 3.5Å |
| 469 | F | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -58.2 | -40.8 | 168.5 | -73.2 | 1.1 | 0 | 0 | 0 | 111.5 | R127 W128 Y131 F465 P466 S467 L473 T474 T516 I520 | R127-F469 HydrophobicContact CB-CE2 4.02Å; R127-F469 HydrophobicContact CB-CZ 4.21Å; W128-F469 HydrophobicContact CB-CE2 4.26Å; W128-F469 HydrophobicContact CB-CZ 3.94Å; W128-F469 HydrophobicContact CE3-CB 4.47Å; W128-F469 AromaticContact CE3-CD1 3.87Å; W128-F469 HydrophobicContact CE3-CD1 3.87Å; W128-F469 AromaticContact CE3-CD2 3.9Å; W128-F469 HydrophobicContact CE3-CD2 3.9Å; W128-F469 AromaticContact CE3-CE1 3.94Å; W128-F469 HydrophobicContact CE3-CE1 3.94Å; W128-F469 AromaticContact CE3-CE2 4Å; W128-F469 HydrophobicContact CE3-CE2 4Å; W128-F469 AromaticContact CE3-CG 3.84Å; W128-F469 HydrophobicContact CE3-CG 3.84Å; W128-F469 HydrophobicContact CE3-CZ 4.02Å; W128-F469 HydrophobicContact CZ3-CB 4.17Å; W128-F469 HydrophobicContact CZ3-CD1 4.21Å; W128-F469 HydrophobicContact CZ3-CD2 4.39Å; W128-F469 HydrophobicContact CZ3-CG 4.03Å; Y131-F469 HydrophobicContact CD1-CB 4.31Å; Y131-F469 HydrophobicContact CD1-CD2 4.13Å; Y131-F469 HydrophobicContact CD2-CB 4.49Å; Y131-F469 HydrophobicContact CD2-CD2 4.27Å; Y131-F469 HydrophobicContact CE1-CB 4.16Å; Y131-F469 HydrophobicContact CE2-CB 4.33Å; Y131-F469 HydrophobicContact CG-CB 4.48Å; Y131-F469 AromaticContact CG-CD2 3.85Å; Y131-F469 HydrophobicContact CG-CD2 3.85Å; F465-F469 HydrophobicContact CB-CD2 4.11Å; P466-F469 HydrophobicContact CG-CE1 4.4Å; P466-F469 HydrophobicContact CG-CZ 4.39Å; P466-F469 WeakPolarHBondContact O-CB 3.24Å; P466-F469 PolarHBondContact O-N 2.68Å; S467-F469 PolarHBondContact O-N 3.32Å; F469-L473 HydrophobicContact CD1-CD2 3.73Å; F469-L473 HydrophobicContact CE1-CD2 3.94Å; F469-T474 VanDerWaalsContact O-CB 3.25Å; F469-T474 WeakPolarHBondContact O-CB 3.14Å; F469-T474 PolarHBondContact O-N 2.79Å; F469-T474 PolarHBondContact O-OG1 3.43Å; F469-T516 HydrophobicContact CE1-CG2 3.67Å; F469-T516 HydrophobicContact CZ-CG2 4.17Å; F469-I520 HydrophobicContact CE1-CD1 3.62Å; F469-I520 HydrophobicContact CZ-CD1 4.03Å |
| 470 | Y | 90.2 | Very high | 88.1 | Confident | 40 Ų | 40 | 31.4 Ų | 31.4 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -83.2 | -40.9 | -175.5 | -53.8 | -114.6 | 0 | 0 | 0 | 111.4 | Y131 L457 R461 F465 S467 V468 | Y131-Y470 HydrophobicContact CD2-CE2 4.27Å; Y131-Y470 HydrophobicContact CE2-CD1 4.03Å; Y131-Y470 HydrophobicContact CE2-CD2 4.17Å; Y131-Y470 AromaticContact CE2-CE1 3.75Å; Y131-Y470 HydrophobicContact CE2-CE1 3.75Å; Y131-Y470 AromaticContact CE2-CE2 3.84Å; Y131-Y470 HydrophobicContact CE2-CE2 3.84Å; Y131-Y470 HydrophobicContact CE2-CG 4.23Å; Y131-Y470 AromaticContact CE2-CZ 3.62Å; L457-Y470 PolarHBondContact O-OH 3.47Å; R461-Y470 WeakPolarHBondContact CA-OH 3.48Å; R461-Y470 HydrophobicContact CB-CE1 4.16Å; R461-Y470 HydrophobicContact CB-CE2 4.12Å; R461-Y470 HydrophobicContact CG-CD1 4.28Å; R461-Y470 HydrophobicContact CG-CD2 3.99Å; R461-Y470 HydrophobicContact CG-CE1 3.95Å; R461-Y470 HydrophobicContact CG-CE2 3.7Å; R461-Y470 HydrophobicContact CG-CG 4.32Å; F465-Y470 HydrophobicContact CB-CE2 3.79Å; F465-Y470 WeakPolarHBondContact CB-OH 3.17Å; F465-Y470 WeakPolarHBondContact CD2-OH 3.31Å; S467-Y470 WeakPolarHBondContact O-CB 3.19Å; S467-Y470 PolarHBondContact O-N 3.09Å; V468-Y470 VanDerWaalsContact C-N 3.25Å; V468-Y470 PolarHBondContact O-N 3.43Å |
| 471 | T | 86.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 31.9 Ų | 31.9 | 43% | 0.429 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -89.9 | -36.1 | -168.6 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | S467 | S467-T471 PolarHBondContact O-N 3.06Å; S467-T471 PolarHBondContact O-OG1 3.1Å |
| 472 | H | 86.5 | Confident | 86.4 | Confident | 49 Ų | 49 | 28.5 Ų | 28.5 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -125.4 | -46.2 | -173.8 | -53.5 | -71.9 | 0 | 0 | 0 | 112.7 | V468 Y476 F502 V506 | V468-H472 HydrophobicContact CG1-CB 4.21Å; V468-H472 PolarHBondContact O-N 3.28Å; H472-Y476 WeakPolarHBondContact O-CB 3.26Å; H472-Y476 PolarHBondContact O-N 3.47Å; H472-F502 HydrophobicContact CB-CE2 3.84Å; H472-F502 HydrophobicContact CB-CZ 4.07Å; H472-V506 HydrophobicContact CB-CG2 4.03Å |
| 473 | L | 88.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -73 | -46.8 | -167.5 | -171.3 | 63.3 | 0 | 0 | 0 | 112.9 | W128 V468 F469 Y476 L477 F502 V517 I520 | W128-L473 HydrophobicContact CD2-CD2 4.39Å; W128-L473 HydrophobicContact CE3-CD2 3.96Å; W128-L473 HydrophobicContact CH2-CD2 4.34Å; W128-L473 HydrophobicContact CH2-CG 4.28Å; W128-L473 HydrophobicContact CZ3-CD2 3.93Å; W128-L473 HydrophobicContact CZ3-CG 4.26Å; V468-L473 WeakPolarHBondContact O-CB 3.44Å; V468-L473 PolarHBondContact O-N 3.41Å; F469-L473 HydrophobicContact CD1-CD2 3.73Å; F469-L473 HydrophobicContact CE1-CD2 3.94Å; L473-Y476 PolarHBondContact O-N 3.48Å; L473-L477 HydrophobicContact CD1-CD1 3.68Å; L473-L477 HydrophobicContact CD1-CG 3.96Å; L473-L477 HydrophobicContact CD2-CD1 4.41Å; L473-L477 HydrophobicContact CG-CD1 3.71Å; L473-L477 HydrophobicContact CG-CG 4.3Å; L473-L477 VanDerWaalsContact O-CB 3.31Å; L473-L477 WeakPolarHBondContact O-CB 3.42Å; L473-L477 VanDerWaalsContact O-CG 3.3Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 2.93Å; L473-F502 HydrophobicContact CD1-CZ 4.42Å; L473-V517 HydrophobicContact CD1-CG1 4.41Å; L473-V517 HydrophobicContact CD1-CG2 4.27Å; L473-V517 HydrophobicContact CD2-CG2 4.46Å; L473-I520 HydrophobicContact CD2-CB 4.33Å; L473-I520 HydrophobicContact CD2-CD1 3.55Å; L473-I520 HydrophobicContact CD2-CG2 4.19Å |
| 474 | T | 89.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | Y85 W128 Y131 W176 F469 Y476 L477 Q478 | Y85-T474 HydrophobicContact CE2-CG2 4.45Å; W128-T474 WeakPolarHBondContact CH2-OG1 3.48Å; Y131-T474 VanDerWaalsContact CE1-OG1 3.31Å; Y131-T474 WeakPolarHBondContact CE1-OG1 3.32Å; Y131-T474 PolarHBondContact OH-OG1 2.99Å; W176-T474 HydrophobicContact CH2-CG2 4.4Å; F469-T474 VanDerWaalsContact O-CB 3.25Å; F469-T474 WeakPolarHBondContact O-CB 3.14Å; F469-T474 PolarHBondContact O-N 2.79Å; F469-T474 PolarHBondContact O-OG1 3.43Å; T474-Y476 VanDerWaalsContact C-N 3.3Å; T474-Y476 PolarHBondContact O-N 3.22Å; T474-L477 PolarHBondContact O-N 3.23Å; T474-Q478 HydrophobicContact CG2-CG 4.27Å; T474-Q478 WeakPolarHBondContact O-CB 3.4Å; T474-Q478 VanDerWaalsContact O-CG 3.27Å; T474-Q478 WeakPolarHBondContact O-CG 3.5Å; T474-Q478 PolarHBondContact O-N 3.4Å |
| 475 | P | 86.8 | Confident | 84 | Confident | 61 Ų | 61 | 27.1 Ų | 27.1 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 174.8 | -25.1 | 35.5 | 0 | 0 | 0 | 113.6 | N479 | P475-N479 PolarHBondContact O-ND2 2.86Å |
| 476 | Y | 87.5 | Confident | 82.8 | Confident | 20 Ų | 20 | 30 Ų | 30 | 8% | 0.078 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.2 | -44 | 176.7 | -176.6 | -107.9 | 0 | 0 | 0 | 112.2 | H472 L473 T474 N479 F480 F494 L495 T498 F502 I521 | H472-Y476 WeakPolarHBondContact O-CB 3.26Å; H472-Y476 PolarHBondContact O-N 3.47Å; L473-Y476 PolarHBondContact O-N 3.48Å; T474-Y476 VanDerWaalsContact C-N 3.3Å; T474-Y476 PolarHBondContact O-N 3.22Å; Y476-N479 WeakPolarHBondContact O-CB 3.4Å; Y476-N479 PolarHBondContact O-N 2.62Å; Y476-N479 PolarHBondContact O-ND2 3.24Å; Y476-F480 HydrophobicContact CD1-CE2 4.16Å; Y476-F480 AromaticContact CE1-CE2 3.78Å; Y476-F480 HydrophobicContact CE1-CE2 3.78Å; Y476-F480 HydrophobicContact CE1-CZ 4.18Å; Y476-F494 HydrophobicContact CE2-CE1 4.1Å; Y476-L495 HydrophobicContact CE1-CD2 4.35Å; Y476-T498 PolarHBondContact OH-OG1 3.48Å; Y476-F502 AromaticContact CD1-CD1 3.98Å; Y476-F502 HydrophobicContact CD1-CD1 3.98Å; Y476-F502 HydrophobicContact CD1-CD2 4.28Å; Y476-F502 AromaticContact CD1-CE1 3.79Å; Y476-F502 HydrophobicContact CD1-CE1 3.79Å; Y476-F502 HydrophobicContact CD1-CE2 4.11Å; Y476-F502 HydrophobicContact CD1-CG 4.22Å; Y476-F502 AromaticContact CD1-CZ 3.87Å; Y476-F502 HydrophobicContact CD1-CZ 3.87Å; Y476-F502 HydrophobicContact CD2-CB 4.5Å; Y476-F502 AromaticContact CD2-CD2 3.68Å; Y476-F502 HydrophobicContact CD2-CD2 3.68Å; Y476-F502 HydrophobicContact CD2-CE2 4.01Å; Y476-F502 AromaticContact CD2-CG 4Å; Y476-F502 HydrophobicContact CD2-CG 4Å; Y476-F502 HydrophobicContact CE1-CD1 4.03Å; Y476-F502 HydrophobicContact CE1-CE1 4.24Å; Y476-F502 HydrophobicContact CE1-CG 4.3Å; Y476-F502 HydrophobicContact CE2-CB 4.2Å; Y476-F502 HydrophobicContact CE2-CD2 4.23Å; Y476-F502 HydrophobicContact CE2-CG 4.09Å; Y476-F502 HydrophobicContact CG-CD1 4.26Å; Y476-F502 AromaticContact CG-CD2 3.72Å; Y476-F502 HydrophobicContact CG-CD2 3.72Å; Y476-F502 HydrophobicContact CG-CE1 4.13Å; Y476-F502 AromaticContact CG-CE2 3.57Å; Y476-F502 HydrophobicContact CG-CE2 3.57Å; Y476-F502 HydrophobicContact CG-CG 4.07Å; Y476-F502 AromaticContact CG-CZ 3.79Å; Y476-F502 HydrophobicContact CG-CZ 3.79Å; Y476-I521 HydrophobicContact CE1-CD1 4.19Å |
| 477 | L | 87.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73 | -29.4 | -178.5 | -70.5 | 178.2 | 0 | 0 | 0 | 113.5 | W128 W174 W176 L473 T474 N479 F480 I520 L524 | W128-L477 HydrophobicContact CH2-CD1 4Å; W128-L477 HydrophobicContact CZ2-CD1 3.43Å; W128-L477 VanDerWaalsContact CZ2-CD1 3.43Å; W174-L477 HydrophobicContact CE3-CD2 4.46Å; W174-L477 HydrophobicContact CH2-CB 4.29Å; W174-L477 HydrophobicContact CZ3-CB 3.98Å; W174-L477 HydrophobicContact CZ3-CD1 4.15Å; W174-L477 HydrophobicContact CZ3-CD2 3.91Å; W174-L477 HydrophobicContact CZ3-CG 4.23Å; W176-L477 HydrophobicContact CE3-CB 4.38Å; W176-L477 HydrophobicContact CZ3-CB 3.82Å; L473-L477 HydrophobicContact CD1-CD1 3.68Å; L473-L477 HydrophobicContact CD1-CG 3.96Å; L473-L477 HydrophobicContact CD2-CD1 4.41Å; L473-L477 HydrophobicContact CG-CD1 3.71Å; L473-L477 HydrophobicContact CG-CG 4.3Å; L473-L477 VanDerWaalsContact O-CB 3.31Å; L473-L477 WeakPolarHBondContact O-CB 3.42Å; L473-L477 VanDerWaalsContact O-CG 3.3Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 2.93Å; T474-L477 PolarHBondContact O-N 3.23Å; L477-N479 PolarHBondContact O-N 3.31Å; L477-F480 HydrophobicContact CD2-CD2 4.32Å; L477-F480 HydrophobicContact CD2-CE2 4.47Å; L477-F480 PolarHBondContact O-N 3.4Å; L477-I520 HydrophobicContact CD1-CG2 3.97Å; L477-L524 HydrophobicContact CD2-CD2 3.97Å |
| 478 | Q | 84.9 | Confident | 81.2 | Confident | 44 Ų | 44 | 29.1 Ų | 29.1 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -28.7 | 172.9 | -79.8 | 171.5 | -20.1 | 0 | 0 | 113.1 | Y85 W176 T474 F480 L481 | Y85-Q478 VanDerWaalsContact CZ-NE2 3.28Å; W176-Q478 HydrophobicContact CH2-CG 3.85Å; W176-Q478 HydrophobicContact CZ2-CG 4.33Å; T474-Q478 HydrophobicContact CG2-CG 4.27Å; T474-Q478 WeakPolarHBondContact O-CB 3.4Å; T474-Q478 VanDerWaalsContact O-CG 3.27Å; T474-Q478 WeakPolarHBondContact O-CG 3.5Å; T474-Q478 PolarHBondContact O-N 3.4Å; Q478-F480 PolarHBondContact O-N 2.84Å; Q478-L481 WeakPolarHBondContact O-CB 3.4Å; Q478-L481 PolarHBondContact O-N 3Å; Q478-L481 VanDerWaalsContact O-N 3.12Å |
| 479 | N | 83.9 | Confident | 80.7 | Confident | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -57.5 | -33.3 | 174.1 | -66 | -67 | 0 | 0 | 0 | 112.7 | P475 Y476 L477 L481 N482 F494 F562 | P475-N479 PolarHBondContact O-ND2 2.86Å; Y476-N479 WeakPolarHBondContact O-CB 3.4Å; Y476-N479 PolarHBondContact O-N 2.62Å; Y476-N479 PolarHBondContact O-ND2 3.24Å; L477-N479 PolarHBondContact O-N 3.31Å; N479-L481 PolarHBondContact O-N 3.42Å; N479-N482 WeakPolarHBondContact O-CB 3.41Å; N479-N482 PolarHBondContact O-N 2.87Å; N479-N482 VanDerWaalsContact O-N 3.14Å; N479-F494 HydrophobicContact CB-CE1 4.23Å; N479-F494 HydrophobicContact CB-CZ 4.15Å; N479-F562 HydrophobicContact CB-CZ 4.15Å |
| 480 | F | 81.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -79.9 | 0.8 | -177.9 | -60.9 | -90.1 | 0 | 0 | 0 | 113.8 | W174 Y476 L477 Q478 L485 R491 F494 L495 L524 T540 | W174-F480 HydrophobicContact CH2-CB 4.44Å; W174-F480 HydrophobicContact CZ2-CB 4.34Å; Y476-F480 HydrophobicContact CD1-CE2 4.16Å; Y476-F480 AromaticContact CE1-CE2 3.78Å; Y476-F480 HydrophobicContact CE1-CE2 3.78Å; Y476-F480 HydrophobicContact CE1-CZ 4.18Å; L477-F480 HydrophobicContact CD2-CD2 4.32Å; L477-F480 HydrophobicContact CD2-CE2 4.47Å; L477-F480 PolarHBondContact O-N 3.4Å; Q478-F480 PolarHBondContact O-N 2.84Å; F480-L485 HydrophobicContact CD1-CD1 4.08Å; F480-L485 HydrophobicContact CE1-CD1 4.4Å; F480-R491 HydrophobicContact CD1-CB 4.15Å; F480-R491 HydrophobicContact CD1-CG 4.04Å; F480-R491 HydrophobicContact CE1-CB 4.27Å; F480-F494 AromaticContact CE1-CD1 3.71Å; F480-F494 HydrophobicContact CE1-CD1 3.71Å; F480-F494 HydrophobicContact CE1-CE1 4.38Å; F480-F494 HydrophobicContact CE2-CD1 4.2Å; F480-F494 HydrophobicContact CE2-CE1 4.07Å; F480-F494 AromaticContact CZ-CD1 3.46Å; F480-F494 HydrophobicContact CZ-CD1 3.46Å; F480-F494 VanDerWaalsContact CZ-CD1 3.46Å; F480-F494 AromaticContact CZ-CE1 3.79Å; F480-F494 HydrophobicContact CZ-CE1 3.79Å; F480-L495 HydrophobicContact CE1-CD1 4.12Å; F480-L495 HydrophobicContact CE1-CD2 4.13Å; F480-L495 HydrophobicContact CE1-CG 3.74Å; F480-L495 HydrophobicContact CE2-CD2 4.49Å; F480-L495 HydrophobicContact CZ-CD1 4.41Å; F480-L495 HydrophobicContact CZ-CD2 3.59Å; F480-L495 HydrophobicContact CZ-CG 3.67Å; F480-L524 HydrophobicContact CD1-CD2 4.12Å; F480-L524 HydrophobicContact CD2-CD2 4.12Å; F480-L524 HydrophobicContact CE1-CD2 4.01Å; F480-L524 HydrophobicContact CE2-CD2 4.01Å; F480-L524 HydrophobicContact CG-CD2 4.16Å; F480-L524 HydrophobicContact CZ-CD2 3.93Å; F480-T540 WeakPolarHBondContact O-CG2 3.43Å |
| 481 | L | 76.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -85.4 | -13.8 | 165.3 | -57.3 | 179.7 | 0 | 0 | 0 | 112.6 | W174 W176 Q478 N479 P541 T543 | W174-L481 HydrophobicContact CZ2-CD2 4.16Å; W176-L481 HydrophobicContact CD2-CD2 4.47Å; W176-L481 HydrophobicContact CG-CD2 4.43Å; W176-L481 HydrophobicContact CZ2-CD1 3.68Å; W176-L481 HydrophobicContact CZ2-CG 4.42Å; Q478-L481 WeakPolarHBondContact O-CB 3.4Å; Q478-L481 PolarHBondContact O-N 3Å; Q478-L481 VanDerWaalsContact O-N 3.12Å; N479-L481 PolarHBondContact O-N 3.42Å; L481-P541 HydrophobicContact CD2-CG 4.41Å; L481-T543 HydrophobicContact CD1-CG2 4.14Å; L481-T543 HydrophobicContact CD2-CG2 4.02Å |
| 482 | N | 72 | Confident | 79.7 | Confident | 26 Ų | 26 | 26.1 Ų | 26.1 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -67.9 | 130.7 | -177.1 | -172.3 | -58.3 | 0 | 0 | 0 | 111.2 | N479 I484 L485 | N479-N482 WeakPolarHBondContact O-CB 3.41Å; N479-N482 PolarHBondContact O-N 2.87Å; N479-N482 VanDerWaalsContact O-N 3.14Å; N482-I484 PolarHBondContact O-N 3.04Å; N482-I484 VanDerWaalsContact OD1-CB 3.3Å; N482-I484 WeakPolarHBondContact OD1-CB 3.44Å; N482-I484 VanDerWaalsContact OD1-CG1 3.26Å; N482-I484 WeakPolarHBondContact OD1-CG1 3.47Å; N482-I484 PolarHBondContact OD1-N 3.08Å; N482-L485 PolarHBondContact O-N 2.79Å |
| 483 | P | 68.4 | Low | 79.6 | Confident | 77 Ų | 77 | 25.6 Ų | 25.6 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -48.6 | -28.1 | 177.5 | -33.3 | 37.9 | 0 | 0 | 0 | 116.5 | L485 N486 | P483-L485 PolarHBondContact O-N 3.35Å; P483-N486 WeakPolarHBondContact CA-OD1 3.39Å; P483-N486 WeakPolarHBondContact O-CB 3.3Å; P483-N486 PolarHBondContact O-N 2.8Å; P483-N486 PolarHBondContact O-OD1 3.08Å |
| 484 | I | 69.5 | Low | 79.4 | Confident | 53 Ų | 53 | 25.9 Ų | 25.9 | 27% | 0.272 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -65.3 | -28.6 | 177.2 | -61.5 | 167.5 | 0 | 0 | 0 | 111.7 | N482 I565 | N482-I484 PolarHBondContact O-N 3.04Å; N482-I484 VanDerWaalsContact OD1-CB 3.3Å; N482-I484 WeakPolarHBondContact OD1-CB 3.44Å; N482-I484 VanDerWaalsContact OD1-CG1 3.26Å; N482-I484 WeakPolarHBondContact OD1-CG1 3.47Å; N482-I484 PolarHBondContact OD1-N 3.08Å; I484-I565 HydrophobicContact CG2-CG2 4.5Å |
| 485 | L | 73.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -98 | 24.8 | 178.5 | -58.6 | -170.8 | 0 | 0 | 0 | 112.4 | F480 N482 P483 R491 F494 F562 I565 | F480-L485 HydrophobicContact CD1-CD1 4.08Å; F480-L485 HydrophobicContact CE1-CD1 4.4Å; N482-L485 PolarHBondContact O-N 2.79Å; P483-L485 PolarHBondContact O-N 3.35Å; L485-R491 HydrophobicContact CB-CG 4.23Å; L485-R491 WeakPolarHBondContact O-CG 3.32Å; L485-R491 PolarHBondContact O-NE 2.89Å; L485-R491 PolarHBondContact O-NH2 3.33Å; L485-F494 HydrophobicContact CD1-CB 4.15Å; L485-F494 HydrophobicContact CD1-CD1 4.01Å; L485-F494 HydrophobicContact CD1-CD2 4.16Å; L485-F494 HydrophobicContact CD1-CE1 4.46Å; L485-F494 HydrophobicContact CD1-CG 3.84Å; L485-F494 HydrophobicContact CD2-CB 4.01Å; L485-F494 HydrophobicContact CD2-CG 4.37Å; L485-F562 HydrophobicContact CD1-CE1 3.97Å; L485-F562 HydrophobicContact CD1-CZ 4.37Å; L485-F562 HydrophobicContact CD2-CE1 4.36Å; L485-F562 HydrophobicContact CG-CE1 4.07Å; L485-I565 HydrophobicContact CD2-CD1 4.25Å |
| 486 | N | 66.6 | Low | 79.4 | Confident | 62 Ų | 62 | 26.9 Ų | 26.9 | 33% | 0.332 | 15% | 0.147 | S | C | . | . | trans | -69.5 | -32.4 | 177.2 | -76.5 | 12.1 | 0 | 0 | 0 | 113.8 | P483 R491 T540 | P483-N486 WeakPolarHBondContact CA-OD1 3.39Å; P483-N486 WeakPolarHBondContact O-CB 3.3Å; P483-N486 PolarHBondContact O-N 2.8Å; P483-N486 PolarHBondContact O-OD1 3.08Å; N486-R491 PolarHBondContact O-NH2 3.34Å; N486-T540 VanDerWaalsContact CA-OG1 3.25Å; N486-T540 WeakPolarHBondContact CA-OG1 3.36Å; N486-T540 WeakPolarHBondContact CB-OG1 3.31Å; N486-T540 WeakPolarHBondContact OD1-CB 3.4Å; N486-T540 VanDerWaalsContact OD1-CG2 3.27Å; N486-T540 WeakPolarHBondContact OD1-CG2 3.41Å; N486-T540 PolarHBondContact OD1-OG1 3.49Å | ||
| 487 | S | 68.6 | Low | 79.3 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 34% | 0.343 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -77.7 | 145.2 | 179.7 | 82.3 | 0 | 0 | 0 | 0 | 111.9 | D489 S490 R491 | S487-D489 VanDerWaalsContact C-N 3.31Å; S487-D489 PolarHBondContact O-N 2.96Å; S487-S490 PolarHBondContact O-N 2.73Å; S487-S490 WeakPolarHBondContact OG-CB 3.3Å; S487-S490 PolarHBondContact OG-N 3.3Å; S487-S490 PolarHBondContact OG-OG 3.07Å; S487-R491 PolarHBondContact O-N 2.68Å; S487-R491 VanDerWaalsContact O-N 3.16Å |
| 488 | P | 76 | Confident | 79.3 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 178 | 21.9 | -33.5 | 0 | 0 | 0 | 112.1 | R491 I492 V528 L584 | P488-R491 PolarHBondContact O-N 3.2Å; P488-I492 PolarHBondContact O-N 2.9Å; P488-I492 VanDerWaalsContact O-N 3.09Å; P488-V528 HydrophobicContact CB-CG1 3.37Å; P488-L584 HydrophobicContact CB-CB 4.12Å; P488-L584 HydrophobicContact CB-CD1 4.06Å |
| 489 | D | 79.1 | Confident | 79.4 | Confident | 39 Ų | 39 | 28.5 Ų | 28.5 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.5 | -35.2 | 178.4 | -72.1 | -83.8 | 0 | 0 | 0 | 113.1 | S487 S493 L584 S585 G588 | S487-D489 VanDerWaalsContact C-N 3.31Å; S487-D489 PolarHBondContact O-N 2.96Å; D489-S493 WeakPolarHBondContact O-CB 3.39Å; D489-S493 PolarHBondContact O-N 3.19Å; D489-S493 PolarHBondContact O-OG 3.08Å; D489-L584 HydrophobicContact CB-CD1 4.5Å; D489-S585 VanDerWaalsContact OD1-CB 3.28Å; D489-S585 WeakPolarHBondContact OD1-CB 3.44Å; D489-S585 PolarHBondContact OD1-N 3.29Å; D489-S585 PolarHBondContact OD1-OG 3.18Å; D489-S585 PolarHBondContact OD2-N 3.01Å; D489-G588 VanDerWaalsContact OD1-CA 3.28Å; D489-G588 WeakPolarHBondContact OD1-CA 3.43Å |
| 490 | S | 78.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 172.9 | -76 | 0 | 0 | 0 | 0 | 111.5 | S487 S493 F494 | S487-S490 PolarHBondContact O-N 2.73Å; S487-S490 WeakPolarHBondContact OG-CB 3.3Å; S487-S490 PolarHBondContact OG-N 3.3Å; S487-S490 PolarHBondContact OG-OG 3.07Å; S490-S493 PolarHBondContact O-N 2.84Å; S490-F494 WeakPolarHBondContact O-CB 3.08Å; S490-F494 PolarHBondContact O-N 3.37Å |
| 491 | R | 82.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 177.7 | -63.4 | -160.3 | -161.3 | 84.5 | 19 | 111.9 | F480 L485 N486 S487 P488 S493 F494 L495 Q539 T540 | F480-R491 HydrophobicContact CD1-CB 4.15Å; F480-R491 HydrophobicContact CD1-CG 4.04Å; F480-R491 HydrophobicContact CE1-CB 4.27Å; L485-R491 HydrophobicContact CB-CG 4.23Å; L485-R491 WeakPolarHBondContact O-CG 3.32Å; L485-R491 PolarHBondContact O-NE 2.89Å; L485-R491 PolarHBondContact O-NH2 3.33Å; N486-R491 PolarHBondContact O-NH2 3.34Å; S487-R491 PolarHBondContact O-N 2.68Å; S487-R491 VanDerWaalsContact O-N 3.16Å; P488-R491 PolarHBondContact O-N 3.2Å; R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 3.42Å; R491-F494 PolarHBondContact O-N 3.05Å; R491-L495 WeakPolarHBondContact O-CB 3.47Å; R491-L495 WeakPolarHBondContact O-CD1 3.5Å; R491-L495 WeakPolarHBondContact O-CG 3.34Å; R491-L495 PolarHBondContact O-N 3.08Å; R491-Q539 VanDerWaalsContact NH2-C 3.29Å; R491-T540 VanDerWaalsContact NH2-N 3.16Å; R491-T540 PolarHBondContact NH2-OG1 3.31Å |
| 492 | I | 86.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -32.7 | -178.3 | -67.4 | -67.8 | 0 | 0 | 0 | 111.6 | P488 L495 K496 I525 V528 L584 G588 N591 A592 | P488-I492 PolarHBondContact O-N 2.9Å; P488-I492 VanDerWaalsContact O-N 3.09Å; I492-L495 HydrophobicContact CD1-CD1 3.99Å; I492-K496 WeakPolarHBondContact O-CB 3.29Å; I492-K496 PolarHBondContact O-N 3.39Å; I492-I525 HydrophobicContact CD1-CG2 4.07Å; I492-V528 HydrophobicContact CD1-CB 4.15Å; I492-V528 HydrophobicContact CD1-CG1 4.3Å; I492-V528 HydrophobicContact CG1-CB 4.05Å; I492-V528 HydrophobicContact CG1-CG1 3.65Å; I492-V528 HydrophobicContact CG1-CG2 4.47Å; I492-L584 HydrophobicContact CB-CD1 4.19Å; I492-L584 HydrophobicContact CG1-CD1 3.94Å; I492-G588 WeakPolarHBondContact CG2-O 3.46Å; I492-N591 HydrophobicContact CG2-CB 3.45Å; I492-N591 VanDerWaalsContact CG2-CB 3.45Å; I492-A592 HydrophobicContact CD1-CB 3.95Å; I492-A592 HydrophobicContact CG1-CB 4.45Å; I492-A592 HydrophobicContact CG2-CB 4.12Å |
| 493 | S | 84.1 | Confident | 80.8 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69 | -42.6 | 172.8 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | D489 S490 R491 K496 L497 | D489-S493 WeakPolarHBondContact O-CB 3.39Å; D489-S493 PolarHBondContact O-N 3.19Å; D489-S493 PolarHBondContact O-OG 3.08Å; S490-S493 PolarHBondContact O-N 2.84Å; R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 3.42Å; S493-K496 PolarHBondContact O-N 2.91Å; S493-L497 WeakPolarHBondContact O-CB 3.46Å; S493-L497 VanDerWaalsContact O-CG 3.27Å; S493-L497 WeakPolarHBondContact O-CG 3.43Å; S493-L497 PolarHBondContact O-N 2.93Å |
| 494 | F | 85.6 | Confident | 81.5 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.3 | -178.4 | -92.2 | 0 | 0 | 0 | 111.8 | Y476 N479 F480 L485 S490 R491 L497 T498 P561 F562 I565 | Y476-F494 HydrophobicContact CE2-CE1 4.1Å; N479-F494 HydrophobicContact CB-CE1 4.23Å; N479-F494 HydrophobicContact CB-CZ 4.15Å; F480-F494 AromaticContact CE1-CD1 3.71Å; F480-F494 HydrophobicContact CE1-CD1 3.71Å; F480-F494 HydrophobicContact CE1-CE1 4.38Å; F480-F494 HydrophobicContact CE2-CD1 4.2Å; F480-F494 HydrophobicContact CE2-CE1 4.07Å; F480-F494 AromaticContact CZ-CD1 3.46Å; F480-F494 HydrophobicContact CZ-CD1 3.46Å; F480-F494 VanDerWaalsContact CZ-CD1 3.46Å; F480-F494 AromaticContact CZ-CE1 3.79Å; F480-F494 HydrophobicContact CZ-CE1 3.79Å; L485-F494 HydrophobicContact CD1-CB 4.15Å; L485-F494 HydrophobicContact CD1-CD1 4.01Å; L485-F494 HydrophobicContact CD1-CD2 4.16Å; L485-F494 HydrophobicContact CD1-CE1 4.46Å; L485-F494 HydrophobicContact CD1-CG 3.84Å; L485-F494 HydrophobicContact CD2-CB 4.01Å; L485-F494 HydrophobicContact CD2-CG 4.37Å; S490-F494 WeakPolarHBondContact O-CB 3.08Å; S490-F494 PolarHBondContact O-N 3.37Å; R491-F494 PolarHBondContact O-N 3.05Å; F494-L497 PolarHBondContact O-N 2.78Å; F494-T498 HydrophobicContact CD2-CG2 4.47Å; F494-T498 HydrophobicContact CE1-CG2 4.22Å; F494-T498 HydrophobicContact CE2-CG2 4.14Å; F494-T498 HydrophobicContact CZ-CG2 4.01Å; F494-T498 WeakPolarHBondContact O-CB 3.27Å; F494-T498 WeakPolarHBondContact O-CG2 3.4Å; F494-T498 PolarHBondContact O-N 3.24Å; F494-T498 VanDerWaalsContact O-N 3.08Å; F494-T498 PolarHBondContact O-OG1 3.32Å; F494-P561 HydrophobicContact CD2-CB 4.3Å; F494-P561 HydrophobicContact CE2-CB 4.31Å; F494-P561 HydrophobicContact CE2-CG 4.03Å; F494-F562 HydrophobicContact CD2-CE1 4.27Å; F494-F562 HydrophobicContact CD2-CZ 4.23Å; F494-F562 HydrophobicContact CE2-CD1 4.44Å; F494-F562 HydrophobicContact CE2-CD2 4.02Å; F494-F562 AromaticContact CE2-CE1 3.99Å; F494-F562 HydrophobicContact CE2-CE1 3.99Å; F494-F562 AromaticContact CE2-CE2 3.52Å; F494-F562 HydrophobicContact CE2-CE2 3.52Å; F494-F562 HydrophobicContact CE2-CG 4.46Å; F494-F562 AromaticContact CE2-CZ 3.51Å; F494-F562 HydrophobicContact CE2-CZ 3.51Å; F494-F562 AromaticContact CZ-CE2 3.99Å; F494-F562 HydrophobicContact CZ-CE2 3.99Å; F494-F562 AromaticContact CZ-CZ 3.91Å; F494-F562 HydrophobicContact CZ-CZ 3.91Å; F494-I565 HydrophobicContact CB-CD1 3.77Å; F494-I565 HydrophobicContact CD2-CD1 4Å; F494-I565 HydrophobicContact CG-CD1 4.39Å |
| 495 | L | 87.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -55.9 | 171.9 | -76.4 | 158.3 | 0 | 0 | 0 | 110.2 | Y476 F480 R491 I492 L497 T498 M499 L524 I525 | Y476-L495 HydrophobicContact CE1-CD2 4.35Å; F480-L495 HydrophobicContact CE1-CD1 4.12Å; F480-L495 HydrophobicContact CE1-CD2 4.13Å; F480-L495 HydrophobicContact CE1-CG 3.74Å; F480-L495 HydrophobicContact CE2-CD2 4.49Å; F480-L495 HydrophobicContact CZ-CD1 4.41Å; F480-L495 HydrophobicContact CZ-CD2 3.59Å; F480-L495 HydrophobicContact CZ-CG 3.67Å; R491-L495 WeakPolarHBondContact O-CB 3.47Å; R491-L495 WeakPolarHBondContact O-CD1 3.5Å; R491-L495 WeakPolarHBondContact O-CG 3.34Å; R491-L495 PolarHBondContact O-N 3.08Å; I492-L495 HydrophobicContact CD1-CD1 3.99Å; L495-L497 PolarHBondContact O-N 3.35Å; L495-L497 VanDerWaalsContact O-N 3.13Å; L495-T498 PolarHBondContact O-N 2.71Å; L495-M499 HydrophobicContact CB-CE 4.16Å; L495-M499 HydrophobicContact CD2-CE 3.43Å; L495-M499 VanDerWaalsContact CD2-CE 3.43Å; L495-M499 HydrophobicContact CG-CE 4.39Å; L495-M499 VanDerWaalsContact O-CB 3.24Å; L495-M499 WeakPolarHBondContact O-CB 3.35Å; L495-M499 PolarHBondContact O-N 2.72Å; L495-L524 HydrophobicContact CD1-CD2 4.1Å; L495-L524 HydrophobicContact CD1-CG 4.14Å; L495-L524 HydrophobicContact CD2-CD2 4.02Å; L495-I525 HydrophobicContact CD1-CG1 4.3Å |
| 496 | K | 86.8 | Confident | 82.6 | Confident | 90 Ų | 90 | 39.6 Ų | 39.6 | 39% | 0.391 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.7 | -28.7 | -179.4 | -175.2 | 177.9 | 177.1 | -168.4 | 0 | 114.1 | I492 S493 N591 | I492-K496 WeakPolarHBondContact O-CB 3.29Å; I492-K496 PolarHBondContact O-N 3.39Å; S493-K496 PolarHBondContact O-N 2.91Å; K496-N591 HydrophobicContact CD-CB 3.82Å; K496-N591 VanDerWaalsContact CD-OD1 3.25Å; K496-N591 WeakPolarHBondContact CD-OD1 3.32Å; K496-N591 WeakPolarHBondContact CE-OD1 3.47Å; K496-N591 PolarHBondContact NZ-OD1 3.43Å |
| 497 | L | 86.6 | Confident | 83.2 | Confident | 81 Ų | 81 | 40 Ų | 40 | 42% | 0.424 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.3 | -21.2 | 176.6 | -71.7 | 168.5 | 0 | 0 | 0 | 113.7 | S493 F494 L495 P561 L564 I565 | S493-L497 WeakPolarHBondContact O-CB 3.46Å; S493-L497 VanDerWaalsContact O-CG 3.27Å; S493-L497 WeakPolarHBondContact O-CG 3.43Å; S493-L497 PolarHBondContact O-N 2.93Å; F494-L497 PolarHBondContact O-N 2.78Å; L495-L497 PolarHBondContact O-N 3.35Å; L495-L497 VanDerWaalsContact O-N 3.13Å; L497-P561 HydrophobicContact CB-CB 4.37Å; L497-P561 HydrophobicContact CD1-CB 4.42Å; L497-L564 HydrophobicContact CD1-CD2 4.01Å; L497-L564 HydrophobicContact CD2-CD2 4.02Å; L497-I565 HydrophobicContact CD1-CG1 4.35Å |
| 498 | T | 88 | Confident | 83.5 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -118.2 | -18.3 | -172 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | Y476 F494 L495 T500 N501 F502 P561 | Y476-T498 PolarHBondContact OH-OG1 3.48Å; F494-T498 HydrophobicContact CD2-CG2 4.47Å; F494-T498 HydrophobicContact CE1-CG2 4.22Å; F494-T498 HydrophobicContact CE2-CG2 4.14Å; F494-T498 HydrophobicContact CZ-CG2 4.01Å; F494-T498 WeakPolarHBondContact O-CB 3.27Å; F494-T498 WeakPolarHBondContact O-CG2 3.4Å; F494-T498 PolarHBondContact O-N 3.24Å; F494-T498 VanDerWaalsContact O-N 3.08Å; F494-T498 PolarHBondContact O-OG1 3.32Å; L495-T498 PolarHBondContact O-N 2.71Å; T498-T500 PolarHBondContact O-N 3.42Å; T498-N501 PolarHBondContact O-N 2.99Å; T498-F502 WeakPolarHBondContact O-CB 3.33Å; T498-F502 PolarHBondContact O-N 2.72Å; T498-P561 HydrophobicContact CG2-CB 4.26Å; T498-P561 HydrophobicContact CG2-CG 4.02Å |
| 499 | M | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.4 | -57 | -172.2 | -171 | 58.6 | 58 | 0 | 0 | 112.6 | L495 N501 F502 L503 I521 E598 I599 | L495-M499 HydrophobicContact CB-CE 4.16Å; L495-M499 HydrophobicContact CD2-CE 3.43Å; L495-M499 VanDerWaalsContact CD2-CE 3.43Å; L495-M499 HydrophobicContact CG-CE 4.39Å; L495-M499 VanDerWaalsContact O-CB 3.24Å; L495-M499 WeakPolarHBondContact O-CB 3.35Å; L495-M499 PolarHBondContact O-N 2.72Å; M499-N501 VanDerWaalsContact C-N 3.29Å; M499-N501 PolarHBondContact O-N 2.77Å; M499-F502 PolarHBondContact O-N 2.91Å; M499-F502 VanDerWaalsContact O-N 3.12Å; M499-L503 HydrophobicContact CG-CD1 3.73Å; M499-L503 HydrophobicContact CG-CG 4.19Å; M499-L503 WeakPolarHBondContact O-CB 3.32Å; M499-L503 WeakPolarHBondContact O-CG 3.44Å; M499-L503 PolarHBondContact O-N 2.93Å; M499-L503 HydrophobicContact SD-CD1 3.86Å; M499-L503 HydrophobicContact SD-CD2 4.26Å; M499-L503 HydrophobicContact SD-CG 3.88Å; M499-I521 HydrophobicContact CE-CD1 4.25Å; M499-I521 HydrophobicContact CE-CG2 3.5Å; M499-I521 HydrophobicContact SD-CD1 4.07Å; M499-I521 HydrophobicContact SD-CG2 4.01Å; M499-E598 HydrophobicContact CG-CG 4.39Å; M499-E598 VanDerWaalsContact CG-OE2 3.29Å; M499-E598 WeakPolarHBondContact CG-OE2 3.15Å; M499-I599 HydrophobicContact SD-CG2 3.91Å |
| 500 | T | 84.5 | Confident | 83.3 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | -177 | -42.5 | 0 | 0 | 0 | 0 | 111.8 | T498 Q504 E598 | T498-T500 PolarHBondContact O-N 3.42Å; T500-Q504 VanDerWaalsContact O-CB 3.29Å; T500-Q504 WeakPolarHBondContact O-CB 3.29Å; T500-Q504 PolarHBondContact O-N 2.97Å; T500-E598 VanDerWaalsContact CA-OE1 3.25Å; T500-E598 WeakPolarHBondContact CA-OE1 3.43Å; T500-E598 VanDerWaalsContact CB-OE1 3.24Å; T500-E598 WeakPolarHBondContact CB-OE1 3.47Å; T500-E598 PolarHBondContact OG1-OE1 2.67Å |
| 501 | N | 84.6 | Confident | 83.3 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 179.2 | -64.1 | -10.5 | 0 | 0 | 0 | 111.6 | T498 M499 Q504 Q505 | T498-N501 PolarHBondContact O-N 2.99Å; M499-N501 VanDerWaalsContact C-N 3.29Å; M499-N501 PolarHBondContact O-N 2.77Å; N501-Q504 PolarHBondContact O-N 3.28Å; N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.24Å |
| 502 | F | 86.9 | Confident | 83.3 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 179.1 | -177.5 | -107.5 | 0 | 0 | 0 | 112.3 | H472 L473 Y476 T498 M499 Q504 Q505 V506 V517 I521 | H472-F502 HydrophobicContact CB-CE2 3.84Å; H472-F502 HydrophobicContact CB-CZ 4.07Å; L473-F502 HydrophobicContact CD1-CZ 4.42Å; Y476-F502 AromaticContact CD1-CD1 3.98Å; Y476-F502 HydrophobicContact CD1-CD1 3.98Å; Y476-F502 HydrophobicContact CD1-CD2 4.28Å; Y476-F502 AromaticContact CD1-CE1 3.79Å; Y476-F502 HydrophobicContact CD1-CE1 3.79Å; Y476-F502 HydrophobicContact CD1-CE2 4.11Å; Y476-F502 HydrophobicContact CD1-CG 4.22Å; Y476-F502 AromaticContact CD1-CZ 3.87Å; Y476-F502 HydrophobicContact CD1-CZ 3.87Å; Y476-F502 HydrophobicContact CD2-CB 4.5Å; Y476-F502 AromaticContact CD2-CD2 3.68Å; Y476-F502 HydrophobicContact CD2-CD2 3.68Å; Y476-F502 HydrophobicContact CD2-CE2 4.01Å; Y476-F502 AromaticContact CD2-CG 4Å; Y476-F502 HydrophobicContact CD2-CG 4Å; Y476-F502 HydrophobicContact CE1-CD1 4.03Å; Y476-F502 HydrophobicContact CE1-CE1 4.24Å; Y476-F502 HydrophobicContact CE1-CG 4.3Å; Y476-F502 HydrophobicContact CE2-CB 4.2Å; Y476-F502 HydrophobicContact CE2-CD2 4.23Å; Y476-F502 HydrophobicContact CE2-CG 4.09Å; Y476-F502 HydrophobicContact CG-CD1 4.26Å; Y476-F502 AromaticContact CG-CD2 3.72Å; Y476-F502 HydrophobicContact CG-CD2 3.72Å; Y476-F502 HydrophobicContact CG-CE1 4.13Å; Y476-F502 AromaticContact CG-CE2 3.57Å; Y476-F502 HydrophobicContact CG-CE2 3.57Å; Y476-F502 HydrophobicContact CG-CG 4.07Å; Y476-F502 AromaticContact CG-CZ 3.79Å; Y476-F502 HydrophobicContact CG-CZ 3.79Å; T498-F502 WeakPolarHBondContact O-CB 3.33Å; T498-F502 PolarHBondContact O-N 2.72Å; M499-F502 PolarHBondContact O-N 2.91Å; M499-F502 VanDerWaalsContact O-N 3.12Å; F502-Q504 VanDerWaalsContact C-N 3.28Å; F502-Q504 PolarHBondContact O-N 3.43Å; F502-Q505 PolarHBondContact O-N 2.82Å; F502-V506 HydrophobicContact CD1-CG2 4.44Å; F502-V506 HydrophobicContact CE1-CG2 4.01Å; F502-V506 HydrophobicContact CE2-CG2 4.2Å; F502-V506 HydrophobicContact CZ-CG2 3.88Å; F502-V506 WeakPolarHBondContact O-CG2 3.48Å; F502-V506 PolarHBondContact O-N 3.39Å; F502-V517 HydrophobicContact CD1-CG1 4.39Å; F502-V517 HydrophobicContact CE1-CG1 3.62Å; F502-V517 HydrophobicContact CZ-CG1 4.45Å; F502-I521 HydrophobicContact CD1-CD1 3.81Å; F502-I521 HydrophobicContact CE1-CD1 3.73Å |
| 503 | L | 86.3 | Confident | 83.2 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 174 | -66.8 | 176.5 | 0 | 0 | 0 | 111.3 | M499 V506 T507 L514 E598 I599 | M499-L503 HydrophobicContact CG-CD1 3.73Å; M499-L503 HydrophobicContact CG-CG 4.19Å; M499-L503 WeakPolarHBondContact O-CB 3.32Å; M499-L503 WeakPolarHBondContact O-CG 3.44Å; M499-L503 PolarHBondContact O-N 2.93Å; M499-L503 HydrophobicContact SD-CD1 3.86Å; M499-L503 HydrophobicContact SD-CD2 4.26Å; M499-L503 HydrophobicContact SD-CG 3.88Å; L503-V506 PolarHBondContact O-N 3.25Å; L503-T507 WeakPolarHBondContact O-CB 3.17Å; L503-T507 PolarHBondContact O-N 2.89Å; L503-T507 PolarHBondContact O-OG1 3.25Å; L503-L514 HydrophobicContact CB-CD1 4.31Å; L503-L514 HydrophobicContact CD2-CD1 3.88Å; L503-E598 HydrophobicContact CD1-CG 3.97Å; L503-I599 HydrophobicContact CD1-CG2 4.12Å; L503-I599 HydrophobicContact CD2-CG2 4.49Å |
| 504 | Q | 83.7 | Confident | 83.4 | Confident | 130 Ų | 130 | 57.8 Ų | 57.8 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 174.1 | -172.9 | 172.5 | -2 | 0 | 0 | 111.6 | T500 N501 F502 V506 T507 | T500-Q504 VanDerWaalsContact O-CB 3.29Å; T500-Q504 WeakPolarHBondContact O-CB 3.29Å; T500-Q504 PolarHBondContact O-N 2.97Å; N501-Q504 PolarHBondContact O-N 3.28Å; F502-Q504 VanDerWaalsContact C-N 3.28Å; F502-Q504 PolarHBondContact O-N 3.43Å; Q504-V506 VanDerWaalsContact C-N 3.32Å; Q504-V506 PolarHBondContact O-N 2.87Å; Q504-T507 WeakPolarHBondContact O-CB 3.28Å; Q504-T507 PolarHBondContact O-N 3.32Å |
| 505 | Q | 83 | Confident | 83.4 | Confident | 112 Ų | 112 | 59 Ų | 59 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 175.6 | -70.8 | 170 | 10.2 | 0 | 0 | 113.1 | N501 F502 | N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.24Å; F502-Q505 PolarHBondContact O-N 2.82Å |
| 506 | V | 84.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.8 | -27.3 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | V468 H472 F502 L503 Q504 D508 S509 L514 V517 | V468-V506 HydrophobicContact CG1-CG1 4.2Å; V468-V506 HydrophobicContact CG1-CG2 4.32Å; H472-V506 HydrophobicContact CB-CG2 4.03Å; F502-V506 HydrophobicContact CD1-CG2 4.44Å; F502-V506 HydrophobicContact CE1-CG2 4.01Å; F502-V506 HydrophobicContact CE2-CG2 4.2Å; F502-V506 HydrophobicContact CZ-CG2 3.88Å; F502-V506 WeakPolarHBondContact O-CG2 3.48Å; F502-V506 PolarHBondContact O-N 3.39Å; L503-V506 PolarHBondContact O-N 3.25Å; Q504-V506 VanDerWaalsContact C-N 3.32Å; Q504-V506 PolarHBondContact O-N 2.87Å; V506-D508 VanDerWaalsContact C-N 3.27Å; V506-D508 PolarHBondContact O-N 3.16Å; V506-S509 WeakPolarHBondContact O-CA 3.24Å; V506-S509 WeakPolarHBondContact O-CB 3.25Å; V506-S509 PolarHBondContact O-N 3.04Å; V506-L514 HydrophobicContact CB-CD1 4.1Å; V506-L514 HydrophobicContact CG1-CB 4.2Å; V506-L514 HydrophobicContact CG1-CD1 3.82Å; V506-V517 HydrophobicContact CG1-CB 4.15Å; V506-V517 HydrophobicContact CG1-CG1 4.42Å; V506-V517 HydrophobicContact CG1-CG2 3.91Å; V506-V517 HydrophobicContact CG2-CG1 4.44Å; V506-V517 HydrophobicContact CG2-CG2 4.39Å |
| 507 | T | 79.2 | Confident | 83.6 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | L503 Q504 S509 G510 L514 | L503-T507 WeakPolarHBondContact O-CB 3.17Å; L503-T507 PolarHBondContact O-N 2.89Å; L503-T507 PolarHBondContact O-OG1 3.25Å; Q504-T507 WeakPolarHBondContact O-CB 3.28Å; Q504-T507 PolarHBondContact O-N 3.32Å; T507-S509 PolarHBondContact O-N 2.93Å; T507-G510 PolarHBondContact O-N 3.07Å; T507-L514 HydrophobicContact CG2-CD2 4.39Å; T507-L514 WeakPolarHBondContact OG1-CD2 3.41Å |
| 508 | D | 74 | Confident | 83.7 | Confident | 146 Ų | 146 | 51.4 Ų | 51.4 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.9 | 176 | -63.9 | -24.2 | 0 | 0 | 0 | 113 | V506 | V506-D508 VanDerWaalsContact C-N 3.27Å; V506-D508 PolarHBondContact O-N 3.16Å |
| 509 | S | 73.6 | Confident | 83.8 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.5 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 114.1 | V506 T507 N513 | V506-S509 WeakPolarHBondContact O-CA 3.24Å; V506-S509 WeakPolarHBondContact O-CB 3.25Å; V506-S509 PolarHBondContact O-N 3.04Å; T507-S509 PolarHBondContact O-N 2.93Å; S509-N513 PolarHBondContact O-ND2 3.04Å |
| 510 | G | 78.3 | Confident | 84 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | trans | 100.3 | 158.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T507 E512 N513 L514 | T507-G510 PolarHBondContact O-N 3.07Å; G510-E512 PolarHBondContact O-N 2.93Å; G510-N513 PolarHBondContact O-N 3.05Å; G510-L514 PolarHBondContact O-N 2.76Å; G510-L514 VanDerWaalsContact O-N 3.11Å | ||
| 511 | S | 78.3 | Confident | 84.3 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 69% | 0.692 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.3 | -37.1 | -170.3 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | L514 S515 | S511-L514 PolarHBondContact O-N 3.1Å; S511-S515 PolarHBondContact O-N 3.43Å |
| 512 | E | 81.1 | Confident | 84.5 | Confident | 155 Ų | 155 | 42.5 Ų | 42.5 | 72% | 0.724 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.1 | -51.3 | 177.1 | -64.6 | -175.2 | 166.6 | 0 | 0 | 110.7 | G510 L514 S515 T516 | G510-E512 PolarHBondContact O-N 2.93Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 3.04Å; E512-S515 WeakPolarHBondContact O-CA 3.47Å; E512-S515 WeakPolarHBondContact O-CB 3.38Å; E512-S515 PolarHBondContact O-N 3.4Å; E512-S515 PolarHBondContact O-OG 3.43Å; E512-T516 PolarHBondContact O-N 3.23Å; E512-T516 PolarHBondContact O-OG1 2.68Å |
| 513 | N | 85.4 | Confident | 84.5 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.8 | -42.6 | 175 | -77.5 | -53.4 | 0 | 0 | 0 | 112.2 | P466 V468 S509 G510 S515 T516 V517 | P466-N513 WeakPolarHBondContact CB-OD1 3.25Å; V468-N513 HydrophobicContact CB-CB 4.25Å; V468-N513 HydrophobicContact CG2-CB 3.68Å; V468-N513 VanDerWaalsContact CG2-CG 3.46Å; S509-N513 PolarHBondContact O-ND2 3.04Å; G510-N513 PolarHBondContact O-N 3.05Å; N513-S515 VanDerWaalsContact C-N 3.31Å; N513-S515 PolarHBondContact O-N 2.74Å; N513-T516 PolarHBondContact O-N 3.35Å; N513-V517 WeakPolarHBondContact O-CB 3.28Å; N513-V517 WeakPolarHBondContact O-CG2 3.43Å; N513-V517 PolarHBondContact O-N 3Å |
| 514 | L | 87.1 | Confident | 84.4 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 176.2 | -172.4 | 62.4 | 0 | 0 | 0 | 112.3 | L503 V506 T507 G510 S511 E512 A518 H602 | L503-L514 HydrophobicContact CB-CD1 4.31Å; L503-L514 HydrophobicContact CD2-CD1 3.88Å; V506-L514 HydrophobicContact CB-CD1 4.1Å; V506-L514 HydrophobicContact CG1-CB 4.2Å; V506-L514 HydrophobicContact CG1-CD1 3.82Å; T507-L514 HydrophobicContact CG2-CD2 4.39Å; T507-L514 WeakPolarHBondContact OG1-CD2 3.41Å; G510-L514 PolarHBondContact O-N 2.76Å; G510-L514 VanDerWaalsContact O-N 3.11Å; S511-L514 PolarHBondContact O-N 3.1Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 3.04Å; L514-A518 VanDerWaalsContact O-CB 3.27Å; L514-A518 WeakPolarHBondContact O-CB 3.35Å; L514-A518 PolarHBondContact O-N 3.18Å; L514-H602 VanDerWaalsContact CD2-ND1 3.28Å; L514-H602 WeakPolarHBondContact CD2-ND1 3.49Å; L514-H602 HydrophobicContact CG-CB 4.25Å |
| 515 | S | 86.9 | Confident | 84.6 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 173 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | S511 E512 N513 V517 A518 V519 H602 | S511-S515 PolarHBondContact O-N 3.43Å; E512-S515 WeakPolarHBondContact O-CA 3.47Å; E512-S515 WeakPolarHBondContact O-CB 3.38Å; E512-S515 PolarHBondContact O-N 3.4Å; E512-S515 PolarHBondContact O-OG 3.43Å; N513-S515 VanDerWaalsContact C-N 3.31Å; N513-S515 PolarHBondContact O-N 2.74Å; S515-V517 PolarHBondContact O-N 3.04Å; S515-A518 PolarHBondContact O-N 3.23Å; S515-V519 WeakPolarHBondContact O-CG2 3.37Å; S515-V519 PolarHBondContact O-N 3.09Å; S515-H602 WeakPolarHBondContact CB-O 3.21Å |
| 516 | T | 87.5 | Confident | 84.7 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | E124 P466 F469 E512 N513 V519 I520 | E124-T516 HydrophobicContact CB-CG2 4.09Å; E124-T516 HydrophobicContact CG-CG2 4.16Å; P466-T516 HydrophobicContact CG-CG2 4.44Å; F469-T516 HydrophobicContact CE1-CG2 3.67Å; F469-T516 HydrophobicContact CZ-CG2 4.17Å; E512-T516 PolarHBondContact O-N 3.23Å; E512-T516 PolarHBondContact O-OG1 2.68Å; N513-T516 PolarHBondContact O-N 3.35Å; T516-V519 PolarHBondContact O-N 3.2Å; T516-I520 HydrophobicContact CG2-CD1 4.14Å; T516-I520 WeakPolarHBondContact O-CG1 3.46Å; T516-I520 PolarHBondContact O-N 3.18Å |
| 517 | V | 90 | Very high | 84.3 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 174.4 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | V468 L473 F502 V506 N513 S515 V519 I520 I521 | V468-V517 HydrophobicContact CG1-CG2 3.5Å; L473-V517 HydrophobicContact CD1-CG1 4.41Å; L473-V517 HydrophobicContact CD1-CG2 4.27Å; L473-V517 HydrophobicContact CD2-CG2 4.46Å; F502-V517 HydrophobicContact CD1-CG1 4.39Å; F502-V517 HydrophobicContact CE1-CG1 3.62Å; F502-V517 HydrophobicContact CZ-CG1 4.45Å; V506-V517 HydrophobicContact CG1-CB 4.15Å; V506-V517 HydrophobicContact CG1-CG1 4.42Å; V506-V517 HydrophobicContact CG1-CG2 3.91Å; V506-V517 HydrophobicContact CG2-CG1 4.44Å; V506-V517 HydrophobicContact CG2-CG2 4.39Å; N513-V517 WeakPolarHBondContact O-CB 3.28Å; N513-V517 WeakPolarHBondContact O-CG2 3.43Å; N513-V517 PolarHBondContact O-N 3Å; S515-V517 PolarHBondContact O-N 3.04Å; V517-V519 VanDerWaalsContact C-N 3.29Å; V517-V519 PolarHBondContact O-N 3.28Å; V517-I520 PolarHBondContact O-N 3.12Å; V517-I521 HydrophobicContact CG1-CD1 3.81Å; V517-I521 HydrophobicContact CG1-CG1 4.39Å; V517-I521 WeakPolarHBondContact O-CB 3.28Å; V517-I521 WeakPolarHBondContact O-CG1 3.31Å; V517-I521 PolarHBondContact O-N 3.36Å |
| 518 | A | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L514 S515 C522 I599 H602 M603 | L514-A518 VanDerWaalsContact O-CB 3.27Å; L514-A518 WeakPolarHBondContact O-CB 3.35Å; L514-A518 PolarHBondContact O-N 3.18Å; S515-A518 PolarHBondContact O-N 3.23Å; A518-C522 VanDerWaalsContact O-CB 3.26Å; A518-C522 WeakPolarHBondContact O-CB 3.44Å; A518-C522 PolarHBondContact O-N 3.3Å; A518-I599 HydrophobicContact CB-CB 4.23Å; A518-H602 HydrophobicContact CB-CB 3.86Å; A518-M603 HydrophobicContact CB-CG 3.96Å |
| 519 | V | 88.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | S515 T516 V517 C522 N523 M603 L607 | S515-V519 WeakPolarHBondContact O-CG2 3.37Å; S515-V519 PolarHBondContact O-N 3.09Å; T516-V519 PolarHBondContact O-N 3.2Å; V517-V519 VanDerWaalsContact C-N 3.29Å; V517-V519 PolarHBondContact O-N 3.28Å; V519-C522 VanDerWaalsContact O-CB 3.27Å; V519-C522 WeakPolarHBondContact O-CB 3.49Å; V519-C522 PolarHBondContact O-N 3.45Å; V519-N523 PolarHBondContact O-N 3.05Å; V519-M603 HydrophobicContact CG2-CE 4.35Å; V519-M603 HydrophobicContact CG2-CG 4.48Å; V519-L607 HydrophobicContact CG1-CD1 4.46Å; V519-L607 HydrophobicContact CG2-CD1 3.5Å |
| 520 | I | 90.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -37.9 | -178.7 | -63.6 | 164.1 | 0 | 0 | 0 | 110.8 | W128 F469 L473 L477 T516 V517 C522 N523 L524 | W128-I520 HydrophobicContact CB-CD1 3.8Å; W128-I520 HydrophobicContact CB-CG1 4.42Å; W128-I520 HydrophobicContact CD2-CD1 4.07Å; W128-I520 HydrophobicContact CD2-CG2 4.47Å; W128-I520 HydrophobicContact CE3-CD1 4.41Å; W128-I520 HydrophobicContact CG-CD1 3.78Å; W128-I520 HydrophobicContact CG-CG1 4.3Å; W128-I520 HydrophobicContact CG-CG2 4.37Å; F469-I520 HydrophobicContact CE1-CD1 3.62Å; F469-I520 HydrophobicContact CZ-CD1 4.03Å; L473-I520 HydrophobicContact CD2-CB 4.33Å; L473-I520 HydrophobicContact CD2-CD1 3.55Å; L473-I520 HydrophobicContact CD2-CG2 4.19Å; L477-I520 HydrophobicContact CD1-CG2 3.97Å; T516-I520 HydrophobicContact CG2-CD1 4.14Å; T516-I520 WeakPolarHBondContact O-CG1 3.46Å; T516-I520 PolarHBondContact O-N 3.18Å; V517-I520 PolarHBondContact O-N 3.12Å; I520-C522 VanDerWaalsContact C-N 3.34Å; I520-N523 WeakPolarHBondContact O-CB 3.29Å; I520-N523 PolarHBondContact O-N 2.72Å; I520-L524 PolarHBondContact O-N 3.19Å |
| 521 | I | 90.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 171 | -75.1 | -178.6 | 0 | 0 | 0 | 111.9 | Y476 M499 F502 V517 N523 L524 I525 I599 | Y476-I521 HydrophobicContact CE1-CD1 4.19Å; M499-I521 HydrophobicContact CE-CD1 4.25Å; M499-I521 HydrophobicContact CE-CG2 3.5Å; M499-I521 HydrophobicContact SD-CD1 4.07Å; M499-I521 HydrophobicContact SD-CG2 4.01Å; F502-I521 HydrophobicContact CD1-CD1 3.81Å; F502-I521 HydrophobicContact CE1-CD1 3.73Å; V517-I521 HydrophobicContact CG1-CD1 3.81Å; V517-I521 HydrophobicContact CG1-CG1 4.39Å; V517-I521 WeakPolarHBondContact O-CB 3.28Å; V517-I521 WeakPolarHBondContact O-CG1 3.31Å; V517-I521 PolarHBondContact O-N 3.36Å; I521-N523 VanDerWaalsContact C-N 3.3Å; I521-N523 PolarHBondContact O-N 3.35Å; I521-L524 WeakPolarHBondContact O-CB 3.22Å; I521-L524 PolarHBondContact O-N 2.8Å; I521-L524 VanDerWaalsContact O-N 3.09Å; I521-I525 HydrophobicContact CG2-CD1 3.89Å; I521-I525 HydrophobicContact CG2-CG1 4.41Å; I521-I525 PolarHBondContact O-N 3.26Å; I521-I599 HydrophobicContact CG2-CD1 4.4Å; I521-I599 HydrophobicContact CG2-CG2 4.09Å |
| 522 | C | 89.7 | Confident | 81 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 175 | -162.8 | 0 | 0 | 0 | 0 | 111 | A518 V519 I520 L524 I525 I526 I599 M603 | A518-C522 VanDerWaalsContact O-CB 3.26Å; A518-C522 WeakPolarHBondContact O-CB 3.44Å; A518-C522 PolarHBondContact O-N 3.3Å; V519-C522 VanDerWaalsContact O-CB 3.27Å; V519-C522 WeakPolarHBondContact O-CB 3.49Å; V519-C522 PolarHBondContact O-N 3.45Å; I520-C522 VanDerWaalsContact C-N 3.34Å; C522-L524 VanDerWaalsContact C-N 3.27Å; C522-L524 PolarHBondContact O-N 3.29Å; C522-I525 PolarHBondContact O-N 2.95Å; C522-I526 WeakPolarHBondContact O-CB 3.4Å; C522-I526 WeakPolarHBondContact O-CD1 3.4Å; C522-I526 VanDerWaalsContact O-CG1 3.23Å; C522-I526 WeakPolarHBondContact O-CG1 3.5Å; C522-I526 PolarHBondContact O-N 3.01Å; C522-I526 VanDerWaalsContact SG-CD1 3.5Å; C522-I599 HydrophobicContact CB-CD1 3.6Å; C522-M603 HydrophobicContact CB-CE 3.82Å; C522-M603 HydrophobicContact CB-SD 3.86Å |
| 523 | N | 86.4 | Confident | 79 | Confident | 26 Ų | 26 | 22.4 Ų | 22.4 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 174.7 | -59.4 | -22.7 | 0 | 0 | 0 | 111.8 | D125 V519 I520 I521 S527 R611 | D125-N523 PolarHBondContact OD1-ND2 3.25Å; V519-N523 PolarHBondContact O-N 3.05Å; I520-N523 WeakPolarHBondContact O-CB 3.29Å; I520-N523 PolarHBondContact O-N 2.72Å; I521-N523 VanDerWaalsContact C-N 3.3Å; I521-N523 PolarHBondContact O-N 3.35Å; N523-S527 WeakPolarHBondContact O-CB 3.39Å; N523-S527 PolarHBondContact O-N 2.68Å; N523-R611 PolarHBondContact OD1-NH1 2.92Å |
| 524 | L | 85.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 176.7 | 178.9 | 61.2 | 0 | 0 | 0 | 113 | W174 L477 F480 L495 I520 I521 C522 S527 | W174-L524 HydrophobicContact CB-CB 4.09Å; W174-L524 HydrophobicContact CB-CD1 3.71Å; W174-L524 HydrophobicContact CD2-CD1 3.87Å; W174-L524 HydrophobicContact CE3-CD1 4.24Å; W174-L524 HydrophobicContact CG-CD1 3.67Å; L477-L524 HydrophobicContact CD2-CD2 3.97Å; F480-L524 HydrophobicContact CD1-CD2 4.12Å; F480-L524 HydrophobicContact CD2-CD2 4.12Å; F480-L524 HydrophobicContact CE1-CD2 4.01Å; F480-L524 HydrophobicContact CE2-CD2 4.01Å; F480-L524 HydrophobicContact CG-CD2 4.16Å; F480-L524 HydrophobicContact CZ-CD2 3.93Å; L495-L524 HydrophobicContact CD1-CD2 4.1Å; L495-L524 HydrophobicContact CD1-CG 4.14Å; L495-L524 HydrophobicContact CD2-CD2 4.02Å; I520-L524 PolarHBondContact O-N 3.19Å; I521-L524 WeakPolarHBondContact O-CB 3.22Å; I521-L524 PolarHBondContact O-N 2.8Å; I521-L524 VanDerWaalsContact O-N 3.09Å; C522-L524 VanDerWaalsContact C-N 3.27Å; C522-L524 PolarHBondContact O-N 3.29Å; L524-S527 PolarHBondContact O-OG 2.57Å |
| 525 | I | 87.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -42 | 176.5 | -59.3 | 160.6 | 0 | 0 | 0 | 110.7 | I492 L495 I521 C522 S527 V528 L529 A592 C595 L596 I599 | I492-I525 HydrophobicContact CD1-CG2 4.07Å; L495-I525 HydrophobicContact CD1-CG1 4.3Å; I521-I525 HydrophobicContact CG2-CD1 3.89Å; I521-I525 HydrophobicContact CG2-CG1 4.41Å; I521-I525 PolarHBondContact O-N 3.26Å; C522-I525 PolarHBondContact O-N 2.95Å; I525-S527 VanDerWaalsContact C-N 3.34Å; I525-S527 PolarHBondContact O-N 2.85Å; I525-V528 PolarHBondContact O-N 2.69Å; I525-L529 HydrophobicContact CG2-CD1 4.23Å; I525-L529 PolarHBondContact O-N 2.82Å; I525-A592 HydrophobicContact CG2-CB 3.88Å; I525-C595 HydrophobicContact CD1-CB 3.63Å; I525-C595 HydrophobicContact CG1-CB 4.32Å; I525-L596 HydrophobicContact CB-CD2 4.17Å; I525-L596 HydrophobicContact CD1-CD2 4.27Å; I525-L596 HydrophobicContact CG2-CD1 4.43Å; I525-L596 HydrophobicContact CG2-CD2 3.93Å; I525-L596 HydrophobicContact CG2-CG 3.83Å; I525-I599 HydrophobicContact CD1-CD1 3.93Å |
| 526 | I | 83.9 | Confident | 72.1 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.2 | -71.7 | 164.7 | 0 | 0 | 0 | 111.6 | C522 V528 L529 R530 R611 Y615 | C522-I526 WeakPolarHBondContact O-CB 3.4Å; C522-I526 WeakPolarHBondContact O-CD1 3.4Å; C522-I526 VanDerWaalsContact O-CG1 3.23Å; C522-I526 WeakPolarHBondContact O-CG1 3.5Å; C522-I526 PolarHBondContact O-N 3.01Å; C522-I526 VanDerWaalsContact SG-CD1 3.5Å; I526-V528 PolarHBondContact O-N 2.85Å; I526-V528 VanDerWaalsContact O-N 3.12Å; I526-L529 PolarHBondContact O-N 2.78Å; I526-L529 VanDerWaalsContact O-N 3.11Å; I526-R530 HydrophobicContact CG2-CG 4.38Å; I526-R530 WeakPolarHBondContact O-CG 3.41Å; I526-R530 PolarHBondContact O-N 3.1Å; I526-R530 VanDerWaalsContact O-N 3.12Å; I526-R611 HydrophobicContact CD1-CB 4.02Å; I526-R611 WeakPolarHBondContact CD1-O 3.13Å; I526-Y615 HydrophobicContact CB-CE2 4.4Å; I526-Y615 HydrophobicContact CD1-CD2 4.28Å; I526-Y615 HydrophobicContact CD1-CE2 3.92Å; I526-Y615 HydrophobicContact CG1-CD2 4.03Å; I526-Y615 HydrophobicContact CG1-CE2 3.94Å; I526-Y615 HydrophobicContact CG2-CD2 4.25Å; I526-Y615 HydrophobicContact CG2-CE1 3.96Å; I526-Y615 HydrophobicContact CG2-CE2 3.56Å; I526-Y615 WeakPolarHBondContact CG2-OH 3.46Å |
| 527 | S | 76.2 | Confident | 69.9 | Low | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -26.8 | 179.6 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | S173 N523 L524 I525 | S173-S527 VanDerWaalsContact C-CB 3.45Å; S173-S527 WeakPolarHBondContact O-CB 3.48Å; N523-S527 WeakPolarHBondContact O-CB 3.39Å; N523-S527 PolarHBondContact O-N 2.68Å; L524-S527 PolarHBondContact O-OG 2.57Å; I525-S527 VanDerWaalsContact C-N 3.34Å; I525-S527 PolarHBondContact O-N 2.85Å |
| 528 | V | 77.1 | Confident | 67.7 | Low | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -95.3 | -22.8 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | P488 I492 I525 I526 L584 | P488-V528 HydrophobicContact CB-CG1 3.37Å; I492-V528 HydrophobicContact CD1-CB 4.15Å; I492-V528 HydrophobicContact CD1-CG1 4.3Å; I492-V528 HydrophobicContact CG1-CB 4.05Å; I492-V528 HydrophobicContact CG1-CG1 3.65Å; I492-V528 HydrophobicContact CG1-CG2 4.47Å; I525-V528 PolarHBondContact O-N 2.69Å; I526-V528 PolarHBondContact O-N 2.85Å; I526-V528 VanDerWaalsContact O-N 3.12Å; V528-L584 HydrophobicContact CG1-CB 4.19Å; V528-L584 HydrophobicContact CG1-CD1 3.79Å; V528-L584 HydrophobicContact CG1-CD2 4.1Å; V528-L584 HydrophobicContact CG1-CG 4.24Å |
| 529 | L | 75.3 | Confident | 65.7 | Low | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78 | -31.4 | 174.5 | -79.3 | 175.6 | 0 | 0 | 0 | 113.7 | I525 I526 P531 L584 K589 A592 L596 L619 | I525-L529 HydrophobicContact CG2-CD1 4.23Å; I525-L529 PolarHBondContact O-N 2.82Å; I526-L529 PolarHBondContact O-N 2.78Å; I526-L529 VanDerWaalsContact O-N 3.11Å; L529-P531 WeakPolarHBondContact O-CD 3.31Å; L529-L584 HydrophobicContact CD2-CD2 3.91Å; L529-K589 HydrophobicContact CD2-CG 4.4Å; L529-A592 HydrophobicContact CD1-CB 4.16Å; L529-A592 HydrophobicContact CD2-CB 3.66Å; L529-A592 HydrophobicContact CG-CB 3.9Å; L529-L596 HydrophobicContact CD1-CD1 3.65Å; L529-L619 HydrophobicContact CD1-CD1 4.33Å; L529-L619 HydrophobicContact CD2-CD1 3.97Å; L529-L619 HydrophobicContact CD2-CD2 4.43Å |
| 530 | R | 67 | Low | 63.8 | Low | 79 Ų | 79 | 35.4 Ų | 35.4 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -59.7 | 124 | -177.4 | -78.7 | 175.8 | 175 | -176 | -3.9 | 112.1 | I526 T532 Y615 | I526-R530 HydrophobicContact CG2-CG 4.38Å; I526-R530 WeakPolarHBondContact O-CG 3.41Å; I526-R530 PolarHBondContact O-N 3.1Å; I526-R530 VanDerWaalsContact O-N 3.12Å; R530-T532 HydrophobicContact CB-CG2 4.33Å; R530-T532 PolarHBondContact O-N 3.07Å; R530-Y615 HydrophobicContact CG-CE1 3.8Å; R530-Y615 PolarHBondContact NE-OH 3.09Å; R530-Y615 PolarHBondContact NH2-OH 3.48Å |
| 531 | P | 51.5 | Low | 61.7 | Low | 79 Ų | 79 | 35.7 Ų | 35.7 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | trans | -81.6 | 65.5 | 175.1 | 33.7 | -34.5 | 0 | 0 | 0 | 111.2 | L529 S533 E618 | L529-P531 WeakPolarHBondContact O-CD 3.31Å; P531-S533 PolarHBondContact O-N 3.05Å; P531-E618 VanDerWaalsContact CD-OE1 3.25Å; P531-E618 WeakPolarHBondContact CD-OE1 3.29Å; P531-E618 WeakPolarHBondContact CG-OE1 3.26Å | ||
| 532 | T | 44.4 | Very low | 59.6 | Low | 74 Ų | 74 | 39.7 Ų | 39.7 | 45% | 0.454 | 21% | 0.209 | S | C | . | . | trans | -69.4 | 95.1 | 179.3 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | R530 Y534 S535 | R530-T532 HydrophobicContact CB-CG2 4.33Å; R530-T532 PolarHBondContact O-N 3.07Å; T532-Y534 PolarHBondContact O-N 2.7Å; T532-Y534 VanDerWaalsContact O-N 3.09Å; T532-S535 WeakPolarHBondContact CB-OG 3.45Å; T532-S535 PolarHBondContact OG1-OG 3.26Å | ||
| 533 | S | 39 | Very low | 57.5 | Low | 93 Ų | 93 | 40 Ų | 40 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -4.2 | -177.3 | 43.2 | 0 | 0 | 0 | 0 | 115.5 | P531 | P531-S533 PolarHBondContact O-N 3.05Š|
| 534 | Y | 39 | Very low | 55.2 | Low | 154 Ų | 154 | 39.1 Ų | 39.1 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | -5.9 | -175.4 | -77.9 | -91.4 | 0 | 0 | 0 | 115 | T532 | T532-Y534 PolarHBondContact O-N 2.7Å; T532-Y534 VanDerWaalsContact O-N 3.09Å |
| 535 | S | 36.7 | Very low | 53 | Low | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -107.4 | 83.6 | -172.6 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | D108 T532 N537 T538 | D108-S535 WeakPolarHBondContact OD2-CB 3.5Å; T532-S535 WeakPolarHBondContact CB-OG 3.45Å; T532-S535 PolarHBondContact OG1-OG 3.26Å; S535-N537 PolarHBondContact O-N 3.43Å; S535-T538 WeakPolarHBondContact CB-OG1 3.46Å; S535-T538 PolarHBondContact O-OG1 3.03Å; S535-T538 PolarHBondContact OG-OG1 3.37Å | ||
| 536 | Q | 38.8 | Very low | 50.6 | Low | 84 Ų | 84 | 46.6 Ų | 46.6 | 39% | 0.393 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.4 | -174.4 | -67.8 | -175.9 | -61.7 | 0 | 0 | 114 | R43 N582 | R43-Q536 VanDerWaalsContact NH2-OE1 3.12Å; Q536-N582 PolarHBondContact O-ND2 3.4Å |
| 537 | N | 41.7 | Very low | 48.4 | Very low | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 6.2 | -171.4 | -89.9 | 12.2 | 0 | 0 | 0 | 116.9 | S52 S535 Q539 | S52-N537 PolarHBondContact N-ND2 2.97Å; S52-N537 PolarHBondContact O-ND2 3.16Å; S535-N537 PolarHBondContact O-N 3.43Å; N537-Q539 PolarHBondContact O-N 3.19Å |
| 538 | T | 42.3 | Very low | 46.3 | Very low | 27 Ų | 27 | 54.6 Ų | 54.6 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | trans | -70.1 | 14.4 | -173 | 43 | 0 | 0 | 0 | 0 | 116.9 | D108 S173 S535 | D108-T538 HydrophobicContact CB-CG2 3.69Å; D108-T538 WeakPolarHBondContact OD1-CG2 3.49Å; D108-T538 WeakPolarHBondContact OD2-CG2 3.37Å; S173-T538 PolarHBondContact OG-O 3.4Å; S535-T538 WeakPolarHBondContact CB-OG1 3.46Å; S535-T538 PolarHBondContact O-OG1 3.03Å; S535-T538 PolarHBondContact OG-OG1 3.37Å | ||
| 539 | Q | 47.9 | Very low | 44.2 | Very low | 31 Ų | 31 | 59 Ų | 59 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -131.6 | 116.4 | -171.5 | -72.4 | -158.8 | 18.3 | 0 | 0 | 108.4 | R491 N537 | R491-Q539 VanDerWaalsContact NH2-C 3.29Å; N537-Q539 PolarHBondContact O-N 3.19Å |
| 540 | T | 49.5 | Very low | 42 | Very low | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | trans | 55.3 | 98.4 | -168.1 | 28.6 | 0 | 0 | 0 | 0 | 113.9 | F480 N486 R491 | F480-T540 WeakPolarHBondContact O-CG2 3.43Å; N486-T540 VanDerWaalsContact CA-OG1 3.25Å; N486-T540 WeakPolarHBondContact CA-OG1 3.36Å; N486-T540 WeakPolarHBondContact CB-OG1 3.31Å; N486-T540 WeakPolarHBondContact OD1-CB 3.4Å; N486-T540 VanDerWaalsContact OD1-CG2 3.27Å; N486-T540 WeakPolarHBondContact OD1-CG2 3.41Å; N486-T540 PolarHBondContact OD1-OG1 3.49Å; R491-T540 VanDerWaalsContact NH2-N 3.16Å; R491-T540 PolarHBondContact NH2-OG1 3.31Å | ||
| 541 | P | 46.4 | Very low | 40.3 | Very low | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | -60.7 | 144.8 | 160.8 | 29.8 | -36.7 | 0 | 0 | 0 | 109.6 | I107 T172 L178 L481 T543 | I107-P541 HydrophobicContact CD1-CB 3.96Å; T172-P541 HydrophobicContact CG2-CG 3.86Å; L178-P541 HydrophobicContact CD1-CB 3.53Å; L178-P541 HydrophobicContact CD1-CG 3.83Å; L178-P541 HydrophobicContact CD2-CB 4.44Å; L178-P541 HydrophobicContact CD2-CG 4.21Å; L481-P541 HydrophobicContact CD2-CG 4.41Å; P541-T543 HydrophobicContact CG-CG2 4.11Å; P541-T543 PolarHBondContact O-N 2.85Å | ||
| 542 | I | 47 | Very low | 39.3 | Very low | 83 Ų | 83 | 67.5 Ų | 67.5 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | trans | -77.5 | 82.7 | 166.4 | -55.6 | 176.4 | 0 | 0 | 0 | 107 | D105 | D105-I542 WeakPolarHBondContact OD2-CB 3.48Å; D105-I542 WeakPolarHBondContact OD2-CG1 3.46Å | ||
| 543 | T | 44.4 | Very low | 38.7 | Very low | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.043 | 37% | 0.372 | C | S | . | . | trans | -64.1 | 147.5 | 171.2 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | Y85 L178 L481 P541 A545 | Y85-T543 WeakPolarHBondContact O-CG2 3.33Å; L178-T543 HydrophobicContact CD2-CG2 3.71Å; L481-T543 HydrophobicContact CD1-CG2 4.14Å; L481-T543 HydrophobicContact CD2-CG2 4.02Å; P541-T543 HydrophobicContact CG-CG2 4.11Å; P541-T543 PolarHBondContact O-N 2.85Å; T543-A545 CarbonylContact O-C 3.58Å; T543-A545 PolarHBondContact O-N 3.44Å | ||
| 544 | A | 39.3 | Very low | 38.1 | Very low | 8 Ų | 8 | 68.9 Ų | 68.9 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -27 | -48.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I81 N82 G84 L89 D546 | I81-A544 WeakPolarHBondContact O-CB 3.11Å; N82-A544 PolarHBondContact ND2-O 3.23Å; N82-A544 CarbonylContact O-C 3.41Å; G84-A544 WeakPolarHBondContact O-CB 3.38Å; L89-A544 HydrophobicContact CD1-CB 3.41Å; L89-A544 VanDerWaalsContact CD1-CB 3.41Å; A544-D546 PolarHBondContact O-N 3.09Å |
| 545 | A | 38 | Very low | 37.5 | Very low | 18 Ų | 18 | 69.9 Ų | 69.9 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | trans | -71.4 | 93.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T543 L547 | T543-A545 CarbonylContact O-C 3.58Å; T543-A545 PolarHBondContact O-N 3.44Å; A545-L547 HydrophobicContact CB-CD1 4.43Å; A545-L547 PolarHBondContact O-N 2.82Å | ||
| 546 | D | 37 | Very low | 37.2 | Very low | 139 Ų | 139 | 71.9 Ų | 71.9 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | trans | -53.4 | 84.3 | 131.1 | -95.6 | -31.3 | 0 | 0 | 0 | 107.3 | A544 P548 | A544-D546 PolarHBondContact O-N 3.09Å; D546-P548 VanDerWaalsContact O-CD 3.22Å; D546-P548 WeakPolarHBondContact O-CD 3.32Å | ||
| 547 | L | 37.1 | Very low | 36.9 | Very low | 72 Ų | 72 | 72.3 Ų | 72.3 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | trans | -65.6 | 108.8 | -178.8 | -164.1 | 78.7 | 0 | 0 | 0 | 106.7 | A545 T549 | A545-L547 HydrophobicContact CB-CD1 4.43Å; A545-L547 PolarHBondContact O-N 2.82Å; L547-T549 PolarHBondContact O-N 3.16Å | ||
| 548 | P | 34.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 76.1 Ų | 76.1 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | trans | -60.3 | 126.7 | -164.4 | 22.9 | -33.3 | 0 | 0 | 0 | 109.3 | D546 L550 | D546-P548 VanDerWaalsContact O-CD 3.22Å; D546-P548 WeakPolarHBondContact O-CD 3.32Å; P548-L550 PolarHBondContact O-N 2.93Å | ||
| 549 | T | 31.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 80.4 Ų | 80.4 | 60% | 0.595 | 44% | 0.435 | S | S | * | . | trans | -40.4 | 124 | -168.2 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | L547 T551 | L547-T549 PolarHBondContact O-N 3.16Å; T549-T551 HydrophobicContact CG2-CG2 4.02Å; T549-T551 PolarHBondContact O-N 3.3Å; T549-T551 PolarHBondContact O-OG1 3.15Å | ||
| 550 | L | 30.4 | Very low | 37 | Very low | 92 Ų | 92 | 80.8 Ų | 80.8 | 48% | 0.482 | 44% | 0.438 | S | S | . | . | trans | -66.5 | 71.8 | -177.1 | -82.6 | 163.9 | 0 | 0 | 0 | 112.4 | P548 I553 | P548-L550 PolarHBondContact O-N 2.93Å; L550-I553 HydrophobicContact CD2-CD1 4.43Å; L550-I553 HydrophobicContact CD2-CG1 4.48Å | ||
| 551 | T | 30.1 | Very low | 37.3 | Very low | 76 Ų | 76 | 81.9 Ų | 81.9 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | trans | -94.7 | 1.5 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | I308 T549 | I308-T551 HydrophobicContact CD1-CG2 4.21Å; T549-T551 HydrophobicContact CG2-CG2 4.02Å; T549-T551 PolarHBondContact O-N 3.3Å; T549-T551 PolarHBondContact O-OG1 3.15Å | ||
| 552 | Q | 30.8 | Very low | 37.9 | Very low | 182 Ų | 182 | 82.9 Ų | 82.9 | 85% | 0.85 | 45% | 0.449 | S | S | * | . | trans | -104.5 | 2.5 | -178.7 | -68.2 | -164.4 | -15 | 0 | 0 | 114.8 | N554 | Q552-N554 PolarHBondContact O-N 2.89Š| ||
| 553 | I | 31.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 79.6 Ų | 79.6 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | trans | -90.1 | 51.6 | 161.3 | -40.2 | -177 | 0 | 0 | 0 | 109.5 | L311 L550 | L311-I553 HydrophobicContact CD2-CG2 3.79Å; L311-I553 WeakPolarHBondContact CG-O 3.39Å; L550-I553 HydrophobicContact CD2-CD1 4.43Å; L550-I553 HydrophobicContact CD2-CG1 4.48Å | ||
| 554 | N | 26.1 | Very low | 38.7 | Very low | 94 Ų | 94 | 82.6 Ų | 82.6 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | trans | -65.6 | 147.7 | 154.2 | -79 | -33 | 0 | 0 | 0 | 107.5 | Q552 | Q552-N554 PolarHBondContact O-N 2.89Š| ||
| 555 | R | 26.7 | Very low | 39.6 | Very low | 176 Ų | 176 | 82.6 Ų | 82.6 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | trans | 74.3 | 76 | 167.3 | -57.5 | 176.5 | 176.2 | -171.3 | 0.3 | 119.1 | D310 S312 S313 | D310-R555 PolarHBondContact O-N 3.43Å; S312-R555 VanDerWaalsContact O-CA 3.32Å; S312-R555 WeakPolarHBondContact O-CA 3.44Å; S312-R555 WeakPolarHBondContact O-CB 3.4Å; S312-R555 WeakPolarHBondContact O-CG 3.4Å; S313-R555 WeakPolarHBondContact O-CB 3.48Å; S313-R555 WeakPolarHBondContact O-CD 3.01Å; S313-R555 WeakPolarHBondContact O-CG 3.24Å | ||
| 556 | V | 31.2 | Very low | 40.3 | Very low | 57 Ų | 57 | 85 Ų | 85 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | S | Bend | -178.5 | 132.5 | 118.7 | 150 | 0 | 0 | 0 | 0 | 112.4 | L311 | L311-V556 WeakPolarHBondContact CB-O 3.47Å; L311-V556 WeakPolarHBondContact CD2-O 3.32Å; L311-V556 CarbonylContact O-C 3.56Å | |
| 557 | N | 32.5 | Very low | 40.8 | Very low | 93 Ų | 93 | 82.1 Ų | 82.1 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 4.2 | 114.9 | -178.4 | -52 | -11 | 0 | 0 | 0 | 121.7 | L311 | L311-N557 CarbonylContact O-C 3.04Å; L311-N557 WeakPolarHBondContact O-CA 3.31Å; L311-N557 PolarHBondContact O-N 2.7Å |
| 558 | T | 32.7 | Very low | 41.4 | Very low | 116 Ų | 116 | 83.6 Ų | 83.6 | 71% | 0.712 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 68.7 | 124.9 | 143.9 | 53.6 | 0 | 0 | 0 | 0 | 119.9 | L311 | L311-T558 PolarHBondContact O-N 3.49Å; L311-T558 VanDerWaalsContact O-N 3.13Å |
| 559 | T | 45.2 | Very low | 42 | Very low | 117 Ų | 117 | 81 Ų | 81 | 72% | 0.718 | 42% | 0.424 | S | S | * | . | trans | 56.2 | 75.4 | 170 | 50.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 560 | D | 55.6 | Low | 42.6 | Very low | 40 Ų | 40 | 79 Ų | 79 | 21% | 0.214 | 41% | 0.408 | C | S | . | . | trans | -58.1 | 121.7 | 158.6 | 178.3 | 0.1 | 0 | 0 | 0 | 110.2 | L311 F562 N563 L564 | L311-D560 HydrophobicContact CD1-CB 3.61Å; D560-F562 PolarHBondContact O-N 2.73Å; D560-F562 WeakPolarHBondContact OD1-CB 3.49Å; D560-F562 PolarHBondContact OD1-N 3.01Å; D560-N563 HydrophobicContact CB-CB 4.1Å; D560-N563 PolarHBondContact O-N 3Å; D560-N563 PolarHBondContact OD2-ND2 3.13Å; D560-L564 PolarHBondContact O-N 3.33Å | ||
| 561 | P | 56.1 | Low | 43.2 | Very low | 34 Ų | 34 | 79.1 Ų | 79.1 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.7 | -30.5 | 177 | 26.1 | -34.9 | 0 | 0 | 0 | 112.7 | F494 L497 T498 L564 I565 | F494-P561 HydrophobicContact CD2-CB 4.3Å; F494-P561 HydrophobicContact CE2-CB 4.31Å; F494-P561 HydrophobicContact CE2-CG 4.03Å; L497-P561 HydrophobicContact CB-CB 4.37Å; L497-P561 HydrophobicContact CD1-CB 4.42Å; T498-P561 HydrophobicContact CG2-CB 4.26Å; T498-P561 HydrophobicContact CG2-CG 4.02Å; P561-L564 PolarHBondContact O-N 2.79Å; P561-I565 WeakPolarHBondContact O-CB 3.41Å; P561-I565 WeakPolarHBondContact O-CD1 3.47Å; P561-I565 VanDerWaalsContact O-CG1 3.24Å; P561-I565 WeakPolarHBondContact O-CG1 3.28Å; P561-I565 PolarHBondContact O-N 3.3Å |
| 562 | F | 58.6 | Low | 43.5 | Very low | 28 Ų | 28 | 76.9 Ų | 76.9 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 175.7 | -73.6 | -76.4 | 0 | 0 | 0 | 112 | N479 L485 F494 D560 I565 R566 | N479-F562 HydrophobicContact CB-CZ 4.15Å; L485-F562 HydrophobicContact CD1-CE1 3.97Å; L485-F562 HydrophobicContact CD1-CZ 4.37Å; L485-F562 HydrophobicContact CD2-CE1 4.36Å; L485-F562 HydrophobicContact CG-CE1 4.07Å; F494-F562 HydrophobicContact CD2-CE1 4.27Å; F494-F562 HydrophobicContact CD2-CZ 4.23Å; F494-F562 HydrophobicContact CE2-CD1 4.44Å; F494-F562 HydrophobicContact CE2-CD2 4.02Å; F494-F562 AromaticContact CE2-CE1 3.99Å; F494-F562 HydrophobicContact CE2-CE1 3.99Å; F494-F562 AromaticContact CE2-CE2 3.52Å; F494-F562 HydrophobicContact CE2-CE2 3.52Å; F494-F562 HydrophobicContact CE2-CG 4.46Å; F494-F562 AromaticContact CE2-CZ 3.51Å; F494-F562 HydrophobicContact CE2-CZ 3.51Å; F494-F562 AromaticContact CZ-CE2 3.99Å; F494-F562 HydrophobicContact CZ-CE2 3.99Å; F494-F562 AromaticContact CZ-CZ 3.91Å; F494-F562 HydrophobicContact CZ-CZ 3.91Å; D560-F562 PolarHBondContact O-N 2.73Å; D560-F562 WeakPolarHBondContact OD1-CB 3.49Å; D560-F562 PolarHBondContact OD1-N 3.01Å; F562-I565 PolarHBondContact O-N 3.35Å; F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.36Å |
| 563 | N | 55.4 | Low | 43.6 | Very low | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71 | -32.9 | 174 | -72.6 | -28.6 | 0 | 0 | 0 | 112.4 | I308 D560 R566 N567 | I308-N563 PolarHBondContact O-ND2 3.28Å; D560-N563 HydrophobicContact CB-CB 4.1Å; D560-N563 PolarHBondContact O-N 3Å; D560-N563 PolarHBondContact OD2-ND2 3.13Å; N563-R566 PolarHBondContact O-N 2.93Å; N563-R566 PolarHBondContact OD1-NH1 3.43Å; N563-N567 VanDerWaalsContact O-CB 3.23Å; N563-N567 WeakPolarHBondContact O-CB 3.37Å; N563-N567 PolarHBondContact O-N 3.45Å; N563-N567 PolarHBondContact O-ND2 3.08Å |
| 564 | L | 53.6 | Low | 43.8 | Very low | 69 Ų | 69 | 72.5 Ų | 72.5 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 172.3 | -165.9 | 71.9 | 0 | 0 | 0 | 111.4 | L497 D560 P561 N568 | L497-L564 HydrophobicContact CD1-CD2 4.01Å; L497-L564 HydrophobicContact CD2-CD2 4.02Å; D560-L564 PolarHBondContact O-N 3.33Å; P561-L564 PolarHBondContact O-N 2.79Å; L564-N568 WeakPolarHBondContact O-CB 3.45Å; L564-N568 PolarHBondContact O-N 3.48Å; L564-N568 PolarHBondContact O-ND2 2.91Å |
| 565 | I | 58.5 | Low | 44.1 | Very low | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -52.6 | 173.7 | -70.6 | 165.9 | 0 | 0 | 0 | 110.3 | I484 L485 F494 L497 P561 F562 N567 N568 L569 | I484-I565 HydrophobicContact CG2-CG2 4.5Å; L485-I565 HydrophobicContact CD2-CD1 4.25Å; F494-I565 HydrophobicContact CB-CD1 3.77Å; F494-I565 HydrophobicContact CD2-CD1 4Å; F494-I565 HydrophobicContact CG-CD1 4.39Å; L497-I565 HydrophobicContact CD1-CG1 4.35Å; P561-I565 WeakPolarHBondContact O-CB 3.41Å; P561-I565 WeakPolarHBondContact O-CD1 3.47Å; P561-I565 VanDerWaalsContact O-CG1 3.24Å; P561-I565 WeakPolarHBondContact O-CG1 3.28Å; P561-I565 PolarHBondContact O-N 3.3Å; F562-I565 PolarHBondContact O-N 3.35Å; I565-N567 VanDerWaalsContact C-N 3.3Å; I565-N567 PolarHBondContact O-N 3.48Å; I565-N568 PolarHBondContact O-N 3.33Å; I565-L569 HydrophobicContact CG2-CD1 3.84Å; I565-L569 WeakPolarHBondContact O-CD1 3.46Å; I565-L569 PolarHBondContact O-N 3.18Å |
| 566 | R | 52.4 | Low | 44.3 | Very low | 70 Ų | 70 | 73.7 Ų | 73.7 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 179.3 | -178.4 | -179 | -76.8 | 138.4 | -8.3 | 112.5 | F562 N563 L569 H570 | F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.36Å; N563-R566 PolarHBondContact O-N 2.93Å; N563-R566 PolarHBondContact OD1-NH1 3.43Å; R566-L569 WeakPolarHBondContact O-CB 3.29Å; R566-L569 PolarHBondContact O-N 2.66Å; R566-H570 WeakPolarHBondContact O-CB 3.33Å; R566-H570 PolarHBondContact O-CD2 3.45Å; R566-H570 PolarHBondContact O-N 3.14Å |
| 567 | N | 47.3 | Very low | 44.4 | Very low | 77 Ų | 77 | 75.6 Ų | 75.6 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.2 | -39.2 | 178.8 | -69.7 | -7.6 | 0 | 0 | 0 | 112.2 | N563 I565 L569 H570 S571 | N563-N567 VanDerWaalsContact O-CB 3.23Å; N563-N567 WeakPolarHBondContact O-CB 3.37Å; N563-N567 PolarHBondContact O-N 3.45Å; N563-N567 PolarHBondContact O-ND2 3.08Å; I565-N567 VanDerWaalsContact C-N 3.3Å; I565-N567 PolarHBondContact O-N 3.48Å; N567-L569 PolarHBondContact O-N 3.36Å; N567-H570 PolarHBondContact O-N 3.24Å; N567-S571 PolarHBondContact O-N 2.91Å; N567-S571 VanDerWaalsContact O-N 3.1Å; N567-S571 PolarHBondContact O-OG 3.37Å; N567-S571 VanDerWaalsContact O-OG 3.1Å |
| 568 | N | 48.2 | Very low | 44.3 | Very low | 103 Ų | 103 | 72.8 Ų | 72.8 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.4 | -30.6 | 171.5 | -72.6 | -31.2 | 0 | 0 | 0 | 112.1 | L564 I565 S571 | L564-N568 WeakPolarHBondContact O-CB 3.45Å; L564-N568 PolarHBondContact O-N 3.48Å; L564-N568 PolarHBondContact O-ND2 2.91Å; I565-N568 PolarHBondContact O-N 3.33Å; N568-S571 PolarHBondContact O-OG 3.08Å; N568-S571 VanDerWaalsContact O-OG 3.09Å |
| 569 | L | 46.9 | Very low | 44.3 | Very low | 54 Ų | 54 | 70.3 Ų | 70.3 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.8 | -49.2 | 170 | -90.7 | 73.6 | 0 | 0 | 0 | 111.7 | I565 R566 N567 S571 S572 Y577 | I565-L569 HydrophobicContact CG2-CD1 3.84Å; I565-L569 WeakPolarHBondContact O-CD1 3.46Å; I565-L569 PolarHBondContact O-N 3.18Å; R566-L569 WeakPolarHBondContact O-CB 3.29Å; R566-L569 PolarHBondContact O-N 2.66Å; N567-L569 PolarHBondContact O-N 3.36Å; L569-S571 PolarHBondContact O-N 2.85Å; L569-S572 PolarHBondContact O-N 3.45Å; L569-Y577 WeakPolarHBondContact CA-OH 3.45Å; L569-Y577 VanDerWaalsContact CB-OH 3.29Å; L569-Y577 WeakPolarHBondContact CB-OH 3.36Å; L569-Y577 HydrophobicContact CD2-CE1 3.97Å; L569-Y577 HydrophobicContact CG-CE1 4.08Å; L569-Y577 WeakPolarHBondContact CG-OH 3.45Å; L569-Y577 PolarHBondContact O-OH 2.8Å |
| 570 | H | 44.6 | Very low | 43.9 | Very low | 57 Ų | 57 | 71.7 Ų | 71.7 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.2 | -4.3 | -176.7 | -69.5 | -25.7 | 0 | 0 | 0 | 115.6 | Q303 R566 N567 | Q303-H570 PolarHBondContact NE2-O 3.41Å; R566-H570 WeakPolarHBondContact O-CB 3.33Å; R566-H570 PolarHBondContact O-CD2 3.45Å; R566-H570 PolarHBondContact O-N 3.14Å; N567-H570 PolarHBondContact O-N 3.24Å |
| 571 | S | 43.4 | Very low | 43.5 | Very low | 94 Ų | 94 | 73.3 Ų | 73.3 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9 | 167 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | N567 N568 L569 | N567-S571 PolarHBondContact O-N 2.91Å; N567-S571 VanDerWaalsContact O-N 3.1Å; N567-S571 PolarHBondContact O-OG 3.37Å; N567-S571 VanDerWaalsContact O-OG 3.1Å; N568-S571 PolarHBondContact O-OG 3.08Å; N568-S571 VanDerWaalsContact O-OG 3.09Å; L569-S571 PolarHBondContact O-N 2.85Å |
| 572 | S | 36.1 | Very low | 43.4 | Very low | 29 Ų | 29 | 76.1 Ų | 76.1 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -89.7 | 144.7 | 166.7 | -165.8 | 0 | 0 | 0 | 0 | 109 | L569 K574 R580 | L569-S572 PolarHBondContact O-N 3.45Å; S572-K574 PolarHBondContact O-N 3.39Å; S572-R580 PolarHBondContact OG-NH2 3.35Å; S572-R580 VanDerWaalsContact OG-NH2 3.08Å |
| 573 | D | 33.3 | Very low | 43.7 | Very low | 89 Ų | 89 | 84 Ų | 84 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | trans | -61.5 | 134.7 | -168.9 | -126.6 | -51.4 | 0 | 0 | 0 | 113 | K301 K575 E576 | K301-D573 VanDerWaalsContact CE-OD1 3.23Å; K301-D573 WeakPolarHBondContact CE-OD1 3.28Å; K301-D573 IonicContact NZ-OD1 2.68Å; K301-D573 PolarHBondContact NZ-OD1 2.92Å; K301-D573 IonicContact NZ-OD2 3.58Å; D573-K575 PolarHBondContact O-N 3.39Å; D573-E576 PolarHBondContact O-N 2.84Å | ||
| 574 | K | 35.5 | Very low | 44.6 | Very low | 102 Ų | 102 | 83.8 Ų | 83.8 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 7.6 | -169.5 | -87.9 | -167.7 | 163.9 | -158.1 | 0 | 115.4 | Q302 S572 | Q302-K574 PolarHBondContact O-NZ 2.74Å; S572-K574 PolarHBondContact O-N 3.39Å |
| 575 | K | 32.1 | Very low | 45.9 | Very low | 195 Ų | 195 | 82.6 Ų | 82.6 | 85% | 0.848 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -4.1 | -177.7 | -73.1 | -167.8 | 170.5 | -169.4 | 0 | 115.3 | D573 | D573-K575 PolarHBondContact O-N 3.39Š|
| 576 | E | 31.4 | Very low | 47.1 | Very low | 100 Ų | 100 | 85.2 Ų | 85.2 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -95.3 | 5.5 | 178.4 | -64 | -168.2 | 159.3 | 0 | 0 | 114.5 | D573 S578 R580 | D573-E576 PolarHBondContact O-N 2.84Å; E576-S578 VanDerWaalsContact C-N 3.29Å; E576-S578 PolarHBondContact O-N 3.04Å; E576-R580 IonicContact OE2-CZ 4Å; E576-R580 IonicContact OE2-NH2 3.74Å; E576-R580 PolarHBondContact OE2-NH2 2.87Å |
| 577 | Y | 33.6 | Very low | 48.6 | Very low | 98 Ų | 98 | 86.2 Ų | 86.2 | 38% | 0.384 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.2 | -163 | -95.1 | -75.2 | 0 | 0 | 0 | 116.1 | L569 | L569-Y577 WeakPolarHBondContact CA-OH 3.45Å; L569-Y577 VanDerWaalsContact CB-OH 3.29Å; L569-Y577 WeakPolarHBondContact CB-OH 3.36Å; L569-Y577 HydrophobicContact CD2-CE1 3.97Å; L569-Y577 HydrophobicContact CG-CE1 4.08Å; L569-Y577 WeakPolarHBondContact CG-OH 3.45Å; L569-Y577 PolarHBondContact O-OH 2.8Å |
| 578 | S | 31 | Very low | 50.3 | Low | 34 Ų | 34 | 82.5 Ų | 82.5 | 24% | 0.238 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.3 | -172 | 39.3 | 0 | 0 | 0 | 0 | 116.2 | D48 N49 E576 | D48-S578 VanDerWaalsContact CB-CB 3.49Å; D48-S578 WeakPolarHBondContact OD2-CB 3.4Å; D48-S578 PolarHBondContact OD2-OG 3.45Å; N49-S578 PolarHBondContact ND2-O 3.13Å; E576-S578 VanDerWaalsContact C-N 3.29Å; E576-S578 PolarHBondContact O-N 3.04Å |
| 579 | T | 31.8 | Very low | 52.2 | Low | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | trans | -121.6 | 11.2 | -166.9 | 64 | 0 | 0 | 0 | 0 | 115.6 | S581 Q1628 | T579-S581 PolarHBondContact O-N 3.31Å; T579-Q1628 VanDerWaalsContact OG1-CD 3.28Å; T579-Q1628 PolarHBondContact OG1-NE2 2.65Å; T579-Q1628 PolarHBondContact OG1-OE1 3.18Å | ||
| 580 | R | 37.5 | Very low | 54.2 | Low | 145 Ų | 145 | 78 Ų | 78 | 55% | 0.547 | 39% | 0.39 | S | S | . | . | trans | -78.7 | 83.6 | 178.7 | -70 | -169.3 | -178.6 | 176.1 | 6.1 | 112.9 | S572 E576 | S572-R580 PolarHBondContact OG-NH2 3.35Å; S572-R580 VanDerWaalsContact OG-NH2 3.08Å; E576-R580 IonicContact OE2-CZ 4Å; E576-R580 IonicContact OE2-NH2 3.74Å; E576-R580 PolarHBondContact OE2-NH2 2.87Å | ||
| 581 | S | 45.5 | Very low | 56.3 | Low | 75 Ų | 75 | 76.5 Ų | 76.5 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | trans | 16.7 | 114.8 | 148.2 | 166.1 | 0 | 0 | 0 | 0 | 117.3 | T579 R583 | T579-S581 PolarHBondContact O-N 3.31Å; S581-R583 PolarHBondContact O-N 2.86Å; S581-R583 WeakPolarHBondContact OG-CB 3.37Å; S581-R583 PolarHBondContact OG-N 2.84Å | ||
| 582 | N | 55.8 | Low | 58.4 | Low | 92 Ų | 92 | 72 Ų | 72 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -65 | 20.6 | 172.7 | -69.9 | -7.2 | 0 | 0 | 0 | 115.6 | Q536 | Q536-N582 PolarHBondContact O-ND2 3.4Š|
| 583 | R | 63.5 | Low | 60.9 | Low | 193 Ų | 193 | 70.6 Ų | 70.6 | 73% | 0.728 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -103.9 | 129.1 | 174.7 | -58.4 | 179.9 | 177.5 | -166.9 | -1.5 | 109.3 | S581 S585 | S581-R583 PolarHBondContact O-N 2.86Å; S581-R583 WeakPolarHBondContact OG-CB 3.37Å; S581-R583 PolarHBondContact OG-N 2.84Å; R583-S585 PolarHBondContact O-N 3.17Å |
| 584 | L | 74.4 | Confident | 63.6 | Low | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -53 | 127.4 | 172.2 | -175.4 | 69.3 | 0 | 0 | 0 | 110.7 | P488 D489 I492 V528 L529 K589 A592 | P488-L584 HydrophobicContact CB-CB 4.12Å; P488-L584 HydrophobicContact CB-CD1 4.06Å; D489-L584 HydrophobicContact CB-CD1 4.5Å; I492-L584 HydrophobicContact CB-CD1 4.19Å; I492-L584 HydrophobicContact CG1-CD1 3.94Å; V528-L584 HydrophobicContact CG1-CB 4.19Å; V528-L584 HydrophobicContact CG1-CD1 3.79Å; V528-L584 HydrophobicContact CG1-CD2 4.1Å; V528-L584 HydrophobicContact CG1-CG 4.24Å; L529-L584 HydrophobicContact CD2-CD2 3.91Å; L584-K589 HydrophobicContact CD2-CB 4.41Å; L584-K589 HydrophobicContact CD2-CG 3.85Å; L584-K589 HydrophobicContact CG-CG 4.23Å; L584-A592 HydrophobicContact CD2-CB 4.2Å |
| 585 | S | 80.9 | Confident | 66.2 | Low | 44 Ų | 44 | 64.6 Ų | 64.6 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 165.5 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | D489 R583 T587 G588 K589 | D489-S585 VanDerWaalsContact OD1-CB 3.28Å; D489-S585 WeakPolarHBondContact OD1-CB 3.44Å; D489-S585 PolarHBondContact OD1-N 3.29Å; D489-S585 PolarHBondContact OD1-OG 3.18Å; D489-S585 PolarHBondContact OD2-N 3.01Å; R583-S585 PolarHBondContact O-N 3.17Å; S585-T587 VanDerWaalsContact C-N 3.28Å; S585-T587 PolarHBondContact O-N 2.84Å; S585-T587 PolarHBondContact OG-OG1 3.3Å; S585-T587 VanDerWaalsContact OG-OG1 3.08Å; S585-G588 CarbonylContact O-C 3.44Å; S585-G588 WeakPolarHBondContact O-CA 3.4Å; S585-G588 PolarHBondContact O-N 3.44Å; S585-G588 PolarHBondContact OG-N 3.29Å; S585-K589 WeakPolarHBondContact O-CG 3.29Å; S585-K589 PolarHBondContact O-N 3.21Å |
| 586 | E | 83.1 | Confident | 69 | Low | 62 Ų | 62 | 55.4 Ų | 55.4 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 177.2 | -63 | -63.3 | 113.2 | 0 | 0 | 112.4 | G588 K589 I590 S625 V628 | E586-G588 VanDerWaalsContact C-N 3.35Å; E586-K589 PolarHBondContact O-N 3.46Å; E586-K589 WeakPolarHBondContact OE1-CE 3.32Å; E586-K589 IonicContact OE1-NZ 2.82Å; E586-K589 PolarHBondContact OE1-NZ 3.46Å; E586-I590 WeakPolarHBondContact O-CG1 3.37Å; E586-I590 PolarHBondContact O-N 3.39Å; E586-S625 WeakPolarHBondContact OE2-CB 3.47Å; E586-S625 PolarHBondContact OE2-N 3.1Å; E586-S625 PolarHBondContact OE2-OG 3.06Å; E586-V628 HydrophobicContact CB-CG2 4.28Å; E586-V628 WeakPolarHBondContact O-CG2 3.46Å; E586-V628 WeakPolarHBondContact OE2-CG2 3.11Å |
| 587 | T | 84.4 | Confident | 71.7 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 56% | 0.558 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.7 | -32.1 | 173.6 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | S585 I590 N591 | S585-T587 VanDerWaalsContact C-N 3.28Å; S585-T587 PolarHBondContact O-N 2.84Å; S585-T587 PolarHBondContact OG-OG1 3.3Å; S585-T587 VanDerWaalsContact OG-OG1 3.08Å; T587-I590 PolarHBondContact O-N 3.49Å; T587-N591 WeakPolarHBondContact O-CB 3.46Å; T587-N591 PolarHBondContact O-N 2.86Å; T587-N591 PolarHBondContact O-ND2 3.03Å; T587-N591 PolarHBondContact O-OD1 3.03Å |
| 588 | G | 83.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D489 I492 S585 E586 I590 N591 A592 | D489-G588 VanDerWaalsContact OD1-CA 3.28Å; D489-G588 WeakPolarHBondContact OD1-CA 3.43Å; I492-G588 WeakPolarHBondContact CG2-O 3.46Å; S585-G588 CarbonylContact O-C 3.44Å; S585-G588 WeakPolarHBondContact O-CA 3.4Å; S585-G588 PolarHBondContact O-N 3.44Å; S585-G588 PolarHBondContact OG-N 3.29Å; E586-G588 VanDerWaalsContact C-N 3.35Å; G588-I590 VanDerWaalsContact C-N 3.35Å; G588-I590 PolarHBondContact O-N 2.94Å; G588-N591 WeakPolarHBondContact O-CB 3.44Å; G588-N591 PolarHBondContact O-N 3.03Å; G588-N591 VanDerWaalsContact O-N 3.15Å; G588-A592 WeakPolarHBondContact O-CB 3.25Å; G588-A592 PolarHBondContact O-N 3.06Å |
| 589 | K | 87.6 | Confident | 77 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 13% | 0.13 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.6 | -67.4 | 171.5 | -171.4 | 174.7 | 0 | 111.9 | L529 L584 S585 E586 N591 A592 L593 L619 H624 V628 | L529-K589 HydrophobicContact CD2-CG 4.4Å; L584-K589 HydrophobicContact CD2-CB 4.41Å; L584-K589 HydrophobicContact CD2-CG 3.85Å; L584-K589 HydrophobicContact CG-CG 4.23Å; S585-K589 WeakPolarHBondContact O-CG 3.29Å; S585-K589 PolarHBondContact O-N 3.21Å; E586-K589 PolarHBondContact O-N 3.46Å; E586-K589 WeakPolarHBondContact OE1-CE 3.32Å; E586-K589 IonicContact OE1-NZ 2.82Å; E586-K589 PolarHBondContact OE1-NZ 3.46Å; K589-N591 VanDerWaalsContact C-N 3.34Å; K589-N591 PolarHBondContact O-N 3.21Å; K589-A592 PolarHBondContact O-N 3.49Å; K589-L593 PolarHBondContact O-N 2.85Å; K589-L619 HydrophobicContact CD-CD2 4.06Å; K589-L619 HydrophobicContact CG-CD2 4.34Å; K589-H624 PolarHBondContact NZ-CE1 2.88Å; K589-H624 PolarHBondContact NZ-ND1 3.13Å; K589-H624 VanDerWaalsContact NZ-ND1 3.13Å; K589-V628 HydrophobicContact CB-CG1 4.25Å; K589-V628 HydrophobicContact CB-CG2 3.87Å; K589-V628 HydrophobicContact CD-CG1 4.23Å; K589-V628 HydrophobicContact CD-CG2 4.33Å |
| 590 | I | 88.4 | Confident | 79.7 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 172.4 | -73.3 | 166.8 | 0 | 0 | 0 | 110.9 | E586 T587 G588 A592 L593 I594 E627 V628 L631 | E586-I590 WeakPolarHBondContact O-CG1 3.37Å; E586-I590 PolarHBondContact O-N 3.39Å; T587-I590 PolarHBondContact O-N 3.49Å; G588-I590 VanDerWaalsContact C-N 3.35Å; G588-I590 PolarHBondContact O-N 2.94Å; I590-A592 PolarHBondContact O-N 3Å; I590-L593 PolarHBondContact O-N 2.96Å; I590-I594 HydrophobicContact CG2-CD1 4.03Å; I590-I594 WeakPolarHBondContact O-CD1 3.49Å; I590-I594 VanDerWaalsContact O-CG1 3.3Å; I590-I594 WeakPolarHBondContact O-CG1 3.43Å; I590-I594 PolarHBondContact O-N 2.95Å; I590-I594 VanDerWaalsContact O-N 3.11Å; I590-E627 HydrophobicContact CD1-CB 4.01Å; I590-V628 HydrophobicContact CD1-CG2 4.34Å; I590-V628 HydrophobicContact CG1-CG2 3.9Å; I590-L631 HydrophobicContact CB-CD2 4.12Å; I590-L631 HydrophobicContact CG1-CD2 4.1Å; I590-L631 HydrophobicContact CG2-CD2 3.83Å |
| 591 | N | 88.6 | Confident | 82 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.4 | -68.1 | -22.4 | 0 | 0 | 0 | 112.3 | I492 K496 T587 G588 K589 I594 C595 | I492-N591 HydrophobicContact CG2-CB 3.45Å; I492-N591 VanDerWaalsContact CG2-CB 3.45Å; K496-N591 HydrophobicContact CD-CB 3.82Å; K496-N591 VanDerWaalsContact CD-OD1 3.25Å; K496-N591 WeakPolarHBondContact CD-OD1 3.32Å; K496-N591 WeakPolarHBondContact CE-OD1 3.47Å; K496-N591 PolarHBondContact NZ-OD1 3.43Å; T587-N591 WeakPolarHBondContact O-CB 3.46Å; T587-N591 PolarHBondContact O-N 2.86Å; T587-N591 PolarHBondContact O-ND2 3.03Å; T587-N591 PolarHBondContact O-OD1 3.03Å; G588-N591 WeakPolarHBondContact O-CB 3.44Å; G588-N591 PolarHBondContact O-N 3.03Å; G588-N591 VanDerWaalsContact O-N 3.15Å; K589-N591 VanDerWaalsContact C-N 3.34Å; K589-N591 PolarHBondContact O-N 3.21Å; N591-I594 PolarHBondContact O-N 3.03Å; N591-C595 PolarHBondContact O-N 2.88Å; N591-C595 PolarHBondContact O-SG 2.78Å |
| 592 | A | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I492 I525 L529 L584 G588 K589 I590 I594 C595 L596 | I492-A592 HydrophobicContact CD1-CB 3.95Å; I492-A592 HydrophobicContact CG1-CB 4.45Å; I492-A592 HydrophobicContact CG2-CB 4.12Å; I525-A592 HydrophobicContact CG2-CB 3.88Å; L529-A592 HydrophobicContact CD1-CB 4.16Å; L529-A592 HydrophobicContact CD2-CB 3.66Å; L529-A592 HydrophobicContact CG-CB 3.9Å; L584-A592 HydrophobicContact CD2-CB 4.2Å; G588-A592 WeakPolarHBondContact O-CB 3.25Å; G588-A592 PolarHBondContact O-N 3.06Å; K589-A592 PolarHBondContact O-N 3.49Å; I590-A592 PolarHBondContact O-N 3Å; A592-I594 VanDerWaalsContact C-N 3.29Å; A592-I594 PolarHBondContact O-N 2.82Å; A592-C595 PolarHBondContact O-N 3.17Å; A592-L596 WeakPolarHBondContact O-CG 3.23Å; A592-L596 PolarHBondContact O-N 3.29Å |
| 593 | L | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -36 | 174 | -78.2 | 169.5 | 0 | 0 | 0 | 112.6 | K589 I590 L597 L619 L631 A632 | K589-L593 PolarHBondContact O-N 2.85Å; I590-L593 PolarHBondContact O-N 2.96Å; L593-L597 WeakPolarHBondContact O-CG 3.23Å; L593-L597 PolarHBondContact O-N 2.81Å; L593-L597 VanDerWaalsContact O-N 3.1Å; L593-L619 HydrophobicContact CD1-CD1 4.15Å; L593-L619 HydrophobicContact CD2-CD1 3.78Å; L593-L619 HydrophobicContact CG-CD1 3.95Å; L593-L631 HydrophobicContact CB-CD2 3.92Å; L593-L631 HydrophobicContact CB-CG 4.17Å; L593-L631 HydrophobicContact CD1-CB 4.15Å; L593-L631 HydrophobicContact CD1-CD2 4.06Å; L593-L631 HydrophobicContact CD1-CG 3.95Å; L593-A632 HydrophobicContact CD1-CB 4.2Å |
| 594 | I | 89.7 | Confident | 86.6 | Confident | 65 Ų | 65 | 32 Ų | 32 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.2 | -46 | 173.8 | -68.1 | 163.5 | 0 | 0 | 0 | 110.7 | I590 N591 A592 L596 L597 E598 | I590-I594 HydrophobicContact CG2-CD1 4.03Å; I590-I594 WeakPolarHBondContact O-CD1 3.49Å; I590-I594 VanDerWaalsContact O-CG1 3.3Å; I590-I594 WeakPolarHBondContact O-CG1 3.43Å; I590-I594 PolarHBondContact O-N 2.95Å; I590-I594 VanDerWaalsContact O-N 3.11Å; N591-I594 PolarHBondContact O-N 3.03Å; A592-I594 VanDerWaalsContact C-N 3.29Å; A592-I594 PolarHBondContact O-N 2.82Å; I594-L596 VanDerWaalsContact C-N 3.34Å; I594-L596 PolarHBondContact O-N 3.1Å; I594-L597 PolarHBondContact O-N 3.3Å; I594-E598 PolarHBondContact O-N 3.24Å; I594-E598 VanDerWaalsContact O-N 3.15Å |
| 595 | C | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 112 | I525 N591 A592 L597 E598 I599 | I525-C595 HydrophobicContact CD1-CB 3.63Å; I525-C595 HydrophobicContact CG1-CB 4.32Å; N591-C595 PolarHBondContact O-N 2.88Å; N591-C595 PolarHBondContact O-SG 2.78Å; A592-C595 PolarHBondContact O-N 3.17Å; C595-L597 PolarHBondContact O-N 2.71Å; C595-E598 PolarHBondContact O-N 3.02Å; C595-I599 PolarHBondContact O-N 2.77Å; C595-I599 VanDerWaalsContact O-N 3.16Å |
| 596 | L | 90 | Very high | 87.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174 | -74 | 175.9 | 0 | 0 | 0 | 112.2 | I525 L529 A592 I594 E598 I599 A600 V612 | I525-L596 HydrophobicContact CB-CD2 4.17Å; I525-L596 HydrophobicContact CD1-CD2 4.27Å; I525-L596 HydrophobicContact CG2-CD1 4.43Å; I525-L596 HydrophobicContact CG2-CD2 3.93Å; I525-L596 HydrophobicContact CG2-CG 3.83Å; L529-L596 HydrophobicContact CD1-CD1 3.65Å; A592-L596 WeakPolarHBondContact O-CG 3.23Å; A592-L596 PolarHBondContact O-N 3.29Å; I594-L596 VanDerWaalsContact C-N 3.34Å; I594-L596 PolarHBondContact O-N 3.1Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.84Å; L596-I599 HydrophobicContact CD2-CD1 4.26Å; L596-I599 WeakPolarHBondContact O-CG1 3.41Å; L596-A600 WeakPolarHBondContact O-CB 3.43Å; L596-A600 PolarHBondContact O-N 2.8Å; L596-V612 HydrophobicContact CB-CG1 4.42Å; L596-V612 HydrophobicContact CD1-CG1 4.15Å; L596-V612 HydrophobicContact CD2-CG1 4.3Å |
| 597 | L | 88.7 | Confident | 87.4 | Confident | 40 Ų | 40 | 29.3 Ų | 29.3 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 177.4 | -81.8 | 172 | 0 | 0 | 0 | 113.4 | L593 I594 C595 N601 S635 H638 I639 | L593-L597 WeakPolarHBondContact O-CG 3.23Å; L593-L597 PolarHBondContact O-N 2.81Å; L593-L597 VanDerWaalsContact O-N 3.1Å; I594-L597 PolarHBondContact O-N 3.3Å; C595-L597 PolarHBondContact O-N 2.71Å; L597-N601 PolarHBondContact O-ND2 3.17Å; L597-S635 VanDerWaalsContact CD1-OG 3.27Å; L597-S635 WeakPolarHBondContact CD1-OG 3.38Å; L597-H638 HydrophobicContact CD2-CB 3.83Å; L597-H638 WeakPolarHBondContact CD2-ND1 3.36Å; L597-I639 HydrophobicContact CD2-CD1 4.42Å; L597-I639 HydrophobicContact CD2-CG1 4.11Å |
| 598 | E | 86.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 25 Ų | 25 | 23% | 0.234 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.5 | -53.6 | 176.1 | -164.8 | 169.4 | -166.1 | 0 | 0 | 110.6 | M499 T500 L503 I594 C595 L596 A600 N601 | M499-E598 HydrophobicContact CG-CG 4.39Å; M499-E598 VanDerWaalsContact CG-OE2 3.29Å; M499-E598 WeakPolarHBondContact CG-OE2 3.15Å; T500-E598 VanDerWaalsContact CA-OE1 3.25Å; T500-E598 WeakPolarHBondContact CA-OE1 3.43Å; T500-E598 VanDerWaalsContact CB-OE1 3.24Å; T500-E598 WeakPolarHBondContact CB-OE1 3.47Å; T500-E598 PolarHBondContact OG1-OE1 2.67Å; L503-E598 HydrophobicContact CD1-CG 3.97Å; I594-E598 PolarHBondContact O-N 3.24Å; I594-E598 VanDerWaalsContact O-N 3.15Å; C595-E598 PolarHBondContact O-N 3.02Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.84Å; E598-A600 VanDerWaalsContact C-N 3.35Å; E598-A600 PolarHBondContact O-N 2.75Å; E598-N601 PolarHBondContact O-ND2 3.28Å; E598-N601 VanDerWaalsContact O-ND2 3.09Å |
| 599 | I | 89.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.6 | -24 | -179.3 | 65.8 | 166.1 | 0 | 0 | 0 | 114.2 | M499 L503 A518 I521 C522 I525 C595 L596 N601 H602 M603 | M499-I599 HydrophobicContact SD-CG2 3.91Å; L503-I599 HydrophobicContact CD1-CG2 4.12Å; L503-I599 HydrophobicContact CD2-CG2 4.49Å; A518-I599 HydrophobicContact CB-CB 4.23Å; I521-I599 HydrophobicContact CG2-CD1 4.4Å; I521-I599 HydrophobicContact CG2-CG2 4.09Å; C522-I599 HydrophobicContact CB-CD1 3.6Å; I525-I599 HydrophobicContact CD1-CD1 3.93Å; C595-I599 PolarHBondContact O-N 2.77Å; C595-I599 VanDerWaalsContact O-N 3.16Å; L596-I599 HydrophobicContact CD2-CD1 4.26Å; L596-I599 WeakPolarHBondContact O-CG1 3.41Å; I599-N601 PolarHBondContact O-N 3.22Å; I599-N601 VanDerWaalsContact O-N 3.08Å; I599-H602 PolarHBondContact O-N 3.05Å; I599-M603 HydrophobicContact CD1-SD 4.08Å; I599-M603 HydrophobicContact CG1-SD 4.4Å; I599-M603 PolarHBondContact O-N 3.26Å |
| 600 | A | 89 | Confident | 87.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L596 E598 H602 L608 I639 L642 K646 | L596-A600 WeakPolarHBondContact O-CB 3.43Å; L596-A600 PolarHBondContact O-N 2.8Å; E598-A600 VanDerWaalsContact C-N 3.35Å; E598-A600 PolarHBondContact O-N 2.75Å; A600-H602 PolarHBondContact O-N 3.33Å; A600-L608 HydrophobicContact CB-CD2 3.71Å; A600-I639 HydrophobicContact CB-CG1 4.24Å; A600-L642 HydrophobicContact CB-CD1 4.23Å; A600-K646 PolarHBondContact O-NZ 2.79Å |
| 601 | N | 86.2 | Confident | 87.2 | Confident | 65 Ų | 65 | 28.5 Ų | 28.5 | 35% | 0.348 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.8 | 172.7 | -62.3 | -63.2 | 0 | 0 | 0 | 112.3 | L597 E598 I599 K646 | L597-N601 PolarHBondContact O-ND2 3.17Å; E598-N601 PolarHBondContact O-ND2 3.28Å; E598-N601 VanDerWaalsContact O-ND2 3.09Å; I599-N601 PolarHBondContact O-N 3.22Å; I599-N601 VanDerWaalsContact O-N 3.08Å; N601-K646 VanDerWaalsContact C-NZ 3.32Å; N601-K646 WeakPolarHBondContact O-CE 3.39Å; N601-K646 PolarHBondContact O-NZ 3.45Å |
| 602 | H | 87.4 | Confident | 87.2 | Confident | 66 Ų | 66 | 27.4 Ų | 27.4 | 31% | 0.306 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -14.8 | -171.8 | -53.3 | -67.9 | 0 | 0 | 0 | 114.6 | L514 S515 A518 I599 A600 | L514-H602 VanDerWaalsContact CD2-ND1 3.28Å; L514-H602 WeakPolarHBondContact CD2-ND1 3.49Å; L514-H602 HydrophobicContact CG-CB 4.25Å; S515-H602 WeakPolarHBondContact CB-O 3.21Å; A518-H602 HydrophobicContact CB-CB 3.86Å; I599-H602 PolarHBondContact O-N 3.05Å; A600-H602 PolarHBondContact O-N 3.33Å |
| 603 | M | 87.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -80.4 | 155.4 | 177.1 | -63.2 | 177.9 | 70.3 | 0 | 0 | 113.4 | A518 V519 C522 I599 L607 L608 V612 K646 | A518-M603 HydrophobicContact CB-CG 3.96Å; V519-M603 HydrophobicContact CG2-CE 4.35Å; V519-M603 HydrophobicContact CG2-CG 4.48Å; C522-M603 HydrophobicContact CB-CE 3.82Å; C522-M603 HydrophobicContact CB-SD 3.86Å; I599-M603 HydrophobicContact CD1-SD 4.08Å; I599-M603 HydrophobicContact CG1-SD 4.4Å; I599-M603 PolarHBondContact O-N 3.26Å; M603-L607 HydrophobicContact CE-CB 3.89Å; M603-L608 HydrophobicContact CB-CD2 3.93Å; M603-L608 HydrophobicContact CB-CG 4.18Å; M603-L608 HydrophobicContact SD-CD2 4.16Å; M603-V612 HydrophobicContact CE-CG2 4.31Å; M603-V612 HydrophobicContact SD-CG2 4.31Å; M603-K646 PolarHBondContact O-NZ 3.28Å |
| 604 | Q | 85.2 | Confident | 87.1 | Confident | 83 Ų | 83 | 29.6 Ų | 29.6 | 39% | 0.388 | 15% | 0.152 | S | C | . | . | trans | -71.2 | 153.8 | 172.7 | -65.6 | -177.6 | -11.4 | 0 | 0 | 112.2 | N606 L607 L608 F653 | Q604-N606 WeakPolarHBondContact CB-OD1 3.38Å; Q604-N606 PolarHBondContact O-N 3.04Å; Q604-L607 HydrophobicContact CB-CD1 4.4Å; Q604-L607 HydrophobicContact CB-CG 4.44Å; Q604-L607 PolarHBondContact O-N 3.43Å; Q604-L608 PolarHBondContact O-N 3.08Å; Q604-L608 VanDerWaalsContact O-N 3.15Å; Q604-F653 HydrophobicContact CB-CE1 4.04Å; Q604-F653 HydrophobicContact CB-CZ 4.2Å; Q604-F653 HydrophobicContact CG-CE1 4.09Å; Q604-F653 HydrophobicContact CG-CZ 3.93Å | ||
| 605 | P | 85.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | -173.7 | -24.3 | 35.6 | 0 | 0 | 0 | 114.7 | L607 L608 M609 V643 K646 F653 | P605-L607 VanDerWaalsContact C-N 3.35Å; P605-L607 PolarHBondContact O-N 3.07Å; P605-L608 WeakPolarHBondContact O-CB 3.36Å; P605-L608 PolarHBondContact O-N 2.87Å; P605-M609 VanDerWaalsContact O-CG 3.31Å; P605-M609 WeakPolarHBondContact O-CG 3.26Å; P605-M609 PolarHBondContact O-N 3.43Å; P605-V643 HydrophobicContact CB-CG1 4.35Å; P605-K646 HydrophobicContact CG-CB 3.74Å; P605-K646 HydrophobicContact CG-CD 4.22Å; P605-F653 HydrophobicContact CB-CB 4.33Å; P605-F653 HydrophobicContact CG-CB 3.98Å; P605-F653 HydrophobicContact CG-CD1 4.42Å; P605-F653 HydrophobicContact CG-CD2 3.82Å; P605-F653 HydrophobicContact CG-CE2 4.42Å; P605-F653 HydrophobicContact CG-CG 3.83Å |
| 606 | N | 84.2 | Confident | 86.8 | Confident | 39 Ų | 39 | 27.7 Ų | 27.7 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55 | -46.9 | 172.6 | 56.2 | -16.4 | 0 | 0 | 0 | 111.9 | Q604 L608 M609 D610 | Q604-N606 WeakPolarHBondContact CB-OD1 3.38Å; Q604-N606 PolarHBondContact O-N 3.04Å; N606-L608 VanDerWaalsContact C-N 3.29Å; N606-L608 PolarHBondContact O-N 2.88Å; N606-M609 WeakPolarHBondContact O-CB 3.34Å; N606-M609 PolarHBondContact O-N 3.44Å; N606-M609 VanDerWaalsContact O-N 3.13Å; N606-D610 WeakPolarHBondContact O-CB 3.41Å; N606-D610 PolarHBondContact O-N 3Å |
| 607 | L | 85.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 28.2 Ų | 28.2 | 9% | 0.094 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -27.7 | 179.5 | -59.3 | 179.1 | 0 | 0 | 0 | 112.7 | V519 M603 Q604 P605 R611 | V519-L607 HydrophobicContact CG1-CD1 4.46Å; V519-L607 HydrophobicContact CG2-CD1 3.5Å; M603-L607 HydrophobicContact CE-CB 3.89Å; Q604-L607 HydrophobicContact CB-CD1 4.4Å; Q604-L607 HydrophobicContact CB-CG 4.44Å; Q604-L607 PolarHBondContact O-N 3.43Å; P605-L607 VanDerWaalsContact C-N 3.35Å; P605-L607 PolarHBondContact O-N 3.07Å; L607-R611 WeakPolarHBondContact O-CA 3.47Å; L607-R611 WeakPolarHBondContact O-CB 3.47Å; L607-R611 PolarHBondContact O-N 3.4Å |
| 608 | L | 88.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 170.4 | -65.9 | 174.4 | 0 | 0 | 0 | 111.7 | A600 M603 Q604 P605 N606 V612 I613 I639 V643 | A600-L608 HydrophobicContact CB-CD2 3.71Å; M603-L608 HydrophobicContact CB-CD2 3.93Å; M603-L608 HydrophobicContact CB-CG 4.18Å; M603-L608 HydrophobicContact SD-CD2 4.16Å; Q604-L608 PolarHBondContact O-N 3.08Å; Q604-L608 VanDerWaalsContact O-N 3.15Å; P605-L608 WeakPolarHBondContact O-CB 3.36Å; P605-L608 PolarHBondContact O-N 2.87Å; N606-L608 VanDerWaalsContact C-N 3.29Å; N606-L608 PolarHBondContact O-N 2.88Å; L608-V612 HydrophobicContact CD2-CG2 4Å; L608-V612 WeakPolarHBondContact O-CB 3.49Å; L608-V612 PolarHBondContact O-N 2.91Å; L608-V612 VanDerWaalsContact O-N 3.12Å; L608-I613 PolarHBondContact O-N 3.42Å; L608-I639 HydrophobicContact CB-CG2 4.11Å; L608-I639 HydrophobicContact CD2-CG2 4.33Å; L608-V643 HydrophobicContact CB-CG2 3.84Å; L608-V643 HydrophobicContact CD1-CG2 3.86Å |
| 609 | M | 86.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -47 | 177.2 | -63.9 | -76 | -68.9 | 0 | 0 | 111.6 | P605 N606 I613 P614 V643 F661 | P605-M609 VanDerWaalsContact O-CG 3.31Å; P605-M609 WeakPolarHBondContact O-CG 3.26Å; P605-M609 PolarHBondContact O-N 3.43Å; N606-M609 WeakPolarHBondContact O-CB 3.34Å; N606-M609 PolarHBondContact O-N 3.44Å; N606-M609 VanDerWaalsContact O-N 3.13Å; M609-I613 HydrophobicContact SD-CD1 3.66Å; M609-P614 VanDerWaalsContact O-CD 3.24Å; M609-P614 WeakPolarHBondContact O-CD 3.39Å; M609-V643 HydrophobicContact CG-CG1 4.42Å; M609-V643 HydrophobicContact CG-CG2 4.44Å; M609-V643 HydrophobicContact SD-CG1 4.14Å; M609-V643 HydrophobicContact SD-CG2 4.44Å; M609-F661 HydrophobicContact CE-CD1 3.7Å; M609-F661 HydrophobicContact CE-CD2 3.7Å; M609-F661 HydrophobicContact CE-CE1 3.63Å; M609-F661 HydrophobicContact CE-CE2 3.62Å; M609-F661 HydrophobicContact CE-CG 3.74Å; M609-F661 HydrophobicContact CE-CZ 3.59Å; M609-F661 HydrophobicContact SD-CE1 4.28Å; M609-F661 HydrophobicContact SD-CZ 4.13Å |
| 610 | D | 83.2 | Confident | 86.6 | Confident | 102 Ų | 102 | 27.9 Ų | 27.9 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -81.5 | -36.8 | -175.1 | -69.2 | -20.2 | 0 | 0 | 0 | 113.9 | N606 | N606-D610 WeakPolarHBondContact O-CB 3.41Å; N606-D610 PolarHBondContact O-N 3Å |
| 611 | R | 83.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -108.2 | -14.8 | -171 | -54.7 | -168.9 | 178.6 | -166.1 | 0.3 | 115 | F120 D125 N523 I526 L607 Y615 | F120-R611 PolarHBondContact O-NH2 2.93Å; D125-R611 IonicContact OD1-NH1 2.85Å; D125-R611 PolarHBondContact OD1-NH1 2.86Å; D125-R611 IonicContact OD2-CZ 2.68Å; D125-R611 VanDerWaalsContact OD2-CZ 3.28Å; D125-R611 IonicContact OD2-NH1 3.48Å; D125-R611 PolarHBondContact OD2-NH1 2.81Å; D125-R611 IonicContact OD2-NH2 3.17Å; D125-R611 PolarHBondContact OD2-NH2 3.16Å; N523-R611 PolarHBondContact OD1-NH1 2.92Å; I526-R611 HydrophobicContact CD1-CB 4.02Å; I526-R611 WeakPolarHBondContact CD1-O 3.13Å; L607-R611 WeakPolarHBondContact O-CA 3.47Å; L607-R611 WeakPolarHBondContact O-CB 3.47Å; L607-R611 PolarHBondContact O-N 3.4Å; R611-Y615 WeakPolarHBondContact O-CD2 3.45Å; R611-Y615 WeakPolarHBondContact O-CE2 3.28Å |
| 612 | V | 87.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -48.6 | -173.9 | -164.8 | 0 | 0 | 0 | 0 | 112.6 | L596 M603 L608 Y615 C616 I639 | L596-V612 HydrophobicContact CB-CG1 4.42Å; L596-V612 HydrophobicContact CD1-CG1 4.15Å; L596-V612 HydrophobicContact CD2-CG1 4.3Å; M603-V612 HydrophobicContact CE-CG2 4.31Å; M603-V612 HydrophobicContact SD-CG2 4.31Å; L608-V612 HydrophobicContact CD2-CG2 4Å; L608-V612 WeakPolarHBondContact O-CB 3.49Å; L608-V612 PolarHBondContact O-N 2.91Å; L608-V612 VanDerWaalsContact O-N 3.12Å; V612-Y615 PolarHBondContact O-N 3.04Å; V612-C616 PolarHBondContact O-N 3.44Å; V612-C616 VanDerWaalsContact O-N 3.07Å; V612-I639 HydrophobicContact CG1-CD1 3.65Å |
| 613 | I | 89.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.2 | -42.3 | 179.6 | -67 | -179 | 0 | 0 | 0 | 113 | L608 M609 Y615 C616 M617 L636 I639 F661 Y665 | L608-I613 PolarHBondContact O-N 3.42Å; M609-I613 HydrophobicContact SD-CD1 3.66Å; I613-Y615 PolarHBondContact O-N 3.32Å; I613-C616 PolarHBondContact O-N 3.38Å; I613-M617 HydrophobicContact CG2-CG 4.18Å; I613-M617 WeakPolarHBondContact O-CG 3.46Å; I613-M617 PolarHBondContact O-N 3.5Å; I613-L636 HydrophobicContact CG2-CD1 4.15Å; I613-I639 HydrophobicContact CD1-CG2 4.5Å; I613-I639 HydrophobicContact CG1-CG2 4.08Å; I613-F661 HydrophobicContact CD1-CZ 4.18Å; I613-F661 HydrophobicContact CG2-CZ 4.29Å; I613-Y665 HydrophobicContact CG2-CE1 4.42Å |
| 614 | P | 87.1 | Confident | 85.9 | Confident | 44 Ų | 44 | 33.8 Ų | 33.8 | 29% | 0.286 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.3 | -38.5 | -179.5 | -27.8 | 37.4 | 0 | 0 | 0 | 113.9 | M609 M617 E618 | M609-P614 VanDerWaalsContact O-CD 3.24Å; M609-P614 WeakPolarHBondContact O-CD 3.39Å; P614-M617 WeakPolarHBondContact O-CB 3.21Å; P614-M617 PolarHBondContact O-N 3.45Å; P614-E618 PolarHBondContact O-N 3.18Å |
| 615 | Y | 83.4 | Confident | 86 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.2 | -32.5 | 175.9 | -55.1 | -77.4 | 0 | 0 | 0 | 111.9 | I526 R530 R611 V612 I613 M617 E618 L619 | I526-Y615 HydrophobicContact CB-CE2 4.4Å; I526-Y615 HydrophobicContact CD1-CD2 4.28Å; I526-Y615 HydrophobicContact CD1-CE2 3.92Å; I526-Y615 HydrophobicContact CG1-CD2 4.03Å; I526-Y615 HydrophobicContact CG1-CE2 3.94Å; I526-Y615 HydrophobicContact CG2-CD2 4.25Å; I526-Y615 HydrophobicContact CG2-CE1 3.96Å; I526-Y615 HydrophobicContact CG2-CE2 3.56Å; I526-Y615 WeakPolarHBondContact CG2-OH 3.46Å; R530-Y615 HydrophobicContact CG-CE1 3.8Å; R530-Y615 PolarHBondContact NE-OH 3.09Å; R530-Y615 PolarHBondContact NH2-OH 3.48Å; R611-Y615 WeakPolarHBondContact O-CD2 3.45Å; R611-Y615 WeakPolarHBondContact O-CE2 3.28Å; V612-Y615 PolarHBondContact O-N 3.04Å; I613-Y615 PolarHBondContact O-N 3.32Å; Y615-M617 VanDerWaalsContact C-N 3.29Å; Y615-M617 PolarHBondContact O-N 3.28Å; Y615-E618 PolarHBondContact O-N 3.4Å; Y615-L619 WeakPolarHBondContact O-CB 3.48Å; Y615-L619 WeakPolarHBondContact O-CD1 3.19Å; Y615-L619 WeakPolarHBondContact O-CG 3.49Å; Y615-L619 PolarHBondContact O-N 2.72Å |
| 616 | C | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 168.2 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | V612 I613 L619 T620 L636 | V612-C616 PolarHBondContact O-N 3.44Å; V612-C616 VanDerWaalsContact O-N 3.07Å; I613-C616 PolarHBondContact O-N 3.38Å; C616-L619 PolarHBondContact O-N 3.22Å; C616-T620 WeakPolarHBondContact O-CG2 3.43Å; C616-T620 PolarHBondContact O-N 3.31Å; C616-L636 HydrophobicContact CB-CB 4.07Å; C616-L636 HydrophobicContact CB-CD1 4.44Å |
| 617 | M | 88.2 | Confident | 86.1 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 174.6 | -71.9 | -56.6 | -47.4 | 0 | 0 | 112.3 | I613 P614 Y615 L619 T620 L636 Y665 L666 N669 L670 | I613-M617 HydrophobicContact CG2-CG 4.18Å; I613-M617 WeakPolarHBondContact O-CG 3.46Å; I613-M617 PolarHBondContact O-N 3.5Å; P614-M617 WeakPolarHBondContact O-CB 3.21Å; P614-M617 PolarHBondContact O-N 3.45Å; Y615-M617 VanDerWaalsContact C-N 3.29Å; Y615-M617 PolarHBondContact O-N 3.28Å; M617-L619 PolarHBondContact O-N 3.18Å; M617-T620 WeakPolarHBondContact O-CB 3.33Å; M617-T620 PolarHBondContact O-N 3Å; M617-T620 PolarHBondContact O-OG1 3.15Å; M617-L636 HydrophobicContact CG-CD1 3.87Å; M617-L636 HydrophobicContact SD-CD1 3.21Å; M617-L636 WeakPolarHBondContact SD-CD1 3.13Å; M617-Y665 HydrophobicContact CG-CE1 4.15Å; M617-L666 HydrophobicContact SD-CD1 4.17Å; M617-N669 HydrophobicContact CE-CB 3.36Å; M617-L670 HydrophobicContact CE-CD2 3.97Å; M617-L670 HydrophobicContact CE-CG 4.22Å; M617-L670 HydrophobicContact SD-CD2 3.95Å; M617-L670 HydrophobicContact SD-CG 4.32Å |
| 618 | E | 86.5 | Confident | 86.3 | Confident | 70 Ų | 70 | 34.8 Ų | 34.8 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.7 | -41.3 | 173.7 | -175.4 | 175.8 | -154.9 | 0 | 0 | 111.5 | P531 P614 Y615 T620 T621 | P531-E618 VanDerWaalsContact CD-OE1 3.25Å; P531-E618 WeakPolarHBondContact CD-OE1 3.29Å; P531-E618 WeakPolarHBondContact CG-OE1 3.26Å; P614-E618 PolarHBondContact O-N 3.18Å; Y615-E618 PolarHBondContact O-N 3.4Å; E618-T620 PolarHBondContact O-N 2.94Å; E618-T621 WeakPolarHBondContact O-CB 3.35Å; E618-T621 WeakPolarHBondContact O-CG2 3.31Å; E618-T621 PolarHBondContact O-N 3.38Å; E618-T621 PolarHBondContact O-OG1 2.95Å |
| 619 | L | 87.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -9.8 | 177.1 | -70.3 | 167.5 | 0 | 0 | 0 | 114.3 | L529 K589 L593 Y615 C616 M617 V628 A632 | L529-L619 HydrophobicContact CD1-CD1 4.33Å; L529-L619 HydrophobicContact CD2-CD1 3.97Å; L529-L619 HydrophobicContact CD2-CD2 4.43Å; K589-L619 HydrophobicContact CD-CD2 4.06Å; K589-L619 HydrophobicContact CG-CD2 4.34Å; L593-L619 HydrophobicContact CD1-CD1 4.15Å; L593-L619 HydrophobicContact CD2-CD1 3.78Å; L593-L619 HydrophobicContact CG-CD1 3.95Å; Y615-L619 WeakPolarHBondContact O-CB 3.48Å; Y615-L619 WeakPolarHBondContact O-CD1 3.19Å; Y615-L619 WeakPolarHBondContact O-CG 3.49Å; Y615-L619 PolarHBondContact O-N 2.72Å; C616-L619 PolarHBondContact O-N 3.22Å; M617-L619 PolarHBondContact O-N 3.18Å; L619-V628 HydrophobicContact CB-CG1 4.38Å; L619-V628 HydrophobicContact CD2-CG1 4.01Å; L619-A632 HydrophobicContact CB-CB 3.78Å |
| 620 | T | 88.1 | Confident | 86.7 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -5.2 | 168.3 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | C616 M617 E618 R629 A632 I633 L673 | C616-T620 WeakPolarHBondContact O-CG2 3.43Å; C616-T620 PolarHBondContact O-N 3.31Å; M617-T620 WeakPolarHBondContact O-CB 3.33Å; M617-T620 PolarHBondContact O-N 3Å; M617-T620 PolarHBondContact O-OG1 3.15Å; E618-T620 PolarHBondContact O-N 2.94Å; T620-R629 WeakPolarHBondContact O-CD 3.48Å; T620-A632 HydrophobicContact CG2-CB 4.01Å; T620-I633 HydrophobicContact CG2-CG1 3.9Å; T620-L673 HydrophobicContact CG2-CD1 4.07Å; T620-L673 WeakPolarHBondContact O-CD2 3.33Å |
| 621 | T | 86 | Confident | 87.1 | Confident | 62 Ų | 62 | 31.3 Ų | 31.3 | 38% | 0.38 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -66.9 | 149.9 | -179.2 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | E618 S623 H624 R629 | E618-T621 WeakPolarHBondContact O-CB 3.35Å; E618-T621 WeakPolarHBondContact O-CG2 3.31Å; E618-T621 PolarHBondContact O-N 3.38Å; E618-T621 PolarHBondContact O-OG1 2.95Å; T621-S623 PolarHBondContact O-N 2.88Å; T621-S623 PolarHBondContact OG1-OG 2.98Å; T621-H624 PolarHBondContact O-N 3.29Å; T621-R629 WeakPolarHBondContact O-CD 3.43Å |
| 622 | L | 84.1 | Confident | 87.5 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 42% | 0.419 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -11.3 | -177.7 | -78.1 | 151.6 | 0 | 0 | 0 | 115.1 | H624 R629 P677 V1420 | L622-H624 VanDerWaalsContact C-N 3.27Å; L622-H624 PolarHBondContact O-N 3.37Å; L622-R629 PolarHBondContact O-NH1 3.11Å; L622-P677 VanDerWaalsContact CD2-CD 3.42Å; L622-P677 HydrophobicContact CD2-CG 3.69Å; L622-V1420 HydrophobicContact CB-CG1 4.48Å; L622-V1420 HydrophobicContact CB-CG2 4.32Å; L622-V1420 HydrophobicContact CD1-CG1 4.39Å; L622-V1420 HydrophobicContact CD2-CG2 4.48Å |
| 623 | S | 81.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 30.9 Ų | 30.9 | 63% | 0.629 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.4 | -178.9 | 74.6 | 0 | 0 | 0 | 0 | 115.2 | T621 | T621-S623 PolarHBondContact O-N 2.88Å; T621-S623 PolarHBondContact OG1-OG 2.98Å |
| 624 | H | 84.2 | Confident | 87.8 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 13% | 0.125 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -124.3 | 164 | -178.8 | -54.7 | -24.7 | 0 | 0 | 0 | 112.3 | K589 T621 L622 V628 R629 | K589-H624 PolarHBondContact NZ-CE1 2.88Å; K589-H624 PolarHBondContact NZ-ND1 3.13Å; K589-H624 VanDerWaalsContact NZ-ND1 3.13Å; T621-H624 PolarHBondContact O-N 3.29Å; L622-H624 VanDerWaalsContact C-N 3.27Å; L622-H624 PolarHBondContact O-N 3.37Å; H624-V628 HydrophobicContact CB-CB 4.21Å; H624-V628 HydrophobicContact CB-CG1 3.92Å; H624-R629 PolarHBondContact O-NH1 3.16Å |
| 625 | S | 86.3 | Confident | 88 | Confident | 39 Ų | 39 | 31.6 Ų | 31.6 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | trans | -59 | 153 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | E586 E627 V628 R629 | E586-S625 WeakPolarHBondContact OE2-CB 3.47Å; E586-S625 PolarHBondContact OE2-N 3.1Å; E586-S625 PolarHBondContact OE2-OG 3.06Å; S625-E627 PolarHBondContact O-N 3.16Å; S625-V628 PolarHBondContact O-N 3.49Å; S625-V628 VanDerWaalsContact O-N 3.16Å; S625-V628 WeakPolarHBondContact OG-CB 3.27Å; S625-V628 VanDerWaalsContact OG-CG2 3.3Å; S625-V628 WeakPolarHBondContact OG-CG2 3.48Å; S625-V628 PolarHBondContact OG-N 3.16Å; S625-R629 WeakPolarHBondContact O-CG 3.45Å; S625-R629 PolarHBondContact O-N 3.48Å | ||
| 626 | G | 85 | Confident | 88.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -27 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S630 E680 V681 | G626-S630 WeakPolarHBondContact O-CB 3.44Å; G626-S630 PolarHBondContact O-N 3.4Å; G626-S630 PolarHBondContact O-OG 2.84Å; G626-E680 WeakPolarHBondContact CA-OE1 3.47Å; G626-V681 WeakPolarHBondContact O-CG2 3.41Å |
| 627 | E | 86.8 | Confident | 88.6 | Confident | 123 Ų | 123 | 30.7 Ų | 30.7 | 58% | 0.575 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -63.2 | -50.4 | 169.2 | -63.9 | -169.6 | 174.4 | 0 | 0 | 111.6 | I590 S625 S630 L631 | I590-E627 HydrophobicContact CD1-CB 4.01Å; S625-E627 PolarHBondContact O-N 3.16Å; E627-S630 PolarHBondContact O-N 3.45Å; E627-L631 WeakPolarHBondContact O-CB 3.43Å; E627-L631 PolarHBondContact O-N 3.07Å |
| 628 | V | 89.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.8 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | E586 K589 I590 L619 H624 S625 S630 L631 A632 | E586-V628 HydrophobicContact CB-CG2 4.28Å; E586-V628 WeakPolarHBondContact O-CG2 3.46Å; E586-V628 WeakPolarHBondContact OE2-CG2 3.11Å; K589-V628 HydrophobicContact CB-CG1 4.25Å; K589-V628 HydrophobicContact CB-CG2 3.87Å; K589-V628 HydrophobicContact CD-CG1 4.23Å; K589-V628 HydrophobicContact CD-CG2 4.33Å; I590-V628 HydrophobicContact CD1-CG2 4.34Å; I590-V628 HydrophobicContact CG1-CG2 3.9Å; L619-V628 HydrophobicContact CB-CG1 4.38Å; L619-V628 HydrophobicContact CD2-CG1 4.01Å; H624-V628 HydrophobicContact CB-CB 4.21Å; H624-V628 HydrophobicContact CB-CG1 3.92Å; S625-V628 PolarHBondContact O-N 3.49Å; S625-V628 VanDerWaalsContact O-N 3.16Å; S625-V628 WeakPolarHBondContact OG-CB 3.27Å; S625-V628 VanDerWaalsContact OG-CG2 3.3Å; S625-V628 WeakPolarHBondContact OG-CG2 3.48Å; S625-V628 PolarHBondContact OG-N 3.16Å; V628-S630 VanDerWaalsContact C-N 3.34Å; V628-S630 PolarHBondContact O-N 2.66Å; V628-L631 PolarHBondContact O-N 3.3Å; V628-A632 VanDerWaalsContact O-CB 3.29Å; V628-A632 WeakPolarHBondContact O-CB 3.46Å; V628-A632 PolarHBondContact O-N 2.61Å |
| 629 | R | 92.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -43 | 177.3 | -67.3 | -156.1 | -65.8 | -101 | 17.2 | 112 | T620 T621 L622 H624 S625 A632 I633 D676 V681 | T620-R629 WeakPolarHBondContact O-CD 3.48Å; T621-R629 WeakPolarHBondContact O-CD 3.43Å; L622-R629 PolarHBondContact O-NH1 3.11Å; H624-R629 PolarHBondContact O-NH1 3.16Å; S625-R629 WeakPolarHBondContact O-CG 3.45Å; S625-R629 PolarHBondContact O-N 3.48Å; R629-A632 PolarHBondContact O-N 3.42Å; R629-I633 WeakPolarHBondContact O-CD1 3.47Å; R629-I633 VanDerWaalsContact O-CG1 3.29Å; R629-I633 WeakPolarHBondContact O-CG1 3.29Å; R629-I633 PolarHBondContact O-N 3.29Å; R629-I633 VanDerWaalsContact O-N 3.17Å; R629-D676 IonicContact CZ-OD1 2.67Å; R629-D676 IonicContact CZ-OD2 3.98Å; R629-D676 IonicContact NE-OD1 3.43Å; R629-D676 IonicContact NE-OD2 3.98Å; R629-D676 PolarHBondContact NE-OD2 3.36Å; R629-D676 VanDerWaalsContact NH2-CG 3.26Å; R629-D676 IonicContact NH2-OD1 3.83Å; R629-D676 PolarHBondContact NH2-OD1 3.26Å; R629-D676 IonicContact NH2-OD2 3.39Å; R629-D676 PolarHBondContact NH2-OD2 3.33Å; R629-V681 HydrophobicContact CB-CG1 4.14Å; R629-V681 HydrophobicContact CB-CG2 3.77Å |
| 630 | S | 91.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | G626 E627 V628 A632 I633 E634 E680 V681 T684 | G626-S630 WeakPolarHBondContact O-CB 3.44Å; G626-S630 PolarHBondContact O-N 3.4Å; G626-S630 PolarHBondContact O-OG 2.84Å; E627-S630 PolarHBondContact O-N 3.45Å; V628-S630 VanDerWaalsContact C-N 3.34Å; V628-S630 PolarHBondContact O-N 2.66Å; S630-A632 VanDerWaalsContact C-N 3.3Å; S630-A632 PolarHBondContact O-N 3Å; S630-I633 PolarHBondContact O-N 3.42Å; S630-E634 PolarHBondContact O-N 3.23Å; S630-E680 PolarHBondContact OG-O 2.81Å; S630-V681 WeakPolarHBondContact OG-CA 3.39Å; S630-T684 WeakPolarHBondContact CB-OG1 3.48Å; S630-T684 WeakPolarHBondContact O-CG2 3.48Å; S630-T684 PolarHBondContact OG-OG1 2.92Å |
| 631 | L | 90.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 18% | 0.183 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 178.5 | -175.6 | 61.2 | 0 | 0 | 0 | 111.8 | I590 L593 E627 V628 I633 E634 S635 | I590-L631 HydrophobicContact CB-CD2 4.12Å; I590-L631 HydrophobicContact CG1-CD2 4.1Å; I590-L631 HydrophobicContact CG2-CD2 3.83Å; L593-L631 HydrophobicContact CB-CD2 3.92Å; L593-L631 HydrophobicContact CB-CG 4.17Å; L593-L631 HydrophobicContact CD1-CB 4.15Å; L593-L631 HydrophobicContact CD1-CD2 4.06Å; L593-L631 HydrophobicContact CD1-CG 3.95Å; E627-L631 WeakPolarHBondContact O-CB 3.43Å; E627-L631 PolarHBondContact O-N 3.07Å; V628-L631 PolarHBondContact O-N 3.3Å; L631-I633 VanDerWaalsContact C-N 3.33Å; L631-I633 PolarHBondContact O-N 2.95Å; L631-E634 PolarHBondContact O-N 2.61Å; L631-S635 VanDerWaalsContact O-CB 3.25Å; L631-S635 WeakPolarHBondContact O-CB 3.32Å; L631-S635 PolarHBondContact O-N 3.09Å; L631-S635 PolarHBondContact O-OG 2.88Å |
| 632 | A | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L593 L619 T620 V628 R629 S630 L636 | L593-A632 HydrophobicContact CD1-CB 4.2Å; L619-A632 HydrophobicContact CB-CB 3.78Å; T620-A632 HydrophobicContact CG2-CB 4.01Å; V628-A632 VanDerWaalsContact O-CB 3.29Å; V628-A632 WeakPolarHBondContact O-CB 3.46Å; V628-A632 PolarHBondContact O-N 2.61Å; R629-A632 PolarHBondContact O-N 3.42Å; S630-A632 VanDerWaalsContact C-N 3.3Å; S630-A632 PolarHBondContact O-N 3Å; A632-L636 VanDerWaalsContact O-CB 3.26Å; A632-L636 WeakPolarHBondContact O-CB 3.46Å; A632-L636 PolarHBondContact O-N 3.11Å |
| 633 | I | 92.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.3 | -44.3 | 174.7 | -62.3 | 161.2 | 0 | 0 | 0 | 111.5 | T620 R629 S630 L631 T637 L673 V681 T684 L685 C688 | T620-I633 HydrophobicContact CG2-CG1 3.9Å; R629-I633 WeakPolarHBondContact O-CD1 3.47Å; R629-I633 VanDerWaalsContact O-CG1 3.29Å; R629-I633 WeakPolarHBondContact O-CG1 3.29Å; R629-I633 PolarHBondContact O-N 3.29Å; R629-I633 VanDerWaalsContact O-N 3.17Å; S630-I633 PolarHBondContact O-N 3.42Å; L631-I633 VanDerWaalsContact C-N 3.33Å; L631-I633 PolarHBondContact O-N 2.95Å; I633-T637 WeakPolarHBondContact O-CB 3.41Å; I633-T637 PolarHBondContact O-N 3.06Å; I633-T637 PolarHBondContact O-OG1 2.89Å; I633-L673 HydrophobicContact CD1-CD1 3.89Å; I633-L673 HydrophobicContact CG1-CD1 4.01Å; I633-V681 HydrophobicContact CD1-CG1 3.63Å; I633-T684 HydrophobicContact CB-CG2 4.27Å; I633-T684 HydrophobicContact CG2-CG2 4.3Å; I633-L685 HydrophobicContact CG2-CD1 4.47Å; I633-C688 HydrophobicContact CG2-CB 3.98Å |
| 634 | E | 91.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 28% | 0.28 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.2 | -65.3 | -152.7 | 137.1 | 0 | 0 | 111 | S630 L631 T637 H638 T684 R687 | S630-E634 PolarHBondContact O-N 3.23Å; L631-E634 PolarHBondContact O-N 2.61Å; E634-T637 PolarHBondContact O-N 3.3Å; E634-H638 WeakPolarHBondContact O-CB 3.49Å; E634-H638 PolarHBondContact O-N 3.05Å; E634-T684 HydrophobicContact CG-CG2 3.51Å; E634-R687 IonicContact OE1-CZ 3.16Å; E634-R687 IonicContact OE1-NE 3.48Å; E634-R687 IonicContact OE1-NH2 2.77Å; E634-R687 PolarHBondContact OE1-NH2 3.35Å |
| 635 | S | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 177.2 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | L597 L631 T637 H638 I639 | L597-S635 VanDerWaalsContact CD1-OG 3.27Å; L597-S635 WeakPolarHBondContact CD1-OG 3.38Å; L631-S635 VanDerWaalsContact O-CB 3.25Å; L631-S635 WeakPolarHBondContact O-CB 3.32Å; L631-S635 PolarHBondContact O-N 3.09Å; L631-S635 PolarHBondContact O-OG 2.88Å; S635-T637 VanDerWaalsContact C-N 3.33Å; S635-T637 PolarHBondContact O-N 3.39Å; S635-H638 PolarHBondContact O-N 3.19Å; S635-I639 WeakPolarHBondContact O-CB 3.31Å; S635-I639 WeakPolarHBondContact O-CD1 3.35Å; S635-I639 VanDerWaalsContact O-CG1 3.27Å; S635-I639 WeakPolarHBondContact O-CG1 3.21Å; S635-I639 PolarHBondContact O-N 2.91Å |
| 636 | L | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.5 | 175.5 | 152.5 | 0 | 0 | 0 | 111.7 | I613 C616 M617 A632 H638 I639 F640 L666 L692 | I613-L636 HydrophobicContact CG2-CD1 4.15Å; C616-L636 HydrophobicContact CB-CB 4.07Å; C616-L636 HydrophobicContact CB-CD1 4.44Å; M617-L636 HydrophobicContact CG-CD1 3.87Å; M617-L636 HydrophobicContact SD-CD1 3.21Å; M617-L636 WeakPolarHBondContact SD-CD1 3.13Å; A632-L636 VanDerWaalsContact O-CB 3.26Å; A632-L636 WeakPolarHBondContact O-CB 3.46Å; A632-L636 PolarHBondContact O-N 3.11Å; L636-H638 VanDerWaalsContact C-N 3.27Å; L636-H638 PolarHBondContact O-N 2.93Å; L636-I639 PolarHBondContact O-N 3.21Å; L636-F640 VanDerWaalsContact O-CB 3.29Å; L636-F640 WeakPolarHBondContact O-CB 3.24Å; L636-F640 PolarHBondContact O-N 2.89Å; L636-L666 HydrophobicContact CD1-CD1 4.04Å; L636-L666 HydrophobicContact CD2-CD1 4.09Å; L636-L692 HydrophobicContact CD2-CD2 4.14Å |
| 637 | T | 92.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | I633 E634 S635 K641 C688 I691 L692 | I633-T637 WeakPolarHBondContact O-CB 3.41Å; I633-T637 PolarHBondContact O-N 3.06Å; I633-T637 PolarHBondContact O-OG1 2.89Å; E634-T637 PolarHBondContact O-N 3.3Å; S635-T637 VanDerWaalsContact C-N 3.33Å; S635-T637 PolarHBondContact O-N 3.39Å; T637-K641 VanDerWaalsContact O-CB 3.32Å; T637-K641 WeakPolarHBondContact O-CB 3.4Å; T637-K641 PolarHBondContact O-N 2.69Å; T637-C688 HydrophobicContact CG2-CB 4.15Å; T637-C688 WeakPolarHBondContact OG1-CB 3.5Å; T637-C688 PolarHBondContact OG1-SG 2.92Å; T637-I691 HydrophobicContact CG2-CB 3.85Å; T637-I691 HydrophobicContact CG2-CD1 4.39Å; T637-I691 HydrophobicContact CG2-CG2 3.71Å; T637-L692 HydrophobicContact CG2-CD2 4.05Å; T637-L692 HydrophobicContact CG2-CG 4.16Å |
| 638 | H | 92.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 24.5 Ų | 24.5 | 27% | 0.273 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -71 | -47 | 175.2 | -168.8 | -95.4 | 0 | 0 | 0 | 112.5 | L597 E634 S635 L636 K641 L642 | L597-H638 HydrophobicContact CD2-CB 3.83Å; L597-H638 WeakPolarHBondContact CD2-ND1 3.36Å; E634-H638 WeakPolarHBondContact O-CB 3.49Å; E634-H638 PolarHBondContact O-N 3.05Å; S635-H638 PolarHBondContact O-N 3.19Å; L636-H638 VanDerWaalsContact C-N 3.27Å; L636-H638 PolarHBondContact O-N 2.93Å; H638-K641 WeakPolarHBondContact O-CB 3.17Å; H638-K641 PolarHBondContact O-N 2.95Å; H638-L642 WeakPolarHBondContact O-CG 3.47Å; H638-L642 PolarHBondContact O-N 2.8Å |
| 639 | I | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 179.7 | -68.7 | 159 | 0 | 0 | 0 | 110.8 | L597 A600 L608 V612 I613 S635 L636 K641 L642 V643 | L597-I639 HydrophobicContact CD2-CD1 4.42Å; L597-I639 HydrophobicContact CD2-CG1 4.11Å; A600-I639 HydrophobicContact CB-CG1 4.24Å; L608-I639 HydrophobicContact CB-CG2 4.11Å; L608-I639 HydrophobicContact CD2-CG2 4.33Å; V612-I639 HydrophobicContact CG1-CD1 3.65Å; I613-I639 HydrophobicContact CD1-CG2 4.5Å; I613-I639 HydrophobicContact CG1-CG2 4.08Å; S635-I639 WeakPolarHBondContact O-CB 3.31Å; S635-I639 WeakPolarHBondContact O-CD1 3.35Å; S635-I639 VanDerWaalsContact O-CG1 3.27Å; S635-I639 WeakPolarHBondContact O-CG1 3.21Å; S635-I639 PolarHBondContact O-N 2.91Å; L636-I639 PolarHBondContact O-N 3.21Å; I639-K641 VanDerWaalsContact C-N 3.34Å; I639-K641 PolarHBondContact O-N 2.91Å; I639-L642 WeakPolarHBondContact O-CB 3.48Å; I639-L642 PolarHBondContact O-N 3.42Å; I639-L642 VanDerWaalsContact O-N 3.13Å; I639-V643 WeakPolarHBondContact O-CG2 3.13Å; I639-V643 PolarHBondContact O-N 3.07Å |
| 640 | F | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.6 | -176.3 | -123.5 | 0 | 0 | 0 | 111.1 | L636 L642 V643 I644 F661 L662 L692 C695 F699 | L636-F640 VanDerWaalsContact O-CB 3.29Å; L636-F640 WeakPolarHBondContact O-CB 3.24Å; L636-F640 PolarHBondContact O-N 2.89Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 2.89Å; F640-V643 WeakPolarHBondContact O-CB 3.34Å; F640-V643 PolarHBondContact O-N 3.49Å; F640-I644 HydrophobicContact CE2-CD1 3.94Å; F640-I644 HydrophobicContact CZ-CD1 3.89Å; F640-I644 HydrophobicContact CZ-CG1 4.42Å; F640-I644 WeakPolarHBondContact O-CG1 3.49Å; F640-I644 PolarHBondContact O-N 2.68Å; F640-F661 HydrophobicContact CD2-CE1 4.45Å; F640-F661 HydrophobicContact CE2-CE1 4.17Å; F640-L662 HydrophobicContact CE1-CD2 4.36Å; F640-L662 HydrophobicContact CE2-CD2 4.16Å; F640-L662 HydrophobicContact CZ-CD2 3.65Å; F640-L692 HydrophobicContact CD1-CD2 4.2Å; F640-C695 HydrophobicContact CD1-CB 3.72Å; F640-C695 HydrophobicContact CE1-CB 3.51Å; F640-F699 AromaticContact CE2-CD2 3.92Å; F640-F699 HydrophobicContact CE2-CD2 3.92Å; F640-F699 HydrophobicContact CE2-CE2 4.24Å; F640-F699 HydrophobicContact CZ-CB 4.19Å; F640-F699 HydrophobicContact CZ-CD2 4.07Å; F640-F699 HydrophobicContact CZ-CG 4.27Å |
| 641 | K | 91.6 | Very high | 87.1 | Confident | 88 Ų | 88 | 39.3 Ų | 39.3 | 38% | 0.383 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 172.4 | -177.7 | -170.3 | 170.6 | -164.5 | 0 | 112.4 | T637 H638 I639 I644 Q645 | T637-K641 VanDerWaalsContact O-CB 3.32Å; T637-K641 WeakPolarHBondContact O-CB 3.4Å; T637-K641 PolarHBondContact O-N 2.69Å; H638-K641 WeakPolarHBondContact O-CB 3.17Å; H638-K641 PolarHBondContact O-N 2.95Å; I639-K641 VanDerWaalsContact C-N 3.34Å; I639-K641 PolarHBondContact O-N 2.91Å; K641-I644 PolarHBondContact O-N 3.42Å; K641-Q645 WeakPolarHBondContact O-CG 3.36Å; K641-Q645 PolarHBondContact O-N 3.07Å |
| 642 | L | 89.9 | Confident | 86 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 175 | -73.3 | 176.1 | 0 | 0 | 0 | 112.2 | A600 H638 I639 F640 Q645 K646 | A600-L642 HydrophobicContact CB-CD1 4.23Å; H638-L642 WeakPolarHBondContact O-CG 3.47Å; H638-L642 PolarHBondContact O-N 2.8Å; I639-L642 WeakPolarHBondContact O-CB 3.48Å; I639-L642 PolarHBondContact O-N 3.42Å; I639-L642 VanDerWaalsContact O-N 3.13Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 2.89Å; L642-Q645 PolarHBondContact O-N 3.35Å; L642-K646 WeakPolarHBondContact O-CG 3.37Å; L642-K646 PolarHBondContact O-N 3.12Å |
| 643 | V | 88.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 172.9 | 166.7 | 0 | 0 | 0 | 0 | 110 | P605 L608 M609 I639 F640 Q645 K646 C647 | P605-V643 HydrophobicContact CB-CG1 4.35Å; L608-V643 HydrophobicContact CB-CG2 3.84Å; L608-V643 HydrophobicContact CD1-CG2 3.86Å; M609-V643 HydrophobicContact CG-CG1 4.42Å; M609-V643 HydrophobicContact CG-CG2 4.44Å; M609-V643 HydrophobicContact SD-CG1 4.14Å; M609-V643 HydrophobicContact SD-CG2 4.44Å; I639-V643 WeakPolarHBondContact O-CG2 3.13Å; I639-V643 PolarHBondContact O-N 3.07Å; F640-V643 WeakPolarHBondContact O-CB 3.34Å; F640-V643 PolarHBondContact O-N 3.49Å; V643-Q645 VanDerWaalsContact C-N 3.35Å; V643-Q645 PolarHBondContact O-N 3.14Å; V643-K646 PolarHBondContact O-N 3.1Å; V643-K646 VanDerWaalsContact O-N 3.15Å; V643-C647 PolarHBondContact O-N 3.34Å; V643-C647 PolarHBondContact O-SG 3.42Å |
| 644 | I | 88.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.3 | -50 | 174.8 | -55.2 | -46.9 | 0 | 0 | 0 | 110.9 | F640 K641 K646 C647 E648 C695 K698 F699 I702 | F640-I644 HydrophobicContact CE2-CD1 3.94Å; F640-I644 HydrophobicContact CZ-CD1 3.89Å; F640-I644 HydrophobicContact CZ-CG1 4.42Å; F640-I644 WeakPolarHBondContact O-CG1 3.49Å; F640-I644 PolarHBondContact O-N 2.68Å; K641-I644 PolarHBondContact O-N 3.42Å; I644-K646 PolarHBondContact O-N 2.61Å; I644-C647 PolarHBondContact O-N 3.16Å; I644-E648 HydrophobicContact CG2-CG 4.09Å; I644-E648 WeakPolarHBondContact O-CB 3.42Å; I644-E648 VanDerWaalsContact O-CG 3.31Å; I644-E648 WeakPolarHBondContact O-CG 3.27Å; I644-E648 PolarHBondContact O-N 3.38Å; I644-C695 HydrophobicContact CG1-CB 4.11Å; I644-K698 HydrophobicContact CG2-CB 3.71Å; I644-K698 HydrophobicContact CG2-CD 4.03Å; I644-K698 HydrophobicContact CG2-CG 4.44Å; I644-F699 HydrophobicContact CD1-CB 3.73Å; I644-F699 HydrophobicContact CD1-CD2 3.62Å; I644-F699 HydrophobicContact CD1-CG 4.17Å; I644-I702 HydrophobicContact CG2-CD1 4Å |
| 645 | Q | 86.9 | Confident | 82 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.1 | -17.9 | -177.8 | -71.7 | -178.7 | -55.4 | 0 | 0 | 114.7 | K641 L642 V643 K649 | K641-Q645 WeakPolarHBondContact O-CG 3.36Å; K641-Q645 PolarHBondContact O-N 3.07Å; L642-Q645 PolarHBondContact O-N 3.35Å; V643-Q645 VanDerWaalsContact C-N 3.35Å; V643-Q645 PolarHBondContact O-N 3.14Å; Q645-K649 WeakPolarHBondContact O-CG 3.48Å |
| 646 | K | 84.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -87.5 | -43.6 | 171.8 | -73.2 | 175.1 | 174.8 | -179.4 | 0 | 111.2 | A600 N601 M603 P605 L642 V643 I644 E648 K649 I650 | A600-K646 PolarHBondContact O-NZ 2.79Å; N601-K646 VanDerWaalsContact C-NZ 3.32Å; N601-K646 WeakPolarHBondContact O-CE 3.39Å; N601-K646 PolarHBondContact O-NZ 3.45Å; M603-K646 PolarHBondContact O-NZ 3.28Å; P605-K646 HydrophobicContact CG-CB 3.74Å; P605-K646 HydrophobicContact CG-CD 4.22Å; L642-K646 WeakPolarHBondContact O-CG 3.37Å; L642-K646 PolarHBondContact O-N 3.12Å; V643-K646 PolarHBondContact O-N 3.1Å; V643-K646 VanDerWaalsContact O-N 3.15Å; I644-K646 PolarHBondContact O-N 2.61Å; K646-E648 VanDerWaalsContact C-N 3.32Å; K646-E648 PolarHBondContact O-N 2.96Å; K646-K649 PolarHBondContact O-N 3.19Å; K646-I650 PolarHBondContact O-N 3.16Å |
| 647 | C | 83.7 | Confident | 80 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -29.5 | 176.3 | -61 | 0 | 0 | 0 | 0 | 112.9 | V643 I644 K649 L657 I702 | V643-C647 PolarHBondContact O-N 3.34Å; V643-C647 PolarHBondContact O-SG 3.42Å; I644-C647 PolarHBondContact O-N 3.16Å; C647-K649 PolarHBondContact O-N 2.98Å; C647-L657 HydrophobicContact CB-CD1 4.38Å; C647-I702 HydrophobicContact CB-CD1 4.42Å |
| 648 | E | 80.8 | Confident | 79.2 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.2 | 169.7 | -72.5 | -172.8 | 141.3 | 0 | 0 | 113.8 | I644 K646 K698 I702 | I644-E648 HydrophobicContact CG2-CG 4.09Å; I644-E648 WeakPolarHBondContact O-CB 3.42Å; I644-E648 VanDerWaalsContact O-CG 3.31Å; I644-E648 WeakPolarHBondContact O-CG 3.27Å; I644-E648 PolarHBondContact O-N 3.38Å; K646-E648 VanDerWaalsContact C-N 3.32Å; K646-E648 PolarHBondContact O-N 2.96Å; E648-K698 IonicContact OE1-NZ 2.76Å; E648-K698 PolarHBondContact OE1-NZ 2.93Å; E648-K698 IonicContact OE2-NZ 3.58Å; E648-K698 PolarHBondContact OE2-NZ 2.85Å; E648-I702 HydrophobicContact CG-CD1 3.65Å; E648-I702 HydrophobicContact CG-CG1 4.25Å |
| 649 | K | 78.2 | Confident | 78.2 | Confident | 172 Ų | 172 | 60.4 Ų | 60.4 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -24.3 | -179.7 | -64.3 | -177.6 | -179.6 | -173.8 | 0 | 114.4 | Q645 K646 C647 | Q645-K649 WeakPolarHBondContact O-CG 3.48Å; K646-K649 PolarHBondContact O-N 3.19Å; C647-K649 PolarHBondContact O-N 2.98Å |
| 650 | I | 71.6 | Confident | 77.7 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | trans | -137.1 | 99.6 | -171.8 | -53.2 | 173.8 | 0 | 0 | 0 | 108.5 | K646 E652 F653 | K646-I650 PolarHBondContact O-N 3.16Å; I650-E652 VanDerWaalsContact C-N 3.28Å; I650-E652 HydrophobicContact CG2-CB 4.4Å; I650-E652 PolarHBondContact O-N 2.71Å; I650-F653 HydrophobicContact CB-CD2 3.89Å; I650-F653 HydrophobicContact CB-CE2 4.24Å; I650-F653 HydrophobicContact CD1-CD2 4.34Å; I650-F653 HydrophobicContact CD1-CE2 3.94Å; I650-F653 HydrophobicContact CG2-CD2 3.59Å; I650-F653 HydrophobicContact CG2-CE2 3.75Å | ||
| 651 | N | 65.1 | Low | 77.5 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -62.1 | -31.4 | -174.8 | -73.7 | 14.9 | 0 | 0 | 0 | 113.5 | F653 A654 L706 | N651-F653 VanDerWaalsContact C-N 3.32Å; N651-F653 PolarHBondContact O-N 3.15Å; N651-A654 WeakPolarHBondContact O-CB 3.4Å; N651-A654 PolarHBondContact O-N 3.29Å; N651-L706 HydrophobicContact CB-CD2 4.15Å |
| 652 | E | 67 | Low | 77.2 | Confident | 152 Ų | 152 | 59.5 Ų | 59.5 | 71% | 0.71 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -56 | -43.6 | -174.8 | -62.3 | 178.2 | 166.1 | 0 | 0 | 112.5 | I650 A654 S655 | I650-E652 VanDerWaalsContact C-N 3.28Å; I650-E652 HydrophobicContact CG2-CB 4.4Å; I650-E652 PolarHBondContact O-N 2.71Å; E652-A654 PolarHBondContact O-N 3.33Å; E652-S655 PolarHBondContact O-N 2.89Å; E652-S655 PolarHBondContact O-OG 3.39Å |
| 653 | F | 64.7 | Low | 76.9 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67.5 | -17.6 | 179.5 | -65.7 | -60 | 0 | 0 | 0 | 114.1 | Q604 P605 I650 N651 S655 F656 | Q604-F653 HydrophobicContact CB-CE1 4.04Å; Q604-F653 HydrophobicContact CB-CZ 4.2Å; Q604-F653 HydrophobicContact CG-CE1 4.09Å; Q604-F653 HydrophobicContact CG-CZ 3.93Å; P605-F653 HydrophobicContact CB-CB 4.33Å; P605-F653 HydrophobicContact CG-CB 3.98Å; P605-F653 HydrophobicContact CG-CD1 4.42Å; P605-F653 HydrophobicContact CG-CD2 3.82Å; P605-F653 HydrophobicContact CG-CE2 4.42Å; P605-F653 HydrophobicContact CG-CG 3.83Å; I650-F653 HydrophobicContact CB-CD2 3.89Å; I650-F653 HydrophobicContact CB-CE2 4.24Å; I650-F653 HydrophobicContact CD1-CD2 4.34Å; I650-F653 HydrophobicContact CD1-CE2 3.94Å; I650-F653 HydrophobicContact CG2-CD2 3.59Å; I650-F653 HydrophobicContact CG2-CE2 3.75Å; N651-F653 VanDerWaalsContact C-N 3.32Å; N651-F653 PolarHBondContact O-N 3.15Å; F653-S655 VanDerWaalsContact C-N 3.29Å; F653-S655 PolarHBondContact O-N 3.49Å; F653-F656 PolarHBondContact O-N 2.86Å |
| 654 | A | 62.7 | Low | 76.7 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -81.9 | -10.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N651 E652 F656 L657 I702 L706 | N651-A654 WeakPolarHBondContact O-CB 3.4Å; N651-A654 PolarHBondContact O-N 3.29Å; E652-A654 PolarHBondContact O-N 3.33Å; A654-F656 PolarHBondContact O-N 3.04Å; A654-L657 HydrophobicContact CB-CD1 4.03Å; A654-L657 PolarHBondContact O-N 3.46Å; A654-I702 HydrophobicContact CB-CG2 4.02Å; A654-L706 HydrophobicContact CB-CD1 3.19Å |
| 655 | S | 65.6 | Low | 76.7 | Confident | 99 Ų | 99 | 69.5 Ų | 69.5 | 69% | 0.692 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -64 | -21.7 | 168.2 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | E652 F653 | E652-S655 PolarHBondContact O-N 2.89Å; E652-S655 PolarHBondContact O-OG 3.39Å; F653-S655 VanDerWaalsContact C-N 3.29Å; F653-S655 PolarHBondContact O-N 3.49Å |
| 656 | F | 67.8 | Low | 76.9 | Confident | 137 Ų | 137 | 65.5 Ų | 65.5 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -91.1 | 6.9 | 178.5 | -56.1 | -85.9 | 0 | 0 | 0 | 113.6 | F653 A654 | F653-F656 PolarHBondContact O-N 2.86Å; A654-F656 PolarHBondContact O-N 3.04Å |
| 657 | L | 74.1 | Confident | 77.1 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | trans | -100.3 | 108.2 | -173.9 | -59.5 | -179.2 | 0 | 0 | 0 | 111.9 | C647 A654 F699 I703 | C647-L657 HydrophobicContact CB-CD1 4.38Å; A654-L657 HydrophobicContact CB-CD1 4.03Å; A654-L657 PolarHBondContact O-N 3.46Å; L657-F699 HydrophobicContact CB-CE2 4.2Å; L657-F699 HydrophobicContact CB-CZ 4.03Å; L657-F699 HydrophobicContact CD1-CD2 4.38Å; L657-F699 HydrophobicContact CD1-CE2 3.94Å; L657-F699 HydrophobicContact CD2-CE2 3.97Å; L657-F699 HydrophobicContact CD2-CZ 4.42Å; L657-F699 HydrophobicContact CG-CE2 4.25Å; L657-I703 HydrophobicContact CB-CD1 4.02Å; L657-I703 HydrophobicContact CB-CG1 4.23Å | ||
| 658 | E | 76.8 | Confident | 77.4 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | trans | -83.2 | 137.3 | 173.3 | -54.2 | -174.7 | 166.3 | 0 | 0 | 111.5 | T660 F661 | E658-T660 VanDerWaalsContact C-N 3.27Å; E658-T660 VanDerWaalsContact CB-OG1 3.28Å; E658-T660 WeakPolarHBondContact CB-OG1 3.49Å; E658-T660 PolarHBondContact O-N 2.97Å; E658-T660 PolarHBondContact OE2-OG1 2.76Å; E658-F661 WeakPolarHBondContact O-CB 3.48Å; E658-F661 PolarHBondContact O-N 3.46Å | ||
| 659 | E | 71.6 | Confident | 77.7 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -31.1 | 176.6 | -64.7 | 175.1 | 138.3 | 0 | 0 | 112.2 | F661 L662 I703 R707 Y734 | E659-F661 PolarHBondContact O-N 3.15Å; E659-L662 PolarHBondContact O-N 3.46Å; E659-I703 HydrophobicContact CG-CB 4.45Å; E659-I703 HydrophobicContact CG-CD1 3.83Å; E659-I703 HydrophobicContact CG-CG2 3.8Å; E659-R707 IonicContact OE1-CZ 2.69Å; E659-R707 IonicContact OE1-NH1 3.82Å; E659-R707 PolarHBondContact OE1-NH1 3.43Å; E659-R707 IonicContact OE1-NH2 3.63Å; E659-R707 IonicContact OE2-CZ 3.61Å; E659-R707 IonicContact OE2-NH1 2.68Å; E659-R707 PolarHBondContact OE2-NH1 2.72Å; E659-R707 IonicContact OE2-NH2 3.7Å; E659-R707 PolarHBondContact OE2-NH2 3.45Å; E659-Y734 HydrophobicContact CB-CD2 4.27Å; E659-Y734 HydrophobicContact CB-CE2 4.17Å; E659-Y734 VanDerWaalsContact OE2-CE2 3.26Å; E659-Y734 WeakPolarHBondContact OE2-CE2 3.37Å |
| 660 | T | 81.1 | Confident | 78.3 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.5 | -33.2 | 175 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | E658 L662 A663 E664 | E658-T660 VanDerWaalsContact C-N 3.27Å; E658-T660 VanDerWaalsContact CB-OG1 3.28Å; E658-T660 WeakPolarHBondContact CB-OG1 3.49Å; E658-T660 PolarHBondContact O-N 2.97Å; E658-T660 PolarHBondContact OE2-OG1 2.76Å; T660-L662 PolarHBondContact O-N 3.49Å; T660-L662 VanDerWaalsContact O-N 3.07Å; T660-A663 PolarHBondContact O-N 3.06Å; T660-A663 VanDerWaalsContact O-N 3.08Å; T660-E664 WeakPolarHBondContact O-CB 3.38Å; T660-E664 PolarHBondContact O-N 3.13Å |
| 661 | F | 86.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -51.5 | -38.7 | -177.7 | 170.6 | -98.1 | 0 | 0 | 0 | 113.2 | M609 I613 F640 E658 E659 Y665 L666 F699 | M609-F661 HydrophobicContact CE-CD1 3.7Å; M609-F661 HydrophobicContact CE-CD2 3.7Å; M609-F661 HydrophobicContact CE-CE1 3.63Å; M609-F661 HydrophobicContact CE-CE2 3.62Å; M609-F661 HydrophobicContact CE-CG 3.74Å; M609-F661 HydrophobicContact CE-CZ 3.59Å; M609-F661 HydrophobicContact SD-CE1 4.28Å; M609-F661 HydrophobicContact SD-CZ 4.13Å; I613-F661 HydrophobicContact CD1-CZ 4.18Å; I613-F661 HydrophobicContact CG2-CZ 4.29Å; F640-F661 HydrophobicContact CD2-CE1 4.45Å; F640-F661 HydrophobicContact CE2-CE1 4.17Å; E658-F661 WeakPolarHBondContact O-CB 3.48Å; E658-F661 PolarHBondContact O-N 3.46Å; E659-F661 PolarHBondContact O-N 3.15Å; F661-Y665 HydrophobicContact CD2-CD1 4.02Å; F661-Y665 AromaticContact CE2-CD1 3.61Å; F661-Y665 HydrophobicContact CE2-CD1 3.61Å; F661-Y665 HydrophobicContact CE2-CE1 4.14Å; F661-Y665 HydrophobicContact CZ-CD1 4.41Å; F661-Y665 WeakPolarHBondContact O-CB 3.15Å; F661-Y665 PolarHBondContact O-N 2.84Å; F661-L666 HydrophobicContact CE1-CB 4.22Å; F661-L666 HydrophobicContact CE1-CD2 4.1Å; F661-L666 HydrophobicContact CZ-CB 4.36Å; F661-L666 WeakPolarHBondContact O-CB 3.36Å; F661-L666 PolarHBondContact O-N 2.89Å; F661-F699 HydrophobicContact CD1-CZ 4.3Å |
| 662 | L | 85.8 | Confident | 80.3 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -74.1 | -49.3 | 178.1 | -61.6 | -176.6 | 0 | 0 | 0 | 112.1 | F640 E659 T660 L666 F667 F699 L738 | F640-L662 HydrophobicContact CE1-CD2 4.36Å; F640-L662 HydrophobicContact CE2-CD2 4.16Å; F640-L662 HydrophobicContact CZ-CD2 3.65Å; E659-L662 PolarHBondContact O-N 3.46Å; T660-L662 PolarHBondContact O-N 3.49Å; T660-L662 VanDerWaalsContact O-N 3.07Å; L662-L666 HydrophobicContact CD2-CD2 3.79Å; L662-F667 HydrophobicContact CB-CD2 4.34Å; L662-F667 HydrophobicContact CD2-CE2 4.47Å; L662-F667 WeakPolarHBondContact O-CD2 3.47Å; L662-F667 PolarHBondContact O-N 2.83Å; L662-F699 HydrophobicContact CD1-CB 4.19Å; L662-F699 HydrophobicContact CD1-CD1 3.43Å; L662-F699 VanDerWaalsContact CD1-CD1 3.43Å; L662-F699 HydrophobicContact CD1-CE1 4.01Å; L662-F699 HydrophobicContact CD1-CG 4.05Å; L662-F699 HydrophobicContact CD2-CD1 4.41Å; L662-F699 HydrophobicContact CG-CD1 3.83Å; L662-F699 HydrophobicContact CG-CE1 3.89Å; L662-L738 HydrophobicContact CB-CD1 4.21Å; L662-L738 HydrophobicContact CD1-CD1 4.3Å |
| 663 | A | 82.7 | Confident | 81.4 | Confident | 15 Ų | 15 | 48 Ų | 48 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -77.8 | -34.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T660 P668 I737 | T660-A663 PolarHBondContact O-N 3.06Å; T660-A663 VanDerWaalsContact O-N 3.08Å; A663-P668 VanDerWaalsContact O-CD 3.24Å; A663-P668 WeakPolarHBondContact O-CD 3.35Å; A663-P668 WeakPolarHBondContact O-CG 3.32Å; A663-I737 HydrophobicContact CB-CG2 4.16Å |
| 664 | E | 84.8 | Confident | 82.5 | Confident | 136 Ų | 136 | 47 Ų | 47 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -104.4 | -31.6 | -171.2 | -59.8 | -179.1 | -176.9 | 0 | 0 | 112.9 | T660 P668 | T660-E664 WeakPolarHBondContact O-CB 3.38Å; T660-E664 PolarHBondContact O-N 3.13Å; E664-P668 WeakPolarHBondContact O-CG 3.23Å |
| 665 | Y | 89.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -106.1 | -60.7 | -179.3 | -175.7 | -99.2 | 0 | 0 | 0 | 113.1 | I613 M617 F661 N669 | I613-Y665 HydrophobicContact CG2-CE1 4.42Å; M617-Y665 HydrophobicContact CG-CE1 4.15Å; F661-Y665 HydrophobicContact CD2-CD1 4.02Å; F661-Y665 AromaticContact CE2-CD1 3.61Å; F661-Y665 HydrophobicContact CE2-CD1 3.61Å; F661-Y665 HydrophobicContact CE2-CE1 4.14Å; F661-Y665 HydrophobicContact CZ-CD1 4.41Å; F661-Y665 WeakPolarHBondContact O-CB 3.15Å; F661-Y665 PolarHBondContact O-N 2.84Å; Y665-N669 WeakPolarHBondContact O-CB 3.46Å; Y665-N669 PolarHBondContact O-N 3.45Å; Y665-N669 PolarHBondContact O-ND2 3.34Å |
| 666 | L | 90.4 | Very high | 85 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -69.1 | -61.5 | -168.1 | -175.8 | 63.3 | 0 | 0 | 0 | 112.8 | M617 L636 F661 L662 N669 L670 | M617-L666 HydrophobicContact SD-CD1 4.17Å; L636-L666 HydrophobicContact CD1-CD1 4.04Å; L636-L666 HydrophobicContact CD2-CD1 4.09Å; F661-L666 HydrophobicContact CE1-CB 4.22Å; F661-L666 HydrophobicContact CE1-CD2 4.1Å; F661-L666 HydrophobicContact CZ-CB 4.36Å; F661-L666 WeakPolarHBondContact O-CB 3.36Å; F661-L666 PolarHBondContact O-N 2.89Å; L662-L666 HydrophobicContact CD2-CD2 3.79Å; L666-N669 PolarHBondContact O-N 3.35Å; L666-L670 HydrophobicContact CD1-CD1 3.83Å; L666-L670 HydrophobicContact CD1-CG 4.3Å; L666-L670 HydrophobicContact CG-CD1 3.96Å; L666-L670 WeakPolarHBondContact O-CB 3.39Å; L666-L670 VanDerWaalsContact O-CG 3.28Å; L666-L670 WeakPolarHBondContact O-CG 3.48Å; L666-L670 PolarHBondContact O-N 3.35Å |
| 667 | F | 90.2 | Very high | 86 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.2 | -29.7 | -174.8 | -76.6 | -77.2 | 0 | 0 | 0 | 114.9 | L662 A671 L689 L692 S696 L738 H741 I742 R745 | L662-F667 HydrophobicContact CB-CD2 4.34Å; L662-F667 HydrophobicContact CD2-CE2 4.47Å; L662-F667 WeakPolarHBondContact O-CD2 3.47Å; L662-F667 PolarHBondContact O-N 2.83Å; F667-A671 PolarHBondContact O-N 3.38Å; F667-L689 HydrophobicContact CE1-CD1 4.46Å; F667-L692 HydrophobicContact CE1-CB 4.49Å; F667-L692 HydrophobicContact CZ-CB 4.22Å; F667-S696 WeakPolarHBondContact CE2-OG 3.48Å; F667-S696 WeakPolarHBondContact CZ-OG 3.35Å; F667-L738 HydrophobicContact CD2-CD1 3.66Å; F667-L738 HydrophobicContact CE2-CD1 3.46Å; F667-L738 VanDerWaalsContact CE2-CD1 3.46Å; F667-L738 HydrophobicContact CZ-CD1 4.28Å; F667-H741 HydrophobicContact CB-CB 4.1Å; F667-I742 HydrophobicContact CD1-CG1 4.06Å; F667-I742 HydrophobicContact CE1-CD1 3.87Å; F667-I742 HydrophobicContact CE1-CG1 3.61Å; F667-I742 HydrophobicContact CE2-CD1 4.39Å; F667-I742 HydrophobicContact CZ-CD1 3.72Å; F667-I742 HydrophobicContact CZ-CG1 3.98Å; F667-R745 PolarHBondContact O-NH2 3.35Å |
| 668 | P | 88.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 169.8 | -28.6 | 39.5 | 0 | 0 | 0 | 113 | A663 E664 L670 A671 | A663-P668 VanDerWaalsContact O-CD 3.24Å; A663-P668 WeakPolarHBondContact O-CD 3.35Å; A663-P668 WeakPolarHBondContact O-CG 3.32Å; E664-P668 WeakPolarHBondContact O-CG 3.23Å; P668-L670 VanDerWaalsContact C-N 3.28Å; P668-L670 PolarHBondContact O-N 3.19Å; P668-A671 WeakPolarHBondContact O-CB 3.37Å; P668-A671 PolarHBondContact O-N 2.94Å |
| 669 | N | 87.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 40.2 Ų | 40.2 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.6 | -25.1 | -179.6 | -71.1 | -66.3 | 0 | 0 | 0 | 112.9 | M617 Y665 L666 A671 P672 | M617-N669 HydrophobicContact CE-CB 3.36Å; Y665-N669 WeakPolarHBondContact O-CB 3.46Å; Y665-N669 PolarHBondContact O-N 3.45Å; Y665-N669 PolarHBondContact O-ND2 3.34Å; L666-N669 PolarHBondContact O-N 3.35Å; N669-A671 VanDerWaalsContact C-N 3.31Å; N669-P672 WeakPolarHBondContact O-CD 3.4Å |
| 670 | L | 90.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.8 | 169.6 | -67.4 | 176.1 | 0 | 0 | 0 | 113.9 | M617 L666 P668 L673 L692 | M617-L670 HydrophobicContact CE-CD2 3.97Å; M617-L670 HydrophobicContact CE-CG 4.22Å; M617-L670 HydrophobicContact SD-CD2 3.95Å; M617-L670 HydrophobicContact SD-CG 4.32Å; L666-L670 HydrophobicContact CD1-CD1 3.83Å; L666-L670 HydrophobicContact CD1-CG 4.3Å; L666-L670 HydrophobicContact CG-CD1 3.96Å; L666-L670 WeakPolarHBondContact O-CB 3.39Å; L666-L670 VanDerWaalsContact O-CG 3.28Å; L666-L670 WeakPolarHBondContact O-CG 3.48Å; L666-L670 PolarHBondContact O-N 3.35Å; P668-L670 VanDerWaalsContact C-N 3.28Å; P668-L670 PolarHBondContact O-N 3.19Å; L670-L673 HydrophobicContact CB-CD1 4.47Å; L670-L673 HydrophobicContact CD2-CD1 3.56Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 2.67Å; L670-L692 HydrophobicContact CD1-CD1 4.03Å |
| 671 | A | 88.8 | Confident | 88.7 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -63 | -44.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F667 P668 N669 L673 S674 | F667-A671 PolarHBondContact O-N 3.38Å; P668-A671 WeakPolarHBondContact O-CB 3.37Å; P668-A671 PolarHBondContact O-N 2.94Å; N669-A671 VanDerWaalsContact C-N 3.31Å; A671-L673 PolarHBondContact O-N 3.19Å; A671-L673 VanDerWaalsContact O-N 3.15Å; A671-S674 PolarHBondContact O-N 3.46Å; A671-S674 VanDerWaalsContact O-N 3.16Å; A671-S674 PolarHBondContact O-OG 3.2Å |
| 672 | P | 89.8 | Confident | 89.1 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 54% | 0.539 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -59.4 | -28.6 | -179.5 | -24.1 | 35.7 | 0 | 0 | 0 | 113.3 | N669 S674 M675 D676 | N669-P672 WeakPolarHBondContact O-CD 3.4Å; P672-S674 PolarHBondContact O-N 3.15Å; P672-M675 CarbonylContact O-C 3.6Å; P672-M675 PolarHBondContact O-N 2.75Å; P672-D676 PolarHBondContact O-N 3.45Å |
| 673 | L | 90 | Very high | 89.4 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -66 | -19.3 | -177.9 | -56 | 171.2 | 0 | 0 | 0 | 113.2 | T620 I633 L670 A671 M675 V681 L685 | T620-L673 HydrophobicContact CG2-CD1 4.07Å; T620-L673 WeakPolarHBondContact O-CD2 3.33Å; I633-L673 HydrophobicContact CD1-CD1 3.89Å; I633-L673 HydrophobicContact CG1-CD1 4.01Å; L670-L673 HydrophobicContact CB-CD1 4.47Å; L670-L673 HydrophobicContact CD2-CD1 3.56Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 2.67Å; A671-L673 PolarHBondContact O-N 3.19Å; A671-L673 VanDerWaalsContact O-N 3.15Å; L673-M675 PolarHBondContact O-N 2.73Å; L673-V681 HydrophobicContact CD2-CG1 4.23Å; L673-L685 HydrophobicContact CB-CD2 3.93Å |
| 674 | S | 89.3 | Confident | 89.8 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -69.1 | -17.9 | 171.7 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | A671 P672 R682 | A671-S674 PolarHBondContact O-N 3.46Å; A671-S674 VanDerWaalsContact O-N 3.16Å; A671-S674 PolarHBondContact O-OG 3.2Å; P672-S674 PolarHBondContact O-N 3.15Å; S674-R682 WeakPolarHBondContact O-CD 3.41Å |
| 675 | M | 89.2 | Confident | 90.1 | Very high | 115 Ų | 115 | 36.3 Ų | 36.3 | 57% | 0.567 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -121.5 | 15.1 | 178.7 | -60.3 | -60.1 | -65.5 | 0 | 0 | 112.6 | P672 L673 A748 | P672-M675 CarbonylContact O-C 3.6Å; P672-M675 PolarHBondContact O-N 2.75Å; L673-M675 PolarHBondContact O-N 2.73Å; M675-A748 HydrophobicContact SD-CB 4.31Å |
| 676 | D | 91.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -52.5 | 137.9 | -177.7 | -171.7 | -70.4 | 0 | 0 | 0 | 112.7 | R629 P672 K678 V681 R682 | R629-D676 IonicContact CZ-OD1 2.67Å; R629-D676 IonicContact CZ-OD2 3.98Å; R629-D676 IonicContact NE-OD1 3.43Å; R629-D676 IonicContact NE-OD2 3.98Å; R629-D676 PolarHBondContact NE-OD2 3.36Å; R629-D676 VanDerWaalsContact NH2-CG 3.26Å; R629-D676 IonicContact NH2-OD1 3.83Å; R629-D676 PolarHBondContact NH2-OD1 3.26Å; R629-D676 IonicContact NH2-OD2 3.39Å; R629-D676 PolarHBondContact NH2-OD2 3.33Å; P672-D676 PolarHBondContact O-N 3.45Å; D676-K678 PolarHBondContact O-N 2.82Å; D676-K678 VanDerWaalsContact O-N 3.14Å; D676-K678 WeakPolarHBondContact OD1-CB 3.43Å; D676-K678 PolarHBondContact OD1-N 2.72Å; D676-V681 HydrophobicContact CB-CB 4.07Å; D676-V681 HydrophobicContact CB-CG1 3.99Å; D676-R682 HydrophobicContact CB-CG 3.84Å; D676-R682 WeakPolarHBondContact O-CD 3.47Å; D676-R682 WeakPolarHBondContact O-CG 3.5Å; D676-R682 PolarHBondContact O-NH1 3.1Å | ||
| 677 | P | 88.7 | Confident | 90.2 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -59.5 | -25.7 | -179.1 | 23.4 | -34.4 | 0 | 0 | 0 | 115 | L622 Q1419 I1422 | L622-P677 VanDerWaalsContact CD2-CD 3.42Å; L622-P677 HydrophobicContact CD2-CG 3.69Å; P677-Q1419 VanDerWaalsContact CB-O 3.23Å; P677-Q1419 WeakPolarHBondContact CB-O 3.17Å; P677-Q1419 VanDerWaalsContact CG-O 3.22Å; P677-Q1419 WeakPolarHBondContact CG-O 3.49Å; P677-I1422 HydrophobicContact CB-CD1 4.17Å; P677-I1422 HydrophobicContact CB-CG1 4.23Å |
| 678 | K | 90.1 | Very high | 90.3 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -93.3 | 122.6 | -178.8 | -65.6 | -69.4 | -159.7 | 174.3 | 0 | 111.1 | D676 E680 V681 R682 | D676-K678 PolarHBondContact O-N 2.82Å; D676-K678 VanDerWaalsContact O-N 3.14Å; D676-K678 WeakPolarHBondContact OD1-CB 3.43Å; D676-K678 PolarHBondContact OD1-N 2.72Å; K678-E680 HydrophobicContact CB-CG 4.01Å; K678-E680 WeakPolarHBondContact CB-OE1 3.37Å; K678-E680 WeakPolarHBondContact CD-OE1 3.36Å; K678-E680 PolarHBondContact O-N 2.94Å; K678-V681 HydrophobicContact CB-CB 4.47Å; K678-V681 HydrophobicContact CB-CG2 3.89Å; K678-V681 PolarHBondContact O-N 2.82Å; K678-V681 VanDerWaalsContact O-N 3.17Å; K678-R682 PolarHBondContact O-N 2.85Å |
| 679 | P | 89 | Confident | 90.4 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -21.9 | -179.2 | 28.2 | -34.9 | 0 | 0 | 0 | 113.1 | L683 H754 | P679-L683 WeakPolarHBondContact O-CB 3.48Å; P679-L683 PolarHBondContact O-N 2.7Å; P679-H754 HydrophobicContact CB-CB 4.3Å |
| 680 | E | 89.5 | Confident | 90.5 | Very high | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 173.9 | 70.9 | -152.1 | 139.6 | 0 | 0 | 112.7 | G626 S630 K678 T684 | G626-E680 WeakPolarHBondContact CA-OE1 3.47Å; S630-E680 PolarHBondContact OG-O 2.81Å; K678-E680 HydrophobicContact CB-CG 4.01Å; K678-E680 WeakPolarHBondContact CB-OE1 3.37Å; K678-E680 WeakPolarHBondContact CD-OE1 3.36Å; K678-E680 PolarHBondContact O-N 2.94Å; E680-T684 WeakPolarHBondContact O-CB 3.15Å; E680-T684 PolarHBondContact O-N 3.42Å; E680-T684 PolarHBondContact O-OG1 3.38Å |
| 681 | V | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -45.3 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | G626 R629 S630 I633 L673 D676 K678 L683 T684 L685 | G626-V681 WeakPolarHBondContact O-CG2 3.41Å; R629-V681 HydrophobicContact CB-CG1 4.14Å; R629-V681 HydrophobicContact CB-CG2 3.77Å; S630-V681 WeakPolarHBondContact OG-CA 3.39Å; I633-V681 HydrophobicContact CD1-CG1 3.63Å; L673-V681 HydrophobicContact CD2-CG1 4.23Å; D676-V681 HydrophobicContact CB-CB 4.07Å; D676-V681 HydrophobicContact CB-CG1 3.99Å; K678-V681 HydrophobicContact CB-CB 4.47Å; K678-V681 HydrophobicContact CB-CG2 3.89Å; K678-V681 PolarHBondContact O-N 2.82Å; K678-V681 VanDerWaalsContact O-N 3.17Å; V681-L683 VanDerWaalsContact C-N 3.34Å; V681-L683 PolarHBondContact O-N 3.28Å; V681-T684 PolarHBondContact O-N 3.44Å; V681-T684 VanDerWaalsContact O-N 3.15Å; V681-L685 PolarHBondContact O-N 3.42Å |
| 682 | R | 93.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.2 | -53.9 | -160.4 | -53.7 | -104 | 7.4 | 111.8 | S674 D676 K678 L685 A686 L749 D752 V757 | S674-R682 WeakPolarHBondContact O-CD 3.41Å; D676-R682 HydrophobicContact CB-CG 3.84Å; D676-R682 WeakPolarHBondContact O-CD 3.47Å; D676-R682 WeakPolarHBondContact O-CG 3.5Å; D676-R682 PolarHBondContact O-NH1 3.1Å; K678-R682 PolarHBondContact O-N 2.85Å; R682-L685 PolarHBondContact O-N 3.01Å; R682-A686 VanDerWaalsContact O-CB 3.28Å; R682-A686 WeakPolarHBondContact O-CB 3.49Å; R682-A686 PolarHBondContact O-N 3.45Å; R682-L749 HydrophobicContact CB-CD2 4.02Å; R682-L749 WeakPolarHBondContact O-CD2 3.45Å; R682-D752 IonicContact CZ-OD1 3.79Å; R682-D752 IonicContact CZ-OD2 3.86Å; R682-D752 IonicContact NE-OD1 2.73Å; R682-D752 IonicContact NE-OD2 3.91Å; R682-D752 PolarHBondContact NE-OD2 3.18Å; R682-D752 IonicContact NH2-OD1 3.61Å; R682-D752 PolarHBondContact NH2-OD1 2.69Å; R682-D752 IonicContact NH2-OD2 3.93Å; R682-D752 PolarHBondContact NH2-OD2 3.46Å; R682-V757 HydrophobicContact CB-CG1 4.03Å; R682-V757 HydrophobicContact CB-CG2 4.01Å |
| 683 | L | 91.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 172.2 | 172.7 | 59.3 | 0 | 0 | 0 | 112.4 | P679 V681 A686 R687 H756 V757 | P679-L683 WeakPolarHBondContact O-CB 3.48Å; P679-L683 PolarHBondContact O-N 2.7Å; V681-L683 VanDerWaalsContact C-N 3.34Å; V681-L683 PolarHBondContact O-N 3.28Å; L683-A686 WeakPolarHBondContact O-CB 3.24Å; L683-A686 PolarHBondContact O-N 2.86Å; L683-R687 WeakPolarHBondContact O-CG 3.2Å; L683-R687 PolarHBondContact O-N 3.23Å; L683-H756 WeakPolarHBondContact CD1-O 3.14Å; L683-V757 HydrophobicContact CB-CG2 4.18Å |
| 684 | T | 91.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.6 | -43.4 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | S630 I633 E634 E680 V681 A686 R687 C688 | S630-T684 WeakPolarHBondContact CB-OG1 3.48Å; S630-T684 WeakPolarHBondContact O-CG2 3.48Å; S630-T684 PolarHBondContact OG-OG1 2.92Å; I633-T684 HydrophobicContact CB-CG2 4.27Å; I633-T684 HydrophobicContact CG2-CG2 4.3Å; E634-T684 HydrophobicContact CG-CG2 3.51Å; E680-T684 WeakPolarHBondContact O-CB 3.15Å; E680-T684 PolarHBondContact O-N 3.42Å; E680-T684 PolarHBondContact O-OG1 3.38Å; V681-T684 PolarHBondContact O-N 3.44Å; V681-T684 VanDerWaalsContact O-N 3.15Å; T684-A686 VanDerWaalsContact C-N 3.33Å; T684-A686 PolarHBondContact O-N 3.4Å; T684-R687 WeakPolarHBondContact O-CB 3.29Å; T684-R687 PolarHBondContact O-N 2.83Å; T684-R687 VanDerWaalsContact O-N 3.09Å; T684-C688 WeakPolarHBondContact O-CB 3.45Å; T684-C688 PolarHBondContact O-N 3.06Å; T684-C688 PolarHBondContact O-SG 3.4Å |
| 685 | L | 92 | Very high | 90.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 170.6 | -173 | 67.6 | 0 | 0 | 0 | 111.7 | I633 L673 V681 R682 R687 C688 L689 L749 | I633-L685 HydrophobicContact CG2-CD1 4.47Å; L673-L685 HydrophobicContact CB-CD2 3.93Å; V681-L685 PolarHBondContact O-N 3.42Å; R682-L685 PolarHBondContact O-N 3.01Å; L685-R687 VanDerWaalsContact C-N 3.27Å; L685-R687 PolarHBondContact O-N 2.82Å; L685-C688 PolarHBondContact O-N 3.4Å; L685-C688 VanDerWaalsContact O-N 3.16Å; L685-L689 VanDerWaalsContact O-CB 3.29Å; L685-L689 WeakPolarHBondContact O-CB 3.27Å; L685-L689 PolarHBondContact O-N 3.12Å; L685-L749 HydrophobicContact CB-CD1 4.48Å; L685-L749 HydrophobicContact CD2-CD1 4.04Å; L685-L749 HydrophobicContact CG-CD1 4.04Å |
| 686 | A | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -33.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R682 L683 T684 L749 V757 L761 | R682-A686 VanDerWaalsContact O-CB 3.28Å; R682-A686 WeakPolarHBondContact O-CB 3.49Å; R682-A686 PolarHBondContact O-N 3.45Å; L683-A686 WeakPolarHBondContact O-CB 3.24Å; L683-A686 PolarHBondContact O-N 2.86Å; T684-A686 VanDerWaalsContact C-N 3.33Å; T684-A686 PolarHBondContact O-N 3.4Å; A686-L749 HydrophobicContact CB-CD1 4.31Å; A686-V757 HydrophobicContact CB-CG1 4.08Å; A686-L761 HydrophobicContact CB-CD1 4.43Å; A686-L761 HydrophobicContact CB-CG 3.91Å; A686-L761 WeakPolarHBondContact O-CD2 3.35Å |
| 687 | R | 90.4 | Very high | 90.7 | Very high | 111 Ų | 111 | 28.6 Ų | 28.6 | 42% | 0.419 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -77.3 | -36 | 173.6 | -75.7 | 162.7 | 47 | 160.1 | -9.9 | 113 | E634 L683 T684 L685 | E634-R687 IonicContact OE1-CZ 3.16Å; E634-R687 IonicContact OE1-NE 3.48Å; E634-R687 IonicContact OE1-NH2 2.77Å; E634-R687 PolarHBondContact OE1-NH2 3.35Å; L683-R687 WeakPolarHBondContact O-CG 3.2Å; L683-R687 PolarHBondContact O-N 3.23Å; T684-R687 WeakPolarHBondContact O-CB 3.29Å; T684-R687 PolarHBondContact O-N 2.83Å; T684-R687 VanDerWaalsContact O-N 3.09Å; L685-R687 VanDerWaalsContact C-N 3.27Å; L685-R687 PolarHBondContact O-N 2.82Å |
| 688 | C | 90.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83.3 | -32.4 | -176.6 | -72.7 | 0 | 0 | 0 | 0 | 114 | I633 T637 T684 L685 I691 L692 | I633-C688 HydrophobicContact CG2-CB 3.98Å; T637-C688 HydrophobicContact CG2-CB 4.15Å; T637-C688 WeakPolarHBondContact OG1-CB 3.5Å; T637-C688 PolarHBondContact OG1-SG 2.92Å; T684-C688 WeakPolarHBondContact O-CB 3.45Å; T684-C688 PolarHBondContact O-N 3.06Å; T684-C688 PolarHBondContact O-SG 3.4Å; L685-C688 PolarHBondContact O-N 3.4Å; L685-C688 VanDerWaalsContact O-N 3.16Å; C688-I691 WeakPolarHBondContact O-CA 3.21Å; C688-I691 WeakPolarHBondContact O-CB 3.44Å; C688-I691 PolarHBondContact O-N 3.14Å; C688-L692 HydrophobicContact CB-CD1 4.49Å; C688-L692 PolarHBondContact O-N 3.5Å |
| 689 | L | 91.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.2 | -41.4 | -174.7 | -174.1 | 65.5 | 0 | 0 | 0 | 114.2 | F667 L685 I691 L692 A693 I742 R745 L746 L749 | F667-L689 HydrophobicContact CE1-CD1 4.46Å; L685-L689 VanDerWaalsContact O-CB 3.29Å; L685-L689 WeakPolarHBondContact O-CB 3.27Å; L685-L689 PolarHBondContact O-N 3.12Å; L689-I691 VanDerWaalsContact C-N 3.3Å; L689-I691 PolarHBondContact O-N 2.82Å; L689-L692 PolarHBondContact O-N 2.87Å; L689-A693 WeakPolarHBondContact O-CB 3.25Å; L689-A693 PolarHBondContact O-N 3.45Å; L689-I742 HydrophobicContact CD1-CG1 4.41Å; L689-I742 HydrophobicContact CD1-CG2 4.17Å; L689-I742 HydrophobicContact CG-CG2 4.38Å; L689-R745 HydrophobicContact CD1-CB 4.45Å; L689-R745 HydrophobicContact CD2-CB 4.17Å; L689-L746 HydrophobicContact CD2-CB 4.18Å; L689-L749 HydrophobicContact CD2-CD1 4.13Å |
| 690 | P | 90.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -31.2 | 174.4 | -21.8 | 34.1 | 0 | 0 | 0 | 114 | T694 L761 C769 L770 | P690-T694 PolarHBondContact O-N 2.81Å; P690-T694 PolarHBondContact O-OG1 2.87Å; P690-L761 HydrophobicContact CG-CD2 4.4Å; P690-C769 HydrophobicContact CB-CB 4.11Å; P690-L770 HydrophobicContact CB-CD2 4.43Å; P690-L770 HydrophobicContact CB-CG 4.11Å; P690-L770 HydrophobicContact CG-CD1 4.1Å; P690-L770 HydrophobicContact CG-CG 4.13Å |
| 691 | I | 91.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 27.2 Ų | 27.2 | 40% | 0.395 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -73.9 | -47.3 | 177.1 | -54.6 | 173.8 | 0 | 0 | 0 | 108.9 | T637 C688 L689 A693 T694 C695 | T637-I691 HydrophobicContact CG2-CB 3.85Å; T637-I691 HydrophobicContact CG2-CD1 4.39Å; T637-I691 HydrophobicContact CG2-CG2 3.71Å; C688-I691 WeakPolarHBondContact O-CA 3.21Å; C688-I691 WeakPolarHBondContact O-CB 3.44Å; C688-I691 PolarHBondContact O-N 3.14Å; L689-I691 VanDerWaalsContact C-N 3.3Å; L689-I691 PolarHBondContact O-N 2.82Å; I691-A693 VanDerWaalsContact C-N 3.34Å; I691-A693 PolarHBondContact O-N 3.47Å; I691-T694 PolarHBondContact O-N 3.36Å; I691-T694 VanDerWaalsContact O-N 3.14Å; I691-C695 WeakPolarHBondContact O-CB 3.44Å; I691-C695 PolarHBondContact O-N 3.42Å; I691-C695 PolarHBondContact O-SG 2.92Å; I691-C695 VanDerWaalsContact O-SG 3.4Å |
| 692 | L | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 175.8 | -67.5 | 173.9 | 0 | 0 | 0 | 111.9 | L636 T637 F640 F667 L670 C688 L689 T694 C695 S696 | L636-L692 HydrophobicContact CD2-CD2 4.14Å; T637-L692 HydrophobicContact CG2-CD2 4.05Å; T637-L692 HydrophobicContact CG2-CG 4.16Å; F640-L692 HydrophobicContact CD1-CD2 4.2Å; F667-L692 HydrophobicContact CE1-CB 4.49Å; F667-L692 HydrophobicContact CZ-CB 4.22Å; L670-L692 HydrophobicContact CD1-CD1 4.03Å; C688-L692 HydrophobicContact CB-CD1 4.49Å; C688-L692 PolarHBondContact O-N 3.5Å; L689-L692 PolarHBondContact O-N 2.87Å; L692-T694 PolarHBondContact O-N 3.1Å; L692-C695 PolarHBondContact O-N 3.39Å; L692-S696 VanDerWaalsContact O-CB 3.29Å; L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 2.87Å; L692-S696 PolarHBondContact O-OG 2.81Å |
| 693 | A | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L689 I691 S696 L697 I742 L770 F773 | L689-A693 WeakPolarHBondContact O-CB 3.25Å; L689-A693 PolarHBondContact O-N 3.45Å; I691-A693 VanDerWaalsContact C-N 3.34Å; I691-A693 PolarHBondContact O-N 3.47Å; A693-S696 PolarHBondContact O-N 2.84Å; A693-L697 PolarHBondContact O-N 3.48Å; A693-L697 VanDerWaalsContact O-N 3.1Å; A693-I742 HydrophobicContact CB-CD1 3.89Å; A693-I742 HydrophobicContact CB-CG2 4.29Å; A693-L770 HydrophobicContact CB-CD2 4.26Å; A693-F773 HydrophobicContact CB-CB 4.38Å; A693-F773 HydrophobicContact CB-CD1 4.21Å; A693-F773 HydrophobicContact CB-CD2 4.19Å; A693-F773 HydrophobicContact CB-CG 3.99Å |
| 694 | T | 90.7 | Very high | 88.6 | Confident | 51 Ų | 51 | 27.6 Ų | 27.6 | 31% | 0.313 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67 | -42.9 | 178.3 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | P690 I691 L692 K698 C769 | P690-T694 PolarHBondContact O-N 2.81Å; P690-T694 PolarHBondContact O-OG1 2.87Å; I691-T694 PolarHBondContact O-N 3.36Å; I691-T694 VanDerWaalsContact O-N 3.14Å; L692-T694 PolarHBondContact O-N 3.1Å; T694-K698 PolarHBondContact O-N 3.1Å; T694-K698 VanDerWaalsContact O-N 3.12Å; T694-C769 WeakPolarHBondContact OG1-CB 3.2Å |
| 695 | C | 90.4 | Very high | 88 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.054 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 176.7 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | F640 I644 I691 L692 K698 F699 | F640-C695 HydrophobicContact CD1-CB 3.72Å; F640-C695 HydrophobicContact CE1-CB 3.51Å; I644-C695 HydrophobicContact CG1-CB 4.11Å; I691-C695 WeakPolarHBondContact O-CB 3.44Å; I691-C695 PolarHBondContact O-N 3.42Å; I691-C695 PolarHBondContact O-SG 2.92Å; I691-C695 VanDerWaalsContact O-SG 3.4Å; L692-C695 PolarHBondContact O-N 3.39Å; C695-K698 PolarHBondContact O-N 3Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 PolarHBondContact O-N 2.93Å |
| 696 | S | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | F667 L692 A693 F699 L700 | F667-S696 WeakPolarHBondContact CE2-OG 3.48Å; F667-S696 WeakPolarHBondContact CZ-OG 3.35Å; L692-S696 VanDerWaalsContact O-CB 3.29Å; L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 2.87Å; L692-S696 PolarHBondContact O-OG 2.81Å; A693-S696 PolarHBondContact O-N 2.84Å; S696-F699 WeakPolarHBondContact O-CB 3.38Å; S696-F699 PolarHBondContact O-N 2.91Å; S696-L700 PolarHBondContact O-N 2.96Å |
| 697 | L | 88.6 | Confident | 86 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 172.5 | -173.9 | 63 | 0 | 0 | 0 | 111.6 | A693 N701 L735 F773 | A693-L697 PolarHBondContact O-N 3.48Å; A693-L697 VanDerWaalsContact O-N 3.1Å; L697-N701 WeakPolarHBondContact O-CB 3.3Å; L697-N701 PolarHBondContact O-N 2.74Å; L697-N701 PolarHBondContact O-ND2 3Å; L697-N701 PolarHBondContact O-OD1 2.84Å; L697-L735 HydrophobicContact CD1-CD1 4.06Å; L697-F773 HydrophobicContact CB-CD2 4.16Å; L697-F773 HydrophobicContact CB-CE2 4.46Å |
| 698 | K | 88.3 | Confident | 84.9 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 171.6 | -81.8 | 171.5 | 157.9 | -83.9 | 0 | 112.3 | I644 E648 T694 C695 N701 I702 | I644-K698 HydrophobicContact CG2-CB 3.71Å; I644-K698 HydrophobicContact CG2-CD 4.03Å; I644-K698 HydrophobicContact CG2-CG 4.44Å; E648-K698 IonicContact OE1-NZ 2.76Å; E648-K698 PolarHBondContact OE1-NZ 2.93Å; E648-K698 IonicContact OE2-NZ 3.58Å; E648-K698 PolarHBondContact OE2-NZ 2.85Å; T694-K698 PolarHBondContact O-N 3.1Å; T694-K698 VanDerWaalsContact O-N 3.12Å; C695-K698 PolarHBondContact O-N 3Å; K698-N701 PolarHBondContact O-N 3.12Å; K698-I702 WeakPolarHBondContact O-CD1 3.21Å; K698-I702 VanDerWaalsContact O-CG1 3.27Å; K698-I702 WeakPolarHBondContact O-CG1 3.31Å; K698-I702 PolarHBondContact O-N 2.96Å |
| 699 | F | 87.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -51.2 | 178.1 | -174.2 | -95.2 | 0 | 0 | 0 | 111.7 | F640 I644 L657 F661 L662 C695 S696 N701 I702 I703 | F640-F699 AromaticContact CE2-CD2 3.92Å; F640-F699 HydrophobicContact CE2-CD2 3.92Å; F640-F699 HydrophobicContact CE2-CE2 4.24Å; F640-F699 HydrophobicContact CZ-CB 4.19Å; F640-F699 HydrophobicContact CZ-CD2 4.07Å; F640-F699 HydrophobicContact CZ-CG 4.27Å; I644-F699 HydrophobicContact CD1-CB 3.73Å; I644-F699 HydrophobicContact CD1-CD2 3.62Å; I644-F699 HydrophobicContact CD1-CG 4.17Å; L657-F699 HydrophobicContact CB-CE2 4.2Å; L657-F699 HydrophobicContact CB-CZ 4.03Å; L657-F699 HydrophobicContact CD1-CD2 4.38Å; L657-F699 HydrophobicContact CD1-CE2 3.94Å; L657-F699 HydrophobicContact CD2-CE2 3.97Å; L657-F699 HydrophobicContact CD2-CZ 4.42Å; L657-F699 HydrophobicContact CG-CE2 4.25Å; F661-F699 HydrophobicContact CD1-CZ 4.3Å; L662-F699 HydrophobicContact CD1-CB 4.19Å; L662-F699 HydrophobicContact CD1-CD1 3.43Å; L662-F699 VanDerWaalsContact CD1-CD1 3.43Å; L662-F699 HydrophobicContact CD1-CE1 4.01Å; L662-F699 HydrophobicContact CD1-CG 4.05Å; L662-F699 HydrophobicContact CD2-CD1 4.41Å; L662-F699 HydrophobicContact CG-CD1 3.83Å; L662-F699 HydrophobicContact CG-CE1 3.89Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 PolarHBondContact O-N 2.93Å; S696-F699 WeakPolarHBondContact O-CB 3.38Å; S696-F699 PolarHBondContact O-N 2.91Å; F699-N701 PolarHBondContact O-N 2.88Å; F699-I702 PolarHBondContact O-N 2.79Å; F699-I703 HydrophobicContact CD1-CD1 3.77Å; F699-I703 HydrophobicContact CE1-CD1 3.41Å; F699-I703 VanDerWaalsContact CE1-CD1 3.41Å; F699-I703 HydrophobicContact CZ-CD1 3.93Å; F699-I703 PolarHBondContact O-N 2.99Å |
| 700 | L | 85.4 | Confident | 81.9 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 177.7 | -172 | 64.3 | 0 | 0 | 0 | 111.6 | S696 I702 I703 T704 L735 | S696-L700 PolarHBondContact O-N 2.96Å; L700-I702 VanDerWaalsContact C-N 3.27Å; L700-I702 PolarHBondContact O-N 3.11Å; L700-I703 PolarHBondContact O-N 3.02Å; L700-T704 HydrophobicContact CD1-CG2 4.42Å; L700-T704 HydrophobicContact CG-CG2 4.41Å; L700-T704 WeakPolarHBondContact O-CG2 3.28Å; L700-T704 PolarHBondContact O-N 3.35Å; L700-T704 PolarHBondContact O-OG1 3.09Å; L700-T704 VanDerWaalsContact O-OG1 3.07Å; L700-L735 HydrophobicContact CD2-CB 3.82Å; L700-L735 HydrophobicContact CD2-CD1 4.34Å |
| 701 | N | 84.5 | Confident | 80 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -30.6 | 176.4 | -71 | -4.2 | 0 | 0 | 0 | 113.6 | L697 K698 F699 T704 K705 | L697-N701 WeakPolarHBondContact O-CB 3.3Å; L697-N701 PolarHBondContact O-N 2.74Å; L697-N701 PolarHBondContact O-ND2 3Å; L697-N701 PolarHBondContact O-OD1 2.84Å; K698-N701 PolarHBondContact O-N 3.12Å; F699-N701 PolarHBondContact O-N 2.88Å; N701-T704 WeakPolarHBondContact CA-OG1 3.39Å; N701-T704 PolarHBondContact O-OG1 3.32Å; N701-K705 VanDerWaalsContact O-CB 3.29Å; N701-K705 WeakPolarHBondContact O-CB 3.43Å; N701-K705 PolarHBondContact O-N 3.12Å |
| 702 | I | 83.5 | Confident | 77.7 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.5 | -48.3 | 175.2 | -68.2 | 159.4 | 0 | 0 | 0 | 109.8 | I644 C647 E648 A654 K698 F699 L700 K705 L706 | I644-I702 HydrophobicContact CG2-CD1 4Å; C647-I702 HydrophobicContact CB-CD1 4.42Å; E648-I702 HydrophobicContact CG-CD1 3.65Å; E648-I702 HydrophobicContact CG-CG1 4.25Å; A654-I702 HydrophobicContact CB-CG2 4.02Å; K698-I702 WeakPolarHBondContact O-CD1 3.21Å; K698-I702 VanDerWaalsContact O-CG1 3.27Å; K698-I702 WeakPolarHBondContact O-CG1 3.31Å; K698-I702 PolarHBondContact O-N 2.96Å; F699-I702 PolarHBondContact O-N 2.79Å; L700-I702 VanDerWaalsContact C-N 3.27Å; L700-I702 PolarHBondContact O-N 3.11Å; I702-K705 PolarHBondContact O-N 2.82Å; I702-L706 HydrophobicContact CG2-CD1 3.79Å; I702-L706 WeakPolarHBondContact O-CD1 3.39Å; I702-L706 WeakPolarHBondContact O-CG 3.44Å; I702-L706 PolarHBondContact O-N 3.13Å; I702-L706 VanDerWaalsContact O-N 3.09Å |
| 703 | I | 81.5 | Confident | 75.4 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | -178.8 | -61.8 | 171.1 | 0 | 0 | 0 | 111.1 | L657 E659 F699 L700 K705 L706 R707 | L657-I703 HydrophobicContact CB-CD1 4.02Å; L657-I703 HydrophobicContact CB-CG1 4.23Å; E659-I703 HydrophobicContact CG-CB 4.45Å; E659-I703 HydrophobicContact CG-CD1 3.83Å; E659-I703 HydrophobicContact CG-CG2 3.8Å; F699-I703 HydrophobicContact CD1-CD1 3.77Å; F699-I703 HydrophobicContact CE1-CD1 3.41Å; F699-I703 VanDerWaalsContact CE1-CD1 3.41Å; F699-I703 HydrophobicContact CZ-CD1 3.93Å; F699-I703 PolarHBondContact O-N 2.99Å; L700-I703 PolarHBondContact O-N 3.02Å; I703-K705 VanDerWaalsContact C-N 3.33Å; I703-K705 PolarHBondContact O-N 2.92Å; I703-L706 PolarHBondContact O-N 3.44Å; I703-R707 PolarHBondContact O-N 2.85Å |
| 704 | T | 79.3 | Confident | 72.7 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 28% | 0.282 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | L700 N701 R707 S708 A731 | L700-T704 HydrophobicContact CD1-CG2 4.42Å; L700-T704 HydrophobicContact CG-CG2 4.41Å; L700-T704 WeakPolarHBondContact O-CG2 3.28Å; L700-T704 PolarHBondContact O-N 3.35Å; L700-T704 PolarHBondContact O-OG1 3.09Å; L700-T704 VanDerWaalsContact O-OG1 3.07Å; N701-T704 WeakPolarHBondContact CA-OG1 3.39Å; N701-T704 PolarHBondContact O-OG1 3.32Å; T704-R707 PolarHBondContact O-N 3.13Å; T704-S708 PolarHBondContact O-N 2.74Å; T704-A731 HydrophobicContact CG2-CB 3.63Å |
| 705 | K | 78.7 | Confident | 70.2 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.4 | -179.5 | 175.2 | -179.5 | -79.5 | 0 | 111.6 | N701 I702 I703 R707 S708 E709 | N701-K705 VanDerWaalsContact O-CB 3.29Å; N701-K705 WeakPolarHBondContact O-CB 3.43Å; N701-K705 PolarHBondContact O-N 3.12Å; I702-K705 PolarHBondContact O-N 2.82Å; I703-K705 VanDerWaalsContact C-N 3.33Å; I703-K705 PolarHBondContact O-N 2.92Å; K705-R707 VanDerWaalsContact C-N 3.33Å; K705-R707 PolarHBondContact O-N 2.86Å; K705-S708 PolarHBondContact O-N 2.73Å; K705-S708 VanDerWaalsContact O-N 3.09Å; K705-S708 PolarHBondContact O-OG 3.01Å; K705-E709 WeakPolarHBondContact CE-OE1 3.47Å; K705-E709 HydrophobicContact CG-CG 4.48Å; K705-E709 IonicContact NZ-OE1 2.99Å; K705-E709 PolarHBondContact NZ-OE1 2.96Å; K705-E709 IonicContact NZ-OE2 2.82Å; K705-E709 PolarHBondContact NZ-OE2 2.68Å; K705-E709 PolarHBondContact O-N 2.79Å |
| 706 | L | 71.5 | Confident | 67.4 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | -178.5 | -67.4 | 157.3 | 0 | 0 | 0 | 112.7 | N651 A654 I702 I703 E709 S710 | N651-L706 HydrophobicContact CB-CD2 4.15Å; A654-L706 HydrophobicContact CB-CD1 3.19Å; I702-L706 HydrophobicContact CG2-CD1 3.79Å; I702-L706 WeakPolarHBondContact O-CD1 3.39Å; I702-L706 WeakPolarHBondContact O-CG 3.44Å; I702-L706 PolarHBondContact O-N 3.13Å; I702-L706 VanDerWaalsContact O-N 3.09Å; I703-L706 PolarHBondContact O-N 3.44Å; L706-E709 PolarHBondContact O-N 3.14Å; L706-S710 PolarHBondContact O-N 2.97Å; L706-S710 VanDerWaalsContact O-N 3.16Å; L706-S710 PolarHBondContact O-OG 3.17Å |
| 707 | R | 69.3 | Low | 64.6 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 42% | 0.415 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 168.6 | -72.5 | -172.8 | 179.7 | 152.4 | 6.4 | 111.9 | E659 I703 T704 K705 E709 S710 | E659-R707 IonicContact OE1-CZ 2.69Å; E659-R707 IonicContact OE1-NH1 3.82Å; E659-R707 PolarHBondContact OE1-NH1 3.43Å; E659-R707 IonicContact OE1-NH2 3.63Å; E659-R707 IonicContact OE2-CZ 3.61Å; E659-R707 IonicContact OE2-NH1 2.68Å; E659-R707 PolarHBondContact OE2-NH1 2.72Å; E659-R707 IonicContact OE2-NH2 3.7Å; E659-R707 PolarHBondContact OE2-NH2 3.45Å; I703-R707 PolarHBondContact O-N 2.85Å; T704-R707 PolarHBondContact O-N 3.13Å; K705-R707 VanDerWaalsContact C-N 3.33Å; K705-R707 PolarHBondContact O-N 2.86Å; R707-E709 VanDerWaalsContact C-N 3.35Å; R707-E709 PolarHBondContact O-N 2.74Å; R707-S710 WeakPolarHBondContact CA-OG 3.26Å; R707-S710 PolarHBondContact O-N 3.33Å; R707-S710 PolarHBondContact O-OG 3.2Å; R707-S710 VanDerWaalsContact O-OG 3.1Å |
| 708 | S | 66.7 | Low | 61.9 | Low | 69 Ų | 69 | 89.5 Ų | 89.5 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -30.9 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 114 | T704 K705 S710 T711 | T704-S708 PolarHBondContact O-N 2.74Å; K705-S708 PolarHBondContact O-N 2.73Å; K705-S708 VanDerWaalsContact O-N 3.09Å; K705-S708 PolarHBondContact O-OG 3.01Å; S708-S710 VanDerWaalsContact C-N 3.35Å; S708-T711 PolarHBondContact O-OG1 2.85Å |
| 709 | E | 62.8 | Low | 59.5 | Low | 99 Ų | 99 | 92.4 Ų | 92.4 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.1 | -17 | 177 | -71.3 | -180 | 149.2 | 0 | 0 | 113.1 | K705 L706 R707 | K705-E709 WeakPolarHBondContact CE-OE1 3.47Å; K705-E709 HydrophobicContact CG-CG 4.48Å; K705-E709 IonicContact NZ-OE1 2.99Å; K705-E709 PolarHBondContact NZ-OE1 2.96Å; K705-E709 IonicContact NZ-OE2 2.82Å; K705-E709 PolarHBondContact NZ-OE2 2.68Å; K705-E709 PolarHBondContact O-N 2.79Å; L706-E709 PolarHBondContact O-N 3.14Å; R707-E709 VanDerWaalsContact C-N 3.35Å; R707-E709 PolarHBondContact O-N 2.74Å |
| 710 | S | 57.6 | Low | 57.1 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -95.1 | -10.6 | -178.6 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | L706 R707 S708 | L706-S710 PolarHBondContact O-N 2.97Å; L706-S710 VanDerWaalsContact O-N 3.16Å; L706-S710 PolarHBondContact O-OG 3.17Å; R707-S710 WeakPolarHBondContact CA-OG 3.26Å; R707-S710 PolarHBondContact O-N 3.33Å; R707-S710 PolarHBondContact O-OG 3.2Å; R707-S710 VanDerWaalsContact O-OG 3.1Å; S708-S710 VanDerWaalsContact C-N 3.35Å |
| 711 | T | 50.2 | Low | 54.5 | Low | 107 Ų | 107 | 107 Ų | 107 | 66% | 0.656 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -82.3 | -18.2 | -179.9 | 43.1 | 0 | 0 | 0 | 0 | 115.4 | S708 V713 | S708-T711 PolarHBondContact O-OG1 2.85Å; T711-V713 PolarHBondContact O-N 3.21Å |
| 712 | D | 43.3 | Very low | 52.1 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -84.9 | 2.7 | -165.5 | -108.7 | -18.8 | 0 | 0 | 0 | 115.9 | ||
| 713 | V | 43.7 | Very low | 49.7 | Very low | 123 Ų | 123 | 115 Ų | 115 | 75% | 0.745 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -126.4 | 76.3 | -176 | -165.5 | 0 | 0 | 0 | 0 | 113.6 | T711 | T711-V713 PolarHBondContact O-N 3.21Š|
| 714 | K | 32.8 | Very low | 47.6 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | trans | 40.3 | 109.1 | 142.5 | -56.9 | 169.3 | -173.6 | 170.2 | 0 | 117.9 | ||||
| 715 | H | 38.9 | Very low | 45.6 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 75% | 0.75 | 66% | 0.657 | S | S | * | * | -177.6 | 112.3 | 107.8 | -102.8 | -76 | 0 | 0 | 0 | 115.8 | |||||
| 716 | K | 30.8 | Very low | 43.8 | Very low | 187 Ų | 187 | 121.1 Ų | 121.1 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | trans | 42 | 99.8 | 143 | -60.2 | -178.4 | 178.8 | -177.8 | 0 | 120.8 | ||||
| 717 | S | 30.8 | Very low | 42.8 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | -155.4 | 142.7 | 119.5 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 718 | P | 33.7 | Very low | 42.2 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 71% | 0.714 | 68% | 0.679 | S | S | * | * | trans | -110.2 | 31.6 | -163.9 | 42.4 | -35.2 | 0 | 0 | 0 | 115.9 | ||||
| 719 | D | 37.8 | Very low | 41.9 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -104.5 | -5.4 | -172.3 | -69.4 | -66.6 | 0 | 0 | 0 | 115.9 | ||
| 720 | F | 35.7 | Very low | 42.1 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 87% | 0.873 | 67% | 0.667 | S | S | * | * | trans | -124.9 | 69.3 | 178 | -85.4 | -92.9 | 0 | 0 | 0 | 112.3 | H722 | F720-H722 PolarHBondContact O-N 3.47Š| ||
| 721 | V | 32.4 | Very low | 42.6 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | trans | -95.1 | 64.6 | 172.1 | -170 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 722 | H | 33.7 | Very low | 43.8 | Very low | 181 Ų | 181 | 121.5 Ų | 121.5 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -150.4 | 153.4 | 163.3 | -97.8 | -76.2 | 0 | 0 | 0 | 110.3 | F720 | F720-H722 PolarHBondContact O-N 3.47Š|
| 723 | D | 33.3 | Very low | 45.7 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | trans | 64 | 41.7 | 174.9 | -123.6 | -20.4 | 0 | 0 | 0 | 117.9 | Q725 G726 K729 | D723-Q725 PolarHBondContact O-N 3.34Å; D723-Q725 WeakPolarHBondContact OD1-CB 3.49Å; D723-G726 PolarHBondContact O-N 3.17Å; D723-K729 IonicContact OD1-NZ 2.67Å; D723-K729 PolarHBondContact OD1-NZ 3.4Å; D723-K729 IonicContact OD2-NZ 2.91Å | ||
| 724 | C | 36.2 | Very low | 47.5 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 87% | 0.865 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 6 | 154 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 725 | Q | 36.9 | Very low | 50 | Low | 136 Ų | 136 | 109.6 Ų | 109.6 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -2.1 | 165.1 | -60.2 | -179.6 | -7.6 | 0 | 0 | 112.1 | D723 K729 | D723-Q725 PolarHBondContact O-N 3.34Å; D723-Q725 WeakPolarHBondContact OD1-CB 3.49Å; Q725-K729 VanDerWaalsContact O-CD 3.24Å; Q725-K729 WeakPolarHBondContact O-CD 3.28Å; Q725-K729 WeakPolarHBondContact O-CE 3.34Å; Q725-K729 VanDerWaalsContact O-CG 3.22Å; Q725-K729 WeakPolarHBondContact O-CG 3.21Å |
| 726 | G | 42 | Very low | 52.2 | Low | 18 Ų | 18 | 104.9 Ų | 104.9 | 19% | 0.186 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -65.3 | -47.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D723 Q728 K729 T730 | D723-G726 PolarHBondContact O-N 3.17Å; G726-Q728 VanDerWaalsContact C-N 3.32Å; G726-Q728 PolarHBondContact O-N 3.07Å; G726-K729 WeakPolarHBondContact O-CA 3.29Å; G726-K729 WeakPolarHBondContact O-CB 3.17Å; G726-K729 PolarHBondContact O-N 3.36Å; G726-T730 PolarHBondContact O-N 2.89Å |
| 727 | D | 51.4 | Low | 54.9 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 60% | 0.599 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72 | -22.3 | -169.3 | -63.4 | -53.7 | 0 | 0 | 0 | 114.7 | T730 | D727-T730 WeakPolarHBondContact CA-OG1 3.18Å; D727-T730 PolarHBondContact O-OG1 3.36Å |
| 728 | Q | 55.1 | Low | 57.5 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -78 | -38.1 | 168.8 | -72.2 | 177.7 | -13.1 | 0 | 0 | 110.9 | G726 T730 A731 D732 | G726-Q728 VanDerWaalsContact C-N 3.32Å; G726-Q728 PolarHBondContact O-N 3.07Å; Q728-T730 VanDerWaalsContact C-N 3.34Å; Q728-T730 PolarHBondContact O-N 3.45Å; Q728-A731 PolarHBondContact O-N 2.91Å; Q728-D732 WeakPolarHBondContact O-CB 3.39Å; Q728-D732 PolarHBondContact O-N 3.17Å |
| 729 | K | 60.1 | Low | 60.1 | Low | 88 Ų | 88 | 93 Ų | 93 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 174.1 | -63.3 | 161.9 | -168.7 | 167.5 | 0 | 111.8 | D723 Q725 G726 N733 | D723-K729 IonicContact OD1-NZ 2.67Å; D723-K729 PolarHBondContact OD1-NZ 3.4Å; D723-K729 IonicContact OD2-NZ 2.91Å; Q725-K729 VanDerWaalsContact O-CD 3.24Å; Q725-K729 WeakPolarHBondContact O-CD 3.28Å; Q725-K729 WeakPolarHBondContact O-CE 3.34Å; Q725-K729 VanDerWaalsContact O-CG 3.22Å; Q725-K729 WeakPolarHBondContact O-CG 3.21Å; G726-K729 WeakPolarHBondContact O-CA 3.29Å; G726-K729 WeakPolarHBondContact O-CB 3.17Å; G726-K729 PolarHBondContact O-N 3.36Å; K729-N733 WeakPolarHBondContact O-CB 3.34Å; K729-N733 PolarHBondContact O-N 3.17Å; K729-N733 PolarHBondContact O-ND2 3.12Å; K729-N733 PolarHBondContact O-OD1 3.45Å |
| 730 | T | 67.7 | Low | 62.5 | Low | 51 Ų | 51 | 90.6 Ų | 90.6 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 178.2 | 54 | 0 | 0 | 0 | 0 | 111.8 | G726 D727 Q728 N733 Y734 | G726-T730 PolarHBondContact O-N 2.89Å; D727-T730 WeakPolarHBondContact CA-OG1 3.18Å; D727-T730 PolarHBondContact O-OG1 3.36Å; Q728-T730 VanDerWaalsContact C-N 3.34Å; Q728-T730 PolarHBondContact O-N 3.45Å; T730-N733 WeakPolarHBondContact O-CB 3.41Å; T730-N733 PolarHBondContact O-N 3.37Å; T730-Y734 WeakPolarHBondContact O-CD2 3.44Å; T730-Y734 PolarHBondContact O-N 2.86Å |
| 731 | A | 68 | Low | 65.1 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 12% | 0.124 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T704 Q728 N733 Y734 L735 | T704-A731 HydrophobicContact CG2-CB 3.63Å; Q728-A731 PolarHBondContact O-N 2.91Å; A731-N733 VanDerWaalsContact C-N 3.35Å; A731-N733 PolarHBondContact O-N 2.92Å; A731-Y734 PolarHBondContact O-N 2.94Å; A731-L735 VanDerWaalsContact O-CB 3.31Å; A731-L735 WeakPolarHBondContact O-CB 3.37Å; A731-L735 PolarHBondContact O-N 3.02Å |
| 732 | D | 76.6 | Confident | 67.8 | Low | 102 Ų | 102 | 77 Ų | 77 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 175.9 | -84.6 | -35.1 | 0 | 0 | 0 | 112.4 | Q728 L735 S736 | Q728-D732 WeakPolarHBondContact O-CB 3.39Å; Q728-D732 PolarHBondContact O-N 3.17Å; D732-L735 PolarHBondContact O-N 3Å; D732-S736 WeakPolarHBondContact O-CB 3.38Å; D732-S736 PolarHBondContact O-N 3.43Å |
| 733 | N | 81.5 | Confident | 70.4 | Confident | 98 Ų | 98 | 72 Ų | 72 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -50.6 | 173.8 | -75.9 | -18.3 | 0 | 0 | 0 | 111 | K729 T730 A731 L735 S736 I737 | K729-N733 WeakPolarHBondContact O-CB 3.34Å; K729-N733 PolarHBondContact O-N 3.17Å; K729-N733 PolarHBondContact O-ND2 3.12Å; K729-N733 PolarHBondContact O-OD1 3.45Å; T730-N733 WeakPolarHBondContact O-CB 3.41Å; T730-N733 PolarHBondContact O-N 3.37Å; A731-N733 VanDerWaalsContact C-N 3.35Å; A731-N733 PolarHBondContact O-N 2.92Å; N733-L735 VanDerWaalsContact C-N 3.32Å; N733-L735 PolarHBondContact O-N 2.7Å; N733-S736 WeakPolarHBondContact O-CB 3.31Å; N733-S736 PolarHBondContact O-N 2.85Å; N733-S736 VanDerWaalsContact O-N 3.08Å; N733-S736 PolarHBondContact O-OG 3.44Å; N733-I737 WeakPolarHBondContact O-CG1 3.49Å; N733-I737 PolarHBondContact O-N 3.34Å |
| 734 | Y | 81.8 | Confident | 73 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.4 | -73.6 | -60.6 | 0 | 0 | 0 | 112.1 | E659 T730 A731 S736 I737 L738 | E659-Y734 HydrophobicContact CB-CD2 4.27Å; E659-Y734 HydrophobicContact CB-CE2 4.17Å; E659-Y734 VanDerWaalsContact OE2-CE2 3.26Å; E659-Y734 WeakPolarHBondContact OE2-CE2 3.37Å; T730-Y734 WeakPolarHBondContact O-CD2 3.44Å; T730-Y734 PolarHBondContact O-N 2.86Å; A731-Y734 PolarHBondContact O-N 2.94Å; Y734-S736 VanDerWaalsContact C-N 3.28Å; Y734-S736 PolarHBondContact O-N 3.02Å; Y734-I737 PolarHBondContact O-N 3.22Å; Y734-L738 VanDerWaalsContact O-CB 3.25Å; Y734-L738 WeakPolarHBondContact O-CB 3.46Å; Y734-L738 PolarHBondContact O-N 3.2Å |
| 735 | L | 84.9 | Confident | 75.6 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -31.7 | 174.6 | -175.7 | 56.4 | 0 | 0 | 0 | 112.4 | L697 L700 A731 D732 N733 L738 R739 F773 | L697-L735 HydrophobicContact CD1-CD1 4.06Å; L700-L735 HydrophobicContact CD2-CB 3.82Å; L700-L735 HydrophobicContact CD2-CD1 4.34Å; A731-L735 VanDerWaalsContact O-CB 3.31Å; A731-L735 WeakPolarHBondContact O-CB 3.37Å; A731-L735 PolarHBondContact O-N 3.02Å; D732-L735 PolarHBondContact O-N 3Å; N733-L735 VanDerWaalsContact C-N 3.32Å; N733-L735 PolarHBondContact O-N 2.7Å; L735-L738 HydrophobicContact CD1-CD2 4.21Å; L735-R739 HydrophobicContact CD1-CG 4.48Å; L735-R739 VanDerWaalsContact O-CB 3.25Å; L735-R739 WeakPolarHBondContact O-CB 3.32Å; L735-R739 WeakPolarHBondContact O-CD 3.24Å; L735-R739 WeakPolarHBondContact O-CG 3.41Å; L735-R739 PolarHBondContact O-N 3.46Å; L735-F773 HydrophobicContact CD1-CE2 4.16Å |
| 736 | S | 85.3 | Confident | 78.1 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.3 | -42.6 | 174.9 | 82.7 | 0 | 0 | 0 | 0 | 112.4 | D732 N733 Y734 R739 L740 | D732-S736 WeakPolarHBondContact O-CB 3.38Å; D732-S736 PolarHBondContact O-N 3.43Å; N733-S736 WeakPolarHBondContact O-CB 3.31Å; N733-S736 PolarHBondContact O-N 2.85Å; N733-S736 VanDerWaalsContact O-N 3.08Å; N733-S736 PolarHBondContact O-OG 3.44Å; Y734-S736 VanDerWaalsContact C-N 3.28Å; Y734-S736 PolarHBondContact O-N 3.02Å; S736-R739 PolarHBondContact O-N 2.79Å; S736-L740 PolarHBondContact O-N 2.95Å |
| 737 | I | 87.2 | Confident | 80.3 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 36% | 0.359 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 176 | -64 | 163.4 | 0 | 0 | 0 | 110.1 | A663 N733 Y734 R739 L740 H741 | A663-I737 HydrophobicContact CB-CG2 4.16Å; N733-I737 WeakPolarHBondContact O-CG1 3.49Å; N733-I737 PolarHBondContact O-N 3.34Å; Y734-I737 PolarHBondContact O-N 3.22Å; I737-R739 VanDerWaalsContact C-N 3.33Å; I737-R739 PolarHBondContact O-N 3.1Å; I737-L740 WeakPolarHBondContact O-CB 3.31Å; I737-L740 PolarHBondContact O-N 2.98Å; I737-H741 PolarHBondContact O-N 3.48Å |
| 738 | L | 86.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.4 | -175 | 76.2 | 0 | 0 | 0 | 111.6 | L662 F667 Y734 L735 H741 I742 F773 | L662-L738 HydrophobicContact CB-CD1 4.21Å; L662-L738 HydrophobicContact CD1-CD1 4.3Å; F667-L738 HydrophobicContact CD2-CD1 3.66Å; F667-L738 HydrophobicContact CE2-CD1 3.46Å; F667-L738 VanDerWaalsContact CE2-CD1 3.46Å; F667-L738 HydrophobicContact CZ-CD1 4.28Å; Y734-L738 VanDerWaalsContact O-CB 3.25Å; Y734-L738 WeakPolarHBondContact O-CB 3.46Å; Y734-L738 PolarHBondContact O-N 3.2Å; L735-L738 HydrophobicContact CD1-CD2 4.21Å; L738-H741 PolarHBondContact O-N 3.36Å; L738-I742 HydrophobicContact CD1-CD1 4.24Å; L738-I742 HydrophobicContact CG-CD1 4.12Å; L738-I742 WeakPolarHBondContact O-CB 3.36Å; L738-I742 WeakPolarHBondContact O-CG1 3.35Å; L738-I742 PolarHBondContact O-N 2.88Å; L738-F773 HydrophobicContact CD2-CE2 3.75Å; L738-F773 HydrophobicContact CD2-CZ 3.84Å; L738-F773 HydrophobicContact CG-CE2 4.35Å; L738-F773 HydrophobicContact CG-CZ 3.95Å |
| 739 | R | 89.2 | Confident | 83.7 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 174.9 | -82.2 | 169.6 | 171.5 | 150.5 | 0.6 | 112.2 | L735 S736 I737 Q743 F773 F774 | L735-R739 HydrophobicContact CD1-CG 4.48Å; L735-R739 VanDerWaalsContact O-CB 3.25Å; L735-R739 WeakPolarHBondContact O-CB 3.32Å; L735-R739 WeakPolarHBondContact O-CD 3.24Å; L735-R739 WeakPolarHBondContact O-CG 3.41Å; L735-R739 PolarHBondContact O-N 3.46Å; S736-R739 PolarHBondContact O-N 2.79Å; I737-R739 VanDerWaalsContact C-N 3.33Å; I737-R739 PolarHBondContact O-N 3.1Å; R739-Q743 WeakPolarHBondContact O-CB 3.45Å; R739-Q743 PolarHBondContact O-N 2.88Å; R739-F773 HydrophobicContact CB-CE1 4.33Å; R739-F773 HydrophobicContact CG-CD1 4.38Å; R739-F773 HydrophobicContact CG-CE1 3.58Å; R739-F773 HydrophobicContact CG-CZ 3.68Å; R739-F773 PolarHBondContact NE-O 3.18Å; R739-F773 VanDerWaalsContact NE-O 3.11Å; R739-F773 PolarHBondContact NH2-O 2.91Å; R739-F774 HydrophobicContact CG-CD1 4.5Å |
| 740 | L | 88.1 | Confident | 85 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.9 | -51.3 | 175.6 | -179.7 | 62 | 0 | 0 | 0 | 111.1 | S736 I737 I742 Q743 E744 | S736-L740 PolarHBondContact O-N 2.95Å; I737-L740 WeakPolarHBondContact O-CB 3.31Å; I737-L740 PolarHBondContact O-N 2.98Å; L740-I742 PolarHBondContact O-N 3.08Å; L740-Q743 WeakPolarHBondContact O-CB 3.49Å; L740-Q743 PolarHBondContact O-N 3.39Å; L740-Q743 VanDerWaalsContact O-N 3.16Å; L740-E744 HydrophobicContact CD1-CG 4.31Å; L740-E744 VanDerWaalsContact O-CG 3.29Å; L740-E744 WeakPolarHBondContact O-CG 3.24Å; L740-E744 PolarHBondContact O-N 2.82Å |
| 741 | H | 88.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 179.2 | -74.1 | -20.9 | 0 | 0 | 0 | 113.8 | F667 I737 L738 Q743 E744 R745 | F667-H741 HydrophobicContact CB-CB 4.1Å; I737-H741 PolarHBondContact O-N 3.48Å; L738-H741 PolarHBondContact O-N 3.36Å; H741-Q743 VanDerWaalsContact C-N 3.35Å; H741-E744 WeakPolarHBondContact CA-OE2 3.5Å; H741-E744 IonicContact ND1-OE2 3.55Å; H741-E744 PolarHBondContact ND1-OE2 3.28Å; H741-R745 VanDerWaalsContact O-CD 3.25Å; H741-R745 WeakPolarHBondContact O-CD 3.12Å; H741-R745 PolarHBondContact O-N 3.44Å; H741-R745 PolarHBondContact O-NH1 3.33Å |
| 742 | I | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -33.9 | 177.1 | -67.7 | 175.9 | 0 | 0 | 0 | 110.8 | F667 L689 A693 L738 L740 L746 L770 F773 F774 | F667-I742 HydrophobicContact CD1-CG1 4.06Å; F667-I742 HydrophobicContact CE1-CD1 3.87Å; F667-I742 HydrophobicContact CE1-CG1 3.61Å; F667-I742 HydrophobicContact CE2-CD1 4.39Å; F667-I742 HydrophobicContact CZ-CD1 3.72Å; F667-I742 HydrophobicContact CZ-CG1 3.98Å; L689-I742 HydrophobicContact CD1-CG1 4.41Å; L689-I742 HydrophobicContact CD1-CG2 4.17Å; L689-I742 HydrophobicContact CG-CG2 4.38Å; A693-I742 HydrophobicContact CB-CD1 3.89Å; A693-I742 HydrophobicContact CB-CG2 4.29Å; L738-I742 HydrophobicContact CD1-CD1 4.24Å; L738-I742 HydrophobicContact CG-CD1 4.12Å; L738-I742 WeakPolarHBondContact O-CB 3.36Å; L738-I742 WeakPolarHBondContact O-CG1 3.35Å; L738-I742 PolarHBondContact O-N 2.88Å; L740-I742 PolarHBondContact O-N 3.08Å; I742-L746 WeakPolarHBondContact O-CB 3.38Å; I742-L746 PolarHBondContact O-N 2.94Å; I742-L770 HydrophobicContact CG2-CD2 4.48Å; I742-F773 HydrophobicContact CB-CE1 4.04Å; I742-F773 HydrophobicContact CD1-CE1 3.85Å; I742-F773 HydrophobicContact CD1-CE2 4.32Å; I742-F773 HydrophobicContact CD1-CZ 3.67Å; I742-F773 HydrophobicContact CG2-CD1 4.36Å; I742-F773 HydrophobicContact CG2-CE1 4.01Å; I742-F774 HydrophobicContact CG2-CE2 4.44Å; I742-F774 HydrophobicContact CG2-CZ 4Å |
| 743 | Q | 89.2 | Confident | 87.3 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -51.6 | 172.1 | 178.5 | 175.5 | -32.5 | 0 | 0 | 111.3 | R739 L740 H741 R745 L746 V747 F774 T782 | R739-Q743 WeakPolarHBondContact O-CB 3.45Å; R739-Q743 PolarHBondContact O-N 2.88Å; L740-Q743 WeakPolarHBondContact O-CB 3.49Å; L740-Q743 PolarHBondContact O-N 3.39Å; L740-Q743 VanDerWaalsContact O-N 3.16Å; H741-Q743 VanDerWaalsContact C-N 3.35Å; Q743-R745 VanDerWaalsContact C-N 3.3Å; Q743-R745 PolarHBondContact O-N 3.27Å; Q743-L746 WeakPolarHBondContact O-CB 3.36Å; Q743-L746 PolarHBondContact O-N 3.47Å; Q743-L746 VanDerWaalsContact O-N 3.09Å; Q743-V747 HydrophobicContact CG-CG2 4.22Å; Q743-V747 VanDerWaalsContact O-CG2 3.3Å; Q743-V747 WeakPolarHBondContact O-CG2 3.21Å; Q743-V747 PolarHBondContact O-N 3.28Å; Q743-F774 HydrophobicContact CB-CE1 4.01Å; Q743-F774 HydrophobicContact CB-CZ 4.15Å; Q743-T782 VanDerWaalsContact CD-CG2 3.49Å; Q743-T782 HydrophobicContact CG-CG2 4Å |
| 744 | E | 88.1 | Confident | 87.5 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.6 | -47.7 | 178.3 | -70.7 | 167.3 | 147.9 | 0 | 0 | 111.8 | L740 H741 V747 A748 | L740-E744 HydrophobicContact CD1-CG 4.31Å; L740-E744 VanDerWaalsContact O-CG 3.29Å; L740-E744 WeakPolarHBondContact O-CG 3.24Å; L740-E744 PolarHBondContact O-N 2.82Å; H741-E744 WeakPolarHBondContact CA-OE2 3.5Å; H741-E744 IonicContact ND1-OE2 3.55Å; H741-E744 PolarHBondContact ND1-OE2 3.28Å; E744-V747 PolarHBondContact O-N 2.96Å; E744-A748 PolarHBondContact O-N 3.09Å; E744-A748 VanDerWaalsContact O-N 3.15Å |
| 745 | R | 89.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 179.1 | -82.1 | 43.9 | 141.7 | -153.3 | -4.1 | 110.9 | F667 L689 H741 Q743 L749 | F667-R745 PolarHBondContact O-NH2 3.35Å; L689-R745 HydrophobicContact CD1-CB 4.45Å; L689-R745 HydrophobicContact CD2-CB 4.17Å; H741-R745 VanDerWaalsContact O-CD 3.25Å; H741-R745 WeakPolarHBondContact O-CD 3.12Å; H741-R745 PolarHBondContact O-N 3.44Å; H741-R745 PolarHBondContact O-NH1 3.33Å; Q743-R745 VanDerWaalsContact C-N 3.3Å; Q743-R745 PolarHBondContact O-N 3.27Å; R745-L749 WeakPolarHBondContact O-CD1 3.43Å; R745-L749 VanDerWaalsContact O-CG 3.28Å; R745-L749 WeakPolarHBondContact O-CG 3.47Å; R745-L749 PolarHBondContact O-N 3.18Å; R745-L749 VanDerWaalsContact O-N 3.16Å |
| 746 | L | 89.5 | Confident | 87.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 176.1 | 179.6 | 64.2 | 0 | 0 | 0 | 112.1 | L689 I742 Q743 A748 L749 L750 L761 L770 F774 L783 | L689-L746 HydrophobicContact CD2-CB 4.18Å; I742-L746 WeakPolarHBondContact O-CB 3.38Å; I742-L746 PolarHBondContact O-N 2.94Å; Q743-L746 WeakPolarHBondContact O-CB 3.36Å; Q743-L746 PolarHBondContact O-N 3.47Å; Q743-L746 VanDerWaalsContact O-N 3.09Å; L746-A748 PolarHBondContact O-N 2.97Å; L746-L749 PolarHBondContact O-N 2.71Å; L746-L750 HydrophobicContact CD1-CD1 3.82Å; L746-L750 HydrophobicContact CD1-CD2 4.44Å; L746-L750 HydrophobicContact CD1-CG 3.92Å; L746-L750 HydrophobicContact CD2-CD1 4.37Å; L746-L750 HydrophobicContact CG-CD1 3.75Å; L746-L750 HydrophobicContact CG-CG 4.24Å; L746-L750 WeakPolarHBondContact O-CB 3.07Å; L746-L750 VanDerWaalsContact O-CG 3.28Å; L746-L750 WeakPolarHBondContact O-CG 3.16Å; L746-L750 PolarHBondContact O-N 3.01Å; L746-L761 HydrophobicContact CD1-CD1 3.7Å; L746-L761 HydrophobicContact CD1-CD2 3.73Å; L746-L761 HydrophobicContact CD1-CG 4.32Å; L746-L770 HydrophobicContact CD1-CD1 3.85Å; L746-L770 HydrophobicContact CD2-CD1 4.31Å; L746-F774 HydrophobicContact CD2-CE2 3.66Å; L746-F774 HydrophobicContact CD2-CZ 4.17Å; L746-L783 HydrophobicContact CD2-CD1 4.25Å |
| 747 | V | 89 | Confident | 87.6 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | Q743 E744 S751 H786 | Q743-V747 HydrophobicContact CG-CG2 4.22Å; Q743-V747 VanDerWaalsContact O-CG2 3.3Å; Q743-V747 WeakPolarHBondContact O-CG2 3.21Å; Q743-V747 PolarHBondContact O-N 3.28Å; E744-V747 PolarHBondContact O-N 2.96Å; V747-S751 VanDerWaalsContact O-CB 3.24Å; V747-S751 WeakPolarHBondContact O-CB 3.34Å; V747-S751 PolarHBondContact O-N 3.3Å; V747-S751 PolarHBondContact O-OG 3.48Å; V747-H786 WeakPolarHBondContact CG2-NE2 3.31Å |
| 748 | A | 88.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 21% | 0.207 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M675 E744 L746 S751 D752 | M675-A748 HydrophobicContact SD-CB 4.31Å; E744-A748 PolarHBondContact O-N 3.09Å; E744-A748 VanDerWaalsContact O-N 3.15Å; L746-A748 PolarHBondContact O-N 2.97Å; A748-S751 CarbonylContact O-C 3.52Å; A748-S751 PolarHBondContact O-N 3.46Å; A748-S751 VanDerWaalsContact O-N 3.13Å; A748-D752 PolarHBondContact O-N 3.39Å |
| 749 | L | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.4 | -29.5 | -176.7 | -66.6 | 168.8 | 0 | 0 | 0 | 114 | R682 L685 A686 L689 R745 L746 S751 D752 V757 L761 | R682-L749 HydrophobicContact CB-CD2 4.02Å; R682-L749 WeakPolarHBondContact O-CD2 3.45Å; L685-L749 HydrophobicContact CB-CD1 4.48Å; L685-L749 HydrophobicContact CD2-CD1 4.04Å; L685-L749 HydrophobicContact CG-CD1 4.04Å; A686-L749 HydrophobicContact CB-CD1 4.31Å; L689-L749 HydrophobicContact CD2-CD1 4.13Å; R745-L749 WeakPolarHBondContact O-CD1 3.43Å; R745-L749 VanDerWaalsContact O-CG 3.28Å; R745-L749 WeakPolarHBondContact O-CG 3.47Å; R745-L749 PolarHBondContact O-N 3.18Å; R745-L749 VanDerWaalsContact O-N 3.16Å; L746-L749 PolarHBondContact O-N 2.71Å; L749-S751 VanDerWaalsContact C-N 3.34Å; L749-D752 WeakPolarHBondContact O-CB 3.43Å; L749-V757 HydrophobicContact CB-CG1 4.44Å; L749-V757 HydrophobicContact CD2-CG1 3.73Å; L749-L761 HydrophobicContact CB-CD1 3.63Å |
| 750 | L | 86.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.4 | -27.7 | 169.4 | -66.2 | 173.9 | 0 | 0 | 0 | 111.6 | L746 R758 L761 L783 H786 F790 | L746-L750 HydrophobicContact CD1-CD1 3.82Å; L746-L750 HydrophobicContact CD1-CD2 4.44Å; L746-L750 HydrophobicContact CD1-CG 3.92Å; L746-L750 HydrophobicContact CD2-CD1 4.37Å; L746-L750 HydrophobicContact CG-CD1 3.75Å; L746-L750 HydrophobicContact CG-CG 4.24Å; L746-L750 WeakPolarHBondContact O-CB 3.07Å; L746-L750 VanDerWaalsContact O-CG 3.28Å; L746-L750 WeakPolarHBondContact O-CG 3.16Å; L746-L750 PolarHBondContact O-N 3.01Å; L750-R758 WeakPolarHBondContact O-CG 3.3Å; L750-L761 HydrophobicContact CD2-CB 4.11Å; L750-L761 HydrophobicContact CD2-CD1 3.61Å; L750-L761 HydrophobicContact CD2-CG 4.5Å; L750-L761 HydrophobicContact CG-CD1 3.86Å; L750-L783 HydrophobicContact CD1-CD1 4.37Å; L750-H786 HydrophobicContact CB-CB 4.06Å; L750-H786 HydrophobicContact CD1-CB 3.53Å; L750-H786 HydrophobicContact CG-CB 4.42Å; L750-F790 HydrophobicContact CB-CZ 4.43Å; L750-F790 HydrophobicContact CD2-CE2 4.35Å; L750-F790 HydrophobicContact CD2-CZ 3.68Å; L750-F790 WeakPolarHBondContact O-CE1 3.49Å |
| 751 | S | 86.5 | Confident | 86.9 | Confident | 70 Ų | 70 | 35.7 Ų | 35.7 | 49% | 0.49 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -88.2 | -5.9 | 178.6 | -52.9 | 0 | 0 | 0 | 0 | 114 | V747 A748 L749 | V747-S751 VanDerWaalsContact O-CB 3.24Å; V747-S751 WeakPolarHBondContact O-CB 3.34Å; V747-S751 PolarHBondContact O-N 3.3Å; V747-S751 PolarHBondContact O-OG 3.48Å; A748-S751 CarbonylContact O-C 3.52Å; A748-S751 PolarHBondContact O-N 3.46Å; A748-S751 VanDerWaalsContact O-N 3.13Å; L749-S751 VanDerWaalsContact C-N 3.34Å |
| 752 | D | 88.8 | Confident | 86.5 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | trans | -48 | 138.4 | -173.1 | -164.7 | -61.3 | 0 | 0 | 0 | 113.4 | R682 A748 L749 H754 V757 R758 | R682-D752 IonicContact CZ-OD1 3.79Å; R682-D752 IonicContact CZ-OD2 3.86Å; R682-D752 IonicContact NE-OD1 2.73Å; R682-D752 IonicContact NE-OD2 3.91Å; R682-D752 PolarHBondContact NE-OD2 3.18Å; R682-D752 IonicContact NH2-OD1 3.61Å; R682-D752 PolarHBondContact NH2-OD1 2.69Å; R682-D752 IonicContact NH2-OD2 3.93Å; R682-D752 PolarHBondContact NH2-OD2 3.46Å; A748-D752 PolarHBondContact O-N 3.39Å; L749-D752 WeakPolarHBondContact O-CB 3.43Å; D752-H754 PolarHBondContact O-N 3.46Å; D752-H754 WeakPolarHBondContact OD1-CA 3.43Å; D752-H754 VanDerWaalsContact OD1-CB 3.31Å; D752-H754 WeakPolarHBondContact OD1-CB 3.22Å; D752-H754 PolarHBondContact OD1-N 3Å; D752-V757 HydrophobicContact CB-CB 3.97Å; D752-V757 HydrophobicContact CB-CG1 4Å; D752-V757 WeakPolarHBondContact OD2-CG1 3.23Å; D752-R758 HydrophobicContact CB-CG 4.37Å; D752-R758 PolarHBondContact O-NE 3.22Å; D752-R758 PolarHBondContact O-NH2 2.83Å | ||
| 753 | P | 85.5 | Confident | 86.2 | Confident | 112 Ų | 112 | 37.3 Ų | 37.3 | 73% | 0.727 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -64.1 | -18.7 | 175.9 | 26.2 | -36 | 0 | 0 | 0 | 114.5 | ||
| 754 | H | 87 | Confident | 85.6 | Confident | 73 Ų | 73 | 36.5 Ų | 36.5 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -98.5 | 118.8 | -175.6 | -154.7 | -91 | 0 | 0 | 0 | 111.7 | P679 D752 H756 V757 | P679-H754 HydrophobicContact CB-CB 4.3Å; D752-H754 PolarHBondContact O-N 3.46Å; D752-H754 WeakPolarHBondContact OD1-CA 3.43Å; D752-H754 VanDerWaalsContact OD1-CB 3.31Å; D752-H754 WeakPolarHBondContact OD1-CB 3.22Å; D752-H754 PolarHBondContact OD1-N 3Å; H754-H756 VanDerWaalsContact C-N 3.26Å; H754-H756 AromaticContact CE1-CD2 3.69Å; H754-H756 PolarHBondContact O-N 2.79Å; H754-H756 VanDerWaalsContact O-N 3.17Å; H754-V757 HydrophobicContact CB-CG2 4.11Å; H754-V757 PolarHBondContact O-N 3.43Å |
| 755 | P | 82.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -31.2 | -170.9 | 25.7 | -35.4 | 0 | 0 | 0 | 112.9 | V757 R758 L759 K796 L799 | P755-V757 VanDerWaalsContact C-N 3.31Å; P755-V757 PolarHBondContact O-N 3.31Å; P755-R758 PolarHBondContact O-N 2.9Å; P755-L759 WeakPolarHBondContact O-CB 3.35Å; P755-L759 VanDerWaalsContact O-CG 3.28Å; P755-L759 WeakPolarHBondContact O-CG 3.19Å; P755-L759 PolarHBondContact O-N 2.98Å; P755-K796 HydrophobicContact CB-CD 4.49Å; P755-K796 HydrophobicContact CB-CG 4.08Å; P755-K796 HydrophobicContact CG-CD 4.23Å; P755-K796 HydrophobicContact CG-CG 4.18Å; P755-L799 HydrophobicContact CB-CD1 3.94Å; P755-L799 HydrophobicContact CB-CG 4.26Å |
| 756 | H | 84.3 | Confident | 84.9 | Confident | 93 Ų | 93 | 37.5 Ų | 37.5 | 43% | 0.431 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -29.9 | 177.5 | -60.3 | -29.3 | 0 | 0 | 0 | 113.3 | L683 H754 L759 G760 E798 | L683-H756 WeakPolarHBondContact CD1-O 3.14Å; H754-H756 VanDerWaalsContact C-N 3.26Å; H754-H756 AromaticContact CE1-CD2 3.69Å; H754-H756 PolarHBondContact O-N 2.79Å; H754-H756 VanDerWaalsContact O-N 3.17Å; H756-L759 CarbonylContact O-C 3.29Å; H756-L759 PolarHBondContact O-N 3.44Å; H756-G760 PolarHBondContact O-N 2.96Å; H756-E798 IonicContact CE1-OE2 3.79Å |
| 757 | V | 86.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -47.8 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | R682 L683 A686 L749 D752 H754 P755 L759 G760 | R682-V757 HydrophobicContact CB-CG1 4.03Å; R682-V757 HydrophobicContact CB-CG2 4.01Å; L683-V757 HydrophobicContact CB-CG2 4.18Å; A686-V757 HydrophobicContact CB-CG1 4.08Å; L749-V757 HydrophobicContact CB-CG1 4.44Å; L749-V757 HydrophobicContact CD2-CG1 3.73Å; D752-V757 HydrophobicContact CB-CB 3.97Å; D752-V757 HydrophobicContact CB-CG1 4Å; D752-V757 WeakPolarHBondContact OD2-CG1 3.23Å; H754-V757 HydrophobicContact CB-CG2 4.11Å; H754-V757 PolarHBondContact O-N 3.43Å; P755-V757 VanDerWaalsContact C-N 3.31Å; P755-V757 PolarHBondContact O-N 3.31Å; V757-L759 VanDerWaalsContact C-N 3.28Å; V757-L759 PolarHBondContact O-N 2.74Å; V757-G760 PolarHBondContact O-N 3.03Å |
| 758 | R | 87.7 | Confident | 84.4 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 15% | 0.151 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.8 | -43.9 | 171.2 | -56.2 | -178.7 | -170.1 | 158.1 | 4.7 | 111.5 | L750 D752 P755 G760 L761 M762 F790 D793 L799 | L750-R758 WeakPolarHBondContact O-CG 3.3Å; D752-R758 HydrophobicContact CB-CG 4.37Å; D752-R758 PolarHBondContact O-NE 3.22Å; D752-R758 PolarHBondContact O-NH2 2.83Å; P755-R758 PolarHBondContact O-N 2.9Å; R758-G760 VanDerWaalsContact C-N 3.31Å; R758-G760 PolarHBondContact O-N 2.81Å; R758-L761 PolarHBondContact O-N 3.29Å; R758-M762 WeakPolarHBondContact O-CG 3.47Å; R758-M762 PolarHBondContact O-N 2.83Å; R758-F790 HydrophobicContact CB-CE1 3.97Å; R758-F790 HydrophobicContact CB-CZ 3.94Å; R758-F790 HydrophobicContact CG-CE1 4.08Å; R758-F790 HydrophobicContact CG-CZ 4.48Å; R758-D793 IonicContact CZ-OD2 2.7Å; R758-D793 IonicContact NH1-OD2 3.26Å; R758-D793 PolarHBondContact NH1-OD2 2.8Å; R758-L799 HydrophobicContact CB-CD2 3.72Å |
| 759 | L | 84.5 | Confident | 84.2 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -28 | 176.3 | -72.6 | 169.1 | 0 | 0 | 0 | 113.4 | P755 H756 V757 L761 M762 E798 L799 A802 | P755-L759 WeakPolarHBondContact O-CB 3.35Å; P755-L759 VanDerWaalsContact O-CG 3.28Å; P755-L759 WeakPolarHBondContact O-CG 3.19Å; P755-L759 PolarHBondContact O-N 2.98Å; H756-L759 CarbonylContact O-C 3.29Å; H756-L759 PolarHBondContact O-N 3.44Å; V757-L759 VanDerWaalsContact C-N 3.28Å; V757-L759 PolarHBondContact O-N 2.74Å; L759-L761 VanDerWaalsContact C-N 3.32Å; L759-L761 PolarHBondContact O-N 3.23Å; L759-M762 WeakPolarHBondContact O-CB 3.35Å; L759-M762 PolarHBondContact O-N 2.85Å; L759-E798 HydrophobicContact CD1-CB 4.16Å; L759-L799 HydrophobicContact CD2-CD2 3.88Å; L759-L799 HydrophobicContact CG-CD2 3.73Å; L759-A802 HydrophobicContact CD2-CB 3.46Å; L759-A802 VanDerWaalsContact CD2-CB 3.46Å |
| 760 | G | 82 | Confident | 84 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H756 V757 R758 N763 | H756-G760 PolarHBondContact O-N 2.96Å; V757-G760 PolarHBondContact O-N 3.03Å; R758-G760 VanDerWaalsContact C-N 3.31Å; R758-G760 PolarHBondContact O-N 2.81Å; G760-N763 PolarHBondContact O-ND2 2.82Å |
| 761 | L | 81.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.6 | -28.9 | 171.4 | -76.7 | 162.1 | 0 | 0 | 0 | 112.7 | A686 P690 L746 L749 L750 R758 L759 N763 L767 L770 | A686-L761 HydrophobicContact CB-CD1 4.43Å; A686-L761 HydrophobicContact CB-CG 3.91Å; A686-L761 WeakPolarHBondContact O-CD2 3.35Å; P690-L761 HydrophobicContact CG-CD2 4.4Å; L746-L761 HydrophobicContact CD1-CD1 3.7Å; L746-L761 HydrophobicContact CD1-CD2 3.73Å; L746-L761 HydrophobicContact CD1-CG 4.32Å; L749-L761 HydrophobicContact CB-CD1 3.63Å; L750-L761 HydrophobicContact CD2-CB 4.11Å; L750-L761 HydrophobicContact CD2-CD1 3.61Å; L750-L761 HydrophobicContact CD2-CG 4.5Å; L750-L761 HydrophobicContact CG-CD1 3.86Å; R758-L761 PolarHBondContact O-N 3.29Å; L759-L761 VanDerWaalsContact C-N 3.32Å; L759-L761 PolarHBondContact O-N 3.23Å; L761-N763 PolarHBondContact O-N 2.89Å; L761-L767 WeakPolarHBondContact O-CD2 3.45Å; L761-L767 WeakPolarHBondContact O-CG 3.21Å; L761-L770 HydrophobicContact CD2-CD1 4.07Å |
| 762 | M | 81.6 | Confident | 83.8 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | trans | -77 | 36.7 | -176.2 | -70.9 | -69.3 | -75.4 | 0 | 0 | 114.4 | R758 L759 L767 M787 F790 A802 Q806 | R758-M762 WeakPolarHBondContact O-CG 3.47Å; R758-M762 PolarHBondContact O-N 2.83Å; L759-M762 WeakPolarHBondContact O-CB 3.35Å; L759-M762 PolarHBondContact O-N 2.85Å; M762-L767 HydrophobicContact SD-CD1 3.95Å; M762-L767 HydrophobicContact SD-CD2 4.37Å; M762-M787 HydrophobicContact CE-CE 3.75Å; M762-M787 HydrophobicContact SD-CE 3.78Å; M762-M787 HydrophobicContact SD-CG 4.01Å; M762-M787 HydrophobicContact SD-SD 3.98Å; M762-F790 HydrophobicContact CE-CD2 4.24Å; M762-F790 HydrophobicContact CE-CE2 4.27Å; M762-F790 HydrophobicContact CG-CD2 4.38Å; M762-F790 HydrophobicContact CG-CE2 3.67Å; M762-F790 HydrophobicContact SD-CD2 4.24Å; M762-F790 HydrophobicContact SD-CE2 3.68Å; M762-A802 HydrophobicContact CB-CB 4.37Å; M762-A802 HydrophobicContact CE-CB 4.03Å; M762-A802 WeakPolarHBondContact CE-O 3.38Å; M762-Q806 HydrophobicContact CE-CB 3.96Å; M762-Q806 HydrophobicContact CE-CG 3.81Å; M762-Q806 PolarHBondContact O-NE2 3.09Å; M762-Q806 HydrophobicContact SD-CG 4.43Å | ||
| 763 | N | 81.5 | Confident | 83.7 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | trans | -99.6 | 141.5 | 171.2 | 77.3 | 76.8 | 0 | 0 | 0 | 110.3 | G760 L761 N765 G766 L767 | G760-N763 PolarHBondContact O-ND2 2.82Å; L761-N763 PolarHBondContact O-N 2.89Å; N763-N765 VanDerWaalsContact C-N 3.31Å; N763-N765 PolarHBondContact O-N 2.94Å; N763-G766 PolarHBondContact O-N 3.02Å; N763-G766 WeakPolarHBondContact OD1-CA 3.41Å; N763-G766 PolarHBondContact OD1-N 2.92Å; N763-L767 WeakPolarHBondContact O-CG 3.1Å; N763-L767 PolarHBondContact O-N 2.67Å | ||
| 764 | T | 77.7 | Confident | 83.7 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 36% | 0.356 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -35.5 | -166.5 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | S768 Q806 P809 | T764-S768 PolarHBondContact O-N 3.42Å; T764-S768 PolarHBondContact O-OG 3.5Å; T764-Q806 VanDerWaalsContact OG1-CD 3.29Å; T764-Q806 PolarHBondContact OG1-NE2 3.26Å; T764-Q806 PolarHBondContact OG1-OE1 3.34Å; T764-P809 HydrophobicContact CG2-CB 3.6Å; T764-P809 HydrophobicContact CG2-CG 3.66Å |
| 765 | N | 81.1 | Confident | 83.4 | Confident | 120 Ų | 120 | 32.5 Ų | 32.5 | 64% | 0.642 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -74.4 | -42.6 | -178.9 | -62.4 | 1 | 0 | 0 | 0 | 110.9 | N763 S768 C769 | N763-N765 VanDerWaalsContact C-N 3.31Å; N763-N765 PolarHBondContact O-N 2.94Å; N765-S768 WeakPolarHBondContact CA-OG 3.18Å; N765-S768 PolarHBondContact O-N 3.4Å; N765-S768 PolarHBondContact O-OG 2.93Å; N765-C769 PolarHBondContact O-N 3.41Å; N765-C769 PolarHBondContact O-SG 3.17Å |
| 766 | G | 82 | Confident | 83.1 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N763 S768 C769 L770 | N763-G766 PolarHBondContact O-N 3.02Å; N763-G766 WeakPolarHBondContact OD1-CA 3.41Å; N763-G766 PolarHBondContact OD1-N 2.92Å; G766-S768 VanDerWaalsContact C-N 3.3Å; G766-S768 PolarHBondContact O-N 3.07Å; G766-C769 PolarHBondContact O-N 3.35Å; G766-L770 WeakPolarHBondContact O-CG 3.47Å; G766-L770 PolarHBondContact O-N 2.88Å |
| 767 | L | 84.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 174 | -65 | 176.2 | 0 | 0 | 0 | 112.1 | L761 M762 N763 A771 L783 M787 Q806 L810 | L761-L767 WeakPolarHBondContact O-CD2 3.45Å; L761-L767 WeakPolarHBondContact O-CG 3.21Å; M762-L767 HydrophobicContact SD-CD1 3.95Å; M762-L767 HydrophobicContact SD-CD2 4.37Å; N763-L767 WeakPolarHBondContact O-CG 3.1Å; N763-L767 PolarHBondContact O-N 2.67Å; L767-A771 VanDerWaalsContact O-CB 3.25Å; L767-A771 WeakPolarHBondContact O-CB 3.44Å; L767-A771 PolarHBondContact O-N 2.8Å; L767-L783 HydrophobicContact CD2-CD1 3.84Å; L767-L783 HydrophobicContact CD2-CD2 4.08Å; L767-L783 HydrophobicContact CD2-CG 4.39Å; L767-M787 HydrophobicContact CD1-SD 4.39Å; L767-M787 HydrophobicContact CD2-SD 4.15Å; L767-Q806 HydrophobicContact CD1-CB 3.52Å; L767-Q806 HydrophobicContact CD1-CG 3.5Å; L767-L810 HydrophobicContact CB-CD2 4.27Å; L767-L810 HydrophobicContact CD1-CD1 4.41Å |
| 768 | S | 83.2 | Confident | 82 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.7 | -37.9 | 174.7 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | T764 N765 G766 A771 S772 | T764-S768 PolarHBondContact O-N 3.42Å; T764-S768 PolarHBondContact O-OG 3.5Å; N765-S768 WeakPolarHBondContact CA-OG 3.18Å; N765-S768 PolarHBondContact O-N 3.4Å; N765-S768 PolarHBondContact O-OG 2.93Å; G766-S768 VanDerWaalsContact C-N 3.3Å; G766-S768 PolarHBondContact O-N 3.07Å; S768-A771 PolarHBondContact O-N 3.25Å; S768-S772 WeakPolarHBondContact O-CB 3.31Å; S768-S772 PolarHBondContact O-N 3.13Å |
| 769 | C | 84.1 | Confident | 81.7 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -45.9 | 174 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | P690 T694 N765 G766 S772 F773 | P690-C769 HydrophobicContact CB-CB 4.11Å; T694-C769 WeakPolarHBondContact OG1-CB 3.2Å; N765-C769 PolarHBondContact O-N 3.41Å; N765-C769 PolarHBondContact O-SG 3.17Å; G766-C769 PolarHBondContact O-N 3.35Å; C769-S772 WeakPolarHBondContact O-CB 3.32Å; C769-S772 PolarHBondContact O-N 3.16Å; C769-F773 WeakPolarHBondContact O-CB 3.29Å; C769-F773 PolarHBondContact O-N 3.09Å |
| 770 | L | 86 | Confident | 81.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.1 | -68.2 | 173.5 | 0 | 0 | 0 | 111.6 | P690 A693 I742 L746 L761 G766 S772 F773 F774 | P690-L770 HydrophobicContact CB-CD2 4.43Å; P690-L770 HydrophobicContact CB-CG 4.11Å; P690-L770 HydrophobicContact CG-CD1 4.1Å; P690-L770 HydrophobicContact CG-CG 4.13Å; A693-L770 HydrophobicContact CB-CD2 4.26Å; I742-L770 HydrophobicContact CG2-CD2 4.48Å; L746-L770 HydrophobicContact CD1-CD1 3.85Å; L746-L770 HydrophobicContact CD2-CD1 4.31Å; L761-L770 HydrophobicContact CD2-CD1 4.07Å; G766-L770 WeakPolarHBondContact O-CG 3.47Å; G766-L770 PolarHBondContact O-N 2.88Å; L770-S772 VanDerWaalsContact C-N 3.29Å; L770-S772 PolarHBondContact O-N 2.88Å; L770-F773 PolarHBondContact O-N 2.97Å; L770-F774 HydrophobicContact CB-CD2 4.41Å; L770-F774 HydrophobicContact CD2-CE2 4.28Å; L770-F774 VanDerWaalsContact O-CD2 3.24Å; L770-F774 WeakPolarHBondContact O-CD2 3.24Å; L770-F774 PolarHBondContact O-N 2.79Å |
| 771 | A | 84.2 | Confident | 81 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L767 S768 G775 T779 L810 | L767-A771 VanDerWaalsContact O-CB 3.25Å; L767-A771 WeakPolarHBondContact O-CB 3.44Å; L767-A771 PolarHBondContact O-N 2.8Å; S768-A771 PolarHBondContact O-N 3.25Å; A771-G775 WeakPolarHBondContact O-CA 3.14Å; A771-G775 PolarHBondContact O-N 2.79Å; A771-G775 VanDerWaalsContact O-N 3.09Å; A771-T779 VanDerWaalsContact CA-OG1 3.27Å; A771-T779 WeakPolarHBondContact CA-OG1 3.44Å; A771-T779 HydrophobicContact CB-CG2 3.87Å; A771-T779 PolarHBondContact O-OG1 3.5Å; A771-L810 HydrophobicContact CB-CD2 4.38Å |
| 772 | S | 84.3 | Confident | 80.8 | Confident | 88 Ų | 88 | 44.2 Ų | 44.2 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | S768 C769 L770 G775 | S768-S772 WeakPolarHBondContact O-CB 3.31Å; S768-S772 PolarHBondContact O-N 3.13Å; C769-S772 WeakPolarHBondContact O-CB 3.32Å; C769-S772 PolarHBondContact O-N 3.16Å; L770-S772 VanDerWaalsContact C-N 3.29Å; L770-S772 PolarHBondContact O-N 2.88Å; S772-G775 PolarHBondContact O-N 3.26Å |
| 773 | F | 86.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | -178.6 | 178.2 | -100.8 | 0 | 0 | 0 | 113.8 | A693 L697 L735 L738 R739 I742 C769 L770 | A693-F773 HydrophobicContact CB-CB 4.38Å; A693-F773 HydrophobicContact CB-CD1 4.21Å; A693-F773 HydrophobicContact CB-CD2 4.19Å; A693-F773 HydrophobicContact CB-CG 3.99Å; L697-F773 HydrophobicContact CB-CD2 4.16Å; L697-F773 HydrophobicContact CB-CE2 4.46Å; L735-F773 HydrophobicContact CD1-CE2 4.16Å; L738-F773 HydrophobicContact CD2-CE2 3.75Å; L738-F773 HydrophobicContact CD2-CZ 3.84Å; L738-F773 HydrophobicContact CG-CE2 4.35Å; L738-F773 HydrophobicContact CG-CZ 3.95Å; R739-F773 HydrophobicContact CB-CE1 4.33Å; R739-F773 HydrophobicContact CG-CD1 4.38Å; R739-F773 HydrophobicContact CG-CE1 3.58Å; R739-F773 HydrophobicContact CG-CZ 3.68Å; R739-F773 PolarHBondContact NE-O 3.18Å; R739-F773 VanDerWaalsContact NE-O 3.11Å; R739-F773 PolarHBondContact NH2-O 2.91Å; I742-F773 HydrophobicContact CB-CE1 4.04Å; I742-F773 HydrophobicContact CD1-CE1 3.85Å; I742-F773 HydrophobicContact CD1-CE2 4.32Å; I742-F773 HydrophobicContact CD1-CZ 3.67Å; I742-F773 HydrophobicContact CG2-CD1 4.36Å; I742-F773 HydrophobicContact CG2-CE1 4.01Å; C769-F773 WeakPolarHBondContact O-CB 3.29Å; C769-F773 PolarHBondContact O-N 3.09Å; L770-F773 PolarHBondContact O-N 2.97Å |
| 774 | F | 85.7 | Confident | 80.8 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80 | -15.9 | 177.4 | -72.5 | -64.8 | 0 | 0 | 0 | 114 | R739 I742 Q743 L746 L770 | R739-F774 HydrophobicContact CG-CD1 4.5Å; I742-F774 HydrophobicContact CG2-CE2 4.44Å; I742-F774 HydrophobicContact CG2-CZ 4Å; Q743-F774 HydrophobicContact CB-CE1 4.01Å; Q743-F774 HydrophobicContact CB-CZ 4.15Å; L746-F774 HydrophobicContact CD2-CE2 3.66Å; L746-F774 HydrophobicContact CD2-CZ 4.17Å; L770-F774 HydrophobicContact CB-CD2 4.41Å; L770-F774 HydrophobicContact CD2-CE2 4.28Å; L770-F774 VanDerWaalsContact O-CD2 3.24Å; L770-F774 WeakPolarHBondContact O-CD2 3.24Å; L770-F774 PolarHBondContact O-N 2.79Å |
| 775 | G | 80.7 | Confident | 81.1 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | 67 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A771 S772 S777 T779 | A771-G775 WeakPolarHBondContact O-CA 3.14Å; A771-G775 PolarHBondContact O-N 2.79Å; A771-G775 VanDerWaalsContact O-N 3.09Å; S772-G775 PolarHBondContact O-N 3.26Å; G775-S777 PolarHBondContact O-N 2.72Å; G775-T779 VanDerWaalsContact O-CB 3.31Å; G775-T779 WeakPolarHBondContact O-CB 3.43Å; G775-T779 PolarHBondContact O-N 2.86Å; G775-T779 PolarHBondContact O-OG1 2.71Å |
| 776 | R | 75.9 | Confident | 81.2 | Confident | 200 Ų | 200 | 37.8 Ų | 37.8 | 76% | 0.755 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.2 | -42.7 | -170.7 | -56.2 | -174.9 | -165.4 | 172.8 | 6.3 | 113.3 | N780 | R776-N780 PolarHBondContact O-N 2.87Å |
| 777 | S | 71.4 | Confident | 81.3 | Confident | 103 Ų | 103 | 37.6 Ų | 37.6 | 72% | 0.72 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.2 | -50.8 | 178.3 | 45 | 0 | 0 | 0 | 0 | 111.6 | G775 T779 N780 G781 | G775-S777 PolarHBondContact O-N 2.72Å; S777-T779 PolarHBondContact O-N 3.46Å; S777-N780 PolarHBondContact O-N 3.42Å; S777-G781 PolarHBondContact O-N 2.82Å; S777-G781 VanDerWaalsContact O-N 3.12Å |
| 778 | G | 77 | Confident | 81.3 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N780 G781 T782 | G778-N780 VanDerWaalsContact C-N 3.28Å; G778-N780 PolarHBondContact O-N 2.97Å; G778-G781 PolarHBondContact O-N 2.79Å; G778-G781 VanDerWaalsContact O-N 3.09Å; G778-T782 PolarHBondContact O-N 2.82Å; G778-T782 PolarHBondContact O-OG1 2.61Å |
| 779 | T | 79.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -55.7 | -40.4 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | A771 G775 S777 L783 L784 T814 | A771-T779 VanDerWaalsContact CA-OG1 3.27Å; A771-T779 WeakPolarHBondContact CA-OG1 3.44Å; A771-T779 HydrophobicContact CB-CG2 3.87Å; A771-T779 PolarHBondContact O-OG1 3.5Å; G775-T779 VanDerWaalsContact O-CB 3.31Å; G775-T779 WeakPolarHBondContact O-CB 3.43Å; G775-T779 PolarHBondContact O-N 2.86Å; G775-T779 PolarHBondContact O-OG1 2.71Å; S777-T779 PolarHBondContact O-N 3.46Å; T779-L783 HydrophobicContact CG2-CB 4.37Å; T779-L783 HydrophobicContact CG2-CD2 4.26Å; T779-L783 WeakPolarHBondContact O-CB 3.48Å; T779-L783 PolarHBondContact O-N 2.73Å; T779-L784 PolarHBondContact O-N 2.83Å; T779-T814 HydrophobicContact CG2-CG2 3.78Å |
| 780 | N | 77.2 | Confident | 81.4 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 34% | 0.342 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -74.6 | -36.7 | 177.7 | -70.4 | -13.2 | 0 | 0 | 0 | 112.1 | R776 S777 G778 | R776-N780 PolarHBondContact O-N 2.87Å; S777-N780 PolarHBondContact O-N 3.42Å; G778-N780 VanDerWaalsContact C-N 3.28Å; G778-N780 PolarHBondContact O-N 2.97Å |
| 781 | G | 75.5 | Confident | 81.4 | Confident | 51 Ų | 51 | 39.9 Ų | 39.9 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -76.9 | -36.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S777 G778 S785 | S777-G781 PolarHBondContact O-N 2.82Å; S777-G781 VanDerWaalsContact O-N 3.12Å; G778-G781 PolarHBondContact O-N 2.79Å; G778-G781 VanDerWaalsContact O-N 3.09Å; G781-S785 WeakPolarHBondContact O-CB 3.39Å; G781-S785 PolarHBondContact O-OG 2.8Å |
| 782 | T | 77.4 | Confident | 81.4 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -107.8 | -57.8 | -174.6 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | Q743 G778 S785 H786 | Q743-T782 VanDerWaalsContact CD-CG2 3.49Å; Q743-T782 HydrophobicContact CG-CG2 4Å; G778-T782 PolarHBondContact O-N 2.82Å; G778-T782 PolarHBondContact O-OG1 2.61Å; T782-S785 PolarHBondContact O-OG 3.08Å; T782-H786 PolarHBondContact O-CD2 2.82Å; T782-H786 PolarHBondContact O-N 2.88Å |
| 783 | L | 82.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -71.7 | -48.9 | -171.1 | -171.7 | 65.5 | 0 | 0 | 0 | 111.6 | L746 L750 L767 T779 M787 L810 | L746-L783 HydrophobicContact CD2-CD1 4.25Å; L750-L783 HydrophobicContact CD1-CD1 4.37Å; L767-L783 HydrophobicContact CD2-CD1 3.84Å; L767-L783 HydrophobicContact CD2-CD2 4.08Å; L767-L783 HydrophobicContact CD2-CG 4.39Å; T779-L783 HydrophobicContact CG2-CB 4.37Å; T779-L783 HydrophobicContact CG2-CD2 4.26Å; T779-L783 WeakPolarHBondContact O-CB 3.48Å; T779-L783 PolarHBondContact O-N 2.73Å; L783-M787 HydrophobicContact CD1-SD 4.25Å; L783-M787 HydrophobicContact CD2-SD 4.46Å; L783-M787 HydrophobicContact CG-SD 3.91Å; L783-M787 VanDerWaalsContact O-CB 3.29Å; L783-M787 WeakPolarHBondContact O-CB 3.47Å; L783-M787 VanDerWaalsContact O-CG 3.23Å; L783-M787 WeakPolarHBondContact O-CG 3.39Å; L783-M787 PolarHBondContact O-N 2.86Å; L783-L810 HydrophobicContact CD2-CD2 4.05Å |
| 784 | L | 81.3 | Confident | 80.9 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -65.8 | -45.3 | -178.9 | 178.8 | 62.1 | 0 | 0 | 0 | 112.1 | T779 H786 M787 I788 F818 L822 | T779-L784 PolarHBondContact O-N 2.83Å; L784-H786 VanDerWaalsContact C-N 3.34Å; L784-H786 PolarHBondContact O-N 2.9Å; L784-M787 PolarHBondContact O-N 3.1Å; L784-I788 HydrophobicContact CD1-CD1 3.93Å; L784-I788 HydrophobicContact CD1-CG1 3.97Å; L784-I788 HydrophobicContact CD2-CD1 4.48Å; L784-I788 HydrophobicContact CG-CD1 3.82Å; L784-I788 HydrophobicContact CG-CG1 4.31Å; L784-I788 VanDerWaalsContact O-CG1 3.24Å; L784-I788 WeakPolarHBondContact O-CG1 3.46Å; L784-I788 PolarHBondContact O-N 3.24Å; L784-F818 HydrophobicContact CB-CE2 4.38Å; L784-F818 HydrophobicContact CD1-CE2 3.88Å; L784-F818 HydrophobicContact CD1-CZ 4.01Å; L784-F818 HydrophobicContact CD2-CD2 4.09Å; L784-F818 HydrophobicContact CD2-CE2 3.8Å; L784-F818 HydrophobicContact CG-CE2 4.23Å; L784-L822 HydrophobicContact CD1-CD2 4.1Å |
| 785 | S | 83.1 | Confident | 80.4 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | G781 T782 | G781-S785 WeakPolarHBondContact O-CB 3.39Å; G781-S785 PolarHBondContact O-OG 2.8Å; T782-S785 PolarHBondContact O-OG 3.08Å |
| 786 | H | 82.5 | Confident | 80.5 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.1 | -38.2 | 175.6 | -71 | -63.5 | 0 | 0 | 0 | 113 | V747 L750 T782 L784 I788 T789 | V747-H786 WeakPolarHBondContact CG2-NE2 3.31Å; L750-H786 HydrophobicContact CB-CB 4.06Å; L750-H786 HydrophobicContact CD1-CB 3.53Å; L750-H786 HydrophobicContact CG-CB 4.42Å; T782-H786 PolarHBondContact O-CD2 2.82Å; T782-H786 PolarHBondContact O-N 2.88Å; L784-H786 VanDerWaalsContact C-N 3.34Å; L784-H786 PolarHBondContact O-N 2.9Å; H786-I788 VanDerWaalsContact C-N 3.28Å; H786-I788 PolarHBondContact O-N 3.47Å; H786-T789 WeakPolarHBondContact O-CB 3.27Å; H786-T789 PolarHBondContact O-N 2.9Å; H786-T789 VanDerWaalsContact O-N 3.08Å; H786-T789 PolarHBondContact O-OG1 3.42Å |
| 787 | M | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 175.1 | -81.5 | -178.1 | 56 | 0 | 0 | 113.2 | M762 L767 L783 L784 T789 F790 F803 Q806 L810 | M762-M787 HydrophobicContact CE-CE 3.75Å; M762-M787 HydrophobicContact SD-CE 3.78Å; M762-M787 HydrophobicContact SD-CG 4.01Å; M762-M787 HydrophobicContact SD-SD 3.98Å; L767-M787 HydrophobicContact CD1-SD 4.39Å; L767-M787 HydrophobicContact CD2-SD 4.15Å; L783-M787 HydrophobicContact CD1-SD 4.25Å; L783-M787 HydrophobicContact CD2-SD 4.46Å; L783-M787 HydrophobicContact CG-SD 3.91Å; L783-M787 VanDerWaalsContact O-CB 3.29Å; L783-M787 WeakPolarHBondContact O-CB 3.47Å; L783-M787 VanDerWaalsContact O-CG 3.23Å; L783-M787 WeakPolarHBondContact O-CG 3.39Å; L783-M787 PolarHBondContact O-N 2.86Å; L784-M787 PolarHBondContact O-N 3.1Å; M787-T789 PolarHBondContact O-N 2.87Å; M787-F790 HydrophobicContact CG-CE2 4.2Å; M787-F790 WeakPolarHBondContact O-CB 3.26Å; M787-F790 WeakPolarHBondContact O-CD2 3.47Å; M787-F790 WeakPolarHBondContact O-CG 3.43Å; M787-F790 PolarHBondContact O-N 2.88Å; M787-F803 HydrophobicContact CB-CD2 4.24Å; M787-F803 HydrophobicContact CB-CE2 4.36Å; M787-F803 HydrophobicContact CE-CD2 4.26Å; M787-F803 WeakPolarHBondContact O-CD2 3.35Å; M787-Q806 HydrophobicContact CE-CB 4.24Å; M787-L810 HydrophobicContact CE-CD1 3.52Å; M787-L810 HydrophobicContact SD-CD1 3.57Å; M787-L810 VanDerWaalsContact SD-CD1 3.57Å |
| 788 | I | 84.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -31.1 | 176.7 | -70.5 | 169.3 | 0 | 0 | 0 | 111.3 | L784 H786 F790 L791 F803 L825 | L784-I788 HydrophobicContact CD1-CD1 3.93Å; L784-I788 HydrophobicContact CD1-CG1 3.97Å; L784-I788 HydrophobicContact CD2-CD1 4.48Å; L784-I788 HydrophobicContact CG-CD1 3.82Å; L784-I788 HydrophobicContact CG-CG1 4.31Å; L784-I788 VanDerWaalsContact O-CG1 3.24Å; L784-I788 WeakPolarHBondContact O-CG1 3.46Å; L784-I788 PolarHBondContact O-N 3.24Å; H786-I788 VanDerWaalsContact C-N 3.28Å; H786-I788 PolarHBondContact O-N 3.47Å; I788-F790 PolarHBondContact O-N 3.2Å; I788-F790 VanDerWaalsContact O-N 3.13Å; I788-L791 PolarHBondContact O-N 2.68Å; I788-L791 VanDerWaalsContact O-N 3.13Å; I788-F803 HydrophobicContact CG1-CE2 4.11Å; I788-F803 HydrophobicContact CG1-CZ 4.42Å; I788-L825 HydrophobicContact CB-CD1 4.41Å; I788-L825 HydrophobicContact CD1-CD1 3.88Å; I788-L825 HydrophobicContact CG1-CD1 3.61Å; I788-L825 HydrophobicContact CG2-CD1 4.05Å; I788-L825 HydrophobicContact CG2-CD2 4.49Å |
| 789 | T | 84.2 | Confident | 82.1 | Confident | 63 Ų | 63 | 48 Ų | 48 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -65.1 | -19.1 | -179.5 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | H786 M787 L791 N792 | H786-T789 WeakPolarHBondContact O-CB 3.27Å; H786-T789 PolarHBondContact O-N 2.9Å; H786-T789 VanDerWaalsContact O-N 3.08Å; H786-T789 PolarHBondContact O-OG1 3.42Å; M787-T789 PolarHBondContact O-N 2.87Å; T789-L791 PolarHBondContact O-N 3.37Å; T789-N792 WeakPolarHBondContact O-CB 3.3Å; T789-N792 PolarHBondContact O-N 2.76Å |
| 790 | F | 84.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -62.9 | -28 | 174.8 | -61 | -18.7 | 0 | 0 | 0 | 113.3 | L750 R758 M762 M787 I788 N792 D793 L799 R800 | L750-F790 HydrophobicContact CB-CZ 4.43Å; L750-F790 HydrophobicContact CD2-CE2 4.35Å; L750-F790 HydrophobicContact CD2-CZ 3.68Å; L750-F790 WeakPolarHBondContact O-CE1 3.49Å; R758-F790 HydrophobicContact CB-CE1 3.97Å; R758-F790 HydrophobicContact CB-CZ 3.94Å; R758-F790 HydrophobicContact CG-CE1 4.08Å; R758-F790 HydrophobicContact CG-CZ 4.48Å; M762-F790 HydrophobicContact CE-CD2 4.24Å; M762-F790 HydrophobicContact CE-CE2 4.27Å; M762-F790 HydrophobicContact CG-CD2 4.38Å; M762-F790 HydrophobicContact CG-CE2 3.67Å; M762-F790 HydrophobicContact SD-CD2 4.24Å; M762-F790 HydrophobicContact SD-CE2 3.68Å; M787-F790 HydrophobicContact CG-CE2 4.2Å; M787-F790 WeakPolarHBondContact O-CB 3.26Å; M787-F790 WeakPolarHBondContact O-CD2 3.47Å; M787-F790 WeakPolarHBondContact O-CG 3.43Å; M787-F790 PolarHBondContact O-N 2.88Å; I788-F790 PolarHBondContact O-N 3.2Å; I788-F790 VanDerWaalsContact O-N 3.13Å; F790-N792 PolarHBondContact O-N 2.86Å; F790-D793 PolarHBondContact O-N 3.21Å; F790-L799 HydrophobicContact CB-CB 4.35Å; F790-R800 WeakPolarHBondContact O-CG 3.47Å |
| 791 | L | 84.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -68.7 | -22.3 | 175.4 | -64 | 174.6 | 0 | 0 | 0 | 112.7 | I788 T789 D793 R800 F803 F804 L825 | I788-L791 PolarHBondContact O-N 2.68Å; I788-L791 VanDerWaalsContact O-N 3.13Å; T789-L791 PolarHBondContact O-N 3.37Å; L791-D793 VanDerWaalsContact C-N 3.3Å; L791-R800 HydrophobicContact CD2-CB 4.28Å; L791-R800 WeakPolarHBondContact O-CD 3.47Å; L791-F803 HydrophobicContact CD1-CD1 4Å; L791-F803 HydrophobicContact CD1-CE1 3.75Å; L791-F803 HydrophobicContact CD1-CZ 4.05Å; L791-F803 HydrophobicContact CD2-CB 4.34Å; L791-F803 HydrophobicContact CD2-CD1 3.78Å; L791-F803 HydrophobicContact CD2-CE1 4.36Å; L791-F803 HydrophobicContact CD2-CG 4.14Å; L791-F803 HydrophobicContact CG-CD1 4.05Å; L791-F803 HydrophobicContact CG-CE1 4.31Å; L791-F803 HydrophobicContact CG-CG 4.22Å; L791-F804 HydrophobicContact CD2-CE2 3.68Å; L791-F804 HydrophobicContact CD2-CZ 3.66Å; L791-L825 HydrophobicContact CD1-CB 3.81Å; L791-L825 HydrophobicContact CD1-CD1 4.07Å; L791-L825 HydrophobicContact CD1-CD2 3.92Å; L791-L825 HydrophobicContact CD1-CG 4.14Å |
| 792 | N | 84.2 | Confident | 83.7 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 67% | 0.674 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -77.2 | -15.2 | 175.4 | -61.1 | -33.8 | 0 | 0 | 0 | 112.7 | T789 F790 K794 | T789-N792 WeakPolarHBondContact O-CB 3.3Å; T789-N792 PolarHBondContact O-N 2.76Å; F790-N792 PolarHBondContact O-N 2.86Å; N792-K794 PolarHBondContact O-N 3.01Å |
| 793 | D | 81.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | trans | -75.7 | 88.5 | 177.1 | -163.3 | -44.3 | 0 | 0 | 0 | 110.4 | R758 F790 L791 C795 K796 L799 R800 | R758-D793 IonicContact CZ-OD2 2.7Å; R758-D793 IonicContact NH1-OD2 3.26Å; R758-D793 PolarHBondContact NH1-OD2 2.8Å; F790-D793 PolarHBondContact O-N 3.21Å; L791-D793 VanDerWaalsContact C-N 3.3Å; D793-C795 PolarHBondContact O-N 3.33Å; D793-C795 PolarHBondContact OD1-N 3.41Å; D793-C795 VanDerWaalsContact OD1-N 3.08Å; D793-K796 PolarHBondContact OD1-N 2.92Å; D793-L799 HydrophobicContact CB-CD1 4.19Å; D793-R800 WeakPolarHBondContact O-CD 3.36Å; D793-R800 PolarHBondContact O-NH1 2.71Å | ||
| 794 | K | 80.1 | Confident | 84.7 | Confident | 186 Ų | 186 | 42.5 Ų | 42.5 | 81% | 0.809 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.5 | 178.2 | -68.3 | -177.9 | 179.1 | 179.2 | 0 | 112.8 | N792 R800 | N792-K794 PolarHBondContact O-N 3.01Å; K794-R800 VanDerWaalsContact C-NH1 3.25Å; K794-R800 PolarHBondContact O-NH1 2.73Å |
| 795 | C | 75.4 | Confident | 85.1 | Confident | 107 Ų | 107 | 47.1 Ų | 47.1 | 72% | 0.723 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.8 | -170.4 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | D793 | D793-C795 PolarHBondContact O-N 3.33Å; D793-C795 PolarHBondContact OD1-N 3.41Å; D793-C795 VanDerWaalsContact OD1-N 3.08Å |
| 796 | K | 82.6 | Confident | 85.3 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | trans | -125.9 | 90.6 | -177 | -69.4 | -66.4 | 178.3 | -179.3 | 0 | 112.7 | P755 D793 E798 L799 | P755-K796 HydrophobicContact CB-CD 4.49Å; P755-K796 HydrophobicContact CB-CG 4.08Å; P755-K796 HydrophobicContact CG-CD 4.23Å; P755-K796 HydrophobicContact CG-CG 4.18Å; D793-K796 PolarHBondContact OD1-N 2.92Å; K796-E798 PolarHBondContact O-N 3.33Å; K796-L799 HydrophobicContact CB-CD1 4.05Å; K796-L799 HydrophobicContact CB-CG 4.31Å; K796-L799 PolarHBondContact O-N 3.32Å; K796-L799 VanDerWaalsContact O-N 3.08Å | ||
| 797 | P | 86.1 | Confident | 85.5 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -24.2 | 178.6 | 27.9 | -36.1 | 0 | 0 | 0 | 112.7 | L799 R800 A801 D834 M836 V837 | P797-L799 VanDerWaalsContact C-N 3.27Å; P797-L799 PolarHBondContact O-N 2.92Å; P797-R800 PolarHBondContact O-N 3.31Å; P797-A801 VanDerWaalsContact O-CB 3.31Å; P797-A801 WeakPolarHBondContact O-CB 3.37Å; P797-A801 PolarHBondContact O-N 3.37Å; P797-D834 HydrophobicContact CB-CB 3.72Å; P797-D834 WeakPolarHBondContact CB-OD1 3.11Å; P797-D834 HydrophobicContact CG-CB 4.46Å; P797-D834 WeakPolarHBondContact CG-OD2 3.29Å; P797-M836 HydrophobicContact CB-CE 3.93Å; P797-M836 HydrophobicContact CG-CE 4.08Å; P797-V837 HydrophobicContact CB-CG2 3.67Å |
| 798 | E | 85.5 | Confident | 85.4 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.5 | -41.3 | 171.7 | -65.7 | 164 | -156.6 | 0 | 0 | 112.7 | H756 L759 K796 A802 M836 | H756-E798 IonicContact CE1-OE2 3.79Å; L759-E798 HydrophobicContact CD1-CB 4.16Å; K796-E798 PolarHBondContact O-N 3.33Å; E798-A802 WeakPolarHBondContact O-CB 3.43Å; E798-A802 PolarHBondContact O-N 3.16Å; E798-M836 HydrophobicContact CG-CE 4.09Å |
| 799 | L | 85.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.8 | -44.6 | 178.1 | -74.4 | 172.5 | 0 | 0 | 0 | 111.6 | P755 R758 L759 F790 D793 K796 P797 A802 F803 | P755-L799 HydrophobicContact CB-CD1 3.94Å; P755-L799 HydrophobicContact CB-CG 4.26Å; R758-L799 HydrophobicContact CB-CD2 3.72Å; L759-L799 HydrophobicContact CD2-CD2 3.88Å; L759-L799 HydrophobicContact CG-CD2 3.73Å; F790-L799 HydrophobicContact CB-CB 4.35Å; D793-L799 HydrophobicContact CB-CD1 4.19Å; K796-L799 HydrophobicContact CB-CD1 4.05Å; K796-L799 HydrophobicContact CB-CG 4.31Å; K796-L799 PolarHBondContact O-N 3.32Å; K796-L799 VanDerWaalsContact O-N 3.08Å; P797-L799 VanDerWaalsContact C-N 3.27Å; P797-L799 PolarHBondContact O-N 2.92Å; L799-A802 PolarHBondContact O-N 3.28Å; L799-F803 PolarHBondContact O-N 3.2Å |
| 800 | R | 89.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 179.1 | -53.6 | -159.6 | -57.4 | -87.8 | 4.4 | 111.1 | F790 L791 D793 K794 P797 F803 F804 D832 V837 | F790-R800 WeakPolarHBondContact O-CG 3.47Å; L791-R800 HydrophobicContact CD2-CB 4.28Å; L791-R800 WeakPolarHBondContact O-CD 3.47Å; D793-R800 WeakPolarHBondContact O-CD 3.36Å; D793-R800 PolarHBondContact O-NH1 2.71Å; K794-R800 VanDerWaalsContact C-NH1 3.25Å; K794-R800 PolarHBondContact O-NH1 2.73Å; P797-R800 PolarHBondContact O-N 3.31Å; R800-F803 WeakPolarHBondContact O-CB 3.48Å; R800-F803 PolarHBondContact O-N 2.77Å; R800-F804 WeakPolarHBondContact O-CD2 3.24Å; R800-F804 PolarHBondContact O-N 3.43Å; R800-D832 IonicContact CZ-OD1 3.81Å; R800-D832 IonicContact CZ-OD2 2.81Å; R800-D832 IonicContact NE-OD1 3.95Å; R800-D832 IonicContact NE-OD2 2.81Å; R800-D832 PolarHBondContact NE-OD2 2.6Å; R800-D832 IonicContact NH2-OD1 2.77Å; R800-D832 PolarHBondContact NH2-OD1 3.11Å; R800-D832 IonicContact NH2-OD2 2.7Å; R800-D832 PolarHBondContact NH2-OD2 2.81Å; R800-V837 HydrophobicContact CB-CG1 3.82Å; R800-V837 HydrophobicContact CB-CG2 3.81Å |
| 801 | A | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P797 F803 F804 R805 M836 V837 E840 | P797-A801 VanDerWaalsContact O-CB 3.31Å; P797-A801 WeakPolarHBondContact O-CB 3.37Å; P797-A801 PolarHBondContact O-N 3.37Å; A801-F803 VanDerWaalsContact C-N 3.27Å; A801-F803 PolarHBondContact O-N 3.16Å; A801-F804 PolarHBondContact O-N 2.94Å; A801-F804 VanDerWaalsContact O-N 3.13Å; A801-R805 PolarHBondContact O-N 3.44Å; A801-M836 HydrophobicContact CB-CE 4.3Å; A801-M836 HydrophobicContact CB-CG 4.17Å; A801-V837 HydrophobicContact CB-CG2 4.5Å; A801-E840 HydrophobicContact CB-CB 4.02Å; A801-E840 HydrophobicContact CB-CG 4.26Å; A801-E840 VanDerWaalsContact O-CG 3.3Å; A801-E840 WeakPolarHBondContact O-CG 3.34Å |
| 802 | A | 88.6 | Confident | 84.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L759 M762 E798 L799 R805 Q806 | L759-A802 HydrophobicContact CD2-CB 3.46Å; L759-A802 VanDerWaalsContact CD2-CB 3.46Å; M762-A802 HydrophobicContact CB-CB 4.37Å; M762-A802 HydrophobicContact CE-CB 4.03Å; M762-A802 WeakPolarHBondContact CE-O 3.38Å; E798-A802 WeakPolarHBondContact O-CB 3.43Å; E798-A802 PolarHBondContact O-N 3.16Å; L799-A802 PolarHBondContact O-N 3.28Å; A802-R805 PolarHBondContact O-N 3.45Å; A802-Q806 WeakPolarHBondContact O-CG 3.27Å; A802-Q806 PolarHBondContact O-N 2.92Å |
| 803 | F | 89.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.4 | -57.3 | 170.9 | 175 | -91.5 | 0 | 0 | 0 | 111.3 | M787 I788 L791 L799 R800 A801 R805 Q806 V807 L822 L825 | M787-F803 HydrophobicContact CB-CD2 4.24Å; M787-F803 HydrophobicContact CB-CE2 4.36Å; M787-F803 HydrophobicContact CE-CD2 4.26Å; M787-F803 WeakPolarHBondContact O-CD2 3.35Å; I788-F803 HydrophobicContact CG1-CE2 4.11Å; I788-F803 HydrophobicContact CG1-CZ 4.42Å; L791-F803 HydrophobicContact CD1-CD1 4Å; L791-F803 HydrophobicContact CD1-CE1 3.75Å; L791-F803 HydrophobicContact CD1-CZ 4.05Å; L791-F803 HydrophobicContact CD2-CB 4.34Å; L791-F803 HydrophobicContact CD2-CD1 3.78Å; L791-F803 HydrophobicContact CD2-CE1 4.36Å; L791-F803 HydrophobicContact CD2-CG 4.14Å; L791-F803 HydrophobicContact CG-CD1 4.05Å; L791-F803 HydrophobicContact CG-CE1 4.31Å; L791-F803 HydrophobicContact CG-CG 4.22Å; L799-F803 PolarHBondContact O-N 3.2Å; R800-F803 WeakPolarHBondContact O-CB 3.48Å; R800-F803 PolarHBondContact O-N 2.77Å; A801-F803 VanDerWaalsContact C-N 3.27Å; A801-F803 PolarHBondContact O-N 3.16Å; F803-R805 VanDerWaalsContact C-N 3.28Å; F803-R805 PolarHBondContact O-N 3.46Å; F803-Q806 PolarHBondContact O-N 3.44Å; F803-Q806 VanDerWaalsContact O-N 3.14Å; F803-V807 HydrophobicContact CD1-CG2 4.08Å; F803-V807 HydrophobicContact CE1-CG2 3.67Å; F803-V807 HydrophobicContact CE2-CG2 4.35Å; F803-V807 HydrophobicContact CZ-CG2 3.82Å; F803-V807 WeakPolarHBondContact O-CG2 3.29Å; F803-V807 PolarHBondContact O-N 3.13Å; F803-L822 HydrophobicContact CZ-CD2 3.79Å; F803-L825 HydrophobicContact CE1-CB 4.27Å; F803-L825 HydrophobicContact CE1-CD1 4.42Å; F803-L825 HydrophobicContact CZ-CB 4.42Å; F803-L825 HydrophobicContact CZ-CD1 3.77Å |
| 804 | F | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | -179.6 | -65.4 | -62 | 0 | 0 | 0 | 112.9 | L791 R800 A801 Q806 L825 L826 V837 E840 C841 C844 | L791-F804 HydrophobicContact CD2-CE2 3.68Å; L791-F804 HydrophobicContact CD2-CZ 3.66Å; R800-F804 WeakPolarHBondContact O-CD2 3.24Å; R800-F804 PolarHBondContact O-N 3.43Å; A801-F804 PolarHBondContact O-N 2.94Å; A801-F804 VanDerWaalsContact O-N 3.13Å; F804-Q806 PolarHBondContact O-N 3.14Å; F804-L825 WeakPolarHBondContact CE1-O 3.29Å; F804-L825 WeakPolarHBondContact CZ-O 3.46Å; F804-L826 HydrophobicContact CD1-CD2 3.96Å; F804-L826 HydrophobicContact CE1-CD2 4.16Å; F804-V837 HydrophobicContact CD2-CG1 3.84Å; F804-V837 HydrophobicContact CE2-CG1 3.61Å; F804-E840 HydrophobicContact CB-CG 4.21Å; F804-C841 HydrophobicContact CD1-CB 4.31Å; F804-C841 HydrophobicContact CD2-CB 4.12Å; F804-C841 HydrophobicContact CE2-CB 4.46Å; F804-C841 HydrophobicContact CG-CB 4.06Å; F804-C844 HydrophobicContact CB-CB 4.12Å; F804-C844 WeakPolarHBondContact O-CB 3.4Å; F804-C844 PolarHBondContact O-SG 3.02Å |
| 805 | R | 88.9 | Confident | 83.8 | Confident | 107 Ų | 107 | 32.2 Ų | 32.2 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.5 | -41 | 175.5 | -163.9 | 171.8 | -60.4 | 122.3 | 4.3 | 112.7 | A801 A802 F803 P809 E840 | A801-R805 PolarHBondContact O-N 3.44Å; A802-R805 PolarHBondContact O-N 3.45Å; F803-R805 VanDerWaalsContact C-N 3.28Å; F803-R805 PolarHBondContact O-N 3.46Å; R805-P809 VanDerWaalsContact O-CD 3.27Å; R805-P809 WeakPolarHBondContact O-CD 3.36Å; R805-E840 HydrophobicContact CB-CG 3.97Å; R805-E840 WeakPolarHBondContact CB-OE1 3.39Å; R805-E840 WeakPolarHBondContact CG-OE1 3.32Å; R805-E840 IonicContact CZ-OE2 2.8Å; R805-E840 VanDerWaalsContact NE-CD 3.27Å; R805-E840 IonicContact NE-OE1 3.03Å; R805-E840 IonicContact NE-OE2 3.75Å; R805-E840 PolarHBondContact NE-OE2 3.41Å; R805-E840 IonicContact NH2-OE2 3.26Å; R805-E840 PolarHBondContact NH2-OE2 3.46Å |
| 806 | Q | 87.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -90.1 | -14.7 | -176.7 | -59.1 | -58.8 | -5.2 | 0 | 0 | 114.6 | M762 T764 L767 M787 A802 F803 F804 S808 P809 L810 | M762-Q806 HydrophobicContact CE-CB 3.96Å; M762-Q806 HydrophobicContact CE-CG 3.81Å; M762-Q806 PolarHBondContact O-NE2 3.09Å; M762-Q806 HydrophobicContact SD-CG 4.43Å; T764-Q806 VanDerWaalsContact OG1-CD 3.29Å; T764-Q806 PolarHBondContact OG1-NE2 3.26Å; T764-Q806 PolarHBondContact OG1-OE1 3.34Å; L767-Q806 HydrophobicContact CD1-CB 3.52Å; L767-Q806 HydrophobicContact CD1-CG 3.5Å; M787-Q806 HydrophobicContact CE-CB 4.24Å; A802-Q806 WeakPolarHBondContact O-CG 3.27Å; A802-Q806 PolarHBondContact O-N 2.92Å; F803-Q806 PolarHBondContact O-N 3.44Å; F803-Q806 VanDerWaalsContact O-N 3.14Å; F804-Q806 PolarHBondContact O-N 3.14Å; Q806-S808 VanDerWaalsContact C-N 3.34Å; Q806-S808 PolarHBondContact O-N 3.34Å; Q806-P809 WeakPolarHBondContact O-CD 3.49Å; Q806-L810 WeakPolarHBondContact O-CB 3.15Å; Q806-L810 WeakPolarHBondContact O-CG 3.49Å; Q806-L810 PolarHBondContact O-N 3.33Å; Q806-L810 VanDerWaalsContact O-N 3.08Å |
| 807 | V | 86.8 | Confident | 83 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.9 | -46.4 | 171 | 153.2 | 0 | 0 | 0 | 0 | 112.3 | F803 L810 A811 L822 C844 L848 | F803-V807 HydrophobicContact CD1-CG2 4.08Å; F803-V807 HydrophobicContact CE1-CG2 3.67Å; F803-V807 HydrophobicContact CE2-CG2 4.35Å; F803-V807 HydrophobicContact CZ-CG2 3.82Å; F803-V807 WeakPolarHBondContact O-CG2 3.29Å; F803-V807 PolarHBondContact O-N 3.13Å; V807-L810 PolarHBondContact O-N 3.34Å; V807-A811 VanDerWaalsContact O-CB 3.23Å; V807-A811 WeakPolarHBondContact O-CB 3.27Å; V807-A811 PolarHBondContact O-N 3.13Å; V807-L822 HydrophobicContact CB-CD1 4.15Å; V807-L822 HydrophobicContact CG1-CD1 3.44Å; V807-L822 VanDerWaalsContact CG1-CD1 3.44Å; V807-L822 HydrophobicContact CG2-CD1 3.71Å; V807-L822 HydrophobicContact CG2-CD2 4.35Å; V807-C844 VanDerWaalsContact CG1-SG 3.54Å; V807-L848 HydrophobicContact CG1-CD1 4.07Å; V807-L848 HydrophobicContact CG1-CD2 4.49Å |
| 808 | S | 83.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.5 | -41.2 | -174.5 | -178.7 | 0 | 0 | 0 | 0 | 113.9 | Q806 T812 | Q806-S808 VanDerWaalsContact C-N 3.34Å; Q806-S808 PolarHBondContact O-N 3.34Å; S808-T812 PolarHBondContact O-OG1 2.96Å |
| 809 | P | 81.6 | Confident | 81.9 | Confident | 32 Ų | 32 | 29.2 Ų | 29.2 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | 166.3 | -27.8 | 35.2 | 0 | 0 | 0 | 113.7 | T764 R805 Q806 A811 T812 | T764-P809 HydrophobicContact CG2-CB 3.6Å; T764-P809 HydrophobicContact CG2-CG 3.66Å; R805-P809 VanDerWaalsContact O-CD 3.27Å; R805-P809 WeakPolarHBondContact O-CD 3.36Å; Q806-P809 WeakPolarHBondContact O-CD 3.49Å; P809-A811 PolarHBondContact O-N 2.84Å; P809-T812 VanDerWaalsContact O-CB 3.29Å; P809-T812 WeakPolarHBondContact O-CB 3.38Å; P809-T812 PolarHBondContact O-N 2.67Å |
| 810 | L | 82.8 | Confident | 81.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | -177.1 | -76.4 | 171 | 0 | 0 | 0 | 112.5 | L767 A771 L783 M787 Q806 V807 T812 L813 T814 F818 | L767-L810 HydrophobicContact CB-CD2 4.27Å; L767-L810 HydrophobicContact CD1-CD1 4.41Å; A771-L810 HydrophobicContact CB-CD2 4.38Å; L783-L810 HydrophobicContact CD2-CD2 4.05Å; M787-L810 HydrophobicContact CE-CD1 3.52Å; M787-L810 HydrophobicContact SD-CD1 3.57Å; M787-L810 VanDerWaalsContact SD-CD1 3.57Å; Q806-L810 WeakPolarHBondContact O-CB 3.15Å; Q806-L810 WeakPolarHBondContact O-CG 3.49Å; Q806-L810 PolarHBondContact O-N 3.33Å; Q806-L810 VanDerWaalsContact O-N 3.08Å; V807-L810 PolarHBondContact O-N 3.34Å; L810-T812 PolarHBondContact O-N 2.97Å; L810-L813 PolarHBondContact O-N 3.03Å; L810-T814 PolarHBondContact O-N 2.99Å; L810-T814 PolarHBondContact O-OG1 3.18Å; L810-F818 HydrophobicContact CB-CE1 3.83Å; L810-F818 HydrophobicContact CB-CZ 3.62Å; L810-F818 HydrophobicContact CD1-CZ 4.3Å |
| 811 | A | 82.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -23.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V807 P809 G815 F818 V819 L848 L853 | V807-A811 VanDerWaalsContact O-CB 3.23Å; V807-A811 WeakPolarHBondContact O-CB 3.27Å; V807-A811 PolarHBondContact O-N 3.13Å; P809-A811 PolarHBondContact O-N 2.84Å; A811-G815 WeakPolarHBondContact O-CA 3.44Å; A811-G815 PolarHBondContact O-N 3.19Å; A811-G815 VanDerWaalsContact O-N 3.14Å; A811-F818 VanDerWaalsContact CA-CD1 3.47Å; A811-F818 HydrophobicContact CB-CD1 3.6Å; A811-F818 HydrophobicContact CB-CE1 4.03Å; A811-V819 HydrophobicContact CB-CG2 3.77Å; A811-L848 HydrophobicContact CB-CD2 3.94Å; A811-L853 HydrophobicContact CB-CD1 3.95Å |
| 812 | T | 80.4 | Confident | 80.3 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -81.5 | -21.3 | 177.2 | -48.6 | 0 | 0 | 0 | 0 | 112.1 | S808 P809 L810 R851 | S808-T812 PolarHBondContact O-OG1 2.96Å; P809-T812 VanDerWaalsContact O-CB 3.29Å; P809-T812 WeakPolarHBondContact O-CB 3.38Å; P809-T812 PolarHBondContact O-N 2.67Å; L810-T812 PolarHBondContact O-N 2.97Å; T812-R851 PolarHBondContact OG1-NH1 3.03Å |
| 813 | L | 75 | Confident | 80.1 | Confident | 93 Ų | 93 | 42 Ų | 42 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -94.7 | -37.5 | 178.2 | -64.4 | 167.8 | 0 | 0 | 0 | 112.4 | L810 | L810-L813 PolarHBondContact O-N 3.03Å |
| 814 | T | 74.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -87.9 | -23.4 | 180 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | T779 L810 F818 | T779-T814 HydrophobicContact CG2-CG2 3.78Å; L810-T814 PolarHBondContact O-N 2.99Å; L810-T814 PolarHBondContact O-OG1 3.18Å; T814-F818 HydrophobicContact CG2-CD2 4.11Å; T814-F818 HydrophobicContact CG2-CE2 4.32Å; T814-F818 WeakPolarHBondContact OG1-CB 3.36Å; T814-F818 VanDerWaalsContact OG1-CD2 3.24Å; T814-F818 WeakPolarHBondContact OG1-CD2 3.45Å; T814-F818 WeakPolarHBondContact OG1-CG 3.25Å |
| 815 | G | 73.4 | Confident | 79.8 | Confident | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | 92.3 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A811 Q817 F818 | A811-G815 WeakPolarHBondContact O-CA 3.44Å; A811-G815 PolarHBondContact O-N 3.19Å; A811-G815 VanDerWaalsContact O-N 3.14Å; G815-Q817 PolarHBondContact O-N 3.45Å; G815-F818 WeakPolarHBondContact O-CB 3.47Å; G815-F818 PolarHBondContact O-N 2.89Å | ||
| 816 | A | 69.4 | Low | 79.9 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F818 V819 | A816-F818 PolarHBondContact O-N 3.2Å; A816-V819 PolarHBondContact O-N 3.15Å |
| 817 | Q | 72.5 | Confident | 80 | Confident | 162 Ų | 162 | 42 Ų | 42 | 76% | 0.757 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.4 | -29.4 | 173.5 | -67.1 | -179.3 | -8.9 | 0 | 0 | 112.9 | G815 V819 T820 | G815-Q817 PolarHBondContact O-N 3.45Å; Q817-V819 VanDerWaalsContact C-N 3.3Å; Q817-V819 PolarHBondContact O-N 3.39Å; Q817-T820 PolarHBondContact O-N 3.11Å; Q817-T820 PolarHBondContact O-OG1 3.49Å |
| 818 | F | 74.4 | Confident | 80 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 175.9 | -174.3 | -102.6 | 0 | 0 | 0 | 112 | L784 L810 A811 T814 G815 A816 I821 L822 | L784-F818 HydrophobicContact CB-CE2 4.38Å; L784-F818 HydrophobicContact CD1-CE2 3.88Å; L784-F818 HydrophobicContact CD1-CZ 4.01Å; L784-F818 HydrophobicContact CD2-CD2 4.09Å; L784-F818 HydrophobicContact CD2-CE2 3.8Å; L784-F818 HydrophobicContact CG-CE2 4.23Å; L810-F818 HydrophobicContact CB-CE1 3.83Å; L810-F818 HydrophobicContact CB-CZ 3.62Å; L810-F818 HydrophobicContact CD1-CZ 4.3Å; A811-F818 VanDerWaalsContact CA-CD1 3.47Å; A811-F818 HydrophobicContact CB-CD1 3.6Å; A811-F818 HydrophobicContact CB-CE1 4.03Å; T814-F818 HydrophobicContact CG2-CD2 4.11Å; T814-F818 HydrophobicContact CG2-CE2 4.32Å; T814-F818 WeakPolarHBondContact OG1-CB 3.36Å; T814-F818 VanDerWaalsContact OG1-CD2 3.24Å; T814-F818 WeakPolarHBondContact OG1-CD2 3.45Å; T814-F818 WeakPolarHBondContact OG1-CG 3.25Å; G815-F818 WeakPolarHBondContact O-CB 3.47Å; G815-F818 PolarHBondContact O-N 2.89Å; A816-F818 PolarHBondContact O-N 3.2Å; F818-I821 PolarHBondContact O-N 2.81Å; F818-L822 HydrophobicContact CD1-CD1 3.52Å; F818-L822 HydrophobicContact CD1-CG 4.27Å; F818-L822 HydrophobicContact CE1-CD1 3.4Å; F818-L822 HydrophobicContact CE1-CG 4.32Å; F818-L822 HydrophobicContact CG-CD1 4.43Å; F818-L822 HydrophobicContact CZ-CD1 4.2Å; F818-L822 WeakPolarHBondContact O-CG 3.24Å; F818-L822 PolarHBondContact O-N 3.03Å; F818-L822 VanDerWaalsContact O-N 3.16Å |
| 819 | V | 73 | Confident | 80.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76 | -25 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | A811 A816 Q817 L822 R823 L848 L853 L854 | A811-V819 HydrophobicContact CB-CG2 3.77Å; A816-V819 PolarHBondContact O-N 3.15Å; Q817-V819 VanDerWaalsContact C-N 3.3Å; Q817-V819 PolarHBondContact O-N 3.39Å; V819-L822 PolarHBondContact O-N 3.03Å; V819-R823 PolarHBondContact O-N 2.77Å; V819-L848 HydrophobicContact CG1-CD1 4.39Å; V819-L848 HydrophobicContact CG2-CD2 4.12Å; V819-L853 WeakPolarHBondContact CG1-O 3.18Å; V819-L853 HydrophobicContact CG2-CB 4.11Å; V819-L854 HydrophobicContact CG1-CD2 3.68Å |
| 820 | T | 73.4 | Confident | 80.7 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 55% | 0.546 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 174 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | Q817 L822 R823 | Q817-T820 PolarHBondContact O-N 3.11Å; Q817-T820 PolarHBondContact O-OG1 3.49Å; T820-L822 VanDerWaalsContact C-N 3.34Å; T820-R823 WeakPolarHBondContact O-CB 3.35Å; T820-R823 PolarHBondContact O-N 3.34Å |
| 821 | I | 76.7 | Confident | 81.1 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 172.9 | -58.7 | 170.2 | 0 | 0 | 0 | 110.4 | F818 R823 | F818-I821 PolarHBondContact O-N 2.81Å; I821-R823 PolarHBondContact O-N 2.7Å |
| 822 | L | 82.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.6 | -178.4 | -70.9 | -179.1 | 0 | 0 | 0 | 115.5 | L784 F803 V807 F818 V819 T820 S824 L825 L826 | L784-L822 HydrophobicContact CD1-CD2 4.1Å; F803-L822 HydrophobicContact CZ-CD2 3.79Å; V807-L822 HydrophobicContact CB-CD1 4.15Å; V807-L822 HydrophobicContact CG1-CD1 3.44Å; V807-L822 VanDerWaalsContact CG1-CD1 3.44Å; V807-L822 HydrophobicContact CG2-CD1 3.71Å; V807-L822 HydrophobicContact CG2-CD2 4.35Å; F818-L822 HydrophobicContact CD1-CD1 3.52Å; F818-L822 HydrophobicContact CD1-CG 4.27Å; F818-L822 HydrophobicContact CE1-CD1 3.4Å; F818-L822 HydrophobicContact CE1-CG 4.32Å; F818-L822 HydrophobicContact CG-CD1 4.43Å; F818-L822 HydrophobicContact CZ-CD1 4.2Å; F818-L822 WeakPolarHBondContact O-CG 3.24Å; F818-L822 PolarHBondContact O-N 3.03Å; F818-L822 VanDerWaalsContact O-N 3.16Å; V819-L822 PolarHBondContact O-N 3.03Å; T820-L822 VanDerWaalsContact C-N 3.34Å; L822-S824 VanDerWaalsContact C-N 3.35Å; L822-S824 PolarHBondContact O-N 3.23Å; L822-L825 HydrophobicContact CD2-CD1 3.9Å; L822-L825 PolarHBondContact O-N 3.16Å; L822-L825 VanDerWaalsContact O-N 3.08Å; L822-L826 HydrophobicContact CB-CD1 4.28Å; L822-L826 PolarHBondContact O-N 2.81Å |
| 823 | R | 84.5 | Confident | 81.9 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55 | -48.3 | -173.7 | -179.4 | -177.5 | 167 | -164.2 | -10.8 | 112.3 | V819 T820 I821 L825 L826 E827 I858 | V819-R823 PolarHBondContact O-N 2.77Å; T820-R823 WeakPolarHBondContact O-CB 3.35Å; T820-R823 PolarHBondContact O-N 3.34Å; I821-R823 PolarHBondContact O-N 2.7Å; R823-L825 VanDerWaalsContact C-N 3.26Å; R823-L825 PolarHBondContact O-N 2.94Å; R823-L826 PolarHBondContact O-N 3.19Å; R823-E827 HydrophobicContact CG-CG 4.47Å; R823-E827 IonicContact CZ-OE1 2.74Å; R823-E827 VanDerWaalsContact CZ-OE1 3.3Å; R823-E827 IonicContact NE-OE1 3.82Å; R823-E827 PolarHBondContact NE-OE1 3.47Å; R823-E827 IonicContact NH2-OE1 3.95Å; R823-E827 PolarHBondContact NH2-OE1 3.01Å; R823-E827 WeakPolarHBondContact O-CG 3.49Å; R823-E827 PolarHBondContact O-N 3.38Å; R823-I858 HydrophobicContact CG-CG2 4.46Å |
| 824 | S | 84.8 | Confident | 82.6 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 179.8 | 50 | 0 | 0 | 0 | 0 | 112.6 | L822 E827 Q828 | L822-S824 VanDerWaalsContact C-N 3.35Å; L822-S824 PolarHBondContact O-N 3.23Å; S824-E827 PolarHBondContact O-N 3.36Å; S824-Q828 WeakPolarHBondContact O-CG 3.44Å; S824-Q828 PolarHBondContact O-N 2.96Å |
| 825 | L | 88.1 | Confident | 83.4 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.6 | -36.7 | -178.3 | -52 | -175.7 | 0 | 0 | 0 | 112 | I788 L791 F803 F804 L822 R823 E827 Q828 G829 | I788-L825 HydrophobicContact CB-CD1 4.41Å; I788-L825 HydrophobicContact CD1-CD1 3.88Å; I788-L825 HydrophobicContact CG1-CD1 3.61Å; I788-L825 HydrophobicContact CG2-CD1 4.05Å; I788-L825 HydrophobicContact CG2-CD2 4.49Å; L791-L825 HydrophobicContact CD1-CB 3.81Å; L791-L825 HydrophobicContact CD1-CD1 4.07Å; L791-L825 HydrophobicContact CD1-CD2 3.92Å; L791-L825 HydrophobicContact CD1-CG 4.14Å; F803-L825 HydrophobicContact CE1-CB 4.27Å; F803-L825 HydrophobicContact CE1-CD1 4.42Å; F803-L825 HydrophobicContact CZ-CB 4.42Å; F803-L825 HydrophobicContact CZ-CD1 3.77Å; F804-L825 WeakPolarHBondContact CE1-O 3.29Å; F804-L825 WeakPolarHBondContact CZ-O 3.46Å; L822-L825 HydrophobicContact CD2-CD1 3.9Å; L822-L825 PolarHBondContact O-N 3.16Å; L822-L825 VanDerWaalsContact O-N 3.08Å; R823-L825 VanDerWaalsContact C-N 3.26Å; R823-L825 PolarHBondContact O-N 2.94Å; L825-E827 VanDerWaalsContact C-N 3.31Å; L825-Q828 WeakPolarHBondContact O-CB 3.32Å; L825-Q828 PolarHBondContact O-N 2.88Å; L825-G829 PolarHBondContact O-N 3.49Å |
| 826 | L | 89.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.4 | -31.8 | 169.4 | -71.2 | 167.5 | 0 | 0 | 0 | 112 | F804 L822 R823 L845 L848 F862 | F804-L826 HydrophobicContact CD1-CD2 3.96Å; F804-L826 HydrophobicContact CE1-CD2 4.16Å; L822-L826 HydrophobicContact CB-CD1 4.28Å; L822-L826 PolarHBondContact O-N 2.81Å; R823-L826 PolarHBondContact O-N 3.19Å; L826-L845 HydrophobicContact CB-CD2 4.3Å; L826-L845 HydrophobicContact CD1-CD2 4.14Å; L826-L845 HydrophobicContact CD2-CD2 4.11Å; L826-L845 HydrophobicContact CD2-CG 4.31Å; L826-L845 HydrophobicContact CG-CD2 4.43Å; L826-L848 HydrophobicContact CD1-CD1 3.87Å; L826-L848 HydrophobicContact CD2-CD1 4.39Å; L826-F862 HydrophobicContact CB-CE1 3.98Å; L826-F862 HydrophobicContact CB-CE2 4.31Å; L826-F862 HydrophobicContact CB-CZ 3.48Å; L826-F862 VanDerWaalsContact CB-CZ 3.48Å; L826-F862 HydrophobicContact CD1-CZ 4.46Å |
| 827 | E | 89.3 | Confident | 85.2 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -34 | 171.5 | -69.9 | -171.4 | -178.4 | 0 | 0 | 112 | R823 S824 L825 I831 F862 R865 | R823-E827 HydrophobicContact CG-CG 4.47Å; R823-E827 IonicContact CZ-OE1 2.74Å; R823-E827 VanDerWaalsContact CZ-OE1 3.3Å; R823-E827 IonicContact NE-OE1 3.82Å; R823-E827 PolarHBondContact NE-OE1 3.47Å; R823-E827 IonicContact NH2-OE1 3.95Å; R823-E827 PolarHBondContact NH2-OE1 3.01Å; R823-E827 WeakPolarHBondContact O-CG 3.49Å; R823-E827 PolarHBondContact O-N 3.38Å; S824-E827 PolarHBondContact O-N 3.36Å; L825-E827 VanDerWaalsContact C-N 3.31Å; E827-I831 WeakPolarHBondContact O-CD1 3.35Å; E827-I831 WeakPolarHBondContact O-CG1 3.48Å; E827-F862 HydrophobicContact CB-CE1 4.39Å; E827-F862 HydrophobicContact CG-CE1 3.53Å; E827-F862 HydrophobicContact CG-CZ 3.8Å; E827-R865 VanDerWaalsContact CD-CZ 3.43Å; E827-R865 IonicContact OE1-CZ 2.73Å; E827-R865 IonicContact OE1-NH1 2.71Å; E827-R865 PolarHBondContact OE1-NH1 3.17Å; E827-R865 IonicContact OE1-NH2 3.28Å; E827-R865 IonicContact OE2-CZ 3.21Å; E827-R865 IonicContact OE2-NH1 2.67Å; E827-R865 PolarHBondContact OE2-NH1 2.95Å; E827-R865 IonicContact OE2-NH2 3.21Å; E827-R865 PolarHBondContact OE2-NH2 3.27Å |
| 828 | Q | 87.4 | Confident | 86.1 | Confident | 106 Ų | 106 | 46.1 Ų | 46.1 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 170.8 | -72.1 | 166.8 | -1.6 | 0 | 0 | 112.4 | S824 L825 L830 I831 D832 | S824-Q828 WeakPolarHBondContact O-CG 3.44Å; S824-Q828 PolarHBondContact O-N 2.96Å; L825-Q828 WeakPolarHBondContact O-CB 3.32Å; L825-Q828 PolarHBondContact O-N 2.88Å; Q828-L830 PolarHBondContact O-N 2.88Å; Q828-I831 CarbonylContact O-C 3.45Å; Q828-I831 PolarHBondContact O-N 3.42Å; Q828-D832 PolarHBondContact O-N 2.92Å |
| 829 | G | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -23.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L825 I831 | L825-G829 PolarHBondContact O-N 3.49Å; G829-I831 VanDerWaalsContact C-N 3.34Å |
| 830 | L | 90.5 | Very high | 87.7 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | 172.7 | -70.2 | -173.5 | 0 | 0 | 0 | 114.3 | Q828 C841 L842 L845 F862 R865 L869 | Q828-L830 PolarHBondContact O-N 2.88Å; L830-C841 HydrophobicContact CD2-CB 4.38Å; L830-L842 HydrophobicContact CD2-CD2 3.7Å; L830-L842 HydrophobicContact CD2-CG 3.81Å; L830-L845 HydrophobicContact CD1-CD1 3.74Å; L830-L845 HydrophobicContact CD2-CD1 3.88Å; L830-L845 HydrophobicContact CG-CD1 3.91Å; L830-F862 HydrophobicContact CD1-CD1 3.66Å; L830-F862 HydrophobicContact CD1-CE1 4.27Å; L830-R865 HydrophobicContact CD1-CB 3.78Å; L830-L869 HydrophobicContact CD2-CD1 4.04Å |
| 831 | I | 90.4 | Very high | 88.7 | Confident | 127 Ų | 127 | 44.9 Ų | 44.9 | 65% | 0.651 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 16.2 | -178.3 | -42.2 | 171.4 | 0 | 0 | 0 | 109.3 | E827 Q828 G829 | E827-I831 WeakPolarHBondContact O-CD1 3.35Å; E827-I831 WeakPolarHBondContact O-CG1 3.48Å; Q828-I831 CarbonylContact O-C 3.45Å; Q828-I831 PolarHBondContact O-N 3.42Å; G829-I831 VanDerWaalsContact C-N 3.34Å |
| 832 | D | 90.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | trans | -70.1 | 141.4 | 177.2 | -165.4 | -77.2 | 0 | 0 | 0 | 110.8 | R800 Q828 D834 V837 I838 | R800-D832 IonicContact CZ-OD1 3.81Å; R800-D832 IonicContact CZ-OD2 2.81Å; R800-D832 IonicContact NE-OD1 3.95Å; R800-D832 IonicContact NE-OD2 2.81Å; R800-D832 PolarHBondContact NE-OD2 2.6Å; R800-D832 IonicContact NH2-OD1 2.77Å; R800-D832 PolarHBondContact NH2-OD1 3.11Å; R800-D832 IonicContact NH2-OD2 2.7Å; R800-D832 PolarHBondContact NH2-OD2 2.81Å; Q828-D832 PolarHBondContact O-N 2.92Å; D832-D834 PolarHBondContact O-N 3.31Å; D832-D834 PolarHBondContact OD1-N 2.83Å; D832-V837 HydrophobicContact CB-CB 3.9Å; D832-V837 HydrophobicContact CB-CG1 3.78Å; D832-V837 VanDerWaalsContact CG-CG1 3.49Å; D832-V837 WeakPolarHBondContact OD2-CG1 3.23Å; D832-I838 HydrophobicContact CB-CG1 4.37Å; D832-I838 WeakPolarHBondContact O-CD1 3.12Å; D832-I838 WeakPolarHBondContact O-CG1 3.32Å | ||
| 833 | P | 89 | Confident | 89.9 | Confident | 125 Ų | 125 | 44 Ų | 44 | 81% | 0.812 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -72.1 | -7.6 | 179.2 | 29.4 | -37.4 | 0 | 0 | 0 | 115 | ||
| 834 | D | 90.8 | Very high | 90.2 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -107.7 | 129.2 | -178.8 | -172.2 | -79.6 | 0 | 0 | 0 | 113.6 | P797 D832 M836 V837 I838 | P797-D834 HydrophobicContact CB-CB 3.72Å; P797-D834 WeakPolarHBondContact CB-OD1 3.11Å; P797-D834 HydrophobicContact CG-CB 4.46Å; P797-D834 WeakPolarHBondContact CG-OD2 3.29Å; D832-D834 PolarHBondContact O-N 3.31Å; D832-D834 PolarHBondContact OD1-N 2.83Å; D834-M836 VanDerWaalsContact C-N 3.25Å; D834-M836 PolarHBondContact O-N 2.97Å; D834-M836 VanDerWaalsContact O-N 3.16Å; D834-M836 VanDerWaalsContact OD1-CB 3.26Å; D834-M836 WeakPolarHBondContact OD1-CB 3.31Å; D834-M836 PolarHBondContact OD1-N 3.18Å; D834-V837 HydrophobicContact CB-CG2 4.01Å; D834-V837 PolarHBondContact O-N 3.32Å; D834-I838 PolarHBondContact O-N 2.9Å |
| 835 | D | 90.4 | Very high | 90.5 | Very high | 54 Ų | 54 | 36 Ų | 36 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.5 | -37.7 | -176.8 | -89.8 | 4.9 | 0 | 0 | 0 | 114.1 | E839 H872 C874 I877 | D835-E839 VanDerWaalsContact O-CB 3.3Å; D835-E839 WeakPolarHBondContact O-CB 3.48Å; D835-E839 PolarHBondContact O-N 3.4Å; D835-H872 IonicContact OD1-CE1 3.49Å; D835-H872 PolarHBondContact OD1-CE1 3.44Å; D835-H872 VanDerWaalsContact OD1-CE1 3.26Å; D835-C874 WeakPolarHBondContact OD2-CB 3.46Å; D835-C874 PolarHBondContact OD2-SG 3.26Å; D835-I877 HydrophobicContact CB-CD1 4.15Å; D835-I877 VanDerWaalsContact OD1-CD1 3.31Å; D835-I877 WeakPolarHBondContact OD1-CD1 3.42Å |
| 836 | M | 89 | Confident | 90.6 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -73.3 | -30.9 | -177.5 | -178.9 | 178.6 | 56.8 | 0 | 0 | 111.6 | P797 E798 A801 D834 E840 | P797-M836 HydrophobicContact CB-CE 3.93Å; P797-M836 HydrophobicContact CG-CE 4.08Å; E798-M836 HydrophobicContact CG-CE 4.09Å; A801-M836 HydrophobicContact CB-CE 4.3Å; A801-M836 HydrophobicContact CB-CG 4.17Å; D834-M836 VanDerWaalsContact C-N 3.25Å; D834-M836 PolarHBondContact O-N 2.97Å; D834-M836 VanDerWaalsContact O-N 3.16Å; D834-M836 VanDerWaalsContact OD1-CB 3.26Å; D834-M836 WeakPolarHBondContact OD1-CB 3.31Å; D834-M836 PolarHBondContact OD1-N 3.18Å; M836-E840 WeakPolarHBondContact O-CB 3.1Å; M836-E840 PolarHBondContact O-N 3.36Å |
| 837 | V | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.6 | -42.7 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 110 | P797 R800 A801 F804 D832 D834 E839 E840 C841 | P797-V837 HydrophobicContact CB-CG2 3.67Å; R800-V837 HydrophobicContact CB-CG1 3.82Å; R800-V837 HydrophobicContact CB-CG2 3.81Å; A801-V837 HydrophobicContact CB-CG2 4.5Å; F804-V837 HydrophobicContact CD2-CG1 3.84Å; F804-V837 HydrophobicContact CE2-CG1 3.61Å; D832-V837 HydrophobicContact CB-CB 3.9Å; D832-V837 HydrophobicContact CB-CG1 3.78Å; D832-V837 VanDerWaalsContact CG-CG1 3.49Å; D832-V837 WeakPolarHBondContact OD2-CG1 3.23Å; D834-V837 HydrophobicContact CB-CG2 4.01Å; D834-V837 PolarHBondContact O-N 3.32Å; V837-E839 VanDerWaalsContact C-N 3.34Å; V837-E840 PolarHBondContact O-N 2.96Å; V837-C841 WeakPolarHBondContact O-CB 3.27Å; V837-C841 PolarHBondContact O-N 3.5Å |
| 838 | I | 92.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 171.4 | -55.7 | 174.2 | 0 | 0 | 0 | 110.1 | D832 D834 C841 L842 L869 I877 | D832-I838 HydrophobicContact CB-CG1 4.37Å; D832-I838 WeakPolarHBondContact O-CD1 3.12Å; D832-I838 WeakPolarHBondContact O-CG1 3.32Å; D834-I838 PolarHBondContact O-N 2.9Å; I838-C841 PolarHBondContact O-N 3.01Å; I838-L842 HydrophobicContact CG2-CD1 3.91Å; I838-L842 HydrophobicContact CG2-CG 4.42Å; I838-L842 WeakPolarHBondContact O-CB 3.48Å; I838-L842 VanDerWaalsContact O-CG 3.31Å; I838-L842 WeakPolarHBondContact O-CG 3.29Å; I838-L842 PolarHBondContact O-N 2.95Å; I838-L869 HydrophobicContact CG2-CD1 3.82Å; I838-L869 HydrophobicContact CG2-CD2 4.34Å; I838-I877 HydrophobicContact CB-CD1 3.9Å; I838-I877 HydrophobicContact CB-CG1 4.07Å; I838-I877 HydrophobicContact CD1-CD1 3.79Å; I838-I877 HydrophobicContact CG1-CD1 4.41Å; I838-I877 HydrophobicContact CG2-CD1 4Å; I838-I877 HydrophobicContact CG2-CG1 3.91Å; I838-I877 HydrophobicContact CG2-CG2 4.13Å |
| 839 | E | 90.2 | Very high | 90.5 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 17% | 0.173 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 177.8 | 177.4 | 174.6 | -153.2 | 0 | 0 | 112.2 | D835 V837 L842 H843 R876 | D835-E839 VanDerWaalsContact O-CB 3.3Å; D835-E839 WeakPolarHBondContact O-CB 3.48Å; D835-E839 PolarHBondContact O-N 3.4Å; V837-E839 VanDerWaalsContact C-N 3.34Å; E839-L842 PolarHBondContact O-N 2.87Å; E839-H843 PolarHBondContact O-N 2.85Å; E839-H843 PolarHBondContact O-ND1 3.41Å; E839-H843 IonicContact OE1-CE1 3.15Å; E839-R876 WeakPolarHBondContact OE1-CB 3.34Å; E839-R876 WeakPolarHBondContact OE2-CD 3.49Å; E839-R876 IonicContact OE2-CZ 3.18Å; E839-R876 IonicContact OE2-NE 3.5Å; E839-R876 IonicContact OE2-NH1 2.73Å; E839-R876 PolarHBondContact OE2-NH1 2.93Å |
| 840 | E | 91.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.8 | -31.9 | -179.7 | -168.4 | 67.9 | -130.9 | 0 | 0 | 111.9 | A801 F804 R805 M836 V837 H843 C844 | A801-E840 HydrophobicContact CB-CB 4.02Å; A801-E840 HydrophobicContact CB-CG 4.26Å; A801-E840 VanDerWaalsContact O-CG 3.3Å; A801-E840 WeakPolarHBondContact O-CG 3.34Å; F804-E840 HydrophobicContact CB-CG 4.21Å; R805-E840 HydrophobicContact CB-CG 3.97Å; R805-E840 WeakPolarHBondContact CB-OE1 3.39Å; R805-E840 WeakPolarHBondContact CG-OE1 3.32Å; R805-E840 IonicContact CZ-OE2 2.8Å; R805-E840 VanDerWaalsContact NE-CD 3.27Å; R805-E840 IonicContact NE-OE1 3.03Å; R805-E840 IonicContact NE-OE2 3.75Å; R805-E840 PolarHBondContact NE-OE2 3.41Å; R805-E840 IonicContact NH2-OE2 3.26Å; R805-E840 PolarHBondContact NH2-OE2 3.46Å; M836-E840 WeakPolarHBondContact O-CB 3.1Å; M836-E840 PolarHBondContact O-N 3.36Å; V837-E840 PolarHBondContact O-N 2.96Å; E840-H843 PolarHBondContact O-N 3.24Å; E840-C844 VanDerWaalsContact O-CB 3.28Å; E840-C844 WeakPolarHBondContact O-CB 3.17Å; E840-C844 PolarHBondContact O-N 3.07Å |
| 841 | C | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 171.8 | -172 | 0 | 0 | 0 | 0 | 111.8 | F804 L830 V837 I838 C844 L845 | F804-C841 HydrophobicContact CD1-CB 4.31Å; F804-C841 HydrophobicContact CD2-CB 4.12Å; F804-C841 HydrophobicContact CE2-CB 4.46Å; F804-C841 HydrophobicContact CG-CB 4.06Å; L830-C841 HydrophobicContact CD2-CB 4.38Å; V837-C841 WeakPolarHBondContact O-CB 3.27Å; V837-C841 PolarHBondContact O-N 3.5Å; I838-C841 PolarHBondContact O-N 3.01Å; C841-C844 PolarHBondContact O-N 3.46Å; C841-L845 WeakPolarHBondContact O-CB 3.43Å; C841-L845 WeakPolarHBondContact O-CG 3.44Å; C841-L845 PolarHBondContact O-N 3.2Å |
| 842 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 173.6 | -74.8 | 166 | 0 | 0 | 0 | 112.1 | L830 I838 E839 T846 L869 I877 S881 | L830-L842 HydrophobicContact CD2-CD2 3.7Å; L830-L842 HydrophobicContact CD2-CG 3.81Å; I838-L842 HydrophobicContact CG2-CD1 3.91Å; I838-L842 HydrophobicContact CG2-CG 4.42Å; I838-L842 WeakPolarHBondContact O-CB 3.48Å; I838-L842 VanDerWaalsContact O-CG 3.31Å; I838-L842 WeakPolarHBondContact O-CG 3.29Å; I838-L842 PolarHBondContact O-N 2.95Å; E839-L842 PolarHBondContact O-N 2.87Å; L842-T846 VanDerWaalsContact O-CB 3.25Å; L842-T846 WeakPolarHBondContact O-CB 3.34Å; L842-T846 PolarHBondContact O-N 2.93Å; L842-T846 PolarHBondContact O-OG1 3.02Å; L842-L869 HydrophobicContact CD1-CD1 4.25Å; L842-L869 HydrophobicContact CD2-CD1 4.35Å; L842-I877 HydrophobicContact CD1-CG2 4.25Å; L842-S881 WeakPolarHBondContact CD1-OG 3.41Å |
| 843 | H | 91.6 | Very high | 89 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 34% | 0.338 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 172.3 | -75.7 | 95.7 | 0 | 0 | 0 | 112.1 | E839 E840 T846 N847 | E839-H843 PolarHBondContact O-N 2.85Å; E839-H843 PolarHBondContact O-ND1 3.41Å; E839-H843 IonicContact OE1-CE1 3.15Å; E840-H843 PolarHBondContact O-N 3.24Å; H843-T846 WeakPolarHBondContact O-CB 3.24Å; H843-T846 PolarHBondContact O-N 2.95Å; H843-N847 WeakPolarHBondContact O-CB 3.17Å; H843-N847 VanDerWaalsContact O-CG 3.29Å; H843-N847 PolarHBondContact O-N 2.92Å; H843-N847 PolarHBondContact O-ND2 2.8Å |
| 844 | C | 91.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | F804 V807 E840 C841 T846 N847 L848 | F804-C844 HydrophobicContact CB-CB 4.12Å; F804-C844 WeakPolarHBondContact O-CB 3.4Å; F804-C844 PolarHBondContact O-SG 3.02Å; V807-C844 VanDerWaalsContact CG1-SG 3.54Å; E840-C844 VanDerWaalsContact O-CB 3.28Å; E840-C844 WeakPolarHBondContact O-CB 3.17Å; E840-C844 PolarHBondContact O-N 3.07Å; C841-C844 PolarHBondContact O-N 3.46Å; C844-T846 VanDerWaalsContact C-N 3.28Å; C844-T846 PolarHBondContact O-N 2.87Å; C844-N847 PolarHBondContact O-N 2.93Å; C844-L848 WeakPolarHBondContact O-CG 3.5Å; C844-L848 PolarHBondContact O-N 3.24Å |
| 845 | L | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 175.1 | -74.8 | 170.4 | 0 | 0 | 0 | 111.7 | L826 L830 C841 N847 L849 L854 F862 Y884 | L826-L845 HydrophobicContact CB-CD2 4.3Å; L826-L845 HydrophobicContact CD1-CD2 4.14Å; L826-L845 HydrophobicContact CD2-CD2 4.11Å; L826-L845 HydrophobicContact CD2-CG 4.31Å; L826-L845 HydrophobicContact CG-CD2 4.43Å; L830-L845 HydrophobicContact CD1-CD1 3.74Å; L830-L845 HydrophobicContact CD2-CD1 3.88Å; L830-L845 HydrophobicContact CG-CD1 3.91Å; C841-L845 WeakPolarHBondContact O-CB 3.43Å; C841-L845 WeakPolarHBondContact O-CG 3.44Å; C841-L845 PolarHBondContact O-N 3.2Å; L845-N847 VanDerWaalsContact C-N 3.35Å; L845-N847 PolarHBondContact O-N 2.93Å; L845-L849 WeakPolarHBondContact O-CB 3.45Å; L845-L849 PolarHBondContact O-N 3.36Å; L845-L854 HydrophobicContact CD2-CD1 4.14Å; L845-F862 HydrophobicContact CD1-CB 4.38Å; L845-F862 HydrophobicContact CD1-CD1 3.86Å; L845-F862 HydrophobicContact CD1-CE1 4.3Å; L845-F862 HydrophobicContact CD1-CG 4.06Å; L845-F862 HydrophobicContact CD2-CD1 4.07Å; L845-F862 HydrophobicContact CD2-CD2 3.54Å; L845-F862 HydrophobicContact CD2-CE1 4.15Å; L845-F862 HydrophobicContact CD2-CE2 3.61Å; L845-F862 HydrophobicContact CD2-CG 3.79Å; L845-F862 HydrophobicContact CD2-CZ 3.95Å; L845-Y884 HydrophobicContact CB-CD2 3.82Å; L845-Y884 HydrophobicContact CB-CE2 3.73Å |
| 846 | T | 89.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | L842 H843 C844 R850 Y884 | L842-T846 VanDerWaalsContact O-CB 3.25Å; L842-T846 WeakPolarHBondContact O-CB 3.34Å; L842-T846 PolarHBondContact O-N 2.93Å; L842-T846 PolarHBondContact O-OG1 3.02Å; H843-T846 WeakPolarHBondContact O-CB 3.24Å; H843-T846 PolarHBondContact O-N 2.95Å; C844-T846 VanDerWaalsContact C-N 3.28Å; C844-T846 PolarHBondContact O-N 2.87Å; T846-R850 WeakPolarHBondContact O-CB 3.45Å; T846-R850 WeakPolarHBondContact O-CD 3.46Å; T846-R850 WeakPolarHBondContact O-CG 3.42Å; T846-R850 PolarHBondContact O-N 2.9Å; T846-Y884 WeakPolarHBondContact OG1-CA 3.31Å |
| 847 | N | 88.5 | Confident | 86.5 | Confident | 64 Ų | 64 | 37 Ų | 37 | 34% | 0.342 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -74.1 | -42.8 | 178.4 | -73.6 | -29.8 | 0 | 0 | 0 | 112.7 | H843 C844 L845 L849 R850 R851 | H843-N847 WeakPolarHBondContact O-CB 3.17Å; H843-N847 VanDerWaalsContact O-CG 3.29Å; H843-N847 PolarHBondContact O-N 2.92Å; H843-N847 PolarHBondContact O-ND2 2.8Å; C844-N847 PolarHBondContact O-N 2.93Å; L845-N847 VanDerWaalsContact C-N 3.35Å; L845-N847 PolarHBondContact O-N 2.93Å; N847-L849 VanDerWaalsContact C-N 3.3Å; N847-L849 PolarHBondContact O-N 3.15Å; N847-R850 PolarHBondContact O-N 3.41Å; N847-R851 WeakPolarHBondContact O-CB 3.22Å; N847-R851 WeakPolarHBondContact O-CG 3.34Å; N847-R851 PolarHBondContact O-N 3.37Å |
| 848 | L | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 172.9 | -67.2 | 172.8 | 0 | 0 | 0 | 111.3 | V807 A811 V819 L826 C844 R851 R852 L853 L854 | V807-L848 HydrophobicContact CG1-CD1 4.07Å; V807-L848 HydrophobicContact CG1-CD2 4.49Å; A811-L848 HydrophobicContact CB-CD2 3.94Å; V819-L848 HydrophobicContact CG1-CD1 4.39Å; V819-L848 HydrophobicContact CG2-CD2 4.12Å; L826-L848 HydrophobicContact CD1-CD1 3.87Å; L826-L848 HydrophobicContact CD2-CD1 4.39Å; C844-L848 WeakPolarHBondContact O-CG 3.5Å; C844-L848 PolarHBondContact O-N 3.24Å; L848-R851 CarbonylContact O-C 3.6Å; L848-R851 PolarHBondContact O-N 3.21Å; L848-R852 PolarHBondContact O-N 2.86Å; L848-R852 VanDerWaalsContact O-N 3.15Å; L848-L853 HydrophobicContact CD2-CB 4.14Å; L848-L853 HydrophobicContact CD2-CD1 3.98Å; L848-L853 PolarHBondContact O-N 2.85Å; L848-L854 HydrophobicContact CB-CD1 4.05Å; L848-L854 HydrophobicContact CB-CG 3.88Å |
| 849 | L | 87 | Confident | 85.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 174.8 | -179.2 | 58.7 | 0 | 0 | 0 | 111.5 | L845 N847 R851 R852 L854 A859 Y884 F888 L891 W918 | L845-L849 WeakPolarHBondContact O-CB 3.45Å; L845-L849 PolarHBondContact O-N 3.36Å; N847-L849 VanDerWaalsContact C-N 3.3Å; N847-L849 PolarHBondContact O-N 3.15Å; L849-R851 VanDerWaalsContact C-N 3.32Å; L849-R851 PolarHBondContact O-N 3.39Å; L849-R852 PolarHBondContact O-N 3.42Å; L849-L854 HydrophobicContact CB-CD1 4.07Å; L849-A859 HydrophobicContact CD1-CB 4.2Å; L849-Y884 HydrophobicContact CB-CE2 4.28Å; L849-Y884 HydrophobicContact CD2-CD2 4.06Å; L849-Y884 HydrophobicContact CD2-CE2 3.59Å; L849-F888 HydrophobicContact CD2-CB 4.03Å; L849-L891 HydrophobicContact CD1-CD1 3.45Å; L849-L891 VanDerWaalsContact CD1-CD1 3.45Å; L849-L891 HydrophobicContact CD2-CD1 4.44Å; L849-L891 HydrophobicContact CG-CD1 3.57Å; L849-W918 HydrophobicContact CD1-CH2 3.57Å; L849-W918 HydrophobicContact CD1-CZ2 4.18Å |
| 850 | R | 85.2 | Confident | 85.3 | Confident | 119 Ų | 119 | 36.7 Ų | 36.7 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.5 | -36.5 | 176.8 | -73 | 168.1 | -175.5 | 175.6 | 0.4 | 112.8 | T846 N847 R852 S887 | T846-R850 WeakPolarHBondContact O-CB 3.45Å; T846-R850 WeakPolarHBondContact O-CD 3.46Å; T846-R850 WeakPolarHBondContact O-CG 3.42Å; T846-R850 PolarHBondContact O-N 2.9Å; N847-R850 PolarHBondContact O-N 3.41Å; R850-R852 PolarHBondContact O-N 3.01Å; R850-S887 PolarHBondContact NE-OG 2.98Å; R850-S887 VanDerWaalsContact NE-OG 3.14Å; R850-S887 PolarHBondContact NH2-OG 3.31Å |
| 851 | R | 81.7 | Confident | 84.8 | Confident | 133 Ų | 133 | 36.5 Ų | 36.5 | 50% | 0.502 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 0.2 | 173.6 | -68.8 | -177.2 | -175.1 | -140.2 | -3.4 | 114.1 | T812 N847 L848 L849 L853 | T812-R851 PolarHBondContact OG1-NH1 3.03Å; N847-R851 WeakPolarHBondContact O-CB 3.22Å; N847-R851 WeakPolarHBondContact O-CG 3.34Å; N847-R851 PolarHBondContact O-N 3.37Å; L848-R851 CarbonylContact O-C 3.6Å; L848-R851 PolarHBondContact O-N 3.21Å; L849-R851 VanDerWaalsContact C-N 3.32Å; L849-R851 PolarHBondContact O-N 3.39Å; R851-L853 HydrophobicContact CB-CD1 3.92Å; R851-L853 HydrophobicContact CB-CG 3.95Å; R851-L853 PolarHBondContact O-N 2.8Å |
| 852 | R | 81.6 | Confident | 84.5 | Confident | 166 Ų | 166 | 36.5 Ų | 36.5 | 63% | 0.626 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 26.8 | -176.3 | -51.7 | -175.9 | -173.6 | 170.2 | 5.8 | 114.6 | L848 L849 R850 | L848-R852 PolarHBondContact O-N 2.86Å; L848-R852 VanDerWaalsContact O-N 3.15Å; L849-R852 PolarHBondContact O-N 3.42Å; R850-R852 PolarHBondContact O-N 3.01Å |
| 853 | L | 82.5 | Confident | 84.1 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | trans | -87.1 | -10.3 | 178.6 | -63.1 | 173 | 0 | 0 | 0 | 113.1 | A811 V819 L848 R851 | A811-L853 HydrophobicContact CB-CD1 3.95Å; V819-L853 WeakPolarHBondContact CG1-O 3.18Å; V819-L853 HydrophobicContact CG2-CB 4.11Å; L848-L853 HydrophobicContact CD2-CB 4.14Å; L848-L853 HydrophobicContact CD2-CD1 3.98Å; L848-L853 PolarHBondContact O-N 2.85Å; R851-L853 HydrophobicContact CB-CD1 3.92Å; R851-L853 HydrophobicContact CB-CG 3.95Å; R851-L853 PolarHBondContact O-N 2.8Å | ||
| 854 | L | 80 | Confident | 83.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -92.9 | 133.4 | 167.7 | -68.2 | 168.5 | 0 | 0 | 0 | 110.1 | V819 L845 L848 L849 I858 A859 F862 | V819-L854 HydrophobicContact CG1-CD2 3.68Å; L845-L854 HydrophobicContact CD2-CD1 4.14Å; L848-L854 HydrophobicContact CB-CD1 4.05Å; L848-L854 HydrophobicContact CB-CG 3.88Å; L849-L854 HydrophobicContact CB-CD1 4.07Å; L854-I858 HydrophobicContact CD2-CG2 3.81Å; L854-A859 HydrophobicContact CB-CB 4.38Å; L854-F862 HydrophobicContact CD2-CE2 4.31Å |
| 855 | S | 77.6 | Confident | 83.3 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | trans | -75 | 153.8 | 167.7 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | I858 A859 H916 | S855-I858 PolarHBondContact O-N 2.89Å; S855-I858 VanDerWaalsContact O-N 3.12Å; S855-I858 WeakPolarHBondContact OG-CD1 3.13Å; S855-I858 WeakPolarHBondContact OG-CG1 3.25Å; S855-A859 PolarHBondContact O-N 3.17Å; S855-H916 WeakPolarHBondContact CB-CD2 3.33Å | ||
| 856 | A | 73.1 | Confident | 83 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -43.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I858 A859 V860 F917 W918 I921 | A856-I858 VanDerWaalsContact C-N 3.31Å; A856-I858 PolarHBondContact O-N 2.98Å; A856-A859 PolarHBondContact O-N 3.29Å; A856-V860 WeakPolarHBondContact O-CG2 3.3Å; A856-V860 PolarHBondContact O-N 2.7Å; A856-F917 WeakPolarHBondContact CB-O 3.47Å; A856-W918 HydrophobicContact CB-CB 4.25Å; A856-W918 HydrophobicContact CB-CD2 3.41Å; A856-W918 VanDerWaalsContact CB-CD2 3.41Å; A856-W918 HydrophobicContact CB-CE3 3.74Å; A856-W918 HydrophobicContact CB-CG 3.66Å; A856-W918 HydrophobicContact CB-CZ2 4.23Å; A856-W918 HydrophobicContact CB-CZ3 4.29Å; A856-I921 HydrophobicContact CB-CD1 4.09Å |
| 857 | P | 76.7 | Confident | 82.5 | Confident | 80 Ų | 80 | 41 Ų | 41 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.5 | -22.5 | 34.8 | 0 | 0 | 0 | 112.5 | S861 I921 | P857-S861 PolarHBondContact O-N 3.16Å; P857-S861 VanDerWaalsContact O-N 3.08Å; P857-I921 HydrophobicContact CG-CD1 4.21Å |
| 858 | I | 81.9 | Confident | 82.2 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 177.7 | -62.7 | 179.2 | 0 | 0 | 0 | 109.8 | R823 L854 S855 A856 V860 S861 F862 | R823-I858 HydrophobicContact CG-CG2 4.46Å; L854-I858 HydrophobicContact CD2-CG2 3.81Å; S855-I858 PolarHBondContact O-N 2.89Å; S855-I858 VanDerWaalsContact O-N 3.12Å; S855-I858 WeakPolarHBondContact OG-CD1 3.13Å; S855-I858 WeakPolarHBondContact OG-CG1 3.25Å; A856-I858 VanDerWaalsContact C-N 3.31Å; A856-I858 PolarHBondContact O-N 2.98Å; I858-V860 PolarHBondContact O-N 3.39Å; I858-S861 WeakPolarHBondContact O-CB 3.47Å; I858-S861 PolarHBondContact O-N 2.81Å; I858-S861 VanDerWaalsContact O-N 3.13Å; I858-S861 PolarHBondContact O-OG 3.03Å; I858-F862 HydrophobicContact CG2-CD2 3.79Å; I858-F862 HydrophobicContact CG2-CE2 3.42Å; I858-F862 VanDerWaalsContact CG2-CE2 3.42Å; I858-F862 VanDerWaalsContact O-CD2 3.25Å; I858-F862 WeakPolarHBondContact O-CD2 3.41Å; I858-F862 PolarHBondContact O-N 2.92Å; I858-F862 VanDerWaalsContact O-N 3.11Å |
| 859 | A | 83.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L849 L854 S855 A856 S861 F862 L863 Y884 F888 W918 | L849-A859 HydrophobicContact CD1-CB 4.2Å; L854-A859 HydrophobicContact CB-CB 4.38Å; S855-A859 PolarHBondContact O-N 3.17Å; A856-A859 PolarHBondContact O-N 3.29Å; A859-S861 VanDerWaalsContact C-N 3.33Å; A859-S861 PolarHBondContact O-N 2.8Å; A859-F862 PolarHBondContact O-N 3.23Å; A859-L863 PolarHBondContact O-N 3.45Å; A859-Y884 WeakPolarHBondContact CA-OH 3.46Å; A859-Y884 PolarHBondContact O-OH 2.9Å; A859-Y884 VanDerWaalsContact O-OH 3.04Å; A859-F888 HydrophobicContact CB-CD2 4.27Å; A859-F888 HydrophobicContact CB-CE2 4.05Å; A859-W918 HydrophobicContact CB-CH2 3.42Å; A859-W918 VanDerWaalsContact CB-CH2 3.42Å; A859-W918 HydrophobicContact CB-CZ2 4.16Å; A859-W918 HydrophobicContact CB-CZ3 4.14Å |
| 860 | V | 81.7 | Confident | 81.3 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | 174 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | A856 I858 F862 L863 T864 F888 I921 C922 | A856-V860 WeakPolarHBondContact O-CG2 3.3Å; A856-V860 PolarHBondContact O-N 2.7Å; I858-V860 PolarHBondContact O-N 3.39Å; V860-F862 VanDerWaalsContact C-N 3.3Å; V860-F862 PolarHBondContact O-N 3.16Å; V860-L863 PolarHBondContact O-N 3.47Å; V860-T864 PolarHBondContact O-N 2.81Å; V860-F888 HydrophobicContact CG2-CE2 3.91Å; V860-F888 HydrophobicContact CG2-CZ 3.7Å; V860-I921 HydrophobicContact CB-CG2 4.34Å; V860-I921 HydrophobicContact CG1-CG2 4.24Å; V860-I921 HydrophobicContact CG2-CB 4.39Å; V860-I921 HydrophobicContact CG2-CG2 3.89Å; V860-C922 HydrophobicContact CG2-CB 4.33Å |
| 861 | S | 82.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -32 | 175 | 82.1 | 0 | 0 | 0 | 0 | 113.3 | P857 I858 A859 | P857-S861 PolarHBondContact O-N 3.16Å; P857-S861 VanDerWaalsContact O-N 3.08Å; I858-S861 WeakPolarHBondContact O-CB 3.47Å; I858-S861 PolarHBondContact O-N 2.81Å; I858-S861 VanDerWaalsContact O-N 3.13Å; I858-S861 PolarHBondContact O-OG 3.03Å; A859-S861 VanDerWaalsContact C-N 3.33Å; A859-S861 PolarHBondContact O-N 2.8Å |
| 862 | F | 87.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.5 | -35.3 | 173.7 | -73.1 | -58.3 | 0 | 0 | 0 | 112.8 | L826 E827 L830 L845 L854 I858 A859 V860 T864 R865 S866 Y884 | L826-F862 HydrophobicContact CB-CE1 3.98Å; L826-F862 HydrophobicContact CB-CE2 4.31Å; L826-F862 HydrophobicContact CB-CZ 3.48Å; L826-F862 VanDerWaalsContact CB-CZ 3.48Å; L826-F862 HydrophobicContact CD1-CZ 4.46Å; E827-F862 HydrophobicContact CB-CE1 4.39Å; E827-F862 HydrophobicContact CG-CE1 3.53Å; E827-F862 HydrophobicContact CG-CZ 3.8Å; L830-F862 HydrophobicContact CD1-CD1 3.66Å; L830-F862 HydrophobicContact CD1-CE1 4.27Å; L845-F862 HydrophobicContact CD1-CB 4.38Å; L845-F862 HydrophobicContact CD1-CD1 3.86Å; L845-F862 HydrophobicContact CD1-CE1 4.3Å; L845-F862 HydrophobicContact CD1-CG 4.06Å; L845-F862 HydrophobicContact CD2-CD1 4.07Å; L845-F862 HydrophobicContact CD2-CD2 3.54Å; L845-F862 HydrophobicContact CD2-CE1 4.15Å; L845-F862 HydrophobicContact CD2-CE2 3.61Å; L845-F862 HydrophobicContact CD2-CG 3.79Å; L845-F862 HydrophobicContact CD2-CZ 3.95Å; L854-F862 HydrophobicContact CD2-CE2 4.31Å; I858-F862 HydrophobicContact CG2-CD2 3.79Å; I858-F862 HydrophobicContact CG2-CE2 3.42Å; I858-F862 VanDerWaalsContact CG2-CE2 3.42Å; I858-F862 VanDerWaalsContact O-CD2 3.25Å; I858-F862 WeakPolarHBondContact O-CD2 3.41Å; I858-F862 PolarHBondContact O-N 2.92Å; I858-F862 VanDerWaalsContact O-N 3.11Å; A859-F862 PolarHBondContact O-N 3.23Å; V860-F862 VanDerWaalsContact C-N 3.3Å; V860-F862 PolarHBondContact O-N 3.16Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 2.96Å; F862-R865 PolarHBondContact O-N 3.02Å; F862-S866 PolarHBondContact O-N 3.35Å; F862-S866 PolarHBondContact O-OG 3.08Å; F862-Y884 HydrophobicContact CB-CE1 4.33Å |
| 863 | L | 83.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.4 | -45.4 | 177 | -177.9 | 68.4 | 0 | 0 | 0 | 112.4 | A859 V860 R865 S866 L867 Y884 I885 F888 V927 | A859-L863 PolarHBondContact O-N 3.45Å; V860-L863 PolarHBondContact O-N 3.47Å; L863-R865 VanDerWaalsContact C-N 3.26Å; L863-R865 PolarHBondContact O-N 3.35Å; L863-S866 PolarHBondContact O-N 3.48Å; L863-L867 HydrophobicContact CD1-CD1 4.49Å; L863-L867 HydrophobicContact CG-CD1 4.01Å; L863-L867 HydrophobicContact CG-CG 4.47Å; L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.24Å; L863-L867 WeakPolarHBondContact O-CG 3.44Å; L863-L867 PolarHBondContact O-N 3.28Å; L863-Y884 HydrophobicContact CB-CE1 4.27Å; L863-Y884 HydrophobicContact CD1-CE1 4.38Å; L863-I885 HydrophobicContact CD1-CG1 3.98Å; L863-F888 HydrophobicContact CD1-CB 4.3Å; L863-F888 HydrophobicContact CD1-CD1 4.22Å; L863-F888 HydrophobicContact CD1-CG 4.12Å; L863-F888 HydrophobicContact CD2-CD1 3.86Å; L863-F888 HydrophobicContact CD2-CE1 3.71Å; L863-F888 HydrophobicContact CD2-CE2 4.4Å; L863-F888 HydrophobicContact CD2-CG 4.32Å; L863-F888 HydrophobicContact CD2-CZ 4.01Å; L863-V927 HydrophobicContact CD1-CG1 4.39Å; L863-V927 HydrophobicContact CD2-CG1 4.42Å; L863-V927 HydrophobicContact CD2-CG2 4.06Å |
| 864 | T | 81.3 | Confident | 80.4 | Confident | 78 Ų | 78 | 33 Ų | 33 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | V860 F862 | V860-T864 PolarHBondContact O-N 2.81Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 2.96Å |
| 865 | R | 83.9 | Confident | 80.3 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.6 | -45.6 | 177.5 | -64.6 | 174 | 169.9 | 124.9 | -18.2 | 111.5 | E827 L830 F862 L863 L867 A868 L869 | E827-R865 VanDerWaalsContact CD-CZ 3.43Å; E827-R865 IonicContact OE1-CZ 2.73Å; E827-R865 IonicContact OE1-NH1 2.71Å; E827-R865 PolarHBondContact OE1-NH1 3.17Å; E827-R865 IonicContact OE1-NH2 3.28Å; E827-R865 IonicContact OE2-CZ 3.21Å; E827-R865 IonicContact OE2-NH1 2.67Å; E827-R865 PolarHBondContact OE2-NH1 2.95Å; E827-R865 IonicContact OE2-NH2 3.21Å; E827-R865 PolarHBondContact OE2-NH2 3.27Å; L830-R865 HydrophobicContact CD1-CB 3.78Å; F862-R865 PolarHBondContact O-N 3.02Å; L863-R865 VanDerWaalsContact C-N 3.26Å; L863-R865 PolarHBondContact O-N 3.35Å; R865-L867 PolarHBondContact O-N 3.49Å; R865-A868 PolarHBondContact O-N 3.13Å; R865-A868 VanDerWaalsContact O-N 3.16Å; R865-L869 PolarHBondContact O-N 2.78Å |
| 866 | S | 84.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -31.6 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | F862 L863 L869 T870 S881 Y884 | F862-S866 PolarHBondContact O-N 3.35Å; F862-S866 PolarHBondContact O-OG 3.08Å; L863-S866 PolarHBondContact O-N 3.48Å; S866-L869 PolarHBondContact O-N 3.36Å; S866-T870 PolarHBondContact O-N 2.99Å; S866-S881 WeakPolarHBondContact O-CB 3.4Å; S866-Y884 WeakPolarHBondContact OG-CD1 3.42Å |
| 867 | L | 79.7 | Confident | 81 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 173.9 | -77.8 | 164.6 | 0 | 0 | 0 | 112 | L863 R865 L869 T870 I885 R930 L931 | L863-L867 HydrophobicContact CD1-CD1 4.49Å; L863-L867 HydrophobicContact CG-CD1 4.01Å; L863-L867 HydrophobicContact CG-CG 4.47Å; L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.24Å; L863-L867 WeakPolarHBondContact O-CG 3.44Å; L863-L867 PolarHBondContact O-N 3.28Å; R865-L867 PolarHBondContact O-N 3.49Å; L867-L869 VanDerWaalsContact C-N 3.33Å; L867-L869 PolarHBondContact O-N 2.82Å; L867-T870 WeakPolarHBondContact O-CB 3.43Å; L867-T870 WeakPolarHBondContact O-CG2 3.5Å; L867-T870 PolarHBondContact O-N 3.42Å; L867-T870 PolarHBondContact O-OG1 2.64Å; L867-I885 HydrophobicContact CD2-CD1 3.8Å; L867-I885 HydrophobicContact CD2-CG1 4.32Å; L867-I885 HydrophobicContact CG-CD1 4.26Å; L867-R930 HydrophobicContact CD1-CB 3.84Å; L867-L931 HydrophobicContact CD2-CD2 3.41Å; L867-L931 VanDerWaalsContact CD2-CD2 3.41Å; L867-L931 HydrophobicContact CD2-CG 3.64Å |
| 868 | A | 81.5 | Confident | 81.2 | Confident | 75 Ų | 75 | 38.5 Ų | 38.5 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.4 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | R865 T870 A871 | R865-A868 PolarHBondContact O-N 3.13Å; R865-A868 VanDerWaalsContact O-N 3.16Å; A868-T870 PolarHBondContact O-N 2.68Å; A868-T870 VanDerWaalsContact O-N 3.15Å; A868-A871 PolarHBondContact O-N 3.04Å |
| 869 | L | 83.6 | Confident | 81 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -11.6 | 178.5 | -68.1 | 172.6 | 0 | 0 | 0 | 114.2 | L830 I838 L842 R865 S866 L867 A871 H872 I877 S881 | L830-L869 HydrophobicContact CD2-CD1 4.04Å; I838-L869 HydrophobicContact CG2-CD1 3.82Å; I838-L869 HydrophobicContact CG2-CD2 4.34Å; L842-L869 HydrophobicContact CD1-CD1 4.25Å; L842-L869 HydrophobicContact CD2-CD1 4.35Å; R865-L869 PolarHBondContact O-N 2.78Å; S866-L869 PolarHBondContact O-N 3.36Å; L867-L869 VanDerWaalsContact C-N 3.33Å; L867-L869 PolarHBondContact O-N 2.82Å; L869-A871 PolarHBondContact O-N 3.21Å; L869-H872 WeakPolarHBondContact O-CB 3.38Å; L869-H872 PolarHBondContact O-N 3.12Å; L869-H872 VanDerWaalsContact O-N 3.14Å; L869-I877 HydrophobicContact CB-CG2 3.95Å; L869-I877 HydrophobicContact CD2-CG2 4.2Å; L869-S881 VanDerWaalsContact CB-OG 3.24Å; L869-S881 WeakPolarHBondContact CB-OG 3.39Å |
| 870 | T | 74.6 | Confident | 81 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.7 | 172.1 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | S866 L867 A868 H872 R878 I885 I940 | S866-T870 PolarHBondContact O-N 2.99Å; L867-T870 WeakPolarHBondContact O-CB 3.43Å; L867-T870 WeakPolarHBondContact O-CG2 3.5Å; L867-T870 PolarHBondContact O-N 3.42Å; L867-T870 PolarHBondContact O-OG1 2.64Å; A868-T870 PolarHBondContact O-N 2.68Å; A868-T870 VanDerWaalsContact O-N 3.15Å; T870-H872 VanDerWaalsContact C-N 3.33Å; T870-R878 WeakPolarHBondContact O-CD 3.3Å; T870-R878 WeakPolarHBondContact O-CG 3.45Å; T870-I885 HydrophobicContact CG2-CD1 3.58Å; T870-I940 WeakPolarHBondContact O-CD1 3.43Å; T870-I940 WeakPolarHBondContact OG1-CD1 3.48Å |
| 871 | A | 75.6 | Confident | 81.1 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A868 L869 I940 | A868-A871 PolarHBondContact O-N 3.04Å; L869-A871 PolarHBondContact O-N 3.21Å; A871-I940 HydrophobicContact CB-CD1 4.4Å |
| 872 | H | 78.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | trans | -63.2 | 141.7 | -171.8 | -161.2 | -101 | 0 | 0 | 0 | 112.7 | D835 L869 T870 C874 I877 R878 | D835-H872 IonicContact OD1-CE1 3.49Å; D835-H872 PolarHBondContact OD1-CE1 3.44Å; D835-H872 VanDerWaalsContact OD1-CE1 3.26Å; L869-H872 WeakPolarHBondContact O-CB 3.38Å; L869-H872 PolarHBondContact O-N 3.12Å; L869-H872 VanDerWaalsContact O-N 3.14Å; T870-H872 VanDerWaalsContact C-N 3.33Å; H872-C874 VanDerWaalsContact C-N 3.33Å; H872-C874 PolarHBondContact ND1-N 3.38Å; H872-C874 PolarHBondContact O-N 3.34Å; H872-I877 HydrophobicContact CB-CB 4.31Å; H872-I877 HydrophobicContact CB-CG2 3.7Å; H872-I877 VanDerWaalsContact CE1-CD1 3.47Å; H872-I877 WeakPolarHBondContact CE1-CD1 3.31Å; H872-I877 VanDerWaalsContact ND1-CD1 3.33Å; H872-I877 WeakPolarHBondContact ND1-CD1 3.46Å; H872-R878 WeakPolarHBondContact O-CD 3.49Å; H872-R878 WeakPolarHBondContact O-CG 3.26Å; H872-R878 PolarHBondContact O-NH1 2.98Å | ||
| 873 | P | 77.5 | Confident | 80.5 | Confident | 103 Ų | 103 | 41.7 Ų | 41.7 | 67% | 0.669 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -61.4 | -34.4 | 179.8 | 21.9 | -34.7 | 0 | 0 | 0 | 114.1 | R878 | P873-R878 VanDerWaalsContact C-NH1 3.25Å; P873-R878 PolarHBondContact O-NH1 3.31Å |
| 874 | C | 80.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -72.7 | 127.6 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | D835 H872 R876 I877 R878 | D835-C874 WeakPolarHBondContact OD2-CB 3.46Å; D835-C874 PolarHBondContact OD2-SG 3.26Å; H872-C874 VanDerWaalsContact C-N 3.33Å; H872-C874 PolarHBondContact ND1-N 3.38Å; H872-C874 PolarHBondContact O-N 3.34Å; C874-R876 VanDerWaalsContact C-N 3.33Å; C874-R876 PolarHBondContact O-N 2.63Å; C874-I877 HydrophobicContact CB-CD1 4.26Å; C874-I877 PolarHBondContact O-N 3.45Å; C874-R878 PolarHBondContact O-N 3.18Å |
| 875 | L | 77 | Confident | 80.5 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 179.8 | 179.6 | 63.4 | 0 | 0 | 0 | 112.6 | R878 Q879 | L875-R878 PolarHBondContact O-N 3.12Å; L875-Q879 HydrophobicContact CD1-CG 4.35Å; L875-Q879 HydrophobicContact CG-CG 4.45Å; L875-Q879 WeakPolarHBondContact O-CG 3.23Å; L875-Q879 PolarHBondContact O-N 3.26Å |
| 876 | R | 81.2 | Confident | 80 | Confident | 109 Ų | 109 | 35.2 Ų | 35.2 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | -177.7 | -71.7 | -175 | -68.8 | 145.4 | -9.2 | 112.3 | E839 C874 R878 Q879 G880 | E839-R876 WeakPolarHBondContact OE1-CB 3.34Å; E839-R876 WeakPolarHBondContact OE2-CD 3.49Å; E839-R876 IonicContact OE2-CZ 3.18Å; E839-R876 IonicContact OE2-NE 3.5Å; E839-R876 IonicContact OE2-NH1 2.73Å; E839-R876 PolarHBondContact OE2-NH1 2.93Å; C874-R876 VanDerWaalsContact C-N 3.33Å; C874-R876 PolarHBondContact O-N 2.63Å; R876-R878 PolarHBondContact O-N 2.87Å; R876-Q879 PolarHBondContact O-N 3.29Å; R876-G880 PolarHBondContact O-N 3.5Å |
| 877 | I | 85.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 174.4 | -72.5 | 166.6 | 0 | 0 | 0 | 111.6 | D835 I838 L842 L869 H872 C874 Q879 G880 S881 | D835-I877 HydrophobicContact CB-CD1 4.15Å; D835-I877 VanDerWaalsContact OD1-CD1 3.31Å; D835-I877 WeakPolarHBondContact OD1-CD1 3.42Å; I838-I877 HydrophobicContact CB-CD1 3.9Å; I838-I877 HydrophobicContact CB-CG1 4.07Å; I838-I877 HydrophobicContact CD1-CD1 3.79Å; I838-I877 HydrophobicContact CG1-CD1 4.41Å; I838-I877 HydrophobicContact CG2-CD1 4Å; I838-I877 HydrophobicContact CG2-CG1 3.91Å; I838-I877 HydrophobicContact CG2-CG2 4.13Å; L842-I877 HydrophobicContact CD1-CG2 4.25Å; L869-I877 HydrophobicContact CB-CG2 3.95Å; L869-I877 HydrophobicContact CD2-CG2 4.2Å; H872-I877 HydrophobicContact CB-CB 4.31Å; H872-I877 HydrophobicContact CB-CG2 3.7Å; H872-I877 VanDerWaalsContact CE1-CD1 3.47Å; H872-I877 WeakPolarHBondContact CE1-CD1 3.31Å; H872-I877 VanDerWaalsContact ND1-CD1 3.33Å; H872-I877 WeakPolarHBondContact ND1-CD1 3.46Å; C874-I877 HydrophobicContact CB-CD1 4.26Å; C874-I877 PolarHBondContact O-N 3.45Å; I877-Q879 VanDerWaalsContact C-N 3.34Å; I877-Q879 PolarHBondContact O-N 3.11Å; I877-G880 PolarHBondContact O-N 3.15Å; I877-S881 VanDerWaalsContact O-CB 3.26Å; I877-S881 WeakPolarHBondContact O-CB 3.4Å; I877-S881 PolarHBondContact O-N 3.46Å; I877-S881 PolarHBondContact O-OG 2.85Å |
| 878 | R | 80.3 | Confident | 79.9 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.5 | -64.8 | -162.4 | -61.2 | -83.2 | 2.2 | 111.4 | T870 H872 P873 C874 L875 R876 S881 V882 C948 | T870-R878 WeakPolarHBondContact O-CD 3.3Å; T870-R878 WeakPolarHBondContact O-CG 3.45Å; H872-R878 WeakPolarHBondContact O-CD 3.49Å; H872-R878 WeakPolarHBondContact O-CG 3.26Å; H872-R878 PolarHBondContact O-NH1 2.98Å; P873-R878 VanDerWaalsContact C-NH1 3.25Å; P873-R878 PolarHBondContact O-NH1 3.31Å; C874-R878 PolarHBondContact O-N 3.18Å; L875-R878 PolarHBondContact O-N 3.12Å; R876-R878 PolarHBondContact O-N 2.87Å; R878-S881 PolarHBondContact O-N 3.41Å; R878-V882 WeakPolarHBondContact O-CB 3.46Å; R878-V882 WeakPolarHBondContact O-CG2 3.13Å; R878-V882 PolarHBondContact O-N 3.48Å; R878-C948 PolarHBondContact NH2-SG 2.88Å; R878-C948 VanDerWaalsContact NH2-SG 3.4Å |
| 879 | Q | 77.9 | Confident | 79.4 | Confident | 84 Ų | 84 | 31.5 Ų | 31.5 | 39% | 0.393 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.3 | -73.3 | 174.1 | -21.8 | 0 | 0 | 112.3 | L875 R876 I877 S881 V882 A883 | L875-Q879 HydrophobicContact CD1-CG 4.35Å; L875-Q879 HydrophobicContact CG-CG 4.45Å; L875-Q879 WeakPolarHBondContact O-CG 3.23Å; L875-Q879 PolarHBondContact O-N 3.26Å; R876-Q879 PolarHBondContact O-N 3.29Å; I877-Q879 VanDerWaalsContact C-N 3.34Å; I877-Q879 PolarHBondContact O-N 3.11Å; Q879-S881 VanDerWaalsContact C-N 3.34Å; Q879-S881 PolarHBondContact O-N 3.06Å; Q879-V882 PolarHBondContact O-N 3.27Å; Q879-A883 WeakPolarHBondContact O-CB 3.48Å; Q879-A883 PolarHBondContact O-N 2.8Å |
| 880 | G | 82.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | R876 I877 A883 Y884 | R876-G880 PolarHBondContact O-N 3.5Å; I877-G880 PolarHBondContact O-N 3.15Å; G880-A883 PolarHBondContact O-N 2.92Å; G880-Y884 PolarHBondContact O-N 2.8Å |
| 881 | S | 84.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -47.3 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | L842 S866 L869 I877 R878 Q879 A883 Y884 I885 | L842-S881 WeakPolarHBondContact CD1-OG 3.41Å; S866-S881 WeakPolarHBondContact O-CB 3.4Å; L869-S881 VanDerWaalsContact CB-OG 3.24Å; L869-S881 WeakPolarHBondContact CB-OG 3.39Å; I877-S881 VanDerWaalsContact O-CB 3.26Å; I877-S881 WeakPolarHBondContact O-CB 3.4Å; I877-S881 PolarHBondContact O-N 3.46Å; I877-S881 PolarHBondContact O-OG 2.85Å; R878-S881 PolarHBondContact O-N 3.41Å; Q879-S881 VanDerWaalsContact C-N 3.34Å; Q879-S881 PolarHBondContact O-N 3.06Å; S881-A883 VanDerWaalsContact C-N 3.31Å; S881-A883 PolarHBondContact O-N 3.3Å; S881-Y884 PolarHBondContact O-N 3.34Å; S881-I885 WeakPolarHBondContact O-CB 3.5Å; S881-I885 WeakPolarHBondContact O-CD1 3.47Å; S881-I885 VanDerWaalsContact O-CG1 3.23Å; S881-I885 WeakPolarHBondContact O-CG1 3.45Å; S881-I885 PolarHBondContact O-N 3.01Å |
| 882 | V | 77.6 | Confident | 78.4 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | R878 Q879 I885 T886 F949 L955 | R878-V882 WeakPolarHBondContact O-CB 3.46Å; R878-V882 WeakPolarHBondContact O-CG2 3.13Å; R878-V882 PolarHBondContact O-N 3.48Å; Q879-V882 PolarHBondContact O-N 3.27Å; V882-I885 PolarHBondContact O-N 3.32Å; V882-T886 WeakPolarHBondContact O-CB 3.49Å; V882-T886 PolarHBondContact O-N 3.12Å; V882-T886 PolarHBondContact O-OG1 2.93Å; V882-F949 HydrophobicContact CG2-CE1 4.19Å; V882-L955 HydrophobicContact CG1-CD1 4.23Å |
| 883 | A | 78.6 | Confident | 77.8 | Confident | 29 Ų | 29 | 31 Ų | 31 | 24% | 0.24 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q879 G880 S881 S887 | Q879-A883 WeakPolarHBondContact O-CB 3.48Å; Q879-A883 PolarHBondContact O-N 2.8Å; G880-A883 PolarHBondContact O-N 2.92Å; S881-A883 VanDerWaalsContact C-N 3.31Å; S881-A883 PolarHBondContact O-N 3.3Å; A883-S887 WeakPolarHBondContact O-CB 3.22Å; A883-S887 PolarHBondContact O-N 3.24Å; A883-S887 PolarHBondContact O-OG 2.97Å |
| 884 | Y | 86.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -52.1 | 172.1 | -175.3 | -94 | 0 | 0 | 0 | 111.4 | L845 T846 L849 A859 F862 L863 S866 G880 S881 T886 S887 F888 | L845-Y884 HydrophobicContact CB-CD2 3.82Å; L845-Y884 HydrophobicContact CB-CE2 3.73Å; T846-Y884 WeakPolarHBondContact OG1-CA 3.31Å; L849-Y884 HydrophobicContact CB-CE2 4.28Å; L849-Y884 HydrophobicContact CD2-CD2 4.06Å; L849-Y884 HydrophobicContact CD2-CE2 3.59Å; A859-Y884 WeakPolarHBondContact CA-OH 3.46Å; A859-Y884 PolarHBondContact O-OH 2.9Å; A859-Y884 VanDerWaalsContact O-OH 3.04Å; F862-Y884 HydrophobicContact CB-CE1 4.33Å; L863-Y884 HydrophobicContact CB-CE1 4.27Å; L863-Y884 HydrophobicContact CD1-CE1 4.38Å; S866-Y884 WeakPolarHBondContact OG-CD1 3.42Å; G880-Y884 PolarHBondContact O-N 2.8Å; S881-Y884 PolarHBondContact O-N 3.34Å; Y884-T886 VanDerWaalsContact C-N 3.3Å; Y884-T886 PolarHBondContact O-N 2.63Å; Y884-S887 PolarHBondContact O-N 2.93Å; Y884-S887 VanDerWaalsContact O-N 3.08Å; Y884-F888 WeakPolarHBondContact O-CB 3.47Å; Y884-F888 PolarHBondContact O-N 3.13Å |
| 885 | I | 79.8 | Confident | 76 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -43.1 | 179.6 | -66.8 | 160.1 | 0 | 0 | 0 | 110.8 | L863 L867 T870 S881 V882 F888 A889 V927 | L863-I885 HydrophobicContact CD1-CG1 3.98Å; L867-I885 HydrophobicContact CD2-CD1 3.8Å; L867-I885 HydrophobicContact CD2-CG1 4.32Å; L867-I885 HydrophobicContact CG-CD1 4.26Å; T870-I885 HydrophobicContact CG2-CD1 3.58Å; S881-I885 WeakPolarHBondContact O-CB 3.5Å; S881-I885 WeakPolarHBondContact O-CD1 3.47Å; S881-I885 VanDerWaalsContact O-CG1 3.23Å; S881-I885 WeakPolarHBondContact O-CG1 3.45Å; S881-I885 PolarHBondContact O-N 3.01Å; V882-I885 PolarHBondContact O-N 3.32Å; I885-F888 PolarHBondContact O-N 3.42Å; I885-A889 WeakPolarHBondContact O-CB 3.25Å; I885-A889 PolarHBondContact O-N 2.89Å; I885-V927 HydrophobicContact CG2-CG1 4.02Å |
| 886 | T | 73.5 | Confident | 74.8 | Confident | 16 Ų | 16 | 30 Ų | 30 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.3 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | V882 Y884 F888 A889 R890 V954 | V882-T886 WeakPolarHBondContact O-CB 3.49Å; V882-T886 PolarHBondContact O-N 3.12Å; V882-T886 PolarHBondContact O-OG1 2.93Å; Y884-T886 VanDerWaalsContact C-N 3.3Å; Y884-T886 PolarHBondContact O-N 2.63Å; T886-F888 VanDerWaalsContact C-N 3.3Å; T886-F888 PolarHBondContact O-N 3.44Å; T886-A889 PolarHBondContact O-N 3.26Å; T886-R890 HydrophobicContact CG2-CG 4.4Å; T886-R890 WeakPolarHBondContact O-CB 3.25Å; T886-R890 VanDerWaalsContact O-CG 3.28Å; T886-R890 WeakPolarHBondContact O-CG 3.41Å; T886-R890 PolarHBondContact O-N 2.78Å; T886-V954 HydrophobicContact CG2-CG1 3.46Å; T886-V954 VanDerWaalsContact CG2-CG1 3.46Å |
| 887 | S | 80.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.2 | -32.9 | -178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | R850 A883 Y884 L891 | R850-S887 PolarHBondContact NE-OG 2.98Å; R850-S887 VanDerWaalsContact NE-OG 3.14Å; R850-S887 PolarHBondContact NH2-OG 3.31Å; A883-S887 WeakPolarHBondContact O-CB 3.22Å; A883-S887 PolarHBondContact O-N 3.24Å; A883-S887 PolarHBondContact O-OG 2.97Å; Y884-S887 PolarHBondContact O-N 2.93Å; Y884-S887 VanDerWaalsContact O-N 3.08Å; S887-L891 WeakPolarHBondContact O-CG 3.27Å; S887-L891 PolarHBondContact O-N 3Å; S887-L891 VanDerWaalsContact O-N 3.15Å |
| 888 | F | 81.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67 | -49.3 | 171.6 | -174.6 | -80.2 | 0 | 0 | 0 | 111.3 | L849 A859 V860 L863 Y884 I885 T886 R890 L891 A892 W918 C922 V927 | L849-F888 HydrophobicContact CD2-CB 4.03Å; A859-F888 HydrophobicContact CB-CD2 4.27Å; A859-F888 HydrophobicContact CB-CE2 4.05Å; V860-F888 HydrophobicContact CG2-CE2 3.91Å; V860-F888 HydrophobicContact CG2-CZ 3.7Å; L863-F888 HydrophobicContact CD1-CB 4.3Å; L863-F888 HydrophobicContact CD1-CD1 4.22Å; L863-F888 HydrophobicContact CD1-CG 4.12Å; L863-F888 HydrophobicContact CD2-CD1 3.86Å; L863-F888 HydrophobicContact CD2-CE1 3.71Å; L863-F888 HydrophobicContact CD2-CE2 4.4Å; L863-F888 HydrophobicContact CD2-CG 4.32Å; L863-F888 HydrophobicContact CD2-CZ 4.01Å; Y884-F888 WeakPolarHBondContact O-CB 3.47Å; Y884-F888 PolarHBondContact O-N 3.13Å; I885-F888 PolarHBondContact O-N 3.42Å; T886-F888 VanDerWaalsContact C-N 3.3Å; T886-F888 PolarHBondContact O-N 3.44Å; F888-R890 PolarHBondContact O-N 3.33Å; F888-L891 PolarHBondContact O-N 3.18Å; F888-A892 HydrophobicContact CE1-CB 4.48Å; F888-A892 WeakPolarHBondContact O-CB 3.46Å; F888-A892 PolarHBondContact O-N 3.46Å; F888-W918 HydrophobicContact CD2-CZ3 4.26Å; F888-W918 HydrophobicContact CE2-CH2 4.37Å; F888-W918 AromaticContact CE2-CZ3 3.77Å; F888-W918 HydrophobicContact CE2-CZ3 3.77Å; F888-W918 HydrophobicContact CZ-CZ3 4.3Å; F888-C922 HydrophobicContact CE1-CB 4.07Å; F888-C922 HydrophobicContact CZ-CB 4.07Å; F888-V927 HydrophobicContact CD1-CG2 4.35Å; F888-V927 HydrophobicContact CE1-CG2 4.26Å |
| 889 | A | 71.6 | Confident | 70 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I885 T886 L891 A892 V893 | I885-A889 WeakPolarHBondContact O-CB 3.25Å; I885-A889 PolarHBondContact O-N 2.89Å; T886-A889 PolarHBondContact O-N 3.26Å; A889-L891 VanDerWaalsContact C-N 3.34Å; A889-L891 PolarHBondContact O-N 2.69Å; A889-A892 PolarHBondContact O-N 3.49Å; A889-V893 WeakPolarHBondContact O-CG2 3.29Å; A889-V893 PolarHBondContact O-N 2.94Å |
| 890 | R | 72.8 | Confident | 68.5 | Low | 64 Ų | 64 | 42 Ų | 42 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.9 | -74.4 | 174.2 | 179.8 | -154.5 | -5.3 | 112.3 | T886 F888 N894 I1089 E1090 | T886-R890 HydrophobicContact CG2-CG 4.4Å; T886-R890 WeakPolarHBondContact O-CB 3.25Å; T886-R890 VanDerWaalsContact O-CG 3.28Å; T886-R890 WeakPolarHBondContact O-CG 3.41Å; T886-R890 PolarHBondContact O-N 2.78Å; F888-R890 PolarHBondContact O-N 3.33Å; R890-N894 VanDerWaalsContact O-CB 3.32Å; R890-N894 WeakPolarHBondContact O-CB 3.39Å; R890-N894 PolarHBondContact O-N 2.91Å; R890-N894 PolarHBondContact O-ND2 3.45Å; R890-I1089 PolarHBondContact NH1-O 3.09Å; R890-E1090 WeakPolarHBondContact CD-OE1 3.28Å; R890-E1090 IonicContact CZ-OE1 2.85Å; R890-E1090 IonicContact CZ-OE2 2.75Å; R890-E1090 IonicContact NE-OE1 3.65Å; R890-E1090 PolarHBondContact NE-OE1 3.35Å; R890-E1090 IonicContact NE-OE2 3.71Å; R890-E1090 IonicContact NH1-OE1 2.93Å; R890-E1090 PolarHBondContact NH1-OE1 3.35Å; R890-E1090 IonicContact NH1-OE2 2.84Å; R890-E1090 PolarHBondContact NH1-OE2 3.41Å; R890-E1090 VanDerWaalsContact NH1-OE2 3.15Å; R890-E1090 IonicContact NH2-OE1 2.85Å; R890-E1090 PolarHBondContact NH2-OE1 3.2Å; R890-E1090 IonicContact NH2-OE2 3.3Å; R890-E1090 PolarHBondContact NH2-OE2 2.87Å |
| 891 | L | 73.2 | Confident | 66.5 | Low | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 175.3 | -76.8 | 170.9 | 0 | 0 | 0 | 112.3 | L849 S887 F888 A889 V893 N894 F895 | L849-L891 HydrophobicContact CD1-CD1 3.45Å; L849-L891 VanDerWaalsContact CD1-CD1 3.45Å; L849-L891 HydrophobicContact CD2-CD1 4.44Å; L849-L891 HydrophobicContact CG-CD1 3.57Å; S887-L891 WeakPolarHBondContact O-CG 3.27Å; S887-L891 PolarHBondContact O-N 3Å; S887-L891 VanDerWaalsContact O-N 3.15Å; F888-L891 PolarHBondContact O-N 3.18Å; A889-L891 VanDerWaalsContact C-N 3.34Å; A889-L891 PolarHBondContact O-N 2.69Å; L891-V893 VanDerWaalsContact C-N 3.32Å; L891-V893 PolarHBondContact O-N 3.47Å; L891-N894 PolarHBondContact O-N 2.96Å; L891-F895 WeakPolarHBondContact O-CB 3.24Å; L891-F895 WeakPolarHBondContact O-CD2 3.47Å; L891-F895 PolarHBondContact O-N 2.9Å |
| 892 | A | 66.7 | Low | 64.2 | Low | 15 Ų | 15 | 56.7 Ų | 56.7 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F888 A889 A896 | F888-A892 HydrophobicContact CE1-CB 4.48Å; F888-A892 WeakPolarHBondContact O-CB 3.46Å; F888-A892 PolarHBondContact O-N 3.46Å; A889-A892 PolarHBondContact O-N 3.49Å; A892-A896 WeakPolarHBondContact O-CB 3.36Å; A892-A896 PolarHBondContact O-N 2.98Å |
| 893 | V | 64.9 | Low | 62.2 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 16% | 0.164 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -50.3 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A889 L891 F895 A896 E897 P924 | A889-V893 WeakPolarHBondContact O-CG2 3.29Å; A889-V893 PolarHBondContact O-N 2.94Å; L891-V893 VanDerWaalsContact C-N 3.32Å; L891-V893 PolarHBondContact O-N 3.47Å; V893-F895 PolarHBondContact O-N 3.28Å; V893-A896 WeakPolarHBondContact O-CB 3.39Å; V893-A896 PolarHBondContact O-N 3.13Å; V893-E897 HydrophobicContact CG1-CG 4.4Å; V893-E897 VanDerWaalsContact CG1-OE1 3.32Å; V893-E897 WeakPolarHBondContact CG1-OE1 3.5Å; V893-E897 WeakPolarHBondContact O-CG 3.45Å; V893-E897 PolarHBondContact O-N 3.02Å; V893-P924 HydrophobicContact CG2-CG 3.93Å |
| 894 | N | 63.3 | Low | 60 | Low | 68 Ų | 68 | 66.1 Ų | 66.1 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -30.8 | 178.2 | -91.7 | -95.2 | 0 | 0 | 0 | 113.5 | R890 L891 K898 | R890-N894 VanDerWaalsContact O-CB 3.32Å; R890-N894 WeakPolarHBondContact O-CB 3.39Å; R890-N894 PolarHBondContact O-N 2.91Å; R890-N894 PolarHBondContact O-ND2 3.45Å; L891-N894 PolarHBondContact O-N 2.96Å; N894-K898 WeakPolarHBondContact O-CB 3.49Å; N894-K898 WeakPolarHBondContact O-CD 3.24Å; N894-K898 WeakPolarHBondContact O-CG 3.43Å; N894-K898 PolarHBondContact O-N 2.76Å |
| 895 | F | 57.6 | Low | 57.7 | Low | 72 Ų | 72 | 72.4 Ų | 72.4 | 32% | 0.316 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.9 | -38 | 173.7 | -89.8 | -71 | 0 | 0 | 0 | 112.3 | L891 V893 K898 S899 W918 | L891-F895 WeakPolarHBondContact O-CB 3.24Å; L891-F895 WeakPolarHBondContact O-CD2 3.47Å; L891-F895 PolarHBondContact O-N 2.9Å; V893-F895 PolarHBondContact O-N 3.28Å; F895-K898 PolarHBondContact O-N 3.38Å; F895-S899 WeakPolarHBondContact O-CB 3.44Å; F895-S899 PolarHBondContact O-N 2.76Å; F895-S899 PolarHBondContact O-OG 3.08Å; F895-W918 HydrophobicContact CD1-CB 4.42Å; F895-W918 HydrophobicContact CD2-CB 4.13Å; F895-W918 HydrophobicContact CD2-CG 4.18Å; F895-W918 HydrophobicContact CE2-CB 4.31Å; F895-W918 HydrophobicContact CE2-CD2 4.34Å; F895-W918 AromaticContact CE2-CG 3.97Å; F895-W918 HydrophobicContact CE2-CG 3.97Å; F895-W918 HydrophobicContact CG-CB 4.19Å; F895-W918 HydrophobicContact CZ-CG 4.31Å |
| 896 | A | 51 | Low | 55.5 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A892 V893 K898 S899 Q900 | A892-A896 WeakPolarHBondContact O-CB 3.36Å; A892-A896 PolarHBondContact O-N 2.98Å; V893-A896 WeakPolarHBondContact O-CB 3.39Å; V893-A896 PolarHBondContact O-N 3.13Å; A896-K898 VanDerWaalsContact C-N 3.3Å; A896-K898 PolarHBondContact O-N 3.28Å; A896-S899 WeakPolarHBondContact CA-OG 3.42Å; A896-S899 PolarHBondContact O-N 3.22Å; A896-S899 VanDerWaalsContact O-N 3.15Å; A896-S899 PolarHBondContact O-OG 3.25Å; A896-Q900 PolarHBondContact O-N 3.41Å |
| 897 | E | 50.9 | Low | 53.7 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 178 | -67.9 | 168.6 | 173.8 | 0 | 0 | 112.6 | V893 Q900 S901 | V893-E897 HydrophobicContact CG1-CG 4.4Å; V893-E897 VanDerWaalsContact CG1-OE1 3.32Å; V893-E897 WeakPolarHBondContact CG1-OE1 3.5Å; V893-E897 WeakPolarHBondContact O-CG 3.45Å; V893-E897 PolarHBondContact O-N 3.02Å; E897-Q900 PolarHBondContact O-N 3.02Å; E897-S901 PolarHBondContact O-OG 3.27Å |
| 898 | K | 49.7 | Very low | 51.6 | Low | 124 Ų | 124 | 97.2 Ų | 97.2 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -79.3 | -24.4 | 178.4 | -72.8 | 174.2 | -176.7 | 164.9 | 0 | 113.6 | N894 F895 A896 Q900 S901 | N894-K898 WeakPolarHBondContact O-CB 3.49Å; N894-K898 WeakPolarHBondContact O-CD 3.24Å; N894-K898 WeakPolarHBondContact O-CG 3.43Å; N894-K898 PolarHBondContact O-N 2.76Å; F895-K898 PolarHBondContact O-N 3.38Å; A896-K898 VanDerWaalsContact C-N 3.3Å; A896-K898 PolarHBondContact O-N 3.28Å; K898-Q900 VanDerWaalsContact C-N 3.29Å; K898-S901 WeakPolarHBondContact CA-OG 3.45Å |
| 899 | S | 46.8 | Very low | 49.3 | Very low | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.5 | -18.8 | 171.4 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | F895 A896 | F895-S899 WeakPolarHBondContact O-CB 3.44Å; F895-S899 PolarHBondContact O-N 2.76Å; F895-S899 PolarHBondContact O-OG 3.08Å; A896-S899 WeakPolarHBondContact CA-OG 3.42Å; A896-S899 PolarHBondContact O-N 3.22Å; A896-S899 VanDerWaalsContact O-N 3.15Å; A896-S899 PolarHBondContact O-OG 3.25Å |
| 900 | Q | 44.8 | Very low | 47.4 | Very low | 171 Ų | 171 | 111 Ų | 111 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -2.2 | 177.8 | -70.4 | -178.8 | -18.5 | 0 | 0 | 114.1 | A896 E897 K898 | A896-Q900 PolarHBondContact O-N 3.41Å; E897-Q900 PolarHBondContact O-N 3.02Å; K898-Q900 VanDerWaalsContact C-N 3.29Å |
| 901 | S | 42.2 | Very low | 45.4 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -123.5 | 14.9 | -171 | 47.4 | 0 | 0 | 0 | 0 | 115.2 | E897 K898 | E897-S901 PolarHBondContact O-OG 3.27Å; K898-S901 WeakPolarHBondContact CA-OG 3.45Å |
| 902 | R | 36.1 | Very low | 43.4 | Very low | 225 Ų | 225 | 118.2 Ų | 118.2 | 85% | 0.849 | 64% | 0.638 | S | S | * | * | trans | -125.4 | 102.8 | 169.6 | -79.8 | -171.1 | 167.3 | -159.6 | -7.5 | 111.5 | ||||
| 903 | V | 35.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 79% | 0.788 | 67% | 0.666 | S | S | * | * | trans | -68.4 | 135.9 | 155.2 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 904 | P | 32.5 | Very low | 40.1 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -72.6 | 135.1 | 173.6 | 30.2 | -33.5 | 0 | 0 | 0 | 110.5 | ||||
| 905 | T | 36.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -117.7 | 149 | 159.6 | 52.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 906 | E | 35 | Very low | 38.3 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -74.7 | 177.6 | -178.1 | -66.8 | 160.8 | 156.4 | 0 | 0 | 111 | ||||
| 907 | D | 35.7 | Very low | 37.9 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 81.1 | -177.8 | -56.9 | -26.8 | 0 | 0 | 0 | 118.1 | ||||
| 908 | E | 36 | Very low | 37.9 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | trans | -162.7 | 76.1 | 138.6 | -125.5 | 178.6 | -150.3 | 0 | 0 | 112.4 | T910 | E908-T910 PolarHBondContact O-N 2.99Š| ||
| 909 | D | 32.3 | Very low | 37.6 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | trans | -82.1 | 101 | 173 | -102.2 | -38.5 | 0 | 0 | 0 | 111.5 | ||||
| 910 | T | 32.8 | Very low | 37.9 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -179.3 | 157.9 | 139.1 | 21.5 | 0 | 0 | 0 | 0 | 112.7 | E908 | E908-T910 PolarHBondContact O-N 2.99Š| ||
| 911 | V | 30.9 | Very low | 38.2 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 65.7 | 108.6 | 178.3 | -169.6 | 0 | 0 | 0 | 0 | 114.5 | M913 | V911-M913 PolarHBondContact O-N 3.49Š|
| 912 | P | 31 | Very low | 38.8 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -74.2 | 87 | -177.8 | 30.9 | -35.5 | 0 | 0 | 0 | 112.1 | V914 | P912-V914 PolarHBondContact O-N 3.45Å; P912-V914 VanDerWaalsContact O-N 3.16Å | ||
| 913 | M | 29.4 | Very low | 39.6 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | trans | -62.2 | 115.3 | 167.1 | -82.9 | -135.1 | -66 | 0 | 0 | 110.1 | V911 H915 | V911-M913 PolarHBondContact O-N 3.49Å; M913-H915 VanDerWaalsContact C-N 3.27Å; M913-H915 PolarHBondContact O-N 2.9Å | ||
| 914 | V | 33.4 | Very low | 40.4 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.715 | 64% | 0.639 | S | S | * | * | trans | -72.6 | 79.8 | -176.7 | -174 | 0 | 0 | 0 | 0 | 110.6 | P912 H916 | P912-V914 PolarHBondContact O-N 3.45Å; P912-V914 VanDerWaalsContact O-N 3.16Å; V914-H916 VanDerWaalsContact C-N 3.35Å; V914-H916 PolarHBondContact O-N 2.87Å | ||
| 915 | H | 38.1 | Very low | 41.3 | Very low | 144 Ų | 144 | 111.7 Ų | 111.7 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | trans | -66 | 89.5 | 172.4 | -90.2 | -100.2 | 0 | 0 | 0 | 110.4 | M913 F917 | M913-H915 VanDerWaalsContact C-N 3.27Å; M913-H915 PolarHBondContact O-N 2.9Å; H915-F917 PolarHBondContact O-N 3.32Å; H915-F917 VanDerWaalsContact O-N 3.13Å | ||
| 916 | H | 44 | Very low | 42.3 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 47% | 0.468 | 60% | 0.6 | S | S | . | * | trans | -57.7 | 116.8 | 170.2 | -76.7 | -8.1 | 0 | 0 | 0 | 110.4 | S855 V914 W918 | S855-H916 WeakPolarHBondContact CB-CD2 3.33Å; V914-H916 VanDerWaalsContact C-N 3.35Å; V914-H916 PolarHBondContact O-N 2.87Å; H916-W918 PolarHBondContact O-N 3.26Å | ||
| 917 | F | 42.4 | Very low | 43.3 | Very low | 165 Ų | 165 | 98.1 Ų | 98.1 | 72% | 0.724 | 56% | 0.559 | S | S | * | * | trans | -62 | 104.3 | -179.4 | -84.5 | -109.4 | 0 | 0 | 0 | 111.5 | A856 H915 P919 | A856-F917 WeakPolarHBondContact CB-O 3.47Å; H915-F917 PolarHBondContact O-N 3.32Å; H915-F917 VanDerWaalsContact O-N 3.13Å; F917-P919 HydrophobicContact CD1-CG 4.44Å | ||
| 918 | W | 51.2 | Low | 44.3 | Very low | 35 Ų | 35 | 92.4 Ų | 92.4 | 13% | 0.133 | 53% | 0.526 | C | S | . | . | trans | -88.7 | -24.3 | 164.5 | -79 | 85.5 | 0 | 0 | 0 | 116.2 | L849 A856 A859 F888 F895 H916 | L849-W918 HydrophobicContact CD1-CH2 3.57Å; L849-W918 HydrophobicContact CD1-CZ2 4.18Å; A856-W918 HydrophobicContact CB-CB 4.25Å; A856-W918 HydrophobicContact CB-CD2 3.41Å; A856-W918 VanDerWaalsContact CB-CD2 3.41Å; A856-W918 HydrophobicContact CB-CE3 3.74Å; A856-W918 HydrophobicContact CB-CG 3.66Å; A856-W918 HydrophobicContact CB-CZ2 4.23Å; A856-W918 HydrophobicContact CB-CZ3 4.29Å; A859-W918 HydrophobicContact CB-CH2 3.42Å; A859-W918 VanDerWaalsContact CB-CH2 3.42Å; A859-W918 HydrophobicContact CB-CZ2 4.16Å; A859-W918 HydrophobicContact CB-CZ3 4.14Å; F888-W918 HydrophobicContact CD2-CZ3 4.26Å; F888-W918 HydrophobicContact CE2-CH2 4.37Å; F888-W918 AromaticContact CE2-CZ3 3.77Å; F888-W918 HydrophobicContact CE2-CZ3 3.77Å; F888-W918 HydrophobicContact CZ-CZ3 4.3Å; F895-W918 HydrophobicContact CD1-CB 4.42Å; F895-W918 HydrophobicContact CD2-CB 4.13Å; F895-W918 HydrophobicContact CD2-CG 4.18Å; F895-W918 HydrophobicContact CE2-CB 4.31Å; F895-W918 HydrophobicContact CE2-CD2 4.34Å; F895-W918 AromaticContact CE2-CG 3.97Å; F895-W918 HydrophobicContact CE2-CG 3.97Å; F895-W918 HydrophobicContact CG-CB 4.19Å; F895-W918 HydrophobicContact CZ-CG 4.31Å; H916-W918 PolarHBondContact O-N 3.26Å | ||
| 919 | P | 44.3 | Very low | 45.2 | Very low | 85 Ų | 85 | 86.3 Ų | 86.3 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 143 | -177.9 | 30.2 | -33.1 | 0 | 0 | 0 | 111.8 | F917 | F917-P919 HydrophobicContact CD1-CG 4.44Š|
| 920 | G | 51.6 | Low | 46.3 | Very low | 84 Ų | 84 | 83.9 Ų | 83.9 | 87% | 0.866 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -27 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 921 | I | 52.9 | Low | 47.4 | Very low | 76 Ų | 76 | 79 Ų | 79 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -78.7 | -31.4 | -167.8 | -46.7 | -178.6 | 0 | 0 | 0 | 113.4 | A856 P857 V860 | A856-I921 HydrophobicContact CB-CD1 4.09Å; P857-I921 HydrophobicContact CG-CD1 4.21Å; V860-I921 HydrophobicContact CB-CG2 4.34Å; V860-I921 HydrophobicContact CG1-CG2 4.24Å; V860-I921 HydrophobicContact CG2-CB 4.39Å; V860-I921 HydrophobicContact CG2-CG2 3.89Å |
| 922 | C | 53.5 | Low | 48.5 | Very low | 17 Ų | 17 | 75.5 Ų | 75.5 | 12% | 0.115 | 44% | 0.436 | C | S | . | . | trans | -152.8 | 119.3 | 170.8 | -90.9 | 0 | 0 | 0 | 0 | 110.5 | V860 F888 S926 | V860-C922 HydrophobicContact CG2-CB 4.33Å; F888-C922 HydrophobicContact CE1-CB 4.07Å; F888-C922 HydrophobicContact CZ-CB 4.07Å; C922-S926 WeakPolarHBondContact CA-OG 3.18Å | ||
| 923 | S | 54.1 | Low | 49.7 | Very low | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | trans | -77.4 | 157 | 165.2 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | A925 S926 V927 | S923-A925 PolarHBondContact O-N 3.08Å; S923-S926 PolarHBondContact N-OG 2.69Å; S923-S926 VanDerWaalsContact N-OG 3.12Å; S923-S926 WeakPolarHBondContact O-CA 3.28Å; S923-S926 WeakPolarHBondContact O-CB 3.49Å; S923-S926 PolarHBondContact O-N 3.16Å; S923-S926 PolarHBondContact O-OG 2.94Å; S923-S926 PolarHBondContact OG-N 3.12Å; S923-V927 PolarHBondContact O-N 3.44Å | ||
| 924 | P | 51.2 | Low | 50.9 | Low | 22 Ų | 22 | 71.7 Ų | 71.7 | 14% | 0.143 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -52.7 | -41 | 171.5 | -27.8 | 35.9 | 0 | 0 | 0 | 112.4 | V893 S926 V927 Y928 | V893-P924 HydrophobicContact CG2-CG 3.93Å; P924-S926 VanDerWaalsContact C-N 3.27Å; P924-S926 PolarHBondContact O-N 3.29Å; P924-V927 WeakPolarHBondContact O-CA 3.41Å; P924-V927 WeakPolarHBondContact O-CB 3.34Å; P924-V927 PolarHBondContact O-N 3.27Å; P924-Y928 VanDerWaalsContact O-CD2 3.32Å; P924-Y928 WeakPolarHBondContact O-CD2 3.47Å; P924-Y928 PolarHBondContact O-N 3.37Å; P924-Y928 VanDerWaalsContact O-N 3.1Å |
| 925 | A | 52.4 | Low | 51.9 | Low | 70 Ų | 70 | 72.1 Ų | 72.1 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.8 | -36.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S923 V927 Y928 A929 | S923-A925 PolarHBondContact O-N 3.08Å; A925-V927 VanDerWaalsContact C-N 3.27Å; A925-V927 PolarHBondContact O-N 3.16Å; A925-Y928 PolarHBondContact O-N 3.44Å; A925-A929 WeakPolarHBondContact O-CB 3.19Å; A925-A929 PolarHBondContact O-N 3.27Å |
| 926 | S | 56.3 | Low | 52.6 | Low | 28 Ų | 28 | 66.2 Ų | 66.2 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.4 | -15.5 | 175 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | C922 S923 P924 R930 | C922-S926 WeakPolarHBondContact CA-OG 3.18Å; S923-S926 PolarHBondContact N-OG 2.69Å; S923-S926 VanDerWaalsContact N-OG 3.12Å; S923-S926 WeakPolarHBondContact O-CA 3.28Å; S923-S926 WeakPolarHBondContact O-CB 3.49Å; S923-S926 PolarHBondContact O-N 3.16Å; S923-S926 PolarHBondContact O-OG 2.94Å; S923-S926 PolarHBondContact OG-N 3.12Å; P924-S926 VanDerWaalsContact C-N 3.27Å; P924-S926 PolarHBondContact O-N 3.29Å; S926-R930 WeakPolarHBondContact O-CG 3.42Å; S926-R930 PolarHBondContact O-NH1 3.21Å; S926-R930 VanDerWaalsContact O-NH1 3.17Å |
| 927 | V | 57 | Low | 53 | Low | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -81.2 | -46.4 | 169.5 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | L863 I885 F888 S923 P924 A925 A929 R930 L931 | L863-V927 HydrophobicContact CD1-CG1 4.39Å; L863-V927 HydrophobicContact CD2-CG1 4.42Å; L863-V927 HydrophobicContact CD2-CG2 4.06Å; I885-V927 HydrophobicContact CG2-CG1 4.02Å; F888-V927 HydrophobicContact CD1-CG2 4.35Å; F888-V927 HydrophobicContact CE1-CG2 4.26Å; S923-V927 PolarHBondContact O-N 3.44Å; P924-V927 WeakPolarHBondContact O-CA 3.41Å; P924-V927 WeakPolarHBondContact O-CB 3.34Å; P924-V927 PolarHBondContact O-N 3.27Å; A925-V927 VanDerWaalsContact C-N 3.27Å; A925-V927 PolarHBondContact O-N 3.16Å; V927-A929 PolarHBondContact O-N 3.4Å; V927-R930 PolarHBondContact O-N 2.89Å; V927-L931 HydrophobicContact CG1-CD1 4.44Å; V927-L931 PolarHBondContact O-N 2.98Å |
| 928 | Y | 55.6 | Low | 53.5 | Low | 43 Ų | 43 | 63.1 Ų | 63.1 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.9 | -77.2 | -79.6 | 0 | 0 | 0 | 112.9 | P924 A925 R930 L931 V932 L955 S958 L959 | P924-Y928 VanDerWaalsContact O-CD2 3.32Å; P924-Y928 WeakPolarHBondContact O-CD2 3.47Å; P924-Y928 PolarHBondContact O-N 3.37Å; P924-Y928 VanDerWaalsContact O-N 3.1Å; A925-Y928 PolarHBondContact O-N 3.44Å; Y928-R930 PolarHBondContact O-N 3.17Å; Y928-L931 HydrophobicContact CD1-CD1 4.46Å; Y928-L931 WeakPolarHBondContact O-CA 3.39Å; Y928-L931 WeakPolarHBondContact O-CB 3.35Å; Y928-L931 PolarHBondContact O-N 2.79Å; Y928-V932 WeakPolarHBondContact O-CG2 3.42Å; Y928-V932 PolarHBondContact O-N 3.37Å; Y928-L955 PolarHBondContact OH-O 3.29Å; Y928-S958 WeakPolarHBondContact CE2-O 3.48Å; Y928-S958 PolarHBondContact OH-OG 2.99Å; Y928-L959 HydrophobicContact CD1-CD2 3.71Å; Y928-L959 HydrophobicContact CD2-CD2 3.91Å; Y928-L959 HydrophobicContact CE1-CD2 3.51Å; Y928-L959 HydrophobicContact CE1-CG 3.89Å; Y928-L959 HydrophobicContact CE2-CD2 3.75Å; Y928-L959 HydrophobicContact CE2-CG 4.16Å; Y928-L959 HydrophobicContact CG-CD2 3.9Å; Y928-L959 PolarHBondContact OH-N 3.09Å |
| 929 | A | 54.9 | Low | 53.5 | Low | 71 Ų | 71 | 64.9 Ų | 64.9 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.7 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A925 V927 | A925-A929 WeakPolarHBondContact O-CB 3.19Å; A925-A929 PolarHBondContact O-N 3.27Å; V927-A929 PolarHBondContact O-N 3.4Å |
| 930 | R | 55.4 | Low | 53.8 | Low | 116 Ų | 116 | 62 Ų | 62 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -76.4 | -30 | 174.7 | -68.7 | 178.9 | 174.2 | 104.9 | -10.9 | 113.1 | L867 S926 V927 Y928 V932 | L867-R930 HydrophobicContact CD1-CB 3.84Å; S926-R930 WeakPolarHBondContact O-CG 3.42Å; S926-R930 PolarHBondContact O-NH1 3.21Å; S926-R930 VanDerWaalsContact O-NH1 3.17Å; V927-R930 PolarHBondContact O-N 2.89Å; Y928-R930 PolarHBondContact O-N 3.17Å; R930-V932 VanDerWaalsContact C-N 3.33Å |
| 931 | L | 55.5 | Low | 53.9 | Low | 30 Ų | 30 | 60.6 Ų | 60.6 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.4 | -24.3 | 172.9 | -74.7 | 166.4 | 0 | 0 | 0 | 113.2 | L867 V927 Y928 N933 V936 | L867-L931 HydrophobicContact CD2-CD2 3.41Å; L867-L931 VanDerWaalsContact CD2-CD2 3.41Å; L867-L931 HydrophobicContact CD2-CG 3.64Å; V927-L931 HydrophobicContact CG1-CD1 4.44Å; V927-L931 PolarHBondContact O-N 2.98Å; Y928-L931 HydrophobicContact CD1-CD1 4.46Å; Y928-L931 WeakPolarHBondContact O-CA 3.39Å; Y928-L931 WeakPolarHBondContact O-CB 3.35Å; Y928-L931 PolarHBondContact O-N 2.79Å; L931-N933 VanDerWaalsContact C-N 3.33Å; L931-N933 PolarHBondContact O-N 3.01Å; L931-V936 VanDerWaalsContact O-CB 3.3Å; L931-V936 WeakPolarHBondContact O-CB 3.46Å; L931-V936 WeakPolarHBondContact O-CG1 3.41Å |
| 932 | V | 54.9 | Low | 53.6 | Low | 48 Ų | 48 | 66.5 Ų | 66.5 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 28.3 | -178.7 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | Y928 R930 K937 | Y928-V932 WeakPolarHBondContact O-CG2 3.42Å; Y928-V932 PolarHBondContact O-N 3.37Å; R930-V932 VanDerWaalsContact C-N 3.33Å; V932-K937 HydrophobicContact CG1-CD 4.42Å |
| 933 | N | 55.2 | Low | 53.1 | Low | 71 Ų | 71 | 73.8 Ų | 73.8 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | trans | -58.2 | 144.5 | 167.5 | -179.4 | 3.8 | 0 | 0 | 0 | 110.6 | L931 E935 V936 K937 | L931-N933 VanDerWaalsContact C-N 3.33Å; L931-N933 PolarHBondContact O-N 3.01Å; N933-E935 PolarHBondContact ND2-OE2 3.5Å; N933-E935 PolarHBondContact O-N 2.58Å; N933-E935 VanDerWaalsContact O-N 3.14Å; N933-E935 PolarHBondContact OD1-N 3.36Å; N933-V936 HydrophobicContact CB-CG2 4.45Å; N933-V936 PolarHBondContact O-N 3.43Å; N933-K937 PolarHBondContact O-N 2.78Å | ||
| 934 | I | 56 | Low | 52.6 | Low | 114 Ų | 114 | 74.7 Ų | 74.7 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -49.9 | -36.7 | 174.6 | -73.7 | 173.8 | 0 | 0 | 0 | 111.8 | K937 K938 | I934-K937 PolarHBondContact O-N 3.11Å; I934-K938 HydrophobicContact CG2-CD 3.81Å; I934-K938 HydrophobicContact CG2-CG 4.4Å; I934-K938 VanDerWaalsContact O-CB 3.29Å; I934-K938 WeakPolarHBondContact O-CB 3.49Å; I934-K938 VanDerWaalsContact O-CG 3.26Å; I934-K938 WeakPolarHBondContact O-CG 3.44Å; I934-K938 PolarHBondContact O-N 3.06Å |
| 935 | E | 52.5 | Low | 52.4 | Low | 128 Ų | 128 | 74.5 Ų | 74.5 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.2 | -47.5 | 177.1 | -63.6 | 175.4 | 122 | 0 | 0 | 111.7 | N933 K937 K938 T939 | N933-E935 PolarHBondContact ND2-OE2 3.5Å; N933-E935 PolarHBondContact O-N 2.58Å; N933-E935 VanDerWaalsContact O-N 3.14Å; N933-E935 PolarHBondContact OD1-N 3.36Å; E935-K937 VanDerWaalsContact C-N 3.34Å; E935-K937 PolarHBondContact O-N 3.46Å; E935-K938 CarbonylContact O-C 3.57Å; E935-K938 PolarHBondContact O-N 2.85Å; E935-T939 WeakPolarHBondContact O-CB 3.48Å; E935-T939 WeakPolarHBondContact O-CG2 3.34Å; E935-T939 PolarHBondContact O-N 2.86Å; E935-T939 PolarHBondContact O-OG1 2.93Å |
| 936 | V | 53.4 | Low | 51.8 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | L931 N933 K938 T939 I940 F941 | L931-V936 VanDerWaalsContact O-CB 3.3Å; L931-V936 WeakPolarHBondContact O-CB 3.46Å; L931-V936 WeakPolarHBondContact O-CG1 3.41Å; N933-V936 HydrophobicContact CB-CG2 4.45Å; N933-V936 PolarHBondContact O-N 3.43Å; V936-K938 VanDerWaalsContact C-N 3.27Å; V936-K938 PolarHBondContact O-N 3.34Å; V936-T939 PolarHBondContact O-N 2.87Å; V936-I940 HydrophobicContact CG1-CB 4.05Å; V936-I940 HydrophobicContact CG1-CD1 3.92Å; V936-I940 HydrophobicContact CG1-CG1 4.09Å; V936-I940 HydrophobicContact CG2-CD1 4.41Å; V936-I940 PolarHBondContact O-N 2.78Å; V936-F941 HydrophobicContact CG1-CD2 4.1Å; V936-F941 HydrophobicContact CG1-CE2 3.89Å; V936-F941 PolarHBondContact O-N 3.13Å |
| 937 | K | 51.9 | Low | 51.1 | Low | 69 Ų | 69 | 83.3 Ų | 83.3 | 30% | 0.3 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -26.4 | 176.4 | -151.4 | 164.8 | -172.5 | 166.8 | 0 | 112.9 | V932 N933 I934 E935 N1052 S1055 | V932-K937 HydrophobicContact CG1-CD 4.42Å; N933-K937 PolarHBondContact O-N 2.78Å; I934-K937 PolarHBondContact O-N 3.11Å; E935-K937 VanDerWaalsContact C-N 3.34Å; E935-K937 PolarHBondContact O-N 3.46Å; K937-N1052 PolarHBondContact NZ-O 3.05Å; K937-S1055 WeakPolarHBondContact CE-OG 3.29Å |
| 938 | K | 53.1 | Low | 50.2 | Low | 133 Ų | 133 | 85.1 Ų | 85.1 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -89.8 | -25.1 | 174.5 | -76.8 | 174.3 | 178.5 | 173.6 | 0 | 114.7 | I934 E935 V936 R942 | I934-K938 HydrophobicContact CG2-CD 3.81Å; I934-K938 HydrophobicContact CG2-CG 4.4Å; I934-K938 VanDerWaalsContact O-CB 3.29Å; I934-K938 WeakPolarHBondContact O-CB 3.49Å; I934-K938 VanDerWaalsContact O-CG 3.26Å; I934-K938 WeakPolarHBondContact O-CG 3.44Å; I934-K938 PolarHBondContact O-N 3.06Å; E935-K938 CarbonylContact O-C 3.57Å; E935-K938 PolarHBondContact O-N 2.85Å; V936-K938 VanDerWaalsContact C-N 3.27Å; V936-K938 PolarHBondContact O-N 3.34Å; K938-R942 WeakPolarHBondContact O-CD 3.41Å |
| 939 | T | 52.8 | Low | 49.6 | Very low | 71 Ų | 71 | 85.7 Ų | 85.7 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -112.2 | -46.9 | -169.4 | 56 | 0 | 0 | 0 | 0 | 114.3 | E935 V936 | E935-T939 WeakPolarHBondContact O-CB 3.48Å; E935-T939 WeakPolarHBondContact O-CG2 3.34Å; E935-T939 PolarHBondContact O-N 2.86Å; E935-T939 PolarHBondContact O-OG1 2.93Å; V936-T939 PolarHBondContact O-N 2.87Å |
| 940 | I | 50.5 | Low | 49 | Very low | 26 Ų | 26 | 86 Ų | 86 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -54 | -174.5 | -56.6 | -168 | 0 | 0 | 0 | 109.9 | T870 A871 V936 R942 R943 F949 | T870-I940 WeakPolarHBondContact O-CD1 3.43Å; T870-I940 WeakPolarHBondContact OG1-CD1 3.48Å; A871-I940 HydrophobicContact CB-CD1 4.4Å; V936-I940 HydrophobicContact CG1-CB 4.05Å; V936-I940 HydrophobicContact CG1-CD1 3.92Å; V936-I940 HydrophobicContact CG1-CG1 4.09Å; V936-I940 HydrophobicContact CG2-CD1 4.41Å; V936-I940 PolarHBondContact O-N 2.78Å; I940-R942 PolarHBondContact O-N 3.01Å; I940-R942 VanDerWaalsContact O-N 3.14Å; I940-R943 PolarHBondContact O-N 2.87Å; I940-F949 HydrophobicContact CG2-CE2 4.03Å; I940-F949 HydrophobicContact CG2-CZ 4.09Å |
| 941 | F | 52.7 | Low | 48.5 | Very low | 53 Ų | 53 | 84 Ų | 84 | 23% | 0.232 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.2 | -177.8 | -67.7 | -72 | 0 | 0 | 0 | 115 | V936 Y1056 N1059 | V936-F941 HydrophobicContact CG1-CD2 4.1Å; V936-F941 HydrophobicContact CG1-CE2 3.89Å; V936-F941 PolarHBondContact O-N 3.13Å; F941-Y1056 HydrophobicContact CD1-CD2 4.34Å; F941-Y1056 HydrophobicContact CE1-CD2 4.33Å; F941-N1059 PolarHBondContact O-ND2 2.86Å |
| 942 | R | 46.7 | Very low | 48 | Very low | 201 Ų | 201 | 85.1 Ų | 85.1 | 76% | 0.758 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -12.5 | 176.6 | -103.8 | -168.7 | 174.8 | -177.4 | -3 | 114.6 | K938 I940 | K938-R942 WeakPolarHBondContact O-CD 3.41Å; I940-R942 PolarHBondContact O-N 3.01Å; I940-R942 VanDerWaalsContact O-N 3.14Å |
| 943 | R | 43 | Very low | 47.6 | Very low | 169 Ų | 169 | 86.2 Ų | 86.2 | 64% | 0.638 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -91.4 | 148.8 | 172.8 | -69.7 | -178.7 | 173.1 | 178.9 | -1.8 | 109.2 | I940 V945 | I940-R943 PolarHBondContact O-N 2.87Å; R943-V945 PolarHBondContact O-N 3.15Å |
| 944 | P | 43.2 | Very low | 47.2 | Very low | 84 Ų | 84 | 84 Ų | 84 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | trans | -60.2 | 108.7 | 179.4 | 23.6 | -33.2 | 0 | 0 | 0 | 110.5 | N946 | P944-N946 PolarHBondContact O-N 2.92Š| ||
| 945 | V | 46.4 | Very low | 46.9 | Very low | 17 Ų | 17 | 80.4 Ų | 80.4 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -65.2 | -28.6 | -167 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | R943 F947 C948 F949 Y1056 | R943-V945 PolarHBondContact O-N 3.15Å; V945-F947 PolarHBondContact O-N 2.92Å; V945-C948 PolarHBondContact O-N 2.92Å; V945-F949 HydrophobicContact CG1-CB 4.27Å; V945-F949 HydrophobicContact CG1-CD2 3.75Å; V945-F949 HydrophobicContact CG1-CG 4.33Å; V945-F949 PolarHBondContact O-N 2.71Å; V945-Y1056 HydrophobicContact CG1-CE2 4.39Å |
| 946 | N | 41.7 | Very low | 47 | Very low | 104 Ų | 104 | 76.2 Ų | 76.2 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -52.1 | -13.9 | -173.2 | -55.7 | 13.5 | 0 | 0 | 0 | 116.4 | P944 | P944-N946 PolarHBondContact O-N 2.92Š|
| 947 | F | 39.9 | Very low | 46.9 | Very low | 179 Ų | 179 | 82.7 Ų | 82.7 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -117 | -4.9 | 177.2 | -68.4 | -78.7 | 0 | 0 | 0 | 114.6 | V945 | V945-F947 PolarHBondContact O-N 2.92Š|
| 948 | C | 39.1 | Very low | 46.7 | Very low | 41 Ų | 41 | 80.2 Ų | 80.2 | 28% | 0.277 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -22 | -172.8 | -79.9 | 0 | 0 | 0 | 0 | 115 | R878 V945 | R878-C948 PolarHBondContact NH2-SG 2.88Å; R878-C948 VanDerWaalsContact NH2-SG 3.4Å; V945-C948 PolarHBondContact O-N 2.92Å |
| 949 | F | 42.6 | Very low | 46.7 | Very low | 56 Ų | 56 | 74.7 Ų | 74.7 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | trans | -121 | 103.9 | 178.2 | -72.4 | -98.5 | 0 | 0 | 0 | 110.4 | V882 I940 V945 N951 D952 L955 | V882-F949 HydrophobicContact CG2-CE1 4.19Å; I940-F949 HydrophobicContact CG2-CE2 4.03Å; I940-F949 HydrophobicContact CG2-CZ 4.09Å; V945-F949 HydrophobicContact CG1-CB 4.27Å; V945-F949 HydrophobicContact CG1-CD2 3.75Å; V945-F949 HydrophobicContact CG1-CG 4.33Å; V945-F949 PolarHBondContact O-N 2.71Å; F949-N951 PolarHBondContact O-N 2.82Å; F949-D952 WeakPolarHBondContact CB-OD1 3.46Å; F949-L955 HydrophobicContact CD1-CD1 3.72Å; F949-L955 HydrophobicContact CE1-CD1 3.62Å | ||
| 950 | T | 42.4 | Very low | 46.7 | Very low | 76 Ų | 76 | 76.2 Ų | 76.2 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -86.2 | 12.5 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | Y1084 | T950-Y1084 HydrophobicContact CG2-CE1 3.8Š|
| 951 | N | 45.6 | Very low | 47.1 | Very low | 75 Ų | 75 | 77.1 Ų | 77.1 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | trans | -148.6 | 31.2 | -166 | -120.6 | -9.8 | 0 | 0 | 0 | 112.9 | F949 A953 V954 L955 | F949-N951 PolarHBondContact O-N 2.82Å; N951-A953 PolarHBondContact O-N 2.75Å; N951-A953 VanDerWaalsContact O-N 3.13Å; N951-V954 HydrophobicContact CB-CG2 4.43Å; N951-V954 PolarHBondContact O-N 2.88Å; N951-V954 VanDerWaalsContact OD1-CG2 3.28Å; N951-V954 WeakPolarHBondContact OD1-CG2 3.29Å; N951-L955 PolarHBondContact O-N 3.06Å | ||
| 952 | D | 43.9 | Very low | 47.5 | Very low | 54 Ų | 54 | 77.1 Ų | 77.1 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -49 | -39.2 | 177.4 | -74.5 | -4.5 | 0 | 0 | 0 | 112.4 | F949 V954 L955 L956 Y1056 | F949-D952 WeakPolarHBondContact CB-OD1 3.46Å; D952-V954 VanDerWaalsContact C-N 3.29Å; D952-V954 PolarHBondContact O-N 3.25Å; D952-L955 PolarHBondContact O-N 2.91Å; D952-L956 WeakPolarHBondContact O-CB 3.5Å; D952-L956 WeakPolarHBondContact O-CG 3.41Å; D952-L956 PolarHBondContact O-N 2.99Å; D952-Y1056 PolarHBondContact OD2-OH 3.26Å |
| 953 | A | 46.7 | Very low | 48.4 | Very low | 71 Ų | 71 | 68.1 Ų | 68.1 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -53.3 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N951 L956 H957 | N951-A953 PolarHBondContact O-N 2.75Å; N951-A953 VanDerWaalsContact O-N 3.13Å; A953-L956 PolarHBondContact O-N 3.21Å; A953-H957 WeakPolarHBondContact O-CB 3.38Å; A953-H957 PolarHBondContact O-N 3.01Å |
| 954 | V | 47.4 | Very low | 49.7 | Very low | 25 Ų | 25 | 61.5 Ų | 61.5 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.4 | -36 | -174.9 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | T886 N951 D952 L956 S958 | T886-V954 HydrophobicContact CG2-CG1 3.46Å; T886-V954 VanDerWaalsContact CG2-CG1 3.46Å; N951-V954 HydrophobicContact CB-CG2 4.43Å; N951-V954 PolarHBondContact O-N 2.88Å; N951-V954 VanDerWaalsContact OD1-CG2 3.28Å; N951-V954 WeakPolarHBondContact OD1-CG2 3.29Å; D952-V954 VanDerWaalsContact C-N 3.29Å; D952-V954 PolarHBondContact O-N 3.25Å; V954-L956 VanDerWaalsContact C-N 3.35Å; V954-S958 PolarHBondContact O-N 2.92Å; V954-S958 PolarHBondContact O-OG 2.81Å |
| 955 | L | 50.4 | Low | 50.8 | Low | 37 Ų | 37 | 66.3 Ų | 66.3 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -78.3 | -17.7 | 176.3 | -79.2 | 167.2 | 0 | 0 | 0 | 113.4 | V882 Y928 F949 N951 D952 | V882-L955 HydrophobicContact CG1-CD1 4.23Å; Y928-L955 PolarHBondContact OH-O 3.29Å; F949-L955 HydrophobicContact CD1-CD1 3.72Å; F949-L955 HydrophobicContact CE1-CD1 3.62Å; N951-L955 PolarHBondContact O-N 3.06Å; D952-L955 PolarHBondContact O-N 2.91Å |
| 956 | L | 53.3 | Low | 52 | Low | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -88.9 | -33.7 | 170 | -68.7 | 169.8 | 0 | 0 | 0 | 112.2 | D952 A953 V954 S958 L959 L968 L1053 | D952-L956 WeakPolarHBondContact O-CB 3.5Å; D952-L956 WeakPolarHBondContact O-CG 3.41Å; D952-L956 PolarHBondContact O-N 2.99Å; A953-L956 PolarHBondContact O-N 3.21Å; V954-L956 VanDerWaalsContact C-N 3.35Å; L956-S958 VanDerWaalsContact C-N 3.35Å; L956-L959 HydrophobicContact CD2-CD1 4.37Å; L956-L959 WeakPolarHBondContact O-CB 3.42Å; L956-L959 PolarHBondContact O-N 3.09Å; L956-L968 HydrophobicContact CD1-CD1 4.09Å; L956-L968 HydrophobicContact CD2-CD1 4.17Å; L956-L1053 HydrophobicContact CD2-CD1 4.21Å |
| 957 | H | 51.1 | Low | 53.6 | Low | 154 Ų | 154 | 63.8 Ų | 63.8 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -81.9 | -9.8 | -179.2 | -153 | 71.4 | 0 | 0 | 0 | 113.9 | A953 | A953-H957 WeakPolarHBondContact O-CB 3.38Å; A953-H957 PolarHBondContact O-N 3.01Å |
| 958 | S | 48 | Very low | 55.1 | Low | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3 | 170.4 | 39.6 | 0 | 0 | 0 | 0 | 114.1 | Y928 V954 L956 | Y928-S958 WeakPolarHBondContact CE2-O 3.48Å; Y928-S958 PolarHBondContact OH-OG 2.99Å; V954-S958 PolarHBondContact O-N 2.92Å; V954-S958 PolarHBondContact O-OG 2.81Å; L956-S958 VanDerWaalsContact C-N 3.35Å |
| 959 | L | 53 | Low | 56.5 | Low | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -65.1 | 138.5 | 161.8 | -70.7 | 167.1 | 0 | 0 | 0 | 108.1 | Y928 L956 P961 P962 I963 L1053 | Y928-L959 HydrophobicContact CD1-CD2 3.71Å; Y928-L959 HydrophobicContact CD2-CD2 3.91Å; Y928-L959 HydrophobicContact CE1-CD2 3.51Å; Y928-L959 HydrophobicContact CE1-CG 3.89Å; Y928-L959 HydrophobicContact CE2-CD2 3.75Å; Y928-L959 HydrophobicContact CE2-CG 4.16Å; Y928-L959 HydrophobicContact CG-CD2 3.9Å; Y928-L959 PolarHBondContact OH-N 3.09Å; L956-L959 HydrophobicContact CD2-CD1 4.37Å; L956-L959 WeakPolarHBondContact O-CB 3.42Å; L956-L959 PolarHBondContact O-N 3.09Å; L959-P961 CarbonylContact C-O 3.57Å; L959-P961 CarbonylContact O-C 3.42Å; L959-P961 VanDerWaalsContact O-C 3.29Å; L959-P962 VanDerWaalsContact O-CA 3.25Å; L959-P962 WeakPolarHBondContact O-CA 3.23Å; L959-P962 WeakPolarHBondContact O-CB 3.46Å; L959-P962 WeakPolarHBondContact O-CD 3.17Å; L959-I963 HydrophobicContact CD1-CD1 3.75Å; L959-I963 HydrophobicContact CD1-CG1 3.93Å; L959-L1053 HydrophobicContact CD1-CD1 4.35Å |
| 960 | N | 52.5 | Low | 57.9 | Low | 103 Ų | 103 | 56.3 Ų | 56.3 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -129 | 115.4 | 176.7 | -167.1 | -8.9 | 0 | 0 | 0 | 110.3 | ||
| 961 | P | 59 | Low | 59.3 | Low | 44 Ų | 44 | 53 Ų | 53 | 29% | 0.286 | 29% | 0.287 | S | S | . | . | S | Bend | cis | -60.6 | 152.6 | -11.3 | 27.5 | -36.6 | 0 | 0 | 0 | 112.2 | L959 L1045 Q1049 | L959-P961 CarbonylContact C-O 3.57Å; L959-P961 CarbonylContact O-C 3.42Å; L959-P961 VanDerWaalsContact O-C 3.29Å; P961-L1045 HydrophobicContact CG-CD1 4.43Å; P961-L1045 HydrophobicContact CG-CD2 4.05Å; P961-Q1049 PolarHBondContact O-NE2 2.82Å; P961-Q1049 PolarHBondContact O-OE1 3.26Å |
| 962 | P | 61.6 | Low | 60.2 | Low | 53 Ų | 53 | 50.9 Ų | 50.9 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 139.5 | 176.2 | 30.1 | -34 | 0 | 0 | 0 | 110.8 | L959 S964 M1046 | L959-P962 VanDerWaalsContact O-CA 3.25Å; L959-P962 WeakPolarHBondContact O-CA 3.23Å; L959-P962 WeakPolarHBondContact O-CB 3.46Å; L959-P962 WeakPolarHBondContact O-CD 3.17Å; P962-S964 PolarHBondContact O-N 2.6Å; P962-M1046 WeakPolarHBondContact O-CE 3.39Å |
| 963 | I | 66.8 | Low | 61.2 | Low | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.3 | 174.1 | -57.1 | 168.9 | 0 | 0 | 0 | 108.4 | L959 R965 V967 L968 Q1049 L1050 L1053 | L959-I963 HydrophobicContact CD1-CD1 3.75Å; L959-I963 HydrophobicContact CD1-CG1 3.93Å; I963-R965 PolarHBondContact O-N 3.29Å; I963-V967 HydrophobicContact CG2-CB 4.47Å; I963-V967 HydrophobicContact CG2-CG1 4.12Å; I963-L968 HydrophobicContact CB-CD1 4.18Å; I963-L968 HydrophobicContact CG2-CD1 3.87Å; I963-L968 HydrophobicContact CG2-CG 3.9Å; I963-Q1049 HydrophobicContact CD1-CB 3.98Å; I963-Q1049 HydrophobicContact CG1-CB 4.21Å; I963-L1050 HydrophobicContact CD1-CD2 4.1Å; I963-L1050 HydrophobicContact CD1-CG 4.42Å; I963-L1050 HydrophobicContact CG2-CD2 4.29Å; I963-L1053 HydrophobicContact CD1-CD1 3.51Å |
| 964 | S | 68.8 | Low | 61.7 | Low | 30 Ų | 30 | 52.9 Ų | 52.9 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 134.2 | 178.1 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | P962 T966 V967 L968 L1040 | P962-S964 PolarHBondContact O-N 2.6Å; S964-T966 PolarHBondContact O-N 3.48Å; S964-T966 PolarHBondContact OG-OG1 2.78Å; S964-V967 PolarHBondContact O-N 2.83Å; S964-V967 VanDerWaalsContact OG-CB 3.32Å; S964-V967 WeakPolarHBondContact OG-CB 3.38Å; S964-V967 WeakPolarHBondContact OG-CG2 3.48Å; S964-V967 PolarHBondContact OG-N 2.98Å; S964-L968 PolarHBondContact O-N 2.75Å; S964-L968 VanDerWaalsContact O-N 3.16Å; S964-L1040 PolarHBondContact OG-O 2.8Å |
| 965 | R | 65.9 | Low | 61.8 | Low | 185 Ų | 185 | 54 Ų | 54 | 70% | 0.698 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.3 | -35.4 | 179.2 | 178.9 | 177.6 | 167.7 | 179.3 | -4.4 | 111.3 | I963 L968 E969 | I963-R965 PolarHBondContact O-N 3.29Å; R965-L968 PolarHBondContact O-N 3.04Å; R965-E969 HydrophobicContact CG-CG 4.29Å; R965-E969 IonicContact CZ-OE1 3.43Å; R965-E969 IonicContact NE-OE1 3Å; R965-E969 PolarHBondContact NE-OE1 2.93Å; R965-E969 IonicContact NE-OE2 3.45Å; R965-E969 PolarHBondContact NE-OE2 2.89Å; R965-E969 IonicContact NH2-OE1 2.7Å; R965-E969 PolarHBondContact NH2-OE1 2.97Å; R965-E969 WeakPolarHBondContact O-CB 3.42Å; R965-E969 WeakPolarHBondContact O-CG 3.49Å; R965-E969 PolarHBondContact O-N 2.81Å |
| 966 | T | 72.3 | Confident | 61.6 | Low | 69 Ų | 69 | 59.7 Ų | 59.7 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.2 | 44 | 0 | 0 | 0 | 0 | 113.6 | S964 A970 | S964-T966 PolarHBondContact O-N 3.48Å; S964-T966 PolarHBondContact OG-OG1 2.78Å; T966-A970 WeakPolarHBondContact O-CB 3.08Å; T966-A970 PolarHBondContact O-N 2.98Å |
| 967 | V | 74.9 | Confident | 60.7 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 173 | 158.8 | 0 | 0 | 0 | 0 | 111.1 | I963 S964 A970 L971 L1037 L1040 L1042 L1050 | I963-V967 HydrophobicContact CG2-CB 4.47Å; I963-V967 HydrophobicContact CG2-CG1 4.12Å; S964-V967 PolarHBondContact O-N 2.83Å; S964-V967 VanDerWaalsContact OG-CB 3.32Å; S964-V967 WeakPolarHBondContact OG-CB 3.38Å; S964-V967 WeakPolarHBondContact OG-CG2 3.48Å; S964-V967 PolarHBondContact OG-N 2.98Å; V967-A970 PolarHBondContact O-N 2.98Å; V967-L971 HydrophobicContact CG1-CD1 4.07Å; V967-L971 WeakPolarHBondContact O-CB 3.39Å; V967-L971 PolarHBondContact O-N 2.96Å; V967-L1037 HydrophobicContact CB-CD2 4.45Å; V967-L1037 HydrophobicContact CG1-CD2 4.28Å; V967-L1037 HydrophobicContact CG2-CD2 4.32Å; V967-L1040 HydrophobicContact CG2-CB 3.89Å; V967-L1042 HydrophobicContact CG1-CD1 4.02Å; V967-L1042 HydrophobicContact CG2-CB 4.12Å; V967-L1050 HydrophobicContact CG1-CD1 3.99Å |
| 968 | L | 71.7 | Confident | 60 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.6 | -98.1 | 162.5 | 0 | 0 | 0 | 112.6 | L956 I963 S964 R965 L971 A972 | L956-L968 HydrophobicContact CD1-CD1 4.09Å; L956-L968 HydrophobicContact CD2-CD1 4.17Å; I963-L968 HydrophobicContact CB-CD1 4.18Å; I963-L968 HydrophobicContact CG2-CD1 3.87Å; I963-L968 HydrophobicContact CG2-CG 3.9Å; S964-L968 PolarHBondContact O-N 2.75Å; S964-L968 VanDerWaalsContact O-N 3.16Å; R965-L968 PolarHBondContact O-N 3.04Å; L968-L971 PolarHBondContact O-N 3.15Å; L968-A972 WeakPolarHBondContact O-CB 3.2Å; L968-A972 PolarHBondContact O-N 2.85Å |
| 969 | E | 68.3 | Low | 59.3 | Low | 73 Ų | 73 | 66.2 Ų | 66.2 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 177.2 | -73.2 | 174.4 | 156.6 | 0 | 0 | 111.7 | R965 L971 A972 F973 | R965-E969 HydrophobicContact CG-CG 4.29Å; R965-E969 IonicContact CZ-OE1 3.43Å; R965-E969 IonicContact NE-OE1 3Å; R965-E969 PolarHBondContact NE-OE1 2.93Å; R965-E969 IonicContact NE-OE2 3.45Å; R965-E969 PolarHBondContact NE-OE2 2.89Å; R965-E969 IonicContact NH2-OE1 2.7Å; R965-E969 PolarHBondContact NH2-OE1 2.97Å; R965-E969 WeakPolarHBondContact O-CB 3.42Å; R965-E969 WeakPolarHBondContact O-CG 3.49Å; R965-E969 PolarHBondContact O-N 2.81Å; E969-L971 VanDerWaalsContact C-N 3.33Å; E969-L971 PolarHBondContact O-N 3.36Å; E969-A972 PolarHBondContact O-N 3.23Å; E969-F973 HydrophobicContact CB-CD2 4.2Å; E969-F973 HydrophobicContact CG-CE2 4.36Å; E969-F973 WeakPolarHBondContact O-CB 3.36Å; E969-F973 WeakPolarHBondContact O-CD2 3.45Å; E969-F973 PolarHBondContact O-N 2.8Å |
| 970 | A | 72 | Confident | 58.2 | Low | 25 Ų | 25 | 70 Ų | 70 | 21% | 0.207 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T966 V967 M974 L1037 L1040 | T966-A970 WeakPolarHBondContact O-CB 3.08Å; T966-A970 PolarHBondContact O-N 2.98Å; V967-A970 PolarHBondContact O-N 2.98Å; A970-M974 VanDerWaalsContact O-CG 3.23Å; A970-M974 WeakPolarHBondContact O-CG 3.37Å; A970-L1037 HydrophobicContact CB-CD2 3.69Å; A970-L1040 HydrophobicContact CB-CD1 3.71Å |
| 971 | L | 71.9 | Confident | 57 | Low | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -76.2 | -34.5 | 173 | -79 | 162.9 | 0 | 0 | 0 | 113.1 | V967 L968 E969 M974 I1000 L1037 L1050 | V967-L971 HydrophobicContact CG1-CD1 4.07Å; V967-L971 WeakPolarHBondContact O-CB 3.39Å; V967-L971 PolarHBondContact O-N 2.96Å; L968-L971 PolarHBondContact O-N 3.15Å; E969-L971 VanDerWaalsContact C-N 3.33Å; E969-L971 PolarHBondContact O-N 3.36Å; L971-M974 HydrophobicContact CD2-SD 4.49Å; L971-M974 WeakPolarHBondContact O-CG 3.29Å; L971-M974 VanDerWaalsContact O-SD 3.39Å; L971-I1000 HydrophobicContact CD2-CG2 4.1Å; L971-L1037 HydrophobicContact CD1-CD1 4.33Å; L971-L1037 HydrophobicContact CD1-CD2 4.45Å; L971-L1037 HydrophobicContact CD2-CD1 3.76Å; L971-L1037 HydrophobicContact CG-CD1 3.94Å; L971-L1037 HydrophobicContact CG-CD2 4.01Å; L971-L1050 HydrophobicContact CD1-CD1 3.69Å; L971-L1050 HydrophobicContact CD1-CD2 3.94Å; L971-L1050 HydrophobicContact CD1-CG 4.43Å |
| 972 | A | 65.4 | Low | 55.8 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76.3 | -33.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L968 E969 | L968-A972 WeakPolarHBondContact O-CB 3.2Å; L968-A972 PolarHBondContact O-N 2.85Å; E969-A972 PolarHBondContact O-N 3.23Å |
| 973 | F | 63.6 | Low | 54.1 | Low | 137 Ų | 137 | 86 Ų | 86 | 60% | 0.601 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 40.2 | -171.5 | -60.5 | -70.9 | 0 | 0 | 0 | 113.7 | E969 S975 | E969-F973 HydrophobicContact CB-CD2 4.2Å; E969-F973 HydrophobicContact CG-CE2 4.36Å; E969-F973 WeakPolarHBondContact O-CB 3.36Å; E969-F973 WeakPolarHBondContact O-CD2 3.45Å; E969-F973 PolarHBondContact O-N 2.8Å; F973-S975 PolarHBondContact O-N 2.84Å |
| 974 | M | 58.6 | Low | 52.3 | Low | 29 Ų | 29 | 92.8 Ų | 92.8 | 14% | 0.143 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 30 | -175.9 | -70.5 | 171.4 | 46.9 | 0 | 0 | 117.2 | A970 L971 R996 L997 I1000 F1029 L1033 | A970-M974 VanDerWaalsContact O-CG 3.23Å; A970-M974 WeakPolarHBondContact O-CG 3.37Å; L971-M974 HydrophobicContact CD2-SD 4.49Å; L971-M974 WeakPolarHBondContact O-CG 3.29Å; L971-M974 VanDerWaalsContact O-SD 3.39Å; M974-R996 HydrophobicContact CE-CB 3.82Å; M974-L997 HydrophobicContact SD-CD1 4.11Å; M974-I1000 HydrophobicContact CE-CD1 3.43Å; M974-I1000 VanDerWaalsContact CE-CD1 3.43Å; M974-I1000 HydrophobicContact SD-CD1 3.84Å; M974-F1029 HydrophobicContact CE-CE1 4.27Å; M974-L1033 HydrophobicContact CE-CD2 3.69Å; M974-L1033 HydrophobicContact CG-CD2 4.01Å; M974-L1033 HydrophobicContact SD-CD2 3.95Å |
| 975 | S | 47.9 | Very low | 50.5 | Low | 48 Ų | 48 | 97.2 Ų | 97.2 | 34% | 0.336 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.2 | 15.3 | -174.7 | -52.9 | 0 | 0 | 0 | 0 | 117 | F973 R993 | F973-S975 PolarHBondContact O-N 2.84Å; S975-R993 PolarHBondContact OG-NE 3.39Å |
| 976 | Y | 46.2 | Very low | 48.8 | Very low | 158 Ų | 158 | 93.5 Ų | 93.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -130 | 35.4 | -176.9 | -70.4 | -76.4 | 0 | 0 | 0 | 114.3 | ||
| 977 | S | 35.9 | Very low | 47 | Very low | 86 Ų | 86 | 97.6 Ų | 97.6 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | trans | -142.3 | 46.5 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | K1036 | S977-K1036 PolarHBondContact OG-NZ 3.5Š| ||
| 978 | S | 35.5 | Very low | 45.4 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 77% | 0.769 | 57% | 0.569 | S | S | * | * | trans | -102.2 | 135.1 | 163.9 | 44.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 979 | N | 33.1 | Very low | 44.4 | Very low | 153 Ų | 153 | 105.5 Ų | 105.5 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | trans | -70.5 | 147.1 | 179.8 | -75.9 | -16.2 | 0 | 0 | 0 | 111.7 | ||||
| 980 | S | 30.8 | Very low | 43.7 | Very low | 96 Ų | 96 | 109 Ų | 109 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 11 | 123.5 | 157 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | ||
| 981 | N | 27 | Very low | 43.1 | Very low | 150 Ų | 150 | 110.8 Ų | 110.8 | 80% | 0.802 | 61% | 0.61 | S | S | * | * | trans | 72.3 | 75.5 | 146.7 | -53.4 | -12.5 | 0 | 0 | 0 | 118.5 | ||||
| 982 | Q | 32.7 | Very low | 42.7 | Very low | 190 Ų | 190 | 112 Ų | 112 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | trans | -157.4 | 149.3 | 132.6 | -111.1 | 158.7 | 46.7 | 0 | 0 | 112 | L984 | Q982-L984 PolarHBondContact O-N 3Š| ||
| 983 | Q | 26.3 | Very low | 42.6 | Very low | 197 Ų | 197 | 115.7 Ų | 115.7 | 92% | 0.921 | 63% | 0.626 | S | S | * | * | trans | -84.3 | 108.7 | -179.5 | -68.2 | 173.4 | -35 | 0 | 0 | 110.1 | ||||
| 984 | L | 29.7 | Very low | 43 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 81% | 0.806 | 61% | 0.609 | S | S | * | * | trans | -125 | 106 | 169.8 | -90 | 161.9 | 0 | 0 | 0 | 111.6 | Q982 | Q982-L984 PolarHBondContact O-N 3Š| ||
| 985 | T | 30.6 | Very low | 43.9 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | trans | -16.1 | 141.6 | 166.6 | 50.9 | 0 | 0 | 0 | 0 | 118.5 | N987 | T985-N987 PolarHBondContact O-N 3.14Š| ||
| 986 | S | 31.1 | Very low | 45.2 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -46.9 | 122 | 163.8 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||
| 987 | N | 33.6 | Very low | 46.9 | Very low | 155 Ų | 155 | 108.5 Ų | 108.5 | 83% | 0.829 | 60% | 0.595 | S | S | * | * | trans | 177.8 | -2.9 | 147.2 | -94.6 | -16.2 | 0 | 0 | 0 | 114 | T985 S989 | T985-N987 PolarHBondContact O-N 3.14Å; N987-S989 PolarHBondContact O-N 2.91Å; N987-S989 VanDerWaalsContact O-N 3.08Å | ||
| 988 | D | 41.4 | Very low | 49.1 | Very low | 129 Ų | 129 | 107.7 Ų | 107.7 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | trans | -64.6 | 111.7 | -178.9 | -147.3 | -9.4 | 0 | 0 | 0 | 111.4 | S992 | D988-S992 PolarHBondContact OD1-OG 3.45Š| ||
| 989 | S | 50.5 | Low | 51.3 | Low | 57 Ų | 57 | 106.9 Ų | 106.9 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | trans | -98.9 | 158.3 | -159.9 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | N987 S991 S992 | N987-S989 PolarHBondContact O-N 2.91Å; N987-S989 VanDerWaalsContact O-N 3.08Å; S989-S991 PolarHBondContact O-N 2.9Å; S989-S991 PolarHBondContact OG-OG 3.13Å; S989-S991 VanDerWaalsContact OG-OG 3.1Å; S989-S992 PolarHBondContact O-N 3.47Å; S989-S992 PolarHBondContact O-OG 2.95Å | ||
| 990 | Q | 54.6 | Low | 53.7 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.9 | -24 | -179.4 | -77.9 | -169.9 | -69 | 0 | 0 | 113.7 | L994 | Q990-L994 PolarHBondContact O-N 3.17Å |
| 991 | S | 58.1 | Low | 56.3 | Low | 62 Ų | 62 | 96 Ų | 96 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 172.2 | 35.2 | 0 | 0 | 0 | 0 | 112.6 | S989 R993 L994 D995 | S989-S991 PolarHBondContact O-N 2.9Å; S989-S991 PolarHBondContact OG-OG 3.13Å; S989-S991 VanDerWaalsContact OG-OG 3.1Å; S991-R993 PolarHBondContact O-N 3.39Å; S991-L994 PolarHBondContact O-N 2.95Å; S991-D995 PolarHBondContact O-N 3.49Å |
| 992 | S | 63.3 | Low | 59 | Low | 30 Ų | 30 | 94.9 Ų | 94.9 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.2 | -35.9 | -176.4 | 73 | 0 | 0 | 0 | 0 | 112.4 | D988 S989 R996 | D988-S992 PolarHBondContact OD1-OG 3.45Å; S989-S992 PolarHBondContact O-N 3.47Å; S989-S992 PolarHBondContact O-OG 2.95Å; S992-R996 WeakPolarHBondContact O-CG 3.33Å; S992-R996 PolarHBondContact O-N 2.83Å |
| 993 | R | 64.5 | Low | 61.6 | Low | 109 Ų | 109 | 86.9 Ų | 86.9 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 173.6 | -63.6 | -177.6 | 179.3 | 179.8 | -1.3 | 112.5 | S975 S991 L997 | S975-R993 PolarHBondContact OG-NE 3.39Å; S991-R993 PolarHBondContact O-N 3.39Å; R993-L997 PolarHBondContact O-N 3.35Å; R993-L997 VanDerWaalsContact O-N 3.11Å |
| 994 | L | 72.3 | Confident | 64.5 | Low | 45 Ų | 45 | 77.5 Ų | 77.5 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.5 | -38.9 | -179.8 | -157.7 | 74 | 0 | 0 | 0 | 111.3 | Q990 S991 L997 N998 V1058 Q1062 | Q990-L994 PolarHBondContact O-N 3.17Å; S991-L994 PolarHBondContact O-N 2.95Å; L994-L997 PolarHBondContact O-N 3.21Å; L994-N998 WeakPolarHBondContact O-CB 3.17Å; L994-N998 PolarHBondContact O-N 3.25Å; L994-N998 PolarHBondContact O-ND2 3.28Å; L994-N998 VanDerWaalsContact O-ND2 3.11Å; L994-V1058 HydrophobicContact CD1-CG1 4.36Å; L994-Q1062 HydrophobicContact CD1-CG 3.93Å |
| 995 | D | 76.6 | Confident | 67.1 | Low | 83 Ų | 83 | 75.7 Ų | 75.7 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 177.7 | -67.7 | -34.6 | 0 | 0 | 0 | 111.7 | S991 L997 N998 Q999 | S991-D995 PolarHBondContact O-N 3.49Å; D995-L997 PolarHBondContact O-N 2.77Å; D995-N998 PolarHBondContact O-N 3.04Å; D995-Q999 VanDerWaalsContact O-CG 3.3Å; D995-Q999 WeakPolarHBondContact O-CG 3.49Å; D995-Q999 PolarHBondContact O-N 2.81Å |
| 996 | R | 76.1 | Confident | 69.7 | Low | 90 Ų | 90 | 72.8 Ų | 72.8 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 173.4 | -71.7 | -177.9 | -174.8 | -172.9 | 7.4 | 112.2 | M974 S992 N998 Q999 I1000 | M974-R996 HydrophobicContact CE-CB 3.82Å; S992-R996 WeakPolarHBondContact O-CG 3.33Å; S992-R996 PolarHBondContact O-N 2.83Å; R996-N998 PolarHBondContact O-N 3.19Å; R996-Q999 PolarHBondContact O-N 2.82Å; R996-I1000 WeakPolarHBondContact O-CD1 3.33Å; R996-I1000 VanDerWaalsContact O-CG1 3.3Å; R996-I1000 WeakPolarHBondContact O-CG1 3.08Å; R996-I1000 PolarHBondContact O-N 2.95Å |
| 997 | L | 80.3 | Confident | 72.4 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 174.3 | -172.1 | 83.1 | 0 | 0 | 0 | 111.4 | M974 R993 L994 D995 Q999 I1000 L1001 I1057 V1058 C1061 | M974-L997 HydrophobicContact SD-CD1 4.11Å; R993-L997 PolarHBondContact O-N 3.35Å; R993-L997 VanDerWaalsContact O-N 3.11Å; L994-L997 PolarHBondContact O-N 3.21Å; D995-L997 PolarHBondContact O-N 2.77Å; L997-Q999 VanDerWaalsContact C-N 3.35Å; L997-Q999 PolarHBondContact O-N 3.34Å; L997-I1000 PolarHBondContact O-N 2.96Å; L997-L1001 HydrophobicContact CD2-CD1 4.34Å; L997-L1001 HydrophobicContact CG-CD1 4.14Å; L997-L1001 WeakPolarHBondContact O-CG 3.28Å; L997-L1001 PolarHBondContact O-N 3.36Å; L997-I1057 HydrophobicContact CD1-CG2 3.98Å; L997-I1057 HydrophobicContact CD2-CG2 4.24Å; L997-V1058 HydrophobicContact CD2-CG2 3.88Å; L997-C1061 HydrophobicContact CD2-CB 4.23Å |
| 998 | N | 82.6 | Confident | 74.7 | Confident | 70 Ų | 70 | 64 Ų | 64 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 178 | -72 | -31.2 | 0 | 0 | 0 | 112 | L994 D995 R996 L1001 K1002 | L994-N998 WeakPolarHBondContact O-CB 3.17Å; L994-N998 PolarHBondContact O-N 3.25Å; L994-N998 PolarHBondContact O-ND2 3.28Å; L994-N998 VanDerWaalsContact O-ND2 3.11Å; D995-N998 PolarHBondContact O-N 3.04Å; R996-N998 PolarHBondContact O-N 3.19Å; N998-L1001 PolarHBondContact O-N 2.94Å; N998-K1002 WeakPolarHBondContact O-CB 3.22Å; N998-K1002 PolarHBondContact O-N 2.89Å |
| 999 | Q | 82.4 | Confident | 76.7 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.9 | -71.4 | 172.9 | 21.3 | 0 | 0 | 112.1 | D995 R996 L997 K1002 L1003 I1030 | D995-Q999 VanDerWaalsContact O-CG 3.3Å; D995-Q999 WeakPolarHBondContact O-CG 3.49Å; D995-Q999 PolarHBondContact O-N 2.81Å; R996-Q999 PolarHBondContact O-N 2.82Å; L997-Q999 VanDerWaalsContact C-N 3.35Å; L997-Q999 PolarHBondContact O-N 3.34Å; Q999-K1002 PolarHBondContact O-N 2.79Å; Q999-L1003 WeakPolarHBondContact O-CG 3.49Å; Q999-L1003 PolarHBondContact O-N 2.88Å; Q999-I1030 HydrophobicContact CB-CD1 3.74Å |
| 1000 | I | 84.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 176 | -64.8 | 157.4 | 0 | 0 | 0 | 111.2 | L971 M974 R996 L997 K1002 L1003 F1004 I1030 L1033 | L971-I1000 HydrophobicContact CD2-CG2 4.1Å; M974-I1000 HydrophobicContact CE-CD1 3.43Å; M974-I1000 VanDerWaalsContact CE-CD1 3.43Å; M974-I1000 HydrophobicContact SD-CD1 3.84Å; R996-I1000 WeakPolarHBondContact O-CD1 3.33Å; R996-I1000 VanDerWaalsContact O-CG1 3.3Å; R996-I1000 WeakPolarHBondContact O-CG1 3.08Å; R996-I1000 PolarHBondContact O-N 2.95Å; L997-I1000 PolarHBondContact O-N 2.96Å; I1000-K1002 VanDerWaalsContact C-N 3.31Å; I1000-K1002 PolarHBondContact O-N 2.98Å; I1000-L1003 PolarHBondContact O-N 3.49Å; I1000-F1004 HydrophobicContact CG2-CD2 4.09Å; I1000-F1004 HydrophobicContact CG2-CE1 4.29Å; I1000-F1004 HydrophobicContact CG2-CE2 3.61Å; I1000-F1004 HydrophobicContact CG2-CZ 3.72Å; I1000-F1004 WeakPolarHBondContact O-CG 3.37Å; I1000-F1004 PolarHBondContact O-N 2.56Å; I1000-I1030 HydrophobicContact CG1-CD1 4.31Å; I1000-I1030 HydrophobicContact CG1-CG1 4.21Å; I1000-I1030 HydrophobicContact CG1-CG2 4.11Å; I1000-L1033 HydrophobicContact CD1-CD2 3.57Å |
| 1001 | L | 83.6 | Confident | 79.6 | Confident | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 176.5 | -71.1 | 171.1 | 0 | 0 | 0 | 111.8 | L997 N998 Q1005 I1057 V1058 | L997-L1001 HydrophobicContact CD2-CD1 4.34Å; L997-L1001 HydrophobicContact CG-CD1 4.14Å; L997-L1001 WeakPolarHBondContact O-CG 3.28Å; L997-L1001 PolarHBondContact O-N 3.36Å; N998-L1001 PolarHBondContact O-N 2.94Å; L1001-Q1005 WeakPolarHBondContact O-CB 3.37Å; L1001-Q1005 PolarHBondContact O-N 3.16Å; L1001-I1057 HydrophobicContact CD2-CD1 4.46Å; L1001-V1058 HydrophobicContact CD1-CG2 4.1Å |
| 1002 | K | 85.1 | Confident | 80.6 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -46.1 | 172.5 | -173.4 | 179 | -177.5 | -91.5 | 0 | 111.6 | N998 Q999 I1000 F1004 Q1005 E1006 | N998-K1002 WeakPolarHBondContact O-CB 3.22Å; N998-K1002 PolarHBondContact O-N 2.89Å; Q999-K1002 PolarHBondContact O-N 2.79Å; I1000-K1002 VanDerWaalsContact C-N 3.31Å; I1000-K1002 PolarHBondContact O-N 2.98Å; K1002-F1004 PolarHBondContact O-N 3.08Å; K1002-Q1005 CarbonylContact O-C 3.58Å; K1002-Q1005 WeakPolarHBondContact O-CA 3.15Å; K1002-Q1005 WeakPolarHBondContact O-CB 3.28Å; K1002-Q1005 PolarHBondContact O-N 3.03Å; K1002-Q1005 VanDerWaalsContact O-N 3.1Å; K1002-E1006 WeakPolarHBondContact CE-OE1 3.47Å; K1002-E1006 IonicContact NZ-OE1 3.71Å; K1002-E1006 PolarHBondContact NZ-OE1 3.36Å; K1002-E1006 WeakPolarHBondContact O-CG 3.44Å; K1002-E1006 PolarHBondContact O-N 3.16Å |
| 1003 | L | 86.1 | Confident | 81.5 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.6 | -77.7 | 162.9 | 0 | 0 | 0 | 112.2 | Q999 I1000 Q1005 E1006 R1007 P1025 I1030 | Q999-L1003 WeakPolarHBondContact O-CG 3.49Å; Q999-L1003 PolarHBondContact O-N 2.88Å; I1000-L1003 PolarHBondContact O-N 3.49Å; L1003-Q1005 VanDerWaalsContact C-N 3.29Å; L1003-Q1005 PolarHBondContact O-N 3.03Å; L1003-E1006 PolarHBondContact O-N 3.43Å; L1003-R1007 WeakPolarHBondContact O-CB 3.5Å; L1003-R1007 WeakPolarHBondContact O-CD 3.44Å; L1003-R1007 WeakPolarHBondContact O-CG 3.4Å; L1003-R1007 PolarHBondContact O-N 2.97Å; L1003-P1025 HydrophobicContact CD1-CB 4.15Å; L1003-P1025 HydrophobicContact CD1-CG 4.24Å; L1003-I1030 HydrophobicContact CD1-CG2 3.6Å |
| 1004 | F | 87.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -33.6 | 172.5 | -66.8 | -21.2 | 0 | 0 | 0 | 112.4 | I1000 K1002 N1008 I1034 L1037 L1042 E1047 L1050 V1051 | I1000-F1004 HydrophobicContact CG2-CD2 4.09Å; I1000-F1004 HydrophobicContact CG2-CE1 4.29Å; I1000-F1004 HydrophobicContact CG2-CE2 3.61Å; I1000-F1004 HydrophobicContact CG2-CZ 3.72Å; I1000-F1004 WeakPolarHBondContact O-CG 3.37Å; I1000-F1004 PolarHBondContact O-N 2.56Å; K1002-F1004 PolarHBondContact O-N 3.08Å; F1004-N1008 WeakPolarHBondContact O-CB 3.35Å; F1004-N1008 PolarHBondContact O-N 3.48Å; F1004-I1034 HydrophobicContact CE1-CG1 4.38Å; F1004-L1037 HydrophobicContact CZ-CD1 4.25Å; F1004-L1042 HydrophobicContact CE1-CD2 3.91Å; F1004-L1042 HydrophobicContact CZ-CD2 3.65Å; F1004-E1047 HydrophobicContact CB-CB 4.29Å; F1004-E1047 HydrophobicContact CD1-CB 4.2Å; F1004-E1047 HydrophobicContact CD1-CG 3.8Å; F1004-E1047 HydrophobicContact CE1-CG 3.99Å; F1004-E1047 HydrophobicContact CG-CB 4.15Å; F1004-E1047 HydrophobicContact CG-CG 4.24Å; F1004-L1050 HydrophobicContact CD2-CB 4.48Å; F1004-L1050 HydrophobicContact CE2-CD1 4.03Å; F1004-V1051 HydrophobicContact CB-CG2 3.45Å; F1004-V1051 VanDerWaalsContact CB-CG2 3.45Å |
| 1005 | Q | 85.8 | Confident | 82.4 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 174.8 | -173.8 | 171.1 | -20.8 | 0 | 0 | 112.6 | L1001 K1002 L1003 S1009 V1051 | L1001-Q1005 WeakPolarHBondContact O-CB 3.37Å; L1001-Q1005 PolarHBondContact O-N 3.16Å; K1002-Q1005 CarbonylContact O-C 3.58Å; K1002-Q1005 WeakPolarHBondContact O-CA 3.15Å; K1002-Q1005 WeakPolarHBondContact O-CB 3.28Å; K1002-Q1005 PolarHBondContact O-N 3.03Å; K1002-Q1005 VanDerWaalsContact O-N 3.1Å; L1003-Q1005 VanDerWaalsContact C-N 3.29Å; L1003-Q1005 PolarHBondContact O-N 3.03Å; Q1005-S1009 WeakPolarHBondContact O-CB 3.33Å; Q1005-S1009 PolarHBondContact O-N 2.99Å; Q1005-S1009 PolarHBondContact O-OG 2.93Å; Q1005-V1051 HydrophobicContact CB-CG1 4.21Å; Q1005-V1051 HydrophobicContact CB-CG2 4.34Å; Q1005-V1051 HydrophobicContact CG-CG1 4.4Å |
| 1006 | E | 85.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 29% | 0.29 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 170.8 | -72.9 | 171.3 | -165.5 | 0 | 0 | 111.1 | K1002 L1003 N1008 S1009 S1010 | K1002-E1006 WeakPolarHBondContact CE-OE1 3.47Å; K1002-E1006 IonicContact NZ-OE1 3.71Å; K1002-E1006 PolarHBondContact NZ-OE1 3.36Å; K1002-E1006 WeakPolarHBondContact O-CG 3.44Å; K1002-E1006 PolarHBondContact O-N 3.16Å; L1003-E1006 PolarHBondContact O-N 3.43Å; E1006-N1008 VanDerWaalsContact C-N 3.35Å; E1006-N1008 PolarHBondContact O-N 3.02Å; E1006-S1009 CarbonylContact O-C 3.51Å; E1006-S1009 WeakPolarHBondContact O-CA 3.32Å; E1006-S1009 VanDerWaalsContact O-CB 3.3Å; E1006-S1009 WeakPolarHBondContact O-CB 3.44Å; E1006-S1009 PolarHBondContact O-N 3.29Å; E1006-S1010 PolarHBondContact O-N 3.09Å |
| 1007 | R | 86.5 | Confident | 81.7 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 8% | 0.075 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.2 | -67.8 | 165.8 | 63.7 | 66.8 | 12.1 | 112.1 | L1003 S1009 S1010 R1011 Y1022 E1047 | L1003-R1007 WeakPolarHBondContact O-CB 3.5Å; L1003-R1007 WeakPolarHBondContact O-CD 3.44Å; L1003-R1007 WeakPolarHBondContact O-CG 3.4Å; L1003-R1007 PolarHBondContact O-N 2.97Å; R1007-S1009 PolarHBondContact O-N 2.98Å; R1007-S1010 PolarHBondContact O-N 2.86Å; R1007-R1011 PolarHBondContact O-N 3.46Å; R1007-R1011 VanDerWaalsContact O-N 3.07Å; R1007-Y1022 HydrophobicContact CB-CD1 3.79Å; R1007-Y1022 HydrophobicContact CB-CE1 3.68Å; R1007-Y1022 HydrophobicContact CG-CD1 3.63Å; R1007-Y1022 HydrophobicContact CG-CE1 4.02Å; R1007-Y1022 HydrophobicContact CG-CG 4.28Å; R1007-E1047 IonicContact CZ-OE1 3.25Å; R1007-E1047 IonicContact CZ-OE2 3.56Å; R1007-E1047 IonicContact NE-OE1 2.71Å; R1007-E1047 PolarHBondContact NE-OE1 3.15Å; R1007-E1047 IonicContact NE-OE2 3.92Å; R1007-E1047 PolarHBondContact NE-OE2 2.92Å; R1007-E1047 IonicContact NH2-OE1 3.73Å; R1007-E1047 PolarHBondContact NH2-OE1 2.81Å; R1007-E1047 IonicContact NH2-OE2 2.8Å |
| 1008 | N | 82.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -29.5 | 173 | -174.7 | 77.3 | 0 | 0 | 0 | 112.7 | F1004 E1006 A1012 S1048 | F1004-N1008 WeakPolarHBondContact O-CB 3.35Å; F1004-N1008 PolarHBondContact O-N 3.48Å; E1006-N1008 VanDerWaalsContact C-N 3.35Å; E1006-N1008 PolarHBondContact O-N 3.02Å; N1008-A1012 PolarHBondContact O-N 3.39Å; N1008-S1048 WeakPolarHBondContact OD1-CB 3.46Å; N1008-S1048 PolarHBondContact OD1-OG 2.79Å |
| 1009 | S | 83.1 | Confident | 81.2 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 43% | 0.434 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75 | -41.9 | 176 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | Q1005 E1006 R1007 R1011 A1012 V1013 | Q1005-S1009 WeakPolarHBondContact O-CB 3.33Å; Q1005-S1009 PolarHBondContact O-N 2.99Å; Q1005-S1009 PolarHBondContact O-OG 2.93Å; E1006-S1009 CarbonylContact O-C 3.51Å; E1006-S1009 WeakPolarHBondContact O-CA 3.32Å; E1006-S1009 VanDerWaalsContact O-CB 3.3Å; E1006-S1009 WeakPolarHBondContact O-CB 3.44Å; E1006-S1009 PolarHBondContact O-N 3.29Å; R1007-S1009 PolarHBondContact O-N 2.98Å; S1009-R1011 VanDerWaalsContact C-N 3.33Å; S1009-R1011 PolarHBondContact O-N 3.34Å; S1009-A1012 PolarHBondContact O-N 2.96Å; S1009-V1013 PolarHBondContact O-N 2.96Å |
| 1010 | S | 83.4 | Confident | 80.8 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.6 | -47 | 169.7 | -66 | 0 | 0 | 0 | 0 | 111.6 | E1006 R1007 A1012 V1013 T1014 C1021 | E1006-S1010 PolarHBondContact O-N 3.09Å; R1007-S1010 PolarHBondContact O-N 2.86Å; S1010-A1012 VanDerWaalsContact C-N 3.28Å; S1010-A1012 PolarHBondContact O-N 3.4Å; S1010-V1013 PolarHBondContact O-N 3.33Å; S1010-T1014 PolarHBondContact O-N 3.45Å; S1010-T1014 PolarHBondContact O-OG1 3.2Å; S1010-C1021 WeakPolarHBondContact CB-O 3.18Å; S1010-C1021 PolarHBondContact OG-O 3.31Å |
| 1011 | R | 83.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 76.4 Ų | 76.4 | 18% | 0.177 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.7 | -36.9 | 177.1 | -74.6 | -168.6 | -69.1 | -88.2 | 9.2 | 113.1 | R1007 S1009 V1013 P1020 Y1022 E1044 E1047 S1048 | R1007-R1011 PolarHBondContact O-N 3.46Å; R1007-R1011 VanDerWaalsContact O-N 3.07Å; S1009-R1011 VanDerWaalsContact C-N 3.33Å; S1009-R1011 PolarHBondContact O-N 3.34Å; R1011-V1013 VanDerWaalsContact C-N 3.3Å; R1011-V1013 PolarHBondContact O-N 3.42Å; R1011-P1020 HydrophobicContact CG-CB 4.18Å; R1011-P1020 HydrophobicContact CG-CG 4.09Å; R1011-Y1022 WeakPolarHBondContact CD-OH 3.43Å; R1011-Y1022 HydrophobicContact CG-CE1 4.24Å; R1011-Y1022 VanDerWaalsContact CG-OH 3.32Å; R1011-Y1022 WeakPolarHBondContact CG-OH 3.43Å; R1011-Y1022 PolarHBondContact NH1-OH 3.08Å; R1011-E1044 WeakPolarHBondContact CD-OE2 3.39Å; R1011-E1044 PolarHBondContact NH2-O 3.08Å; R1011-E1047 IonicContact CZ-OE2 2.65Å; R1011-E1047 VanDerWaalsContact CZ-OE2 3.25Å; R1011-E1047 IonicContact NH1-OE2 2.84Å; R1011-E1047 PolarHBondContact NH1-OE2 2.69Å; R1011-E1047 IonicContact NH2-OE2 3.25Å; R1011-E1047 PolarHBondContact NH2-OE2 2.91Å; R1011-S1048 PolarHBondContact NH2-OG 3.24Å |
| 1012 | A | 78.1 | Confident | 80.3 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.6 | -16.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1008 S1009 S1010 | N1008-A1012 PolarHBondContact O-N 3.39Å; S1009-A1012 PolarHBondContact O-N 2.96Å; S1010-A1012 VanDerWaalsContact C-N 3.28Å; S1010-A1012 PolarHBondContact O-N 3.4Å |
| 1013 | V | 82.8 | Confident | 79.6 | Confident | 128 Ų | 128 | 76.5 Ų | 76.5 | 78% | 0.776 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -102.7 | -18.9 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | S1009 S1010 R1011 | S1009-V1013 PolarHBondContact O-N 2.96Å; S1010-V1013 PolarHBondContact O-N 3.33Å; R1011-V1013 VanDerWaalsContact C-N 3.3Å; R1011-V1013 PolarHBondContact O-N 3.42Å |
| 1014 | T | 79.3 | Confident | 78.8 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 25% | 0.245 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -75.3 | 138.5 | -179 | -56 | 0 | 0 | 0 | 0 | 111 | S1010 E1018 P1020 | S1010-T1014 PolarHBondContact O-N 3.45Å; S1010-T1014 PolarHBondContact O-OG1 3.2Å; T1014-E1018 HydrophobicContact CG2-CB 3.53Å; T1014-E1018 VanDerWaalsContact CG2-O 3.27Å; T1014-E1018 WeakPolarHBondContact CG2-O 3.35Å; T1014-P1020 HydrophobicContact CG2-CB 4.32Å |
| 1015 | R | 76.5 | Confident | 77.9 | Confident | 188 Ų | 188 | 80.7 Ų | 80.7 | 71% | 0.709 | 48% | 0.48 | S | S | * | . | trans | -77.3 | 156.9 | 179.9 | -56.9 | 176.1 | 170.3 | 174.7 | -3.8 | 111.6 | G1017 E1018 | R1015-G1017 PolarHBondContact O-N 3.34Å; R1015-E1018 HydrophobicContact CB-CG 4.29Å; R1015-E1018 VanDerWaalsContact CB-OE2 3.26Å; R1015-E1018 WeakPolarHBondContact CB-OE2 3.49Å; R1015-E1018 WeakPolarHBondContact CD-OE1 3.35Å; R1015-E1018 WeakPolarHBondContact CG-OE2 3.4Å; R1015-E1018 PolarHBondContact N-OE2 3.04Å; R1015-E1018 PolarHBondContact O-N 2.94Å | ||
| 1016 | S | 64.9 | Low | 77.2 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 92% | 0.916 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 106.5 | 177.6 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1017 | G | 72.3 | Confident | 76.8 | Confident | 86 Ų | 86 | 83 Ų | 83 | 89% | 0.887 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.6 | -12.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1015 | R1015-G1017 PolarHBondContact O-N 3.34Š|
| 1018 | E | 77.8 | Confident | 76.4 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -88.2 | 146.8 | 172.3 | -68.7 | 166.4 | 178.6 | 0 | 0 | 110.6 | T1014 R1015 | T1014-E1018 HydrophobicContact CG2-CB 3.53Å; T1014-E1018 VanDerWaalsContact CG2-O 3.27Å; T1014-E1018 WeakPolarHBondContact CG2-O 3.35Å; R1015-E1018 HydrophobicContact CB-CG 4.29Å; R1015-E1018 VanDerWaalsContact CB-OE2 3.26Å; R1015-E1018 WeakPolarHBondContact CB-OE2 3.49Å; R1015-E1018 WeakPolarHBondContact CD-OE1 3.35Å; R1015-E1018 WeakPolarHBondContact CG-OE2 3.4Å; R1015-E1018 PolarHBondContact N-OE2 3.04Å; R1015-E1018 PolarHBondContact O-N 2.94Å |
| 1019 | T | 74.9 | Confident | 76.2 | Confident | 127 Ų | 127 | 90.1 Ų | 90.1 | 78% | 0.779 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 123.6 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | C1021 | T1019-C1021 PolarHBondContact O-N 2.71Š|
| 1020 | P | 74.4 | Confident | 76 | Confident | 31 Ų | 31 | 87.3 Ų | 87.3 | 20% | 0.201 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 124.5 | -176.6 | 27.1 | -35.3 | 0 | 0 | 0 | 111.9 | R1011 T1014 Y1022 | R1011-P1020 HydrophobicContact CG-CB 4.18Å; R1011-P1020 HydrophobicContact CG-CG 4.09Å; T1014-P1020 HydrophobicContact CG2-CB 4.32Å; P1020-Y1022 HydrophobicContact CB-CE1 4.16Å; P1020-Y1022 HydrophobicContact CG-CE1 4.24Å; P1020-Y1022 HydrophobicContact CG-CE2 4.05Å; P1020-Y1022 WeakPolarHBondContact CG-OH 3.36Å; P1020-Y1022 PolarHBondContact O-N 3.2Å |
| 1021 | C | 76.9 | Confident | 75.9 | Confident | 111 Ų | 111 | 88.5 Ų | 88.5 | 75% | 0.75 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 125.8 | 171.6 | -62 | 0 | 0 | 0 | 0 | 110.5 | S1010 T1019 | S1010-C1021 WeakPolarHBondContact CB-O 3.18Å; S1010-C1021 PolarHBondContact OG-O 3.31Å; T1019-C1021 PolarHBondContact O-N 2.71Å |
| 1022 | Y | 80.2 | Confident | 75.7 | Confident | 68 Ų | 68 | 91.4 Ų | 91.4 | 27% | 0.267 | 53% | 0.531 | S | S | . | . | trans | -108.9 | 139.7 | 178.2 | -64.6 | -52.3 | 0 | 0 | 0 | 111.3 | R1007 R1011 P1020 E1044 | R1007-Y1022 HydrophobicContact CB-CD1 3.79Å; R1007-Y1022 HydrophobicContact CB-CE1 3.68Å; R1007-Y1022 HydrophobicContact CG-CD1 3.63Å; R1007-Y1022 HydrophobicContact CG-CE1 4.02Å; R1007-Y1022 HydrophobicContact CG-CG 4.28Å; R1011-Y1022 WeakPolarHBondContact CD-OH 3.43Å; R1011-Y1022 HydrophobicContact CG-CE1 4.24Å; R1011-Y1022 VanDerWaalsContact CG-OH 3.32Å; R1011-Y1022 WeakPolarHBondContact CG-OH 3.43Å; R1011-Y1022 PolarHBondContact NH1-OH 3.08Å; P1020-Y1022 HydrophobicContact CB-CE1 4.16Å; P1020-Y1022 HydrophobicContact CG-CE1 4.24Å; P1020-Y1022 HydrophobicContact CG-CE2 4.05Å; P1020-Y1022 WeakPolarHBondContact CG-OH 3.36Å; P1020-Y1022 PolarHBondContact O-N 3.2Å; Y1022-E1044 WeakPolarHBondContact CE2-OE1 3.13Å; Y1022-E1044 PolarHBondContact OH-OE1 3.3Å; Y1022-E1044 PolarHBondContact OH-OE2 2.98Å | ||
| 1023 | T | 71 | Confident | 75.8 | Confident | 80 Ų | 80 | 88.1 Ų | 88.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 137.5 | 165.2 | 39 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1024 | S | 68.3 | Low | 75.7 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 138.4 | 167.1 | 50 | 0 | 0 | 0 | 0 | 110 | ||
| 1025 | P | 69.3 | Low | 75.8 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 14% | 0.136 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 144 | 168.3 | -22.1 | 33.7 | 0 | 0 | 0 | 111.9 | L1003 D1027 I1030 D1031 I1034 | L1003-P1025 HydrophobicContact CD1-CB 4.15Å; L1003-P1025 HydrophobicContact CD1-CG 4.24Å; P1025-D1027 VanDerWaalsContact C-N 3.27Å; P1025-I1030 HydrophobicContact CB-CB 4.28Å; P1025-I1030 HydrophobicContact CB-CG2 3.94Å; P1025-I1030 HydrophobicContact CG-CG2 4.12Å; P1025-D1031 HydrophobicContact CB-CB 4.4Å; P1025-D1031 WeakPolarHBondContact CD-OD1 3.3Å; P1025-D1031 HydrophobicContact CG-CB 4.15Å; P1025-I1034 HydrophobicContact CG-CD1 3.94Å |
| 1026 | N | 70.5 | Confident | 76.1 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 92% | 0.92 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -82.7 | -3.3 | 172.6 | -68.2 | -6.8 | 0 | 0 | 0 | 113.1 | ||
| 1027 | D | 76.4 | Confident | 76.8 | Confident | 53 Ų | 53 | 74.5 Ų | 74.5 | 28% | 0.283 | 42% | 0.422 | S | S | . | . | trans | -119.8 | 116.7 | -178.6 | 178.3 | 5.1 | 0 | 0 | 0 | 109.4 | P1025 F1029 I1030 D1031 | P1025-D1027 VanDerWaalsContact C-N 3.27Å; D1027-F1029 PolarHBondContact O-N 3.43Å; D1027-F1029 VanDerWaalsContact OD1-CB 3.31Å; D1027-F1029 WeakPolarHBondContact OD1-CB 3.31Å; D1027-F1029 PolarHBondContact OD1-N 3.01Å; D1027-I1030 HydrophobicContact CB-CB 4.17Å; D1027-I1030 HydrophobicContact CB-CD1 4.11Å; D1027-I1030 HydrophobicContact CB-CG1 4.1Å; D1027-I1030 WeakPolarHBondContact O-CB 3.47Å; D1027-I1030 PolarHBondContact O-N 3.49Å; D1027-D1031 PolarHBondContact O-N 3.49Å | ||
| 1028 | E | 78.4 | Confident | 77.4 | Confident | 155 Ų | 155 | 74.9 Ų | 74.9 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.4 | -33 | 177.7 | -171.7 | -179.4 | -172.1 | 0 | 0 | 112 | I1030 D1031 L1032 | E1028-I1030 VanDerWaalsContact C-N 3.33Å; E1028-I1030 PolarHBondContact O-N 2.67Å; E1028-D1031 PolarHBondContact O-N 3.07Å; E1028-L1032 HydrophobicContact CG-CD1 4.29Å; E1028-L1032 WeakPolarHBondContact O-CB 3.37Å; E1028-L1032 PolarHBondContact O-N 2.86Å |
| 1029 | F | 77.5 | Confident | 77.5 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 174.5 | 176.6 | -91.9 | 0 | 0 | 0 | 111.8 | M974 D1027 L1033 | M974-F1029 HydrophobicContact CE-CE1 4.27Å; D1027-F1029 PolarHBondContact O-N 3.43Å; D1027-F1029 VanDerWaalsContact OD1-CB 3.31Å; D1027-F1029 WeakPolarHBondContact OD1-CB 3.31Å; D1027-F1029 PolarHBondContact OD1-N 3.01Å; F1029-L1033 HydrophobicContact CE1-CD2 4.31Å; F1029-L1033 VanDerWaalsContact O-CB 3.26Å; F1029-L1033 WeakPolarHBondContact O-CB 3.47Å; F1029-L1033 PolarHBondContact O-N 3.28Å |
| 1030 | I | 79.6 | Confident | 77.8 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.015 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.4 | -38.7 | 177 | -70 | 178.5 | 0 | 0 | 0 | 110.6 | Q999 I1000 L1003 P1025 D1027 E1028 L1033 I1034 | Q999-I1030 HydrophobicContact CB-CD1 3.74Å; I1000-I1030 HydrophobicContact CG1-CD1 4.31Å; I1000-I1030 HydrophobicContact CG1-CG1 4.21Å; I1000-I1030 HydrophobicContact CG1-CG2 4.11Å; L1003-I1030 HydrophobicContact CD1-CG2 3.6Å; P1025-I1030 HydrophobicContact CB-CB 4.28Å; P1025-I1030 HydrophobicContact CB-CG2 3.94Å; P1025-I1030 HydrophobicContact CG-CG2 4.12Å; D1027-I1030 HydrophobicContact CB-CB 4.17Å; D1027-I1030 HydrophobicContact CB-CD1 4.11Å; D1027-I1030 HydrophobicContact CB-CG1 4.1Å; D1027-I1030 WeakPolarHBondContact O-CB 3.47Å; D1027-I1030 PolarHBondContact O-N 3.49Å; E1028-I1030 VanDerWaalsContact C-N 3.33Å; E1028-I1030 PolarHBondContact O-N 2.67Å; I1030-L1033 CarbonylContact O-C 3.5Å; I1030-L1033 PolarHBondContact O-N 3.36Å; I1030-I1034 HydrophobicContact CG2-CD1 3.8Å; I1030-I1034 HydrophobicContact CG2-CG1 4.32Å; I1030-I1034 WeakPolarHBondContact O-CB 3.48Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.33Å; I1030-I1034 PolarHBondContact O-N 2.73Å |
| 1031 | D | 80.5 | Confident | 78 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 34% | 0.337 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 177.9 | -131.7 | -4.7 | 0 | 0 | 0 | 111.6 | P1025 D1027 E1028 L1033 I1034 L1035 | P1025-D1031 HydrophobicContact CB-CB 4.4Å; P1025-D1031 WeakPolarHBondContact CD-OD1 3.3Å; P1025-D1031 HydrophobicContact CG-CB 4.15Å; D1027-D1031 PolarHBondContact O-N 3.49Å; E1028-D1031 PolarHBondContact O-N 3.07Å; D1031-L1033 VanDerWaalsContact C-N 3.28Å; D1031-L1033 PolarHBondContact O-N 3.34Å; D1031-I1034 PolarHBondContact O-N 2.98Å; D1031-L1035 WeakPolarHBondContact O-CB 3.27Å; D1031-L1035 WeakPolarHBondContact O-CG 3.48Å; D1031-L1035 PolarHBondContact O-N 3.32Å |
| 1032 | L | 80.6 | Confident | 78.2 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 56% | 0.56 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.4 | -40.1 | 168.6 | -88.2 | 162.3 | 0 | 0 | 0 | 112.5 | E1028 K1036 | E1028-L1032 HydrophobicContact CG-CD1 4.29Å; E1028-L1032 WeakPolarHBondContact O-CB 3.37Å; E1028-L1032 PolarHBondContact O-N 2.86Å; L1032-K1036 WeakPolarHBondContact O-CB 3.31Å; L1032-K1036 PolarHBondContact O-N 3.46Å |
| 1033 | L | 79.1 | Confident | 78.3 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73 | -37.4 | 177.5 | -175.8 | 58.3 | 0 | 0 | 0 | 112.2 | M974 I1000 F1029 I1030 D1031 K1036 L1037 | M974-L1033 HydrophobicContact CE-CD2 3.69Å; M974-L1033 HydrophobicContact CG-CD2 4.01Å; M974-L1033 HydrophobicContact SD-CD2 3.95Å; I1000-L1033 HydrophobicContact CD1-CD2 3.57Å; F1029-L1033 HydrophobicContact CE1-CD2 4.31Å; F1029-L1033 VanDerWaalsContact O-CB 3.26Å; F1029-L1033 WeakPolarHBondContact O-CB 3.47Å; F1029-L1033 PolarHBondContact O-N 3.28Å; I1030-L1033 CarbonylContact O-C 3.5Å; I1030-L1033 PolarHBondContact O-N 3.36Å; D1031-L1033 VanDerWaalsContact C-N 3.28Å; D1031-L1033 PolarHBondContact O-N 3.34Å; L1033-K1036 CarbonylContact O-C 3.59Å; L1033-K1036 PolarHBondContact O-N 3.03Å; L1033-L1037 HydrophobicContact CD1-CD1 4.48Å; L1033-L1037 HydrophobicContact CD1-CG 4.26Å; L1033-L1037 HydrophobicContact CG-CD1 4.16Å; L1033-L1037 HydrophobicContact CG-CG 4.4Å; L1033-L1037 WeakPolarHBondContact O-CB 3.39Å; L1033-L1037 VanDerWaalsContact O-CG 3.24Å; L1033-L1037 WeakPolarHBondContact O-CG 3.34Å; L1033-L1037 PolarHBondContact O-N 2.6Å |
| 1034 | I | 80.8 | Confident | 78.8 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 173.7 | -73.3 | 170.9 | 0 | 0 | 0 | 110.4 | F1004 P1025 I1030 D1031 L1037 K1038 | F1004-I1034 HydrophobicContact CE1-CG1 4.38Å; P1025-I1034 HydrophobicContact CG-CD1 3.94Å; I1030-I1034 HydrophobicContact CG2-CD1 3.8Å; I1030-I1034 HydrophobicContact CG2-CG1 4.32Å; I1030-I1034 WeakPolarHBondContact O-CB 3.48Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.33Å; I1030-I1034 PolarHBondContact O-N 2.73Å; D1031-I1034 PolarHBondContact O-N 2.98Å; I1034-L1037 PolarHBondContact O-N 2.99Å; I1034-K1038 HydrophobicContact CG2-CD 4.11Å; I1034-K1038 WeakPolarHBondContact O-CB 3.13Å; I1034-K1038 VanDerWaalsContact O-CG 3.26Å; I1034-K1038 WeakPolarHBondContact O-CG 3.33Å; I1034-K1038 PolarHBondContact O-N 2.73Å |
| 1035 | L | 82.6 | Confident | 79.2 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 170.9 | -72.8 | 166.9 | 0 | 0 | 0 | 111.7 | D1031 K1038 S1039 | D1031-L1035 WeakPolarHBondContact O-CB 3.27Å; D1031-L1035 WeakPolarHBondContact O-CG 3.48Å; D1031-L1035 PolarHBondContact O-N 3.32Å; L1035-K1038 PolarHBondContact O-N 2.82Å; L1035-S1039 PolarHBondContact O-N 2.73Å; L1035-S1039 PolarHBondContact O-OG 3.03Å |
| 1036 | K | 81.3 | Confident | 79.7 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 176.7 | -169.4 | 168 | -176.8 | 171.1 | 0 | 113.1 | S977 L1032 L1033 S1039 L1040 | S977-K1036 PolarHBondContact OG-NZ 3.5Å; L1032-K1036 WeakPolarHBondContact O-CB 3.31Å; L1032-K1036 PolarHBondContact O-N 3.46Å; L1033-K1036 CarbonylContact O-C 3.59Å; L1033-K1036 PolarHBondContact O-N 3.03Å; K1036-S1039 PolarHBondContact O-OG 2.88Å; K1036-S1039 VanDerWaalsContact O-OG 3.07Å; K1036-L1040 VanDerWaalsContact O-CG 3.22Å; K1036-L1040 WeakPolarHBondContact O-CG 3.41Å; K1036-L1040 PolarHBondContact O-N 2.91Å; K1036-L1040 VanDerWaalsContact O-N 3.09Å |
| 1037 | L | 81.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.4 | -38.9 | 174.5 | -68 | 169.8 | 0 | 0 | 0 | 111.1 | V967 A970 L971 F1004 L1033 I1034 L1040 G1041 L1042 | V967-L1037 HydrophobicContact CB-CD2 4.45Å; V967-L1037 HydrophobicContact CG1-CD2 4.28Å; V967-L1037 HydrophobicContact CG2-CD2 4.32Å; A970-L1037 HydrophobicContact CB-CD2 3.69Å; L971-L1037 HydrophobicContact CD1-CD1 4.33Å; L971-L1037 HydrophobicContact CD1-CD2 4.45Å; L971-L1037 HydrophobicContact CD2-CD1 3.76Å; L971-L1037 HydrophobicContact CG-CD1 3.94Å; L971-L1037 HydrophobicContact CG-CD2 4.01Å; F1004-L1037 HydrophobicContact CZ-CD1 4.25Å; L1033-L1037 HydrophobicContact CD1-CD1 4.48Å; L1033-L1037 HydrophobicContact CD1-CG 4.26Å; L1033-L1037 HydrophobicContact CG-CD1 4.16Å; L1033-L1037 HydrophobicContact CG-CG 4.4Å; L1033-L1037 WeakPolarHBondContact O-CB 3.39Å; L1033-L1037 VanDerWaalsContact O-CG 3.24Å; L1033-L1037 WeakPolarHBondContact O-CG 3.34Å; L1033-L1037 PolarHBondContact O-N 2.6Å; I1034-L1037 PolarHBondContact O-N 2.99Å; L1037-L1040 CarbonylContact O-C 3.6Å; L1037-L1040 WeakPolarHBondContact O-CA 3.19Å; L1037-L1040 PolarHBondContact O-N 2.84Å; L1037-L1040 VanDerWaalsContact O-N 3.13Å; L1037-G1041 PolarHBondContact O-N 3.32Å; L1037-L1042 VanDerWaalsContact C-CB 3.46Å; L1037-L1042 HydrophobicContact CB-CB 4.05Å; L1037-L1042 HydrophobicContact CB-CD2 3.82Å; L1037-L1042 HydrophobicContact CB-CG 4.5Å; L1037-L1042 WeakPolarHBondContact O-CB 3.07Å; L1037-L1042 PolarHBondContact O-N 3.17Å |
| 1038 | K | 83.5 | Confident | 80.4 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 171.6 | -75.4 | 168.9 | 180 | 172.6 | 0 | 111.7 | I1034 L1035 L1040 G1041 | I1034-K1038 HydrophobicContact CG2-CD 4.11Å; I1034-K1038 WeakPolarHBondContact O-CB 3.13Å; I1034-K1038 VanDerWaalsContact O-CG 3.26Å; I1034-K1038 WeakPolarHBondContact O-CG 3.33Å; I1034-K1038 PolarHBondContact O-N 2.73Å; L1035-K1038 PolarHBondContact O-N 2.82Å; K1038-L1040 VanDerWaalsContact C-N 3.27Å; K1038-L1040 PolarHBondContact O-N 2.65Å; K1038-G1041 PolarHBondContact O-N 3.04Å |
| 1039 | S | 81.1 | Confident | 80.2 | Confident | 98 Ų | 98 | 51 Ų | 51 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.9 | -18.8 | 175.1 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | L1035 K1036 G1041 | L1035-S1039 PolarHBondContact O-N 2.73Å; L1035-S1039 PolarHBondContact O-OG 3.03Å; K1036-S1039 PolarHBondContact O-OG 2.88Å; K1036-S1039 VanDerWaalsContact O-OG 3.07Å; S1039-G1041 VanDerWaalsContact C-N 3.3Å |
| 1040 | L | 80.1 | Confident | 80.2 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.8 | 167.3 | -65.5 | 173.8 | 0 | 0 | 0 | 113.9 | S964 V967 A970 K1036 L1037 K1038 | S964-L1040 PolarHBondContact OG-O 2.8Å; V967-L1040 HydrophobicContact CG2-CB 3.89Å; A970-L1040 HydrophobicContact CB-CD1 3.71Å; K1036-L1040 VanDerWaalsContact O-CG 3.22Å; K1036-L1040 WeakPolarHBondContact O-CG 3.41Å; K1036-L1040 PolarHBondContact O-N 2.91Å; K1036-L1040 VanDerWaalsContact O-N 3.09Å; L1037-L1040 CarbonylContact O-C 3.6Å; L1037-L1040 WeakPolarHBondContact O-CA 3.19Å; L1037-L1040 PolarHBondContact O-N 2.84Å; L1037-L1040 VanDerWaalsContact O-N 3.13Å; K1038-L1040 VanDerWaalsContact C-N 3.27Å; K1038-L1040 PolarHBondContact O-N 2.65Å |
| 1041 | G | 78.3 | Confident | 80.3 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 14.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1037 K1038 S1039 T1043 M1046 | L1037-G1041 PolarHBondContact O-N 3.32Å; K1038-G1041 PolarHBondContact O-N 3.04Å; S1039-G1041 VanDerWaalsContact C-N 3.3Å; G1041-T1043 PolarHBondContact O-N 2.93Å; G1041-T1043 VanDerWaalsContact O-N 3.12Å; G1041-M1046 VanDerWaalsContact O-SD 3.41Å |
| 1042 | L | 81.4 | Confident | 79.8 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | trans | -61.7 | 111.5 | 175.9 | -178.9 | 75.7 | 0 | 0 | 0 | 111.3 | V967 F1004 L1037 M1046 E1047 L1050 | V967-L1042 HydrophobicContact CG1-CD1 4.02Å; V967-L1042 HydrophobicContact CG2-CB 4.12Å; F1004-L1042 HydrophobicContact CE1-CD2 3.91Å; F1004-L1042 HydrophobicContact CZ-CD2 3.65Å; L1037-L1042 VanDerWaalsContact C-CB 3.46Å; L1037-L1042 HydrophobicContact CB-CB 4.05Å; L1037-L1042 HydrophobicContact CB-CD2 3.82Å; L1037-L1042 HydrophobicContact CB-CG 4.5Å; L1037-L1042 WeakPolarHBondContact O-CB 3.07Å; L1037-L1042 PolarHBondContact O-N 3.17Å; L1042-M1046 HydrophobicContact CD1-CB 3.77Å; L1042-E1047 HydrophobicContact CD1-CG 4.37Å; L1042-E1047 HydrophobicContact CD2-CG 4.1Å; L1042-E1047 HydrophobicContact CG-CG 4.24Å; L1042-L1050 HydrophobicContact CD1-CD1 3.54Å | ||
| 1043 | T | 82.5 | Confident | 79.3 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | trans | -93.3 | 163.2 | 170.7 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | G1041 L1045 M1046 E1047 | G1041-T1043 PolarHBondContact O-N 2.93Å; G1041-T1043 VanDerWaalsContact O-N 3.12Å; T1043-L1045 PolarHBondContact O-N 3.39Å; T1043-M1046 HydrophobicContact CG2-CE 4.48Å; T1043-M1046 WeakPolarHBondContact O-CA 3.33Å; T1043-M1046 WeakPolarHBondContact O-CB 3.23Å; T1043-M1046 PolarHBondContact O-N 2.93Å; T1043-M1046 WeakPolarHBondContact OG1-CG 3.43Å; T1043-M1046 PolarHBondContact OG1-N 2.84Å; T1043-E1047 PolarHBondContact O-N 2.92Å | ||
| 1044 | E | 80.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -28.5 | 176.4 | -55.8 | -164 | 145.3 | 0 | 0 | 113.1 | R1011 Y1022 E1047 S1048 | R1011-E1044 WeakPolarHBondContact CD-OE2 3.39Å; R1011-E1044 PolarHBondContact NH2-O 3.08Å; Y1022-E1044 WeakPolarHBondContact CE2-OE1 3.13Å; Y1022-E1044 PolarHBondContact OH-OE1 3.3Å; Y1022-E1044 PolarHBondContact OH-OE2 2.98Å; E1044-E1047 WeakPolarHBondContact O-CB 3.27Å; E1044-S1048 PolarHBondContact O-N 2.77Å; E1044-S1048 PolarHBondContact O-OG 2.88Å |
| 1045 | L | 76.4 | Confident | 78.5 | Confident | 88 Ų | 88 | 48 Ų | 48 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.5 | -38.7 | 173.7 | -164.7 | 162.8 | 0 | 0 | 0 | 110.7 | P961 T1043 S1048 Q1049 | P961-L1045 HydrophobicContact CG-CD1 4.43Å; P961-L1045 HydrophobicContact CG-CD2 4.05Å; T1043-L1045 PolarHBondContact O-N 3.39Å; L1045-S1048 PolarHBondContact O-N 3.32Å; L1045-Q1049 HydrophobicContact CD2-CG 3.93Å; L1045-Q1049 VanDerWaalsContact CD2-NE2 3.33Å; L1045-Q1049 WeakPolarHBondContact O-CG 3.49Å; L1045-Q1049 PolarHBondContact O-N 2.67Å |
| 1046 | M | 80.4 | Confident | 77.7 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 171.9 | -69.6 | -179.6 | -163.4 | 0 | 0 | 112.5 | P962 G1041 L1042 T1043 S1048 Q1049 L1050 | P962-M1046 WeakPolarHBondContact O-CE 3.39Å; G1041-M1046 VanDerWaalsContact O-SD 3.41Å; L1042-M1046 HydrophobicContact CD1-CB 3.77Å; T1043-M1046 HydrophobicContact CG2-CE 4.48Å; T1043-M1046 WeakPolarHBondContact O-CA 3.33Å; T1043-M1046 WeakPolarHBondContact O-CB 3.23Å; T1043-M1046 PolarHBondContact O-N 2.93Å; T1043-M1046 WeakPolarHBondContact OG1-CG 3.43Å; T1043-M1046 PolarHBondContact OG1-N 2.84Å; M1046-S1048 VanDerWaalsContact C-N 3.28Å; M1046-S1048 PolarHBondContact O-N 3.36Å; M1046-Q1049 PolarHBondContact O-N 2.96Å; M1046-L1050 WeakPolarHBondContact O-CB 3.39Å; M1046-L1050 VanDerWaalsContact O-CG 3.24Å; M1046-L1050 WeakPolarHBondContact O-CG 3.27Å; M1046-L1050 PolarHBondContact O-N 3.45Å |
| 1047 | E | 83.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.5 | -48.8 | 170.8 | -65.5 | -178.9 | -176.9 | 0 | 0 | 110.4 | F1004 R1007 R1011 L1042 T1043 E1044 Q1049 L1050 V1051 | F1004-E1047 HydrophobicContact CB-CB 4.29Å; F1004-E1047 HydrophobicContact CD1-CB 4.2Å; F1004-E1047 HydrophobicContact CD1-CG 3.8Å; F1004-E1047 HydrophobicContact CE1-CG 3.99Å; F1004-E1047 HydrophobicContact CG-CB 4.15Å; F1004-E1047 HydrophobicContact CG-CG 4.24Å; R1007-E1047 IonicContact CZ-OE1 3.25Å; R1007-E1047 IonicContact CZ-OE2 3.56Å; R1007-E1047 IonicContact NE-OE1 2.71Å; R1007-E1047 PolarHBondContact NE-OE1 3.15Å; R1007-E1047 IonicContact NE-OE2 3.92Å; R1007-E1047 PolarHBondContact NE-OE2 2.92Å; R1007-E1047 IonicContact NH2-OE1 3.73Å; R1007-E1047 PolarHBondContact NH2-OE1 2.81Å; R1007-E1047 IonicContact NH2-OE2 2.8Å; R1011-E1047 IonicContact CZ-OE2 2.65Å; R1011-E1047 VanDerWaalsContact CZ-OE2 3.25Å; R1011-E1047 IonicContact NH1-OE2 2.84Å; R1011-E1047 PolarHBondContact NH1-OE2 2.69Å; R1011-E1047 IonicContact NH2-OE2 3.25Å; R1011-E1047 PolarHBondContact NH2-OE2 2.91Å; L1042-E1047 HydrophobicContact CD1-CG 4.37Å; L1042-E1047 HydrophobicContact CD2-CG 4.1Å; L1042-E1047 HydrophobicContact CG-CG 4.24Å; T1043-E1047 PolarHBondContact O-N 2.92Å; E1044-E1047 WeakPolarHBondContact O-CB 3.27Å; E1047-Q1049 PolarHBondContact O-N 3.39Å; E1047-L1050 PolarHBondContact O-N 2.93Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.28Å; E1047-V1051 PolarHBondContact O-N 2.86Å |
| 1048 | S | 78.9 | Confident | 76.7 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68 | -32.9 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | N1008 R1011 E1044 L1045 M1046 N1052 | N1008-S1048 WeakPolarHBondContact OD1-CB 3.46Å; N1008-S1048 PolarHBondContact OD1-OG 2.79Å; R1011-S1048 PolarHBondContact NH2-OG 3.24Å; E1044-S1048 PolarHBondContact O-N 2.77Å; E1044-S1048 PolarHBondContact O-OG 2.88Å; L1045-S1048 PolarHBondContact O-N 3.32Å; M1046-S1048 VanDerWaalsContact C-N 3.28Å; M1046-S1048 PolarHBondContact O-N 3.36Å; S1048-N1052 PolarHBondContact O-N 3.45Å; S1048-N1052 PolarHBondContact O-ND2 2.97Å |
| 1049 | Q | 73.6 | Confident | 75.8 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 170.5 | -70.2 | 170.6 | -19 | 0 | 0 | 111.9 | P961 I963 L1045 M1046 E1047 N1052 L1053 | P961-Q1049 PolarHBondContact O-NE2 2.82Å; P961-Q1049 PolarHBondContact O-OE1 3.26Å; I963-Q1049 HydrophobicContact CD1-CB 3.98Å; I963-Q1049 HydrophobicContact CG1-CB 4.21Å; L1045-Q1049 HydrophobicContact CD2-CG 3.93Å; L1045-Q1049 VanDerWaalsContact CD2-NE2 3.33Å; L1045-Q1049 WeakPolarHBondContact O-CG 3.49Å; L1045-Q1049 PolarHBondContact O-N 2.67Å; M1046-Q1049 PolarHBondContact O-N 2.96Å; E1047-Q1049 PolarHBondContact O-N 3.39Å; Q1049-N1052 WeakPolarHBondContact O-CB 3.39Å; Q1049-N1052 PolarHBondContact O-N 2.97Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-L1053 PolarHBondContact O-N 3.34Å |
| 1050 | L | 78.2 | Confident | 75 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 179 | -70 | 165.1 | 0 | 0 | 0 | 111.9 | I963 V967 L971 F1004 L1042 M1046 E1047 N1052 L1053 S1054 I1057 | I963-L1050 HydrophobicContact CD1-CD2 4.1Å; I963-L1050 HydrophobicContact CD1-CG 4.42Å; I963-L1050 HydrophobicContact CG2-CD2 4.29Å; V967-L1050 HydrophobicContact CG1-CD1 3.99Å; L971-L1050 HydrophobicContact CD1-CD1 3.69Å; L971-L1050 HydrophobicContact CD1-CD2 3.94Å; L971-L1050 HydrophobicContact CD1-CG 4.43Å; F1004-L1050 HydrophobicContact CD2-CB 4.48Å; F1004-L1050 HydrophobicContact CE2-CD1 4.03Å; L1042-L1050 HydrophobicContact CD1-CD1 3.54Å; M1046-L1050 WeakPolarHBondContact O-CB 3.39Å; M1046-L1050 VanDerWaalsContact O-CG 3.24Å; M1046-L1050 WeakPolarHBondContact O-CG 3.27Å; M1046-L1050 PolarHBondContact O-N 3.45Å; E1047-L1050 PolarHBondContact O-N 2.93Å; L1050-N1052 VanDerWaalsContact C-N 3.32Å; L1050-N1052 PolarHBondContact O-N 2.9Å; L1050-L1053 CarbonylContact O-C 3.32Å; L1050-L1053 PolarHBondContact O-N 3.14Å; L1050-S1054 PolarHBondContact O-N 2.85Å; L1050-I1057 HydrophobicContact CB-CD1 4.19Å; L1050-I1057 HydrophobicContact CD2-CD1 3.65Å |
| 1051 | V | 80.6 | Confident | 74.3 | Confident | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 172.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F1004 Q1005 E1047 S1054 | F1004-V1051 HydrophobicContact CB-CG2 3.45Å; F1004-V1051 VanDerWaalsContact CB-CG2 3.45Å; Q1005-V1051 HydrophobicContact CB-CG1 4.21Å; Q1005-V1051 HydrophobicContact CB-CG2 4.34Å; Q1005-V1051 HydrophobicContact CG-CG1 4.4Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.28Å; E1047-V1051 PolarHBondContact O-N 2.86Å; V1051-S1054 WeakPolarHBondContact O-CB 3.41Å; V1051-S1054 PolarHBondContact O-N 3.4Å; V1051-S1054 PolarHBondContact O-OG 2.86Å |
| 1052 | N | 71.2 | Confident | 73.6 | Confident | 90 Ų | 90 | 39 Ų | 39 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 174.8 | -77.4 | -50.1 | 0 | 0 | 0 | 112.4 | K937 S1048 Q1049 L1050 S1054 | K937-N1052 PolarHBondContact NZ-O 3.05Å; S1048-N1052 PolarHBondContact O-N 3.45Å; S1048-N1052 PolarHBondContact O-ND2 2.97Å; Q1049-N1052 WeakPolarHBondContact O-CB 3.39Å; Q1049-N1052 PolarHBondContact O-N 2.97Å; L1050-N1052 VanDerWaalsContact C-N 3.32Å; L1050-N1052 PolarHBondContact O-N 2.9Å; N1052-S1054 VanDerWaalsContact C-N 3.33Å |
| 1053 | L | 69.8 | Low | 72.5 | Confident | 29 Ų | 29 | 42 Ų | 42 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.4 | 176.6 | -67.1 | 175.6 | 0 | 0 | 0 | 114.9 | L956 L959 I963 Q1049 L1050 S1055 Y1056 I1057 | L956-L1053 HydrophobicContact CD2-CD1 4.21Å; L959-L1053 HydrophobicContact CD1-CD1 4.35Å; I963-L1053 HydrophobicContact CD1-CD1 3.51Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-L1053 PolarHBondContact O-N 3.34Å; L1050-L1053 CarbonylContact O-C 3.32Å; L1050-L1053 PolarHBondContact O-N 3.14Å; L1053-S1055 VanDerWaalsContact C-N 3.27Å; L1053-S1055 PolarHBondContact O-N 2.97Å; L1053-Y1056 WeakPolarHBondContact O-CA 3.48Å; L1053-Y1056 WeakPolarHBondContact O-CB 3.31Å; L1053-Y1056 PolarHBondContact O-N 2.86Å; L1053-I1057 HydrophobicContact CB-CD1 4.17Å; L1053-I1057 HydrophobicContact CB-CG1 4.35Å; L1053-I1057 PolarHBondContact O-N 2.78Å; L1053-I1057 VanDerWaalsContact O-N 3.07Å |
| 1054 | S | 75.3 | Confident | 71.1 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -39.8 | -49 | -179 | 43.8 | 0 | 0 | 0 | 0 | 114.6 | L1050 V1051 N1052 Y1056 I1057 V1058 | L1050-S1054 PolarHBondContact O-N 2.85Å; V1051-S1054 WeakPolarHBondContact O-CB 3.41Å; V1051-S1054 PolarHBondContact O-N 3.4Å; V1051-S1054 PolarHBondContact O-OG 2.86Å; N1052-S1054 VanDerWaalsContact C-N 3.33Å; S1054-Y1056 VanDerWaalsContact C-N 3.3Å; S1054-Y1056 PolarHBondContact O-N 2.85Å; S1054-I1057 PolarHBondContact O-N 3.05Å; S1054-V1058 WeakPolarHBondContact O-CB 3.4Å; S1054-V1058 VanDerWaalsContact O-CG2 3.3Å; S1054-V1058 WeakPolarHBondContact O-CG2 3.41Å; S1054-V1058 PolarHBondContact O-N 3.25Å |
| 1055 | S | 67.1 | Low | 69 | Low | 36 Ų | 36 | 48.3 Ų | 48.3 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -22.6 | -179.9 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | K937 L1053 | K937-S1055 WeakPolarHBondContact CE-OG 3.29Å; L1053-S1055 VanDerWaalsContact C-N 3.27Å; L1053-S1055 PolarHBondContact O-N 2.97Å |
| 1056 | Y | 65.6 | Low | 67.2 | Low | 24 Ų | 24 | 48 Ų | 48 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -82.4 | -42.4 | 172.5 | 172.2 | -108.1 | 0 | 0 | 0 | 110.7 | F941 V945 D952 L1053 S1054 N1059 L1060 | F941-Y1056 HydrophobicContact CD1-CD2 4.34Å; F941-Y1056 HydrophobicContact CE1-CD2 4.33Å; V945-Y1056 HydrophobicContact CG1-CE2 4.39Å; D952-Y1056 PolarHBondContact OD2-OH 3.26Å; L1053-Y1056 WeakPolarHBondContact O-CA 3.48Å; L1053-Y1056 WeakPolarHBondContact O-CB 3.31Å; L1053-Y1056 PolarHBondContact O-N 2.86Å; S1054-Y1056 VanDerWaalsContact C-N 3.3Å; S1054-Y1056 PolarHBondContact O-N 2.85Å; Y1056-N1059 PolarHBondContact O-N 2.85Å; Y1056-L1060 HydrophobicContact CD1-CD1 3.97Å; Y1056-L1060 HydrophobicContact CE1-CD1 3.53Å; Y1056-L1060 HydrophobicContact CE1-CG 4.39Å; Y1056-L1060 HydrophobicContact CE2-CD1 4.41Å; Y1056-L1060 HydrophobicContact CE2-CG 4.46Å; Y1056-L1060 PolarHBondContact O-N 2.95Å |
| 1057 | I | 70.1 | Confident | 64.9 | Low | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.1 | -56.1 | 165.9 | 0 | 0 | 0 | 110.9 | L997 L1001 L1050 L1053 S1054 N1059 L1060 C1061 | L997-I1057 HydrophobicContact CD1-CG2 3.98Å; L997-I1057 HydrophobicContact CD2-CG2 4.24Å; L1001-I1057 HydrophobicContact CD2-CD1 4.46Å; L1050-I1057 HydrophobicContact CB-CD1 4.19Å; L1050-I1057 HydrophobicContact CD2-CD1 3.65Å; L1053-I1057 HydrophobicContact CB-CD1 4.17Å; L1053-I1057 HydrophobicContact CB-CG1 4.35Å; L1053-I1057 PolarHBondContact O-N 2.78Å; L1053-I1057 VanDerWaalsContact O-N 3.07Å; S1054-I1057 PolarHBondContact O-N 3.05Å; I1057-N1059 VanDerWaalsContact C-N 3.3Å; I1057-N1059 PolarHBondContact O-N 2.96Å; I1057-L1060 WeakPolarHBondContact O-CB 3.42Å; I1057-L1060 PolarHBondContact O-N 3.3Å; I1057-C1061 PolarHBondContact O-N 3.4Å |
| 1058 | V | 72.5 | Confident | 62.4 | Low | 30 Ų | 30 | 61.4 Ų | 61.4 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 173.6 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | L994 L997 L1001 S1054 C1061 Q1062 | L994-V1058 HydrophobicContact CD1-CG1 4.36Å; L997-V1058 HydrophobicContact CD2-CG2 3.88Å; L1001-V1058 HydrophobicContact CD1-CG2 4.1Å; S1054-V1058 WeakPolarHBondContact O-CB 3.4Å; S1054-V1058 VanDerWaalsContact O-CG2 3.3Å; S1054-V1058 WeakPolarHBondContact O-CG2 3.41Å; S1054-V1058 PolarHBondContact O-N 3.25Å; V1058-C1061 PolarHBondContact O-N 3.46Å; V1058-Q1062 WeakPolarHBondContact O-CB 3.4Å; V1058-Q1062 VanDerWaalsContact O-CG 3.3Å; V1058-Q1062 WeakPolarHBondContact O-CG 3.18Å; V1058-Q1062 PolarHBondContact O-N 3.13Å |
| 1059 | N | 64.6 | Low | 60 | Low | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 177.7 | -114.5 | -38.2 | 0 | 0 | 0 | 112.6 | F941 Y1056 I1057 Q1062 N1063 | F941-N1059 PolarHBondContact O-ND2 2.86Å; Y1056-N1059 PolarHBondContact O-N 2.85Å; I1057-N1059 VanDerWaalsContact C-N 3.3Å; I1057-N1059 PolarHBondContact O-N 2.96Å; N1059-Q1062 PolarHBondContact O-N 3.29Å; N1059-N1063 WeakPolarHBondContact O-CB 3.5Å; N1059-N1063 PolarHBondContact O-N 2.87Å; N1059-N1063 PolarHBondContact O-ND2 2.85Å; N1059-N1063 PolarHBondContact OD1-ND2 2.82Å |
| 1060 | L | 63.9 | Low | 57.8 | Low | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 172.7 | -76.9 | 169.8 | 0 | 0 | 0 | 111.1 | Y1056 I1057 Q1062 N1063 G1064 | Y1056-L1060 HydrophobicContact CD1-CD1 3.97Å; Y1056-L1060 HydrophobicContact CE1-CD1 3.53Å; Y1056-L1060 HydrophobicContact CE1-CG 4.39Å; Y1056-L1060 HydrophobicContact CE2-CD1 4.41Å; Y1056-L1060 HydrophobicContact CE2-CG 4.46Å; Y1056-L1060 PolarHBondContact O-N 2.95Å; I1057-L1060 WeakPolarHBondContact O-CB 3.42Å; I1057-L1060 PolarHBondContact O-N 3.3Å; L1060-Q1062 VanDerWaalsContact C-N 3.32Å; L1060-Q1062 PolarHBondContact O-N 2.86Å; L1060-N1063 PolarHBondContact O-N 2.76Å; L1060-G1064 PolarHBondContact O-N 3.49Å |
| 1061 | C | 67 | Low | 55.4 | Low | 37 Ų | 37 | 81.6 Ų | 81.6 | 25% | 0.25 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65 | -32.6 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | L997 I1057 V1058 | L997-C1061 HydrophobicContact CD2-CB 4.23Å; I1057-C1061 PolarHBondContact O-N 3.4Å; V1058-C1061 PolarHBondContact O-N 3.46Å |
| 1062 | Q | 63.6 | Low | 53 | Low | 100 Ų | 100 | 85.8 Ų | 85.8 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.8 | -34.1 | 176.7 | -74.9 | 175.7 | -9.2 | 0 | 0 | 113.4 | L994 V1058 N1059 L1060 | L994-Q1062 HydrophobicContact CD1-CG 3.93Å; V1058-Q1062 WeakPolarHBondContact O-CB 3.4Å; V1058-Q1062 VanDerWaalsContact O-CG 3.3Å; V1058-Q1062 WeakPolarHBondContact O-CG 3.18Å; V1058-Q1062 PolarHBondContact O-N 3.13Å; N1059-Q1062 PolarHBondContact O-N 3.29Å; L1060-Q1062 VanDerWaalsContact C-N 3.32Å; L1060-Q1062 PolarHBondContact O-N 2.86Å |
| 1063 | N | 58.2 | Low | 51 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -98.9 | -10.5 | -175.8 | -67.4 | -82 | 0 | 0 | 0 | 114.2 | N1059 L1060 R1065 | N1059-N1063 WeakPolarHBondContact O-CB 3.5Å; N1059-N1063 PolarHBondContact O-N 2.87Å; N1059-N1063 PolarHBondContact O-ND2 2.85Å; N1059-N1063 PolarHBondContact OD1-ND2 2.82Å; L1060-N1063 PolarHBondContact O-N 2.76Å; N1063-R1065 PolarHBondContact O-N 2.88Å |
| 1064 | G | 52.5 | Low | 48.9 | Very low | 51 Ų | 51 | 89 Ų | 89 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | trans | -72.2 | 90.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1060 | L1060-G1064 PolarHBondContact O-N 3.49Š| ||
| 1065 | R | 36.5 | Very low | 46.9 | Very low | 229 Ų | 229 | 91.3 Ų | 91.3 | 86% | 0.864 | 51% | 0.508 | S | S | * | . | trans | -72.1 | 136.4 | 166.5 | -72.8 | -172.9 | 174.9 | -170.8 | -1.5 | 110.9 | N1063 | N1063-R1065 PolarHBondContact O-N 2.88Š| ||
| 1066 | P | 38.3 | Very low | 45.2 | Very low | 82 Ų | 82 | 96 Ų | 96 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | trans | -67.6 | 141.5 | 176.5 | 28.5 | -34.4 | 0 | 0 | 0 | 111.5 | S1068 | P1066-S1068 VanDerWaalsContact C-N 3.31Å; P1066-S1068 PolarHBondContact O-N 3.17Å | ||
| 1067 | Q | 32.9 | Very low | 43.6 | Very low | 195 Ų | 195 | 100.7 Ų | 100.7 | 91% | 0.911 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -81.9 | 1.7 | -171.1 | -67.9 | -177.9 | -20.7 | 0 | 0 | 115 | A1069 | Q1067-A1069 VanDerWaalsContact C-N 3.3Å; Q1067-A1069 PolarHBondContact O-N 3.44Å; Q1067-A1069 VanDerWaalsContact O-N 3.08Å |
| 1068 | S | 30.1 | Very low | 41.7 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -83.8 | 26.4 | -163.5 | 62.4 | 0 | 0 | 0 | 0 | 116.2 | P1066 | P1066-S1068 VanDerWaalsContact C-N 3.31Å; P1066-S1068 PolarHBondContact O-N 3.17Å | ||
| 1069 | A | 28.8 | Very low | 39.6 | Very low | 76 Ų | 76 | 116 Ų | 116 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | trans | -142.8 | 33.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1067 | Q1067-A1069 VanDerWaalsContact C-N 3.3Å; Q1067-A1069 PolarHBondContact O-N 3.44Å; Q1067-A1069 VanDerWaalsContact O-N 3.08Å | ||
| 1070 | F | 27.5 | Very low | 38 | Very low | 196 Ų | 196 | 121.4 Ų | 121.4 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -133.3 | 45.6 | 173.2 | -79.5 | -71.9 | 0 | 0 | 0 | 114.4 | S1072 | F1070-S1072 PolarHBondContact O-N 3.35Š| ||
| 1071 | H | 27.9 | Very low | 36.2 | Very low | 201 Ų | 201 | 124.8 Ų | 124.8 | 93% | 0.931 | 66% | 0.657 | S | S | * | * | trans | -91.7 | 78.7 | 162.9 | -81 | -76.1 | 0 | 0 | 0 | 111.1 | ||||
| 1072 | S | 29.5 | Very low | 34.2 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -154.7 | 157.8 | 162.9 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | F1070 N1074 | F1070-S1072 PolarHBondContact O-N 3.35Å; S1072-N1074 PolarHBondContact O-N 3.25Å |
| 1073 | S | 29 | Very low | 32.4 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -97.6 | 89.8 | -159.1 | 40.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1074 | N | 26.2 | Very low | 30.9 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 34% | 0.342 | 70% | 0.7 | S | S | . | * | trans | -139 | 106.3 | 166.8 | -159.8 | -33.5 | 0 | 0 | 0 | 112.3 | S1072 K1076 | S1072-N1074 PolarHBondContact O-N 3.25Å; N1074-K1076 PolarHBondContact O-N 2.87Å; N1074-K1076 VanDerWaalsContact O-N 3.11Å | ||
| 1075 | P | 32.3 | Very low | 29.5 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -7.6 | -167.1 | 29.1 | -35.9 | 0 | 0 | 0 | 114.8 | ||
| 1076 | K | 32.1 | Very low | 29 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -16.5 | -174.7 | -67.8 | 177.9 | 177.7 | 169.5 | 0 | 114.8 | N1074 T1185 | N1074-K1076 PolarHBondContact O-N 2.87Å; N1074-K1076 VanDerWaalsContact O-N 3.11Å; K1076-T1185 WeakPolarHBondContact CE-O 3.03Å |
| 1077 | I | 32.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -91.4 | -25.3 | -174.4 | -63.6 | 176.3 | 0 | 0 | 0 | 112.1 | R1079 | I1077-R1079 PolarHBondContact O-N 3.42Š|
| 1078 | N | 29.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 14.4 | -174.9 | -73.2 | -11.8 | 0 | 0 | 0 | 116 | ||
| 1079 | R | 29.2 | Very low | 27.7 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -2.8 | -179.9 | -74.6 | -170.9 | 176 | -174 | -0.4 | 115.4 | I1077 | I1077-R1079 PolarHBondContact O-N 3.42Š|
| 1080 | I | 30 | Very low | 27.6 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.7 | -0.2 | -174.4 | -58.2 | 178.3 | 0 | 0 | 0 | 112.3 | P1082 | I1080-P1082 WeakPolarHBondContact O-CD 3.38Š|
| 1081 | I | 25.8 | Very low | 27.6 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -89.3 | 112.4 | 171.3 | -57.1 | 172 | 0 | 0 | 0 | 108.9 | K1083 | I1081-K1083 PolarHBondContact O-N 2.96Š|
| 1082 | P | 26.6 | Very low | 27.5 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | trans | -67.2 | 120.8 | 170 | 28 | -32.6 | 0 | 0 | 0 | 109.2 | I1080 Y1084 | I1080-P1082 WeakPolarHBondContact O-CD 3.38Å; P1082-Y1084 PolarHBondContact O-N 3.25Å; P1082-Y1084 VanDerWaalsContact O-N 3.07Å | ||
| 1083 | K | 24.9 | Very low | 27.3 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | trans | -63 | 110.9 | 168.5 | -75.5 | -176.9 | 176 | -179.5 | 0 | 108.3 | I1081 Q1085 | I1081-K1083 PolarHBondContact O-N 2.96Å; K1083-Q1085 PolarHBondContact O-N 3.23Å | ||
| 1084 | Y | 25.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -69.5 | 74.2 | 171 | -76.3 | -77.4 | 0 | 0 | 0 | 110.8 | T950 P1082 V1086 | T950-Y1084 HydrophobicContact CG2-CE1 3.8Å; P1082-Y1084 PolarHBondContact O-N 3.25Å; P1082-Y1084 VanDerWaalsContact O-N 3.07Å; Y1084-V1086 PolarHBondContact O-N 2.85Å; Y1084-V1086 VanDerWaalsContact O-N 3.08Å | ||
| 1085 | Q | 23.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -69.9 | 99.6 | 161 | -89.2 | -174.5 | -38.5 | 0 | 0 | 108.3 | K1083 Y1087 | K1083-Q1085 PolarHBondContact O-N 3.23Å; Q1085-Y1087 PolarHBondContact O-N 2.8Å | ||
| 1086 | V | 25.5 | Very low | 26.8 | Very low | 120 Ų | 120 | 152 Ų | 152 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -62.6 | 101.9 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | Y1084 A1088 | Y1084-V1086 PolarHBondContact O-N 2.85Å; Y1084-V1086 VanDerWaalsContact O-N 3.08Å; V1086-A1088 VanDerWaalsContact C-N 3.29Å; V1086-A1088 PolarHBondContact O-N 3.33Å | ||
| 1087 | Y | 24 | Very low | 26.4 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -70.1 | 92.6 | 162.6 | -87.1 | -87.9 | 0 | 0 | 0 | 108 | Q1085 I1089 | Q1085-Y1087 PolarHBondContact O-N 2.8Å; Y1087-I1089 PolarHBondContact O-N 3.28Å | ||
| 1088 | A | 25.5 | Very low | 26.1 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | trans | -64.2 | 104.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1086 E1090 | V1086-A1088 VanDerWaalsContact C-N 3.29Å; V1086-A1088 PolarHBondContact O-N 3.33Å; A1088-E1090 PolarHBondContact O-N 3.49Å; A1088-E1090 VanDerWaalsContact O-N 3.11Å | ||
| 1089 | I | 25.8 | Very low | 26.1 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -85.4 | 70.1 | 167.7 | -53 | 179.8 | 0 | 0 | 0 | 107.7 | R890 Y1087 | R890-I1089 PolarHBondContact NH1-O 3.09Å; Y1087-I1089 PolarHBondContact O-N 3.28Å | ||
| 1090 | E | 26 | Very low | 26 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 49% | 0.486 | 74% | 0.741 | S | S | . | * | trans | -159.9 | 156.1 | 170.4 | -122.8 | 105.6 | -140.1 | 0 | 0 | 108.4 | R890 A1088 | R890-E1090 WeakPolarHBondContact CD-OE1 3.28Å; R890-E1090 IonicContact CZ-OE1 2.85Å; R890-E1090 IonicContact CZ-OE2 2.75Å; R890-E1090 IonicContact NE-OE1 3.65Å; R890-E1090 PolarHBondContact NE-OE1 3.35Å; R890-E1090 IonicContact NE-OE2 3.71Å; R890-E1090 IonicContact NH1-OE1 2.93Å; R890-E1090 PolarHBondContact NH1-OE1 3.35Å; R890-E1090 IonicContact NH1-OE2 2.84Å; R890-E1090 PolarHBondContact NH1-OE2 3.41Å; R890-E1090 VanDerWaalsContact NH1-OE2 3.15Å; R890-E1090 IonicContact NH2-OE1 2.85Å; R890-E1090 PolarHBondContact NH2-OE1 3.2Å; R890-E1090 IonicContact NH2-OE2 3.3Å; R890-E1090 PolarHBondContact NH2-OE2 2.87Å; A1088-E1090 PolarHBondContact O-N 3.49Å; A1088-E1090 VanDerWaalsContact O-N 3.11Å | ||
| 1091 | N | 26.9 | Very low | 26.1 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 58.5 | 77.6 | 173.3 | -59.1 | -6.5 | 0 | 0 | 0 | 117 | ||||
| 1092 | R | 25.7 | Very low | 26.1 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | trans | -130.1 | 13.4 | 152.9 | -102.2 | -167 | -179.5 | -158.5 | -0.3 | 115.1 | ||||
| 1093 | D | 26.2 | Very low | 26.1 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -96.6 | 131.5 | 164.1 | -71.4 | -40.9 | 0 | 0 | 0 | 109.5 | ||
| 1094 | K | 26.9 | Very low | 26.2 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 76.8 | 128.7 | 170.9 | -55.4 | -175.6 | 176 | -171.9 | 0 | 119.1 | ||
| 1095 | M | 24 | Very low | 26.3 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 147.5 | 152.5 | -57.5 | 167 | 82 | 0 | 0 | 117.6 | ||||
| 1096 | F | 25.6 | Very low | 26.5 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -159.4 | 160.2 | -24.7 | -117 | -49 | 0 | 0 | 0 | 109.9 | ||||
| 1097 | L | 25.2 | Very low | 26.6 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 25.8 | 120.9 | 152.9 | -73.9 | 158.3 | 0 | 0 | 0 | 122.5 | ||||
| 1098 | S | 24.8 | Very low | 26.9 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 85.2 | 153.2 | 132.1 | 72.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1099 | S | 28.9 | Very low | 27.1 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 59.4 | 79.7 | 168.1 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1100 | Q | 27.3 | Very low | 27.4 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | 20.1 | 160.1 | 115.1 | -74.9 | -162.9 | 4.6 | 0 | 0 | 122 | |||||
| 1101 | P | 33.2 | Very low | 27.7 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -145.2 | 174.1 | -45.5 | 40.4 | -22.1 | 0 | 0 | 0 | 114.1 | ||||
| 1102 | R | 25.5 | Very low | 28 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | 172.2 | 131.8 | 127.9 | -94.1 | 166.3 | -166.6 | -152.5 | 2.7 | 113.9 | |||||
| 1103 | N | 25.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 53 | 71 | 147.9 | -57.8 | 13.7 | 0 | 0 | 0 | 120.6 | ||
| 1104 | A | 27.9 | Very low | 28.6 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -167.5 | 89.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1106 | A1104-C1106 PolarHBondContact O-N 3.03Š| ||
| 1105 | Q | 27.7 | Very low | 28.8 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | -80.3 | 88 | -176 | -77 | 178.3 | -36.3 | 0 | 0 | 112.7 | I1107 | Q1105-I1107 PolarHBondContact O-N 3.42Š| ||
| 1106 | C | 27.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -73.4 | 104.9 | 158.5 | -70.1 | 0 | 0 | 0 | 0 | 109.1 | A1104 N1108 | A1104-C1106 PolarHBondContact O-N 3.03Å; C1106-N1108 PolarHBondContact O-N 3.28Å | ||
| 1107 | I | 29.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | trans | -64.7 | 133.6 | -179.3 | -55.6 | 177.5 | 0 | 0 | 0 | 109.7 | Q1105 F1112 | Q1105-I1107 PolarHBondContact O-N 3.42Å; I1107-F1112 HydrophobicContact CB-CE2 4.31Å; I1107-F1112 HydrophobicContact CG2-CD2 4.32Å; I1107-F1112 HydrophobicContact CG2-CE2 3.7Å; I1107-F1112 HydrophobicContact CG2-CZ 4.32Å | ||
| 1108 | N | 29.5 | Very low | 30.4 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 39% | 0.39 | 68% | 0.677 | S | S | . | * | trans | -87.9 | 125.7 | -165.4 | 167.7 | 54.2 | 0 | 0 | 0 | 110.8 | C1106 K1110 D1111 | C1106-N1108 PolarHBondContact O-N 3.28Å; N1108-K1110 PolarHBondContact O-N 3.42Å; N1108-D1111 VanDerWaalsContact CB-OD2 3.32Å; N1108-D1111 WeakPolarHBondContact CB-OD2 3.38Å; N1108-D1111 PolarHBondContact ND2-OD1 2.73Å; N1108-D1111 PolarHBondContact ND2-OD2 2.94Å; N1108-D1111 PolarHBondContact O-N 2.88Å; N1108-D1111 VanDerWaalsContact O-N 3.1Å | ||
| 1109 | P | 30.4 | Very low | 31 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 28.8 | -167.3 | 32.4 | -38.7 | 0 | 0 | 0 | 115.1 | ||
| 1110 | K | 31.7 | Very low | 31.5 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -14.7 | 169.2 | -73.5 | -166.1 | 171 | -168.6 | 0 | 113.6 | N1108 F1112 | N1108-K1110 PolarHBondContact O-N 3.42Å; K1110-F1112 VanDerWaalsContact C-N 3.31Å |
| 1111 | D | 32.8 | Very low | 32.1 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 55% | 0.551 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -92.5 | 0.2 | -179.4 | -44.5 | -34.2 | 0 | 0 | 0 | 111.2 | N1108 L1113 | N1108-D1111 VanDerWaalsContact CB-OD2 3.32Å; N1108-D1111 WeakPolarHBondContact CB-OD2 3.38Å; N1108-D1111 PolarHBondContact ND2-OD1 2.73Å; N1108-D1111 PolarHBondContact ND2-OD2 2.94Å; N1108-D1111 PolarHBondContact O-N 2.88Å; N1108-D1111 VanDerWaalsContact O-N 3.1Å; D1111-L1113 PolarHBondContact O-N 3.34Å |
| 1112 | F | 31.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 40% | 0.404 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | 14.2 | -178.9 | -91.9 | -102.1 | 0 | 0 | 0 | 115.7 | I1107 K1110 H1118 | I1107-F1112 HydrophobicContact CB-CE2 4.31Å; I1107-F1112 HydrophobicContact CG2-CD2 4.32Å; I1107-F1112 HydrophobicContact CG2-CE2 3.7Å; I1107-F1112 HydrophobicContact CG2-CZ 4.32Å; K1110-F1112 VanDerWaalsContact C-N 3.31Å; F1112-H1118 AromaticContact CD1-CD2 3.81Å; F1112-H1118 AromaticContact CD1-CE1 3.86Å; F1112-H1118 AromaticContact CD1-NE2 3.46Å; F1112-H1118 WeakPolarHBondContact CD1-NE2 3.33Å; F1112-H1118 AromaticContact CE1-NE2 3.41Å; F1112-H1118 WeakPolarHBondContact CE1-NE2 3.45Å |
| 1113 | L | 34.1 | Very low | 32.9 | Very low | 163 Ų | 163 | 118 Ų | 118 | 85% | 0.853 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -5.9 | -172.2 | -84.6 | 166.8 | 0 | 0 | 0 | 115.2 | D1111 | D1111-L1113 PolarHBondContact O-N 3.34Š|
| 1114 | E | 31.7 | Very low | 33.8 | Very low | 186 Ų | 186 | 111.5 Ų | 111.5 | 87% | 0.869 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -111.6 | -4.8 | -177.2 | -60.8 | -173.7 | 156.6 | 0 | 0 | 113.8 | ||
| 1115 | D | 30.6 | Very low | 34.4 | Very low | 87 Ų | 87 | 110 Ų | 110 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | trans | -91.8 | 117.4 | -178.8 | -169.2 | -35.5 | 0 | 0 | 0 | 112 | S1117 H1118 | D1115-S1117 PolarHBondContact O-N 3.39Å; D1115-S1117 VanDerWaalsContact OD1-CB 3.23Å; D1115-S1117 WeakPolarHBondContact OD1-CB 3.27Å; D1115-S1117 PolarHBondContact OD1-N 3.41Å; D1115-S1117 PolarHBondContact OD1-OG 3.36Å; D1115-S1117 PolarHBondContact OD2-OG 3.01Å; D1115-H1118 WeakPolarHBondContact O-CB 3.3Å; D1115-H1118 PolarHBondContact O-N 2.93Å; D1115-H1118 VanDerWaalsContact O-N 3.07Å | ||
| 1116 | P | 34.2 | Very low | 35 | Very low | 98 Ų | 98 | 104 Ų | 104 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -19.1 | -179.3 | 27.3 | -34.5 | 0 | 0 | 0 | 113.9 | H1118 L1119 | P1116-H1118 PolarHBondContact O-N 3.09Å; P1116-L1119 WeakPolarHBondContact O-CB 3.4Å; P1116-L1119 PolarHBondContact O-N 3.34Å; P1116-L1119 VanDerWaalsContact O-N 3.16Å |
| 1117 | S | 37.9 | Very low | 35.7 | Very low | 61 Ų | 61 | 103.2 Ų | 103.2 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -28.6 | 172 | 69.6 | 0 | 0 | 0 | 0 | 112 | D1115 L1119 Q1120 W1121 | D1115-S1117 PolarHBondContact O-N 3.39Å; D1115-S1117 VanDerWaalsContact OD1-CB 3.23Å; D1115-S1117 WeakPolarHBondContact OD1-CB 3.27Å; D1115-S1117 PolarHBondContact OD1-N 3.41Å; D1115-S1117 PolarHBondContact OD1-OG 3.36Å; D1115-S1117 PolarHBondContact OD2-OG 3.01Å; S1117-L1119 VanDerWaalsContact C-N 3.34Å; S1117-L1119 PolarHBondContact O-N 3.24Å; S1117-Q1120 WeakPolarHBondContact O-CB 3.48Å; S1117-Q1120 PolarHBondContact O-N 3.24Å; S1117-Q1120 VanDerWaalsContact O-N 3.14Å; S1117-W1121 PolarHBondContact O-N 3.29Å; S1117-W1121 VanDerWaalsContact O-N 3.12Å |
| 1118 | H | 35.8 | Very low | 36.4 | Very low | 53 Ų | 53 | 103.3 Ų | 103.3 | 25% | 0.245 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -75.4 | -20.5 | 177.3 | -114.4 | -78.9 | 0 | 0 | 0 | 113.7 | F1112 D1115 P1116 W1121 L1122 | F1112-H1118 AromaticContact CD1-CD2 3.81Å; F1112-H1118 AromaticContact CD1-CE1 3.86Å; F1112-H1118 AromaticContact CD1-NE2 3.46Å; F1112-H1118 WeakPolarHBondContact CD1-NE2 3.33Å; F1112-H1118 AromaticContact CE1-NE2 3.41Å; F1112-H1118 WeakPolarHBondContact CE1-NE2 3.45Å; D1115-H1118 WeakPolarHBondContact O-CB 3.3Å; D1115-H1118 PolarHBondContact O-N 2.93Å; D1115-H1118 VanDerWaalsContact O-N 3.07Å; P1116-H1118 PolarHBondContact O-N 3.09Å; H1118-W1121 AromaticContact ND1-CE3 3.93Å; H1118-W1121 PolarHBondContact O-N 3.38Å; H1118-L1122 PolarHBondContact O-N 3.47Å |
| 1119 | L | 38.1 | Very low | 37.2 | Very low | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 164.9 | -75.5 | 166.9 | 0 | 0 | 0 | 110.8 | P1116 S1117 W1121 L1122 L1123 | P1116-L1119 WeakPolarHBondContact O-CB 3.4Å; P1116-L1119 PolarHBondContact O-N 3.34Å; P1116-L1119 VanDerWaalsContact O-N 3.16Å; S1117-L1119 VanDerWaalsContact C-N 3.34Å; S1117-L1119 PolarHBondContact O-N 3.24Å; L1119-W1121 VanDerWaalsContact C-N 3.29Å; L1119-W1121 PolarHBondContact O-N 3.36Å; L1119-L1122 CarbonylContact O-C 3.16Å; L1119-L1122 WeakPolarHBondContact O-CA 3.5Å; L1119-L1122 PolarHBondContact O-N 2.61Å; L1119-L1122 VanDerWaalsContact O-N 3.1Å; L1119-L1123 WeakPolarHBondContact O-CB 3.34Å; L1119-L1123 VanDerWaalsContact O-CG 3.29Å; L1119-L1123 WeakPolarHBondContact O-CG 3.22Å; L1119-L1123 PolarHBondContact O-N 3.37Å |
| 1120 | Q | 39.7 | Very low | 37.9 | Very low | 152 Ų | 152 | 102.8 Ų | 102.8 | 71% | 0.71 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -34.3 | 175.8 | -151.1 | 176.4 | 30.3 | 0 | 0 | 112 | S1117 L1123 S1124 | S1117-Q1120 WeakPolarHBondContact O-CB 3.48Å; S1117-Q1120 PolarHBondContact O-N 3.24Å; S1117-Q1120 VanDerWaalsContact O-N 3.14Å; Q1120-L1123 PolarHBondContact O-N 2.57Å; Q1120-S1124 PolarHBondContact O-N 3.2Å |
| 1121 | W | 38.8 | Very low | 38.7 | Very low | 105 Ų | 105 | 95.7 Ų | 95.7 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 169.3 | -173.1 | 92.6 | 0 | 0 | 0 | 112.3 | S1117 H1118 L1119 L1123 S1124 | S1117-W1121 PolarHBondContact O-N 3.29Å; S1117-W1121 VanDerWaalsContact O-N 3.12Å; H1118-W1121 AromaticContact ND1-CE3 3.93Å; H1118-W1121 PolarHBondContact O-N 3.38Å; L1119-W1121 VanDerWaalsContact C-N 3.29Å; L1119-W1121 PolarHBondContact O-N 3.36Å; W1121-L1123 VanDerWaalsContact C-N 3.31Å; W1121-L1123 PolarHBondContact O-N 2.93Å; W1121-S1124 PolarHBondContact O-N 2.58Å; W1121-S1124 PolarHBondContact O-OG 3.22Å |
| 1122 | L | 38.1 | Very low | 39.5 | Very low | 93 Ų | 93 | 93.8 Ų | 93.8 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -19.7 | 175.3 | -81.6 | 169.1 | 0 | 0 | 0 | 114.7 | H1118 L1119 R1129 | H1118-L1122 PolarHBondContact O-N 3.47Å; L1119-L1122 CarbonylContact O-C 3.16Å; L1119-L1122 WeakPolarHBondContact O-CA 3.5Å; L1119-L1122 PolarHBondContact O-N 2.61Å; L1119-L1122 VanDerWaalsContact O-N 3.1Å; L1122-R1129 PolarHBondContact O-NH1 3.19Å; L1122-R1129 PolarHBondContact O-NH2 2.88Å |
| 1123 | L | 38.4 | Very low | 40.3 | Very low | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -89.2 | -15.3 | 173.6 | -70.8 | 165.6 | 0 | 0 | 0 | 112.8 | L1119 Q1120 W1121 | L1119-L1123 WeakPolarHBondContact O-CB 3.34Å; L1119-L1123 VanDerWaalsContact O-CG 3.29Å; L1119-L1123 WeakPolarHBondContact O-CG 3.22Å; L1119-L1123 PolarHBondContact O-N 3.37Å; Q1120-L1123 PolarHBondContact O-N 2.57Å; W1121-L1123 VanDerWaalsContact C-N 3.31Å; W1121-L1123 PolarHBondContact O-N 2.93Å |
| 1124 | S | 45.3 | Very low | 40.7 | Very low | 22 Ų | 22 | 85 Ų | 85 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -68.2 | 148.7 | 176.9 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | Q1120 W1121 R1129 | Q1120-S1124 PolarHBondContact O-N 3.2Å; W1121-S1124 PolarHBondContact O-N 2.58Å; W1121-S1124 PolarHBondContact O-OG 3.22Å; S1124-R1129 PolarHBondContact O-NE 2.8Å; S1124-R1129 PolarHBondContact O-NH2 2.81Å; S1124-R1129 VanDerWaalsContact OG-CG 3.32Å; S1124-R1129 WeakPolarHBondContact OG-CG 3.29Å |
| 1125 | S | 40.2 | Very low | 41.5 | Very low | 61 Ų | 61 | 81.6 Ų | 81.6 | 43% | 0.427 | 43% | 0.425 | S | S | . | . | trans | -61.1 | 155.6 | -174.2 | 73.9 | 0 | 0 | 0 | 0 | 113 | V1127 K1128 R1129 | S1125-V1127 PolarHBondContact O-N 2.99Å; S1125-K1128 PolarHBondContact O-N 2.76Å; S1125-K1128 PolarHBondContact OG-N 3.21Å; S1125-R1129 PolarHBondContact O-N 3.48Å | ||
| 1126 | P | 39.5 | Very low | 42.4 | Very low | 70 Ų | 70 | 83.4 Ų | 83.4 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.3 | -37.2 | 176.3 | -27.3 | 35.7 | 0 | 0 | 0 | 113 | R1129 Y1130 | P1126-R1129 PolarHBondContact O-N 2.78Å; P1126-Y1130 WeakPolarHBondContact O-CB 3.42Å; P1126-Y1130 PolarHBondContact O-N 3.29Å |
| 1127 | V | 42.6 | Very low | 42.7 | Very low | 107 Ų | 107 | 85.1 Ų | 85.1 | 65% | 0.648 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | S1125 Y1130 A1131 | S1125-V1127 PolarHBondContact O-N 2.99Å; V1127-Y1130 PolarHBondContact O-N 3.47Å; V1127-A1131 VanDerWaalsContact O-CB 3.31Å; V1127-A1131 WeakPolarHBondContact O-CB 3.47Å; V1127-A1131 PolarHBondContact O-N 3.34Å |
| 1128 | K | 44.6 | Very low | 42.9 | Very low | 131 Ų | 131 | 87.4 Ų | 87.4 | 57% | 0.57 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.8 | -35.4 | 178.1 | -159.9 | 170.6 | -174.4 | 179.8 | 0 | 111.9 | S1125 A1131 N1132 | S1125-K1128 PolarHBondContact O-N 2.76Å; S1125-K1128 PolarHBondContact OG-N 3.21Å; K1128-A1131 PolarHBondContact O-N 3.41Å; K1128-N1132 WeakPolarHBondContact O-CB 3.41Å; K1128-N1132 PolarHBondContact O-N 3.47Å; K1128-N1132 PolarHBondContact O-OD1 3.09Å |
| 1129 | R | 45.8 | Very low | 43.3 | Very low | 77 Ų | 77 | 91.2 Ų | 91.2 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 170.1 | -73.9 | -176.8 | -108.6 | -165.5 | -10.1 | 112.1 | L1122 S1124 S1125 P1126 A1131 N1132 L1133 | L1122-R1129 PolarHBondContact O-NH1 3.19Å; L1122-R1129 PolarHBondContact O-NH2 2.88Å; S1124-R1129 PolarHBondContact O-NE 2.8Å; S1124-R1129 PolarHBondContact O-NH2 2.81Å; S1124-R1129 VanDerWaalsContact OG-CG 3.32Å; S1124-R1129 WeakPolarHBondContact OG-CG 3.29Å; S1125-R1129 PolarHBondContact O-N 3.48Å; P1126-R1129 PolarHBondContact O-N 2.78Å; R1129-A1131 VanDerWaalsContact C-N 3.34Å; R1129-N1132 PolarHBondContact O-N 2.92Å; R1129-L1133 WeakPolarHBondContact O-CB 3.2Å; R1129-L1133 PolarHBondContact O-N 3.48Å |
| 1130 | Y | 43.8 | Very low | 43.6 | Very low | 97 Ų | 97 | 88.9 Ų | 88.9 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.9 | -172.8 | -117 | 0 | 0 | 0 | 111.9 | P1126 V1127 L1133 L1134 M1213 | P1126-Y1130 WeakPolarHBondContact O-CB 3.42Å; P1126-Y1130 PolarHBondContact O-N 3.29Å; V1127-Y1130 PolarHBondContact O-N 3.47Å; Y1130-L1133 PolarHBondContact O-N 2.91Å; Y1130-L1134 HydrophobicContact CD1-CD1 3.87Å; Y1130-L1134 HydrophobicContact CE1-CD1 3.37Å; Y1130-L1134 HydrophobicContact CE1-CG 4.23Å; Y1130-L1134 HydrophobicContact CE2-CD1 4.28Å; Y1130-L1134 HydrophobicContact CE2-CG 4.29Å; Y1130-L1134 WeakPolarHBondContact O-CB 3.31Å; Y1130-L1134 PolarHBondContact O-N 3.11Å; Y1130-M1213 HydrophobicContact CE1-CB 4.3Å |
| 1131 | A | 49.5 | Very low | 43.2 | Very low | 27 Ų | 27 | 84.6 Ų | 84.6 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63 | -50.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1127 K1128 R1129 L1133 L1134 Q1135 M1213 | V1127-A1131 VanDerWaalsContact O-CB 3.31Å; V1127-A1131 WeakPolarHBondContact O-CB 3.47Å; V1127-A1131 PolarHBondContact O-N 3.34Å; K1128-A1131 PolarHBondContact O-N 3.41Å; R1129-A1131 VanDerWaalsContact C-N 3.34Å; A1131-L1133 VanDerWaalsContact C-N 3.3Å; A1131-L1133 PolarHBondContact O-N 2.84Å; A1131-L1134 PolarHBondContact O-N 2.84Å; A1131-Q1135 VanDerWaalsContact O-CB 3.3Å; A1131-Q1135 WeakPolarHBondContact O-CB 3.37Å; A1131-Q1135 PolarHBondContact O-N 2.91Å; A1131-M1213 HydrophobicContact CB-CE 3.99Å |
| 1132 | N | 50.1 | Low | 43.2 | Very low | 63 Ų | 63 | 89.4 Ų | 89.4 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.4 | -69.2 | -2.3 | 0 | 0 | 0 | 111.7 | K1128 R1129 Q1135 E1136 | K1128-N1132 WeakPolarHBondContact O-CB 3.41Å; K1128-N1132 PolarHBondContact O-N 3.47Å; K1128-N1132 PolarHBondContact O-OD1 3.09Å; R1129-N1132 PolarHBondContact O-N 2.92Å; N1132-Q1135 PolarHBondContact O-N 3.2Å; N1132-E1136 VanDerWaalsContact O-CB 3.31Å; N1132-E1136 WeakPolarHBondContact O-CB 3.49Å; N1132-E1136 PolarHBondContact O-N 3.38Å |
| 1133 | L | 47.1 | Very low | 42.8 | Very low | 60 Ų | 60 | 86 Ų | 86 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -76.5 | -29.9 | -179.1 | -172.5 | 141 | 0 | 0 | 0 | 113.1 | R1129 Y1130 A1131 R1137 | R1129-L1133 WeakPolarHBondContact O-CB 3.2Å; R1129-L1133 PolarHBondContact O-N 3.48Å; Y1130-L1133 PolarHBondContact O-N 2.91Å; A1131-L1133 VanDerWaalsContact C-N 3.3Å; A1131-L1133 PolarHBondContact O-N 2.84Å; L1133-R1137 WeakPolarHBondContact O-CB 3.33Å; L1133-R1137 VanDerWaalsContact O-CG 3.25Å; L1133-R1137 WeakPolarHBondContact O-CG 3.47Å; L1133-R1137 PolarHBondContact O-N 2.89Å |
| 1134 | L | 43.8 | Very low | 42.4 | Very low | 11 Ų | 11 | 84.3 Ų | 84.3 | 6% | 0.058 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 166.7 | -89.5 | 174.3 | 0 | 0 | 0 | 111 | Y1130 A1131 R1137 L1138 L1143 M1213 | Y1130-L1134 HydrophobicContact CD1-CD1 3.87Å; Y1130-L1134 HydrophobicContact CE1-CD1 3.37Å; Y1130-L1134 HydrophobicContact CE1-CG 4.23Å; Y1130-L1134 HydrophobicContact CE2-CD1 4.28Å; Y1130-L1134 HydrophobicContact CE2-CG 4.29Å; Y1130-L1134 WeakPolarHBondContact O-CB 3.31Å; Y1130-L1134 PolarHBondContact O-N 3.11Å; A1131-L1134 PolarHBondContact O-N 2.84Å; L1134-R1137 PolarHBondContact O-N 2.75Å; L1134-L1138 WeakPolarHBondContact O-CB 3.34Å; L1134-L1138 PolarHBondContact O-N 3.38Å; L1134-L1143 HydrophobicContact CD2-CD1 3.94Å; L1134-M1213 HydrophobicContact CB-CE 3.9Å; L1134-M1213 HydrophobicContact CD1-CB 4.48Å; L1134-M1213 HydrophobicContact CD1-CE 3.7Å; L1134-M1213 HydrophobicContact CD1-CG 4.38Å; L1134-M1213 HydrophobicContact CD1-SD 3.67Å; L1134-M1213 HydrophobicContact CG-CE 4.47Å |
| 1135 | Q | 48.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 90.2 Ų | 90.2 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.3 | -173.9 | 174.9 | 3.5 | 0 | 0 | 111.3 | A1131 N1132 L1138 L1139 | A1131-Q1135 VanDerWaalsContact O-CB 3.3Å; A1131-Q1135 WeakPolarHBondContact O-CB 3.37Å; A1131-Q1135 PolarHBondContact O-N 2.91Å; N1132-Q1135 PolarHBondContact O-N 3.2Å; Q1135-L1138 PolarHBondContact O-N 3.41Å; Q1135-L1139 HydrophobicContact CG-CD1 3.92Å; Q1135-L1139 HydrophobicContact CG-CG 4.49Å; Q1135-L1139 WeakPolarHBondContact O-CB 3.09Å; Q1135-L1139 VanDerWaalsContact O-CG 3.24Å; Q1135-L1139 WeakPolarHBondContact O-CG 3.26Å; Q1135-L1139 PolarHBondContact O-N 2.89Å |
| 1136 | E | 48.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 173.1 | -173.3 | -170.5 | -163.3 | 0 | 0 | 112 | N1132 L1139 S1140 | N1132-E1136 VanDerWaalsContact O-CB 3.31Å; N1132-E1136 WeakPolarHBondContact O-CB 3.49Å; N1132-E1136 PolarHBondContact O-N 3.38Å; E1136-L1139 PolarHBondContact O-N 3.3Å; E1136-S1140 VanDerWaalsContact O-CB 3.23Å; E1136-S1140 WeakPolarHBondContact O-CB 3.46Å; E1136-S1140 PolarHBondContact O-N 3.42Å; E1136-S1140 PolarHBondContact O-OG 3.42Å |
| 1137 | R | 41.6 | Very low | 40.4 | Very low | 135 Ų | 135 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 177.9 | -73.3 | 178.7 | -179 | -150.2 | 2.2 | 113.6 | L1133 L1134 S1140 G1141 R1142 L1143 | L1133-R1137 WeakPolarHBondContact O-CB 3.33Å; L1133-R1137 VanDerWaalsContact O-CG 3.25Å; L1133-R1137 WeakPolarHBondContact O-CG 3.47Å; L1133-R1137 PolarHBondContact O-N 2.89Å; L1134-R1137 PolarHBondContact O-N 2.75Å; R1137-S1140 WeakPolarHBondContact CA-OG 3.37Å; R1137-G1141 PolarHBondContact O-N 3.09Å; R1137-R1142 PolarHBondContact O-N 3.02Å; R1137-R1142 VanDerWaalsContact O-N 3.11Å; R1137-L1143 HydrophobicContact CB-CD1 3.97Å |
| 1138 | L | 41.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -52.9 | 168.4 | -101.9 | 143.7 | 0 | 0 | 0 | 111 | L1134 Q1135 S1140 G1141 L1143 | L1134-L1138 WeakPolarHBondContact O-CB 3.34Å; L1134-L1138 PolarHBondContact O-N 3.38Å; Q1135-L1138 PolarHBondContact O-N 3.41Å; L1138-S1140 PolarHBondContact O-N 3.48Å; L1138-G1141 PolarHBondContact O-N 3.25Å; L1138-G1141 VanDerWaalsContact O-N 3.16Å; L1138-L1143 HydrophobicContact CG-CD1 4.18Å |
| 1139 | L | 43.3 | Very low | 38.9 | Very low | 133 Ų | 133 | 103 Ų | 103 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -33.5 | -177.7 | -70.8 | 170.6 | 0 | 0 | 0 | 112.9 | Q1135 E1136 G1141 | Q1135-L1139 HydrophobicContact CG-CD1 3.92Å; Q1135-L1139 HydrophobicContact CG-CG 4.49Å; Q1135-L1139 WeakPolarHBondContact O-CB 3.09Å; Q1135-L1139 VanDerWaalsContact O-CG 3.24Å; Q1135-L1139 WeakPolarHBondContact O-CG 3.26Å; Q1135-L1139 PolarHBondContact O-N 2.89Å; E1136-L1139 PolarHBondContact O-N 3.3Å; L1139-G1141 VanDerWaalsContact C-N 3.27Å; L1139-G1141 PolarHBondContact O-N 3.28Å |
| 1140 | S | 43.9 | Very low | 38 | Very low | 62 Ų | 62 | 108.6 Ų | 108.6 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.4 | 175.2 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | E1136 R1137 L1138 R1142 | E1136-S1140 VanDerWaalsContact O-CB 3.23Å; E1136-S1140 WeakPolarHBondContact O-CB 3.46Å; E1136-S1140 PolarHBondContact O-N 3.42Å; E1136-S1140 PolarHBondContact O-OG 3.42Å; R1137-S1140 WeakPolarHBondContact CA-OG 3.37Å; L1138-S1140 PolarHBondContact O-N 3.48Å; S1140-R1142 PolarHBondContact O-N 2.85Å; S1140-R1142 VanDerWaalsContact O-N 3.16Å |
| 1141 | G | 31.9 | Very low | 37.2 | Very low | 61 Ų | 61 | 111.5 Ų | 111.5 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 12.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1137 L1138 L1139 L1143 | R1137-G1141 PolarHBondContact O-N 3.09Å; L1138-G1141 PolarHBondContact O-N 3.25Å; L1138-G1141 VanDerWaalsContact O-N 3.16Å; L1139-G1141 VanDerWaalsContact C-N 3.27Å; L1139-G1141 PolarHBondContact O-N 3.28Å; G1141-L1143 PolarHBondContact O-N 3.29Å; G1141-L1143 VanDerWaalsContact O-N 3.1Å |
| 1142 | R | 38.1 | Very low | 36.3 | Very low | 207 Ų | 207 | 115.7 Ų | 115.7 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | trans | -80.5 | 19.6 | -179 | -63.4 | -178.2 | 177.9 | -178.2 | 1.5 | 113 | R1137 S1140 | R1137-R1142 PolarHBondContact O-N 3.02Å; R1137-R1142 VanDerWaalsContact O-N 3.11Å; S1140-R1142 PolarHBondContact O-N 2.85Å; S1140-R1142 VanDerWaalsContact O-N 3.16Å | ||
| 1143 | L | 31.6 | Very low | 35.2 | Very low | 21 Ų | 21 | 116.1 Ų | 116.1 | 11% | 0.11 | 62% | 0.616 | C | S | . | * | S | Bend | trans | -142.7 | 81.1 | -163.8 | -150 | 163.3 | 0 | 0 | 0 | 108.5 | L1134 R1137 L1138 G1141 L1145 L1216 | L1134-L1143 HydrophobicContact CD2-CD1 3.94Å; R1137-L1143 HydrophobicContact CB-CD1 3.97Å; L1138-L1143 HydrophobicContact CG-CD1 4.18Å; G1141-L1143 PolarHBondContact O-N 3.29Å; G1141-L1143 VanDerWaalsContact O-N 3.1Å; L1143-L1145 PolarHBondContact O-N 2.83Å; L1143-L1216 HydrophobicContact CD2-CD1 3.91Å; L1143-L1216 HydrophobicContact CD2-CD2 4.06Å; L1143-L1216 HydrophobicContact CD2-CG 3.79Å; L1143-L1216 HydrophobicContact CG-CD1 3.65Å; L1143-L1216 HydrophobicContact CG-CG 4.07Å |
| 1144 | S | 30.1 | Very low | 34.3 | Very low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | trans | -83.2 | 109.3 | -170 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | H1146 | S1144-H1146 PolarHBondContact O-N 3.26Š| ||
| 1145 | L | 28.4 | Very low | 33.5 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -74.8 | 108.6 | 170.2 | -71.8 | 165 | 0 | 0 | 0 | 110.7 | L1143 | L1143-L1145 PolarHBondContact O-N 2.83Š| ||
| 1146 | H | 28.1 | Very low | 32.3 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | trans | -78.1 | 132.7 | 163.2 | -133 | -87.5 | 0 | 0 | 0 | 109 | S1144 D1148 | S1144-H1146 PolarHBondContact O-N 3.26Å; H1146-D1148 IonicContact CE1-OD2 3.74Å; H1146-D1148 PolarHBondContact CE1-OD2 3.16Å; H1146-D1148 IonicContact ND1-OD2 2.82Å; H1146-D1148 PolarHBondContact ND1-OD2 3.02Å | ||
| 1147 | R | 26.3 | Very low | 31.3 | Very low | 215 Ų | 215 | 135.6 Ų | 135.6 | 81% | 0.811 | 71% | 0.705 | S | S | * | * | trans | -110.2 | 109.5 | 171.6 | -90 | -173.9 | 168.8 | -165 | -2.6 | 108.7 | ||||
| 1148 | D | 27.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | trans | -142.9 | 147.4 | 161.5 | -70.9 | -72.1 | 0 | 0 | 0 | 108.2 | H1146 | H1146-D1148 IonicContact CE1-OD2 3.74Å; H1146-D1148 PolarHBondContact CE1-OD2 3.16Å; H1146-D1148 IonicContact ND1-OD2 2.82Å; H1146-D1148 PolarHBondContact ND1-OD2 3.02Å | ||
| 1149 | S | 26.7 | Very low | 29.8 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 88% | 0.881 | 72% | 0.724 | S | S | * | * | trans | 58.5 | 89.4 | -174.5 | -155.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1150 | F | 28.5 | Very low | 29 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -141.9 | 118.1 | 161.6 | -100.4 | -87.4 | 0 | 0 | 0 | 108 | ||||
| 1151 | D | 27.1 | Very low | 28 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -154.7 | 156.3 | 151.5 | -149.5 | -11.7 | 0 | 0 | 0 | 112 | ||||
| 1152 | S | 30.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 58.8 | 110.6 | -174.1 | 74.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1153 | G | 27.1 | Very low | 26.9 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | cis | 140.9 | 85 | -16.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1154 | K | 26.8 | Very low | 26.5 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -154.4 | 97.8 | 154.6 | -115.5 | 163.1 | -170.8 | 179.9 | 0 | 114.3 | ||||
| 1155 | K | 27.3 | Very low | 26.3 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 40.6 | 96.5 | 147.8 | -64.3 | -169.6 | 174.1 | -173 | 0 | 118.7 | ||||
| 1156 | I | 24.8 | Very low | 26.5 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -49.1 | 139.3 | 143.1 | -63.8 | 162.2 | 0 | 0 | 0 | 110.3 | V1158 | I1156-V1158 HydrophobicContact CG2-CG2 3.64Š| ||
| 1157 | I | 26.2 | Very low | 26.3 | Very low | 165 Ų | 165 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 129.4 | 156.3 | -64.2 | 178.5 | 0 | 0 | 0 | 107.4 | ||||
| 1158 | V | 29 | Very low | 26.3 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -119.6 | 124.9 | 173 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | I1156 | I1156-V1158 HydrophobicContact CG2-CG2 3.64Š| ||
| 1159 | G | 23.9 | Very low | 26.2 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | 161.5 | 162 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1160 | R | 24.7 | Very low | 26 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | cis | -176.6 | 142.8 | -23.2 | -131.9 | 179.9 | -179.9 | -170.2 | -0.7 | 106.8 | ||||
| 1161 | S | 23.4 | Very low | 25.8 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 60.4 | 161.5 | 175.8 | 25.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1162 | L | 24.4 | Very low | 25.7 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | cis | -105.5 | 145.1 | -0.5 | -65.3 | 158.1 | 0 | 0 | 0 | 109 | ||||
| 1163 | F | 22.9 | Very low | 25.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | cis | 61.4 | 77.7 | 40.4 | -71.8 | -74.8 | 0 | 0 | 0 | 115.1 | ||||
| 1164 | L | 23.5 | Very low | 25.5 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | -127.3 | 123.1 | 128.6 | -104.7 | 165.7 | 0 | 0 | 0 | 108.3 | |||||
| 1165 | S | 25 | Very low | 25.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 177 | -169.4 | 73.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1166 | P | 34.1 | Very low | 25.5 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | -113.5 | 157.3 | -129.9 | 37.3 | -27.5 | 0 | 0 | 0 | 116.2 | |||||
| 1167 | P | 23.3 | Very low | 25.8 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -103.3 | 150.6 | 155.1 | 35.5 | -26.7 | 0 | 0 | 0 | 111.7 | ||||
| 1168 | S | 25.2 | Very low | 25.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -161.8 | 169.5 | -2.4 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1169 | T | 26.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 78.9 | 104.1 | -177 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1170 | L | 22 | Very low | 25.7 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | 80.2 | 125.6 | 15 | -121.3 | 174 | 0 | 0 | 0 | 115.1 | ||||
| 1171 | L | 24.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 144.4 | -179.4 | -49.3 | 152.3 | 0 | 0 | 0 | 113.4 | ||||
| 1172 | N | 25.4 | Very low | 25.5 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | cis | -167.4 | 159.2 | -7.8 | -110.3 | 2.6 | 0 | 0 | 0 | 107.6 | ||||
| 1173 | T | 26.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | cis | -160.4 | 150.3 | -2 | -3.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1174 | G | 26.5 | Very low | 25.3 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | 81.9 | 118.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1175 | G | 26.5 | Very low | 25.1 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -176.8 | -175 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1176 | D | 28 | Very low | 25 | Very low | 146 Ų | 146 | 114.8 Ų | 114.8 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | 60 | 78.9 | 163 | -73.9 | 34.7 | 0 | 0 | 0 | 119.5 | ||||
| 1177 | N | 30 | Very low | 24.7 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | 100.7 | 141.8 | 114 | -71.5 | -47.5 | 0 | 0 | 0 | 119.7 | |||||
| 1178 | S | 29.5 | Very low | 25 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | 43.5 | 83.9 | 160.5 | 31.8 | 0 | 0 | 0 | 0 | 116.5 | Y1180 | S1178-Y1180 PolarHBondContact O-N 2.88Š| ||
| 1179 | S | 23.8 | Very low | 25.2 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | -7.1 | 124.9 | 110 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1180 | Y | 25.3 | Very low | 25.3 | Very low | 214 Ų | 214 | 117 Ų | 117 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | S | Bend | 52.1 | 143.7 | 86.4 | -93 | -77.9 | 0 | 0 | 0 | 115.7 | S1178 | S1178-Y1180 PolarHBondContact O-N 2.88Š| |
| 1181 | A | 22.2 | Very low | 25.5 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | trans | 68.5 | 171.6 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1183 | A1181-A1183 PolarHBondContact O-N 3Š| ||
| 1182 | S | 21.5 | Very low | 25.8 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | 34.5 | 84.9 | 154.8 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1183 | A | 22.3 | Very low | 25.7 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 72% | 0.719 | 72% | 0.718 | S | S | * | * | 76.9 | -171.2 | 92.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1181 | A1181-A1183 PolarHBondContact O-N 3Š| |||
| 1184 | N | 19.1 | Very low | 25.7 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 61.5 | 124.2 | -179 | -56.9 | -18.2 | 0 | 0 | 0 | 112.4 | ||||
| 1185 | T | 20.5 | Very low | 25.7 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 47% | 0.472 | 71% | 0.71 | S | S | . | * | cis | -153.4 | 177.4 | 12.5 | 9.2 | 0 | 0 | 0 | 0 | 105.4 | K1076 | K1076-T1185 WeakPolarHBondContact CE-O 3.03Š| ||
| 1186 | S | 23.5 | Very low | 25.6 | Very low | 53 Ų | 53 | 124.1 Ų | 124.1 | 37% | 0.371 | 72% | 0.718 | S | S | . | * | cis | -161.3 | -170.3 | -12.8 | 43.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1187 | N | 27.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | trans | 57.8 | 124.8 | 143.3 | -62.7 | -3.8 | 0 | 0 | 0 | 119.6 | ||||
| 1188 | T | 28.3 | Very low | 25.1 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | cis | -164.6 | 166.6 | -9.6 | -3.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1189 | N | 30.9 | Very low | 24.8 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | 76.4 | 133.3 | 172.4 | -47.1 | -17.5 | 0 | 0 | 0 | 115.5 | ||||
| 1190 | L | 27.8 | Very low | 24.7 | Very low | 150 Ų | 150 | 121 Ų | 121 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | cis | -165.5 | 150.2 | -15.2 | -139.9 | 105 | 0 | 0 | 0 | 108 | ||||
| 1191 | T | 26.8 | Very low | 24.7 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | cis | -162.5 | 136.5 | -47.8 | 30.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 1192 | K | 28.9 | Very low | 24.8 | Very low | 194 Ų | 194 | 118.8 Ų | 118.8 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -179.9 | 138.3 | 137.4 | -101.3 | 163.9 | -173.5 | -176.7 | 0 | 113.9 | ||||
| 1193 | M | 25 | Very low | 24.9 | Very low | 183 Ų | 183 | 123 Ų | 123 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | 12.4 | 127.3 | 153.8 | -62.9 | 149.3 | 171.8 | 0 | 0 | 117.7 | ||||
| 1194 | G | 26.8 | Very low | 24.9 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | 130.7 | 174.2 | 50.1 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 1195 | T | 26.4 | Very low | 25.3 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | cis | -169.8 | 133.5 | -4.7 | -75.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1196 | I | 24.5 | Very low | 25.4 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | trans | 62.2 | 160.3 | 169.3 | -66.8 | 167.9 | 0 | 0 | 0 | 112.8 | ||||
| 1197 | G | 24.3 | Very low | 25.4 | Very low | 57 Ų | 57 | 131.3 Ų | 131.3 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | cis | 158.7 | 141.2 | 10.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1198 | A | 22.1 | Very low | 25.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | 70.4 | 139.9 | 82.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1199 | L | 22.3 | Very low | 25.2 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 71.3 | 157.6 | -177.8 | -75.5 | 81.4 | 0 | 0 | 0 | 117.4 | ||||
| 1200 | V | 22.9 | Very low | 24.8 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | cis | -175.8 | 149.8 | -43.8 | 125.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1201 | H | 24.2 | Very low | 24.7 | Very low | 191 Ų | 191 | 131 Ų | 131 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | trans | 60.6 | 157.4 | -178.3 | -56.1 | -51.2 | 0 | 0 | 0 | 115.7 | ||||
| 1202 | G | 24.1 | Very low | 24.6 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | cis | -172.6 | 176.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1203 | E | 24.1 | Very low | 24.4 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 65.3 | 115.4 | 171.2 | -58.7 | 179.2 | 168.2 | 0 | 0 | 116.3 | ||||
| 1204 | V | 23.6 | Very low | 24.4 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | 87.6 | 106.8 | 55.2 | 173.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1205 | I | 26.3 | Very low | 24.4 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | 179.4 | 155.2 | 136.1 | -92.5 | 161.9 | 0 | 0 | 0 | 107.6 | ||||
| 1206 | S | 23.6 | Very low | 24.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -120.4 | 177.1 | -157 | 57.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1207 | S | 23.9 | Very low | 24.6 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | 100.8 | 154.7 | 166.3 | 81.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1208 | S | 26.1 | Very low | 24.7 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | 51.9 | 92.5 | -178.3 | 63.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1209 | F | 23.7 | Very low | 24.9 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -131.9 | 79.9 | 165 | -153.1 | -86.4 | 0 | 0 | 0 | 112.1 | ||||
| 1210 | A | 24.1 | Very low | 25 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | trans | -139.5 | 36.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1230 | A1210-R1230 PolarHBondContact O-NH1 2.88Š| ||
| 1211 | E | 24.6 | Very low | 25 | Very low | 134 Ų | 134 | 131 Ų | 131 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | -149 | 64.1 | -173.3 | -160 | 142.8 | -82.1 | 0 | 0 | 114.5 | R1230 | E1211-R1230 VanDerWaalsContact OE1-CD 3.26Å; E1211-R1230 WeakPolarHBondContact OE1-CD 3.14Å; E1211-R1230 WeakPolarHBondContact OE1-CG 3.5Å; E1211-R1230 IonicContact OE1-CZ 3.05Å; E1211-R1230 IonicContact OE1-NE 2.79Å; E1211-R1230 IonicContact OE1-NH1 3.95Å; E1211-R1230 PolarHBondContact OE1-NH1 3.11Å | ||
| 1212 | M | 24.2 | Very low | 25.1 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | -152.8 | 82.4 | 170.4 | -166 | 175.1 | 69.4 | 0 | 0 | 113.9 | ||||
| 1213 | M | 24.8 | Very low | 25 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 46% | 0.458 | 71% | 0.71 | S | S | . | * | trans | -155.9 | 81.3 | 154.3 | -88.8 | -43.1 | -139.7 | 0 | 0 | 111.7 | Y1130 A1131 L1134 | Y1130-M1213 HydrophobicContact CE1-CB 4.3Å; A1131-M1213 HydrophobicContact CB-CE 3.99Å; L1134-M1213 HydrophobicContact CB-CE 3.9Å; L1134-M1213 HydrophobicContact CD1-CB 4.48Å; L1134-M1213 HydrophobicContact CD1-CE 3.7Å; L1134-M1213 HydrophobicContact CD1-CG 4.38Å; L1134-M1213 HydrophobicContact CD1-SD 3.67Å; L1134-M1213 HydrophobicContact CG-CE 4.47Å | ||
| 1214 | N | 25.8 | Very low | 25.1 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -162.7 | 105 | 164.9 | -111.8 | -29 | 0 | 0 | 0 | 111.5 | ||||
| 1215 | P | 26.5 | Very low | 25.2 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 45% | 0.448 | 71% | 0.71 | S | S | . | * | trans | -144.8 | 128 | 143.8 | 34.2 | -18.2 | 0 | 0 | 0 | 114.1 | ||||
| 1216 | L | 27.6 | Very low | 25 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 42% | 0.419 | 70% | 0.703 | S | S | . | * | trans | 173 | 126.9 | 132.2 | -96.9 | -165.6 | 0 | 0 | 0 | 113.3 | L1143 | L1143-L1216 HydrophobicContact CD2-CD1 3.91Å; L1143-L1216 HydrophobicContact CD2-CD2 4.06Å; L1143-L1216 HydrophobicContact CD2-CG 3.79Å; L1143-L1216 HydrophobicContact CG-CD1 3.65Å; L1143-L1216 HydrophobicContact CG-CG 4.07Å | ||
| 1217 | F | 28.8 | Very low | 25.1 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | trans | 56 | 145.5 | 158.5 | -50.7 | -53.2 | 0 | 0 | 0 | 119.7 | ||||
| 1218 | G | 26 | Very low | 25.2 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | cis | 168.8 | 89.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1219 | I | 26.7 | Very low | 25.2 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 85% | 0.846 | 67% | 0.671 | S | S | * | * | trans | 63.8 | 95 | 147.8 | -47.2 | 166.1 | 0 | 0 | 0 | 118.7 | ||||
| 1220 | R | 23.4 | Very low | 25.2 | Very low | 232 Ų | 232 | 125.1 Ų | 125.1 | 88% | 0.875 | 66% | 0.659 | S | S | * | * | -175.6 | 130.2 | 115.7 | -103.3 | 173.8 | -173.1 | -160.8 | -1.8 | 114.1 | |||||
| 1221 | S | 23.5 | Very low | 25.3 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 56.9 | 151.6 | 162.1 | 54.6 | 0 | 0 | 0 | 0 | 121.7 | ||
| 1222 | T | 25.4 | Very low | 25.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | 73.3 | 109.3 | 179 | 71.6 | 0 | 0 | 0 | 0 | 116.8 | K1224 | T1222-K1224 PolarHBondContact O-N 3.05Š| ||
| 1223 | P | 23.1 | Very low | 25.7 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | trans | -90.1 | 95.7 | -173.3 | 34.5 | -34.5 | 0 | 0 | 0 | 113.2 | F1285 | P1223-F1285 HydrophobicContact CB-CD2 3.56Å; P1223-F1285 HydrophobicContact CB-CE2 3.28Å; P1223-F1285 HydrophobicContact CB-CG 4.43Å; P1223-F1285 HydrophobicContact CB-CZ 3.93Å; P1223-F1285 HydrophobicContact CG-CD2 4.06Å; P1223-F1285 HydrophobicContact CG-CE2 4.27Å | ||
| 1224 | K | 25.8 | Very low | 26.2 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | trans | -136.7 | 45.4 | 179.4 | -73.2 | -166.8 | 172.8 | -174.2 | 0 | 115 | T1222 | T1222-K1224 PolarHBondContact O-N 3.05Š| ||
| 1225 | S | 24.8 | Very low | 27 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 83% | 0.832 | 63% | 0.626 | S | S | * | * | trans | -168.3 | 86.8 | 170.3 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1226 | M | 22.6 | Very low | 28 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 71% | 0.714 | 61% | 0.608 | S | S | * | * | trans | -164.4 | 41.2 | 171.2 | -157.3 | -173.7 | -147 | 0 | 0 | 114 | R1266 | M1226-R1266 VanDerWaalsContact C-NH2 3.28Å; M1226-R1266 PolarHBondContact O-NH2 2.57Å | ||
| 1227 | F | 26.7 | Very low | 28.4 | Very low | 55 Ų | 55 | 117.3 Ų | 117.3 | 24% | 0.241 | 62% | 0.62 | C | S | . | * | trans | -146.8 | 85.9 | 159.5 | -80.4 | -48.6 | 0 | 0 | 0 | 109.8 | V1229 Q1763 G1765 | F1227-V1229 HydrophobicContact CD1-CG2 4.17Å; F1227-Q1763 HydrophobicContact CD2-CG 4.26Å; F1227-Q1763 HydrophobicContact CE2-CG 3.87Å; F1227-Q1763 HydrophobicContact CZ-CG 4.31Å; F1227-G1765 VanDerWaalsContact CZ-N 3.31Å | ||
| 1228 | E | 24.8 | Very low | 29.2 | Very low | 190 Ų | 190 | 113.2 Ų | 113.2 | 89% | 0.888 | 60% | 0.602 | S | S | * | * | trans | -131.8 | 60.3 | 162.4 | -165.4 | 159.1 | -115 | 0 | 0 | 106.1 | R1230 | E1228-R1230 PolarHBondContact O-N 3.22Š| ||
| 1229 | V | 27 | Very low | 30.6 | Very low | 89 Ų | 89 | 114.2 Ų | 114.2 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | trans | -70.9 | 118.6 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 107.1 | F1227 M1233 | F1227-V1229 HydrophobicContact CD1-CG2 4.17Å; V1229-M1233 HydrophobicContact CG1-CG 4.23Å; V1229-M1233 HydrophobicContact CG1-SD 4.5Å | ||
| 1230 | R | 23.4 | Very low | 32.5 | Very low | 157 Ų | 157 | 111.2 Ų | 111.2 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -70.2 | 149.8 | 170.7 | -67.2 | -170.4 | 171.5 | 124.8 | -12.8 | 110.2 | A1210 E1211 E1228 | A1210-R1230 PolarHBondContact O-NH1 2.88Å; E1211-R1230 VanDerWaalsContact OE1-CD 3.26Å; E1211-R1230 WeakPolarHBondContact OE1-CD 3.14Å; E1211-R1230 WeakPolarHBondContact OE1-CG 3.5Å; E1211-R1230 IonicContact OE1-CZ 3.05Å; E1211-R1230 IonicContact OE1-NE 2.79Å; E1211-R1230 IonicContact OE1-NH1 3.95Å; E1211-R1230 PolarHBondContact OE1-NH1 3.11Å; E1228-R1230 PolarHBondContact O-N 3.22Å |
| 1231 | S | 26.6 | Very low | 34.7 | Very low | 107 Ų | 107 | 100.5 Ų | 100.5 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 72.4 | 148 | -170.1 | -157 | 0 | 0 | 0 | 0 | 114.3 | M1233 | S1231-M1233 VanDerWaalsContact C-N 3.3Å; S1231-M1233 PolarHBondContact O-N 2.92Å |
| 1232 | E | 27.8 | Very low | 37.2 | Very low | 181 Ų | 181 | 101.3 Ų | 101.3 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | trans | -69 | 84.8 | 171.6 | -63.2 | 179.5 | 164.5 | 0 | 0 | 109.4 | P1234 | E1232-P1234 WeakPolarHBondContact O-CD 3.35Š| ||
| 1233 | M | 29 | Very low | 39.6 | Very low | 109 Ų | 109 | 96.8 Ų | 96.8 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | trans | -79.8 | 107.7 | 159.5 | -68 | -151.3 | 78.9 | 0 | 0 | 107.9 | V1229 S1231 P1237 | V1229-M1233 HydrophobicContact CG1-CG 4.23Å; V1229-M1233 HydrophobicContact CG1-SD 4.5Å; S1231-M1233 VanDerWaalsContact C-N 3.3Å; S1231-M1233 PolarHBondContact O-N 2.92Å; M1233-P1237 HydrophobicContact CE-CG 4.12Å | ||
| 1234 | P | 34.1 | Very low | 42.4 | Very low | 46 Ų | 46 | 96.4 Ų | 96.4 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | trans | -58.6 | 152.2 | 172.4 | 24.2 | -32.7 | 0 | 0 | 0 | 109.9 | E1232 W1236 N1624 | E1232-P1234 WeakPolarHBondContact O-CD 3.35Å; P1234-W1236 WeakPolarHBondContact CB-O 3.36Å; P1234-W1236 WeakPolarHBondContact CG-O 3.3Å; P1234-W1236 CarbonylContact O-C 3.06Å; P1234-W1236 VanDerWaalsContact O-C 3.3Å; P1234-W1236 WeakPolarHBondContact O-CA 3.23Å; P1234-W1236 PolarHBondContact O-N 3.46Å; P1234-N1624 HydrophobicContact CB-CB 3.77Å | ||
| 1235 | I | 43.2 | Very low | 45 | Very low | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.092 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -43.8 | -38.2 | -176.2 | -77.6 | -169.8 | 0 | 0 | 0 | 112.4 | F1410 Y1414 P1622 A1767 | I1235-F1410 HydrophobicContact CD1-CD1 4.13Å; I1235-F1410 HydrophobicContact CD1-CE1 4.13Å; I1235-Y1414 HydrophobicContact CD1-CD1 4.05Å; I1235-Y1414 HydrophobicContact CD1-CD2 3.99Å; I1235-Y1414 HydrophobicContact CD1-CE1 4.39Å; I1235-Y1414 HydrophobicContact CD1-CE2 4.33Å; I1235-Y1414 HydrophobicContact CD1-CG 3.84Å; I1235-Y1414 HydrophobicContact CG1-CD1 3.84Å; I1235-Y1414 HydrophobicContact CG1-CD2 4.18Å; I1235-Y1414 HydrophobicContact CG1-CE1 3.7Å; I1235-Y1414 HydrophobicContact CG1-CE2 4.05Å; I1235-Y1414 HydrophobicContact CG1-CG 4.07Å; I1235-P1622 HydrophobicContact CD1-CG 3.38Å; I1235-P1622 HydrophobicContact CG1-CG 4.46Å; I1235-A1767 HydrophobicContact CB-CB 4.39Å; I1235-A1767 HydrophobicContact CG2-CB 3.41Å; I1235-A1767 VanDerWaalsContact CG2-CB 3.41Å; I1235-A1767 WeakPolarHBondContact O-CB 3.46Å |
| 1236 | W | 47.3 | Very low | 47.6 | Very low | 21 Ų | 21 | 86.7 Ų | 86.7 | 8% | 0.08 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -123.7 | 137.2 | 158.5 | -60.7 | -56.6 | 0 | 0 | 0 | 110 | P1234 E1238 R1240 P1241 L1621 A1767 R1782 | P1234-W1236 WeakPolarHBondContact CB-O 3.36Å; P1234-W1236 WeakPolarHBondContact CG-O 3.3Å; P1234-W1236 CarbonylContact O-C 3.06Å; P1234-W1236 VanDerWaalsContact O-C 3.3Å; P1234-W1236 WeakPolarHBondContact O-CA 3.23Å; P1234-W1236 PolarHBondContact O-N 3.46Å; W1236-E1238 VanDerWaalsContact C-N 3.3Å; W1236-E1238 CarbonylContact C-O 3.52Å; W1236-E1238 WeakPolarHBondContact CB-O 3.49Å; W1236-E1238 CarbonylContact O-C 3.58Å; W1236-E1238 PolarHBondContact O-N 3.48Å; W1236-R1240 WeakPolarHBondContact CB-O 3.29Å; W1236-P1241 HydrophobicContact CD2-CB 4.33Å; W1236-P1241 HydrophobicContact CE3-CB 4.21Å; W1236-P1241 HydrophobicContact CE3-CG 4.08Å; W1236-P1241 VanDerWaalsContact CE3-N 3.26Å; W1236-P1241 HydrophobicContact CH2-CB 3.6Å; W1236-P1241 HydrophobicContact CH2-CG 3.43Å; W1236-P1241 VanDerWaalsContact CH2-CG 3.43Å; W1236-P1241 HydrophobicContact CZ2-CB 3.72Å; W1236-P1241 HydrophobicContact CZ2-CG 4.1Å; W1236-P1241 HydrophobicContact CZ3-CB 3.84Å; W1236-P1241 VanDerWaalsContact CZ3-CD 3.4Å; W1236-P1241 HydrophobicContact CZ3-CG 3.41Å; W1236-P1241 VanDerWaalsContact CZ3-CG 3.41Å; W1236-L1621 HydrophobicContact CH2-CD1 4.32Å; W1236-L1621 HydrophobicContact CH2-CD2 3.66Å; W1236-L1621 HydrophobicContact CZ3-CD1 3.66Å; W1236-L1621 HydrophobicContact CZ3-CD2 3.62Å; W1236-L1621 HydrophobicContact CZ3-CG 4.27Å; W1236-A1767 PolarHBondContact NE1-O 3.44Å; W1236-R1782 PolarHBondContact NE1-OXT 3.33Å |
| 1237 | P | 35.7 | Very low | 50.4 | Low | 101 Ų | 101 | 80.5 Ų | 80.5 | 66% | 0.656 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -62.4 | -31.3 | -179.2 | -26.4 | 35.8 | 0 | 0 | 0 | 114.8 | M1233 | M1233-P1237 HydrophobicContact CE-CG 4.12Š|
| 1238 | E | 46 | Very low | 53.2 | Low | 78 Ų | 78 | 80.5 Ų | 80.5 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -93.4 | 143 | 156.5 | -65.8 | 156.4 | -114.7 | 0 | 0 | 106.5 | W1236 R1240 R1242 | W1236-E1238 VanDerWaalsContact C-N 3.3Å; W1236-E1238 CarbonylContact C-O 3.52Å; W1236-E1238 WeakPolarHBondContact CB-O 3.49Å; W1236-E1238 CarbonylContact O-C 3.58Å; W1236-E1238 PolarHBondContact O-N 3.48Å; E1238-R1240 PolarHBondContact O-N 3.23Å; E1238-R1240 IonicContact OE2-CZ 3.8Å; E1238-R1240 IonicContact OE2-NE 3.33Å; E1238-R1240 IonicContact OE2-NH2 3.21Å; E1238-R1240 PolarHBondContact OE2-NH2 3.39Å; E1238-R1242 IonicContact OE1-CZ 2.87Å; E1238-R1242 IonicContact OE1-NE 3.22Å; E1238-R1242 PolarHBondContact OE1-NE 2.88Å; E1238-R1242 IonicContact OE1-NH2 2.72Å; E1238-R1242 PolarHBondContact OE1-NH2 3.23Å |
| 1239 | S | 54.7 | Low | 56.1 | Low | 86 Ų | 86 | 71.6 Ų | 71.6 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -66.4 | 14.5 | -169.2 | 48.2 | 0 | 0 | 0 | 0 | 117.2 | Y1656 | S1239-Y1656 PolarHBondContact O-OH 3.34Å; S1239-Y1656 VanDerWaalsContact O-OH 3.05Å |
| 1240 | R | 66.7 | Low | 58.8 | Low | 103 Ų | 103 | 73.9 Ų | 73.9 | 39% | 0.389 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -138.7 | 155.6 | -172.3 | 65.5 | -178.2 | 177.3 | -174.2 | -3.1 | 111.9 | W1236 E1238 Y1656 | W1236-R1240 WeakPolarHBondContact CB-O 3.29Å; E1238-R1240 PolarHBondContact O-N 3.23Å; E1238-R1240 IonicContact OE2-CZ 3.8Å; E1238-R1240 IonicContact OE2-NE 3.33Å; E1238-R1240 IonicContact OE2-NH2 3.21Å; E1238-R1240 PolarHBondContact OE2-NH2 3.39Å; R1240-Y1656 HydrophobicContact CB-CD1 4.29Å; R1240-Y1656 HydrophobicContact CB-CE1 3.82Å; R1240-Y1656 HydrophobicContact CB-CE2 4.46Å |
| 1241 | P | 71 | Confident | 61.8 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | trans | -66.9 | 154.6 | 168.6 | 4.8 | 5.9 | 0 | 0 | 0 | 110.6 | W1236 V1646 Y1656 L1668 | W1236-P1241 HydrophobicContact CD2-CB 4.33Å; W1236-P1241 HydrophobicContact CE3-CB 4.21Å; W1236-P1241 HydrophobicContact CE3-CG 4.08Å; W1236-P1241 VanDerWaalsContact CE3-N 3.26Å; W1236-P1241 HydrophobicContact CH2-CB 3.6Å; W1236-P1241 HydrophobicContact CH2-CG 3.43Å; W1236-P1241 VanDerWaalsContact CH2-CG 3.43Å; W1236-P1241 HydrophobicContact CZ2-CB 3.72Å; W1236-P1241 HydrophobicContact CZ2-CG 4.1Å; W1236-P1241 HydrophobicContact CZ3-CB 3.84Å; W1236-P1241 VanDerWaalsContact CZ3-CD 3.4Å; W1236-P1241 HydrophobicContact CZ3-CG 3.41Å; W1236-P1241 VanDerWaalsContact CZ3-CG 3.41Å; P1241-V1646 HydrophobicContact CG-CG2 4.21Å; P1241-Y1656 HydrophobicContact CG-CD2 4.27Å; P1241-L1668 HydrophobicContact CB-CD1 4.27Å; P1241-L1668 HydrophobicContact CB-CD2 3.91Å; P1241-L1668 HydrophobicContact CG-CD1 3.67Å; P1241-L1668 HydrophobicContact CG-CD2 3.54Å; P1241-L1668 HydrophobicContact CG-CG 4.22Å | ||
| 1242 | R | 75.6 | Confident | 64.7 | Low | 125 Ų | 125 | 65 Ų | 65 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | trans | -91.9 | -12.1 | 177.7 | -71.5 | -174.4 | 168.3 | -170.9 | 0.2 | 114.1 | E1238 V1244 R1782 | E1238-R1242 IonicContact OE1-CZ 2.87Å; E1238-R1242 IonicContact OE1-NE 3.22Å; E1238-R1242 PolarHBondContact OE1-NE 2.88Å; E1238-R1242 IonicContact OE1-NH2 2.72Å; E1238-R1242 PolarHBondContact OE1-NH2 3.23Å; R1242-V1244 HydrophobicContact CB-CG2 4.14Å; R1242-V1244 PolarHBondContact O-N 3.35Å; R1242-R1782 CarbonylContact C-O 3.47Å; R1242-R1782 WeakPolarHBondContact CA-O 3.23Å; R1242-R1782 PolarHBondContact N-O 3.11Å; R1242-R1782 PolarHBondContact N-OXT 2.77Å | ||
| 1243 | G | 75.9 | Confident | 67.4 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | trans | 70.6 | 9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1245 R1782 | G1243-M1245 PolarHBondContact O-N 2.88Å; G1243-R1782 PolarHBondContact N-O 3.48Å | ||
| 1244 | V | 81.5 | Confident | 70.1 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | trans | -82.2 | 114.3 | -173.9 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | R1242 L1246 W1781 R1782 | R1242-V1244 HydrophobicContact CB-CG2 4.14Å; R1242-V1244 PolarHBondContact O-N 3.35Å; V1244-L1246 HydrophobicContact CG1-CD2 4.27Å; V1244-L1246 PolarHBondContact O-N 2.81Å; V1244-W1781 CarbonylContact O-C 3.52Å; V1244-W1781 VanDerWaalsContact O-CA 3.26Å; V1244-W1781 WeakPolarHBondContact O-CA 3.48Å; V1244-R1782 HydrophobicContact CB-CB 4.14Å; V1244-R1782 PolarHBondContact N-O 2.77Å; V1244-R1782 PolarHBondContact O-N 3.37Å | ||
| 1245 | M | 80.9 | Confident | 72.5 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 126.3 | 174.2 | -171.1 | -176.7 | 69.4 | 0 | 0 | 110.5 | G1243 N1248 K1750 K1779 W1781 | G1243-M1245 PolarHBondContact O-N 2.88Å; M1245-N1248 HydrophobicContact SD-CB 4.1Å; M1245-K1750 VanDerWaalsContact SD-O 3.4Å; M1245-K1779 HydrophobicContact SD-CD 4.11Å; M1245-K1779 HydrophobicContact SD-CG 4.32Å; M1245-K1779 PolarHBondContact SD-NZ 3.27Å; M1245-W1781 HydrophobicContact CB-CE3 3.73Å; M1245-W1781 HydrophobicContact CB-CZ3 3.68Å; M1245-W1781 HydrophobicContact CG-CE3 4.29Å; M1245-W1781 HydrophobicContact CG-CZ3 4.16Å |
| 1246 | L | 78.8 | Confident | 74.6 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -33.6 | 178.5 | -56.3 | -179.5 | 0 | 0 | 0 | 112.9 | V1244 L1331 F1768 I1780 R1782 | V1244-L1246 HydrophobicContact CG1-CD2 4.27Å; V1244-L1246 PolarHBondContact O-N 2.81Å; L1246-L1331 HydrophobicContact CB-CD1 3.36Å; L1246-L1331 HydrophobicContact CD1-CD1 4.07Å; L1246-L1331 HydrophobicContact CG-CD1 4.38Å; L1246-F1768 HydrophobicContact CD1-CD1 3.46Å; L1246-F1768 VanDerWaalsContact CD1-CD1 3.46Å; L1246-F1768 HydrophobicContact CD1-CE1 3.4Å; L1246-F1768 VanDerWaalsContact CD1-CE1 3.4Å; L1246-F1768 HydrophobicContact CD1-CG 4.31Å; L1246-F1768 HydrophobicContact CD1-CZ 4.21Å; L1246-I1780 PolarHBondContact N-O 3.12Å; L1246-R1782 HydrophobicContact CD1-CB 3.95Å; L1246-R1782 HydrophobicContact CD1-CG 4.4Å; L1246-R1782 HydrophobicContact CD2-CB 4.19Å; L1246-R1782 HydrophobicContact CG-CB 4.15Å |
| 1247 | A | 80.8 | Confident | 76.7 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1249 L1331 K1779 I1780 | A1247-L1249 HydrophobicContact CB-CD2 4.45Å; A1247-L1331 HydrophobicContact CB-CB 4.3Å; A1247-L1331 HydrophobicContact CB-CD1 4.05Å; A1247-K1779 WeakPolarHBondContact O-CA 3.31Å; A1247-I1780 HydrophobicContact CB-CB 4.14Å; A1247-I1780 HydrophobicContact CB-CD1 4.24Å; A1247-I1780 HydrophobicContact CB-CG1 4.27Å; A1247-I1780 PolarHBondContact N-O 3.43Å; A1247-I1780 PolarHBondContact O-N 2.87Å |
| 1248 | N | 85.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 109.5 | 180 | -178.4 | 91.5 | 0 | 0 | 0 | 109 | M1245 V1777 K1779 | M1245-N1248 HydrophobicContact SD-CB 4.1Å; N1248-V1777 WeakPolarHBondContact OD1-CG1 3.36Å; N1248-K1779 VanDerWaalsContact OD1-CE 3.29Å; N1248-K1779 WeakPolarHBondContact OD1-CE 3.49Å; N1248-K1779 PolarHBondContact OD1-NZ 3.47Å |
| 1249 | L | 86.1 | Confident | 81.6 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.9 | -168.8 | -48.4 | 173.7 | 0 | 0 | 0 | 109.1 | A1247 F1268 W1281 P1332 V1777 I1778 I1780 | A1247-L1249 HydrophobicContact CB-CD2 4.45Å; L1249-F1268 HydrophobicContact CD1-CZ 3.97Å; L1249-W1281 HydrophobicContact CB-CH2 3.94Å; L1249-W1281 HydrophobicContact CB-CZ3 3.9Å; L1249-W1281 HydrophobicContact CD1-CD2 4.23Å; L1249-W1281 HydrophobicContact CD1-CE3 3.78Å; L1249-W1281 HydrophobicContact CD1-CH2 4.4Å; L1249-W1281 HydrophobicContact CD1-CZ3 3.88Å; L1249-W1281 HydrophobicContact CD2-CE3 4.49Å; L1249-W1281 HydrophobicContact CD2-CZ3 4.13Å; L1249-W1281 HydrophobicContact CG-CZ3 4.19Å; L1249-P1332 WeakPolarHBondContact CD2-O 3.49Å; L1249-V1777 CarbonylContact O-C 3.05Å; L1249-V1777 WeakPolarHBondContact O-CA 3.48Å; L1249-I1778 WeakPolarHBondContact CA-O 3.41Å; L1249-I1778 HydrophobicContact CB-CB 4.23Å; L1249-I1778 WeakPolarHBondContact CB-O 3Å; L1249-I1778 HydrophobicContact CD1-CB 4.4Å; L1249-I1778 HydrophobicContact CD1-CG2 4.4Å; L1249-I1778 PolarHBondContact N-O 3.36Å; L1249-I1778 PolarHBondContact O-N 2.79Å; L1249-I1780 HydrophobicContact CD1-CD1 4.24Å; L1249-I1780 HydrophobicContact CD1-CG1 4.44Å |
| 1250 | Q | 84.7 | Confident | 83.2 | Confident | 137 Ų | 137 | 50.1 Ų | 50.1 | 64% | 0.64 | 26% | 0.255 | S | S | * | . | trans | -134.1 | 70 | -174.7 | -169 | 174.5 | -1.7 | 0 | 0 | 111 | V1777 | Q1250-V1777 HydrophobicContact CB-CG2 4.4Å; Q1250-V1777 HydrophobicContact CG-CG2 3.96Å | ||
| 1251 | E | 85.6 | Confident | 84.1 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | trans | -112.4 | -18.5 | 175.9 | -66.9 | -170.9 | -165.5 | 0 | 0 | 114.7 | K1279 W1281 R1334 S1335 | E1251-K1279 HydrophobicContact CB-CD 3.87Å; E1251-K1279 WeakPolarHBondContact O-CE 3.41Å; E1251-K1279 WeakPolarHBondContact OE2-CE 3.37Å; E1251-K1279 IonicContact OE2-NZ 3.65Å; E1251-K1279 PolarHBondContact OE2-NZ 3.24Å; E1251-W1281 HydrophobicContact CB-CH2 4.02Å; E1251-W1281 HydrophobicContact CG-CH2 3.94Å; E1251-R1334 WeakPolarHBondContact OE1-CA 3.42Å; E1251-R1334 WeakPolarHBondContact OE1-CB 3.06Å; E1251-S1335 PolarHBondContact OE1-N 3.26Å; E1251-S1335 VanDerWaalsContact OE2-CB 3.31Å; E1251-S1335 WeakPolarHBondContact OE2-CB 3.5Å; E1251-S1335 PolarHBondContact OE2-OG 3.44Å | ||
| 1252 | H | 87.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82.6 | 148.9 | 176.1 | -86.8 | -57.2 | 0 | 0 | 0 | 110.3 | I1257 S1270 S1272 D1275 L1277 G1776 | H1252-I1257 HydrophobicContact CB-CD1 4.1Å; H1252-S1270 PolarHBondContact CD2-OG 2.96Å; H1252-S1270 VanDerWaalsContact CD2-OG 3.26Å; H1252-S1270 PolarHBondContact NE2-OG 2.85Å; H1252-S1272 VanDerWaalsContact ND1-CB 3.29Å; H1252-S1272 WeakPolarHBondContact ND1-CB 3.33Å; H1252-D1275 VanDerWaalsContact CA-OD2 3.24Å; H1252-D1275 WeakPolarHBondContact CA-OD2 3.29Å; H1252-D1275 IonicContact CE1-OD1 2.79Å; H1252-D1275 IonicContact CE1-OD2 2.7Å; H1252-D1275 IonicContact CG-OD2 3.38Å; H1252-D1275 IonicContact ND1-OD1 3.82Å; H1252-D1275 PolarHBondContact ND1-OD1 2.83Å; H1252-D1275 IonicContact ND1-OD2 2.67Å; H1252-D1275 PolarHBondContact ND1-OD2 3.44Å; H1252-L1277 PolarHBondContact CE1-O 3.24Å; H1252-G1776 WeakPolarHBondContact O-CA 3.45Å |
| 1253 | R | 85.7 | Confident | 84.1 | Confident | 135 Ų | 135 | 43.2 Ų | 43.2 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -74.6 | 150.3 | 165 | -69.2 | -176.7 | 173.7 | 164 | -0 | 110.2 | G1255 S1272 D1275 | R1253-G1255 PolarHBondContact O-N 3.42Å; R1253-S1272 PolarHBondContact O-OG 2.92Å; R1253-D1275 HydrophobicContact CB-CB 4.07Å; R1253-D1275 HydrophobicContact CG-CB 4.16Å; R1253-D1275 PolarHBondContact N-OD2 3.24Å |
| 1254 | A | 84.3 | Confident | 83.7 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -50.4 | 130.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1274 M1774 | A1254-G1274 WeakPolarHBondContact O-CA 3.49Å; A1254-M1774 CarbonylContact C-O 3.59Å; A1254-M1774 VanDerWaalsContact CA-O 3.29Å; A1254-M1774 WeakPolarHBondContact CA-O 3.21Å; A1254-M1774 WeakPolarHBondContact CB-O 3.38Å |
| 1255 | G | 85.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 160 | 169.8 | -164 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1253 I1257 M1774 | R1253-G1255 PolarHBondContact O-N 3.42Å; G1255-I1257 PolarHBondContact O-N 2.9Å; G1255-I1257 VanDerWaalsContact O-N 3.15Å; G1255-M1774 PolarHBondContact N-O 3.04Å; G1255-M1774 WeakPolarHBondContact O-CA 3.37Å |
| 1256 | M | 87.6 | Confident | 82.9 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | trans | -73.5 | 108.8 | 176.6 | -172.4 | 173.1 | 84.7 | 0 | 0 | 109 | S1273 R1355 M1774 | M1256-S1273 PolarHBondContact N-OG 2.91Å; M1256-S1273 PolarHBondContact O-N 3.02Å; M1256-R1355 HydrophobicContact CE-CG 3.96Å; M1256-M1774 HydrophobicContact CB-CE 4.13Å; M1256-M1774 HydrophobicContact CG-CE 3.87Å; M1256-M1774 HydrophobicContact SD-CE 4.38Å | ||
| 1257 | I | 91.4 | Very high | 82.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135 | 172.8 | -54.3 | 179.2 | 0 | 0 | 0 | 108.7 | H1252 G1255 L1259 C1271 S1757 A1772 S1773 I1778 | H1252-I1257 HydrophobicContact CB-CD1 4.1Å; G1255-I1257 PolarHBondContact O-N 2.9Å; G1255-I1257 VanDerWaalsContact O-N 3.15Å; I1257-L1259 HydrophobicContact CG2-CD2 4.18Å; I1257-C1271 CarbonylContact C-O 3.53Å; I1257-C1271 VanDerWaalsContact CA-O 3.24Å; I1257-C1271 WeakPolarHBondContact CA-O 3.43Å; I1257-S1757 PolarHBondContact N-OG 3.2Å; I1257-S1757 WeakPolarHBondContact O-CB 3.45Å; I1257-S1757 PolarHBondContact O-OG 3.01Å; I1257-A1772 HydrophobicContact CB-CB 3.79Å; I1257-A1772 HydrophobicContact CD1-CB 4.22Å; I1257-A1772 HydrophobicContact CG2-CB 3.66Å; I1257-S1773 WeakPolarHBondContact CD1-O 3.32Å; I1257-I1778 HydrophobicContact CD1-CD1 4.49Å; I1257-I1778 HydrophobicContact CD1-CG1 3.99Å; I1257-I1778 HydrophobicContact CG2-CD1 4.28Å |
| 1258 | S | 92 | Very high | 83.3 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.8 | 161.8 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | S1270 C1271 D1758 | S1258-S1270 CarbonylContact O-C 3.2Å; S1258-S1270 VanDerWaalsContact O-CA 3.24Å; S1258-S1270 WeakPolarHBondContact O-CA 3.33Å; S1258-C1271 PolarHBondContact N-O 3.33Å; S1258-C1271 PolarHBondContact O-N 3.41Å; S1258-D1758 WeakPolarHBondContact CA-OD2 3.36Å; S1258-D1758 WeakPolarHBondContact CB-OD2 3.31Å; S1258-D1758 PolarHBondContact OG-OD2 2.81Å |
| 1259 | L | 92.4 | Very high | 83.5 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146 | -178.9 | -63.9 | -179.2 | 0 | 0 | 0 | 110.4 | I1257 F1268 A1269 D1758 T1760 V1770 A1772 I1778 | I1257-L1259 HydrophobicContact CG2-CD2 4.18Å; L1259-F1268 HydrophobicContact CD2-CD2 4.12Å; L1259-F1268 HydrophobicContact CD2-CE2 4.04Å; L1259-A1269 WeakPolarHBondContact CA-O 3.49Å; L1259-D1758 HydrophobicContact CB-CB 4.29Å; L1259-D1758 HydrophobicContact CD1-CB 4.46Å; L1259-D1758 HydrophobicContact CG-CB 4.09Å; L1259-D1758 PolarHBondContact N-OD2 3.17Å; L1259-T1760 HydrophobicContact CB-CG2 4.07Å; L1259-T1760 HydrophobicContact CD1-CG2 3.97Å; L1259-V1770 HydrophobicContact CD1-CB 4.38Å; L1259-V1770 HydrophobicContact CD1-CG1 3.84Å; L1259-A1772 HydrophobicContact CD1-CB 3.89Å; L1259-A1772 HydrophobicContact CD2-CB 4.04Å; L1259-A1772 HydrophobicContact CG-CB 3.89Å; L1259-I1778 HydrophobicContact CD2-CD1 3.96Å; L1259-I1778 HydrophobicContact CD2-CG1 4.5Å; L1259-I1778 HydrophobicContact CD2-CG2 4.35Å |
| 1260 | A | 88.8 | Confident | 83.8 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 114 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1268 A1269 L1357 W1359 L1366 | A1260-F1268 CarbonylContact O-C 3.48Å; A1260-F1268 WeakPolarHBondContact O-CA 3.43Å; A1260-A1269 PolarHBondContact N-O 2.84Å; A1260-A1269 PolarHBondContact O-N 3.22Å; A1260-L1357 HydrophobicContact CB-CB 4.01Å; A1260-L1357 HydrophobicContact CB-CD2 3.99Å; A1260-L1357 HydrophobicContact CB-CG 3.77Å; A1260-L1357 WeakPolarHBondContact CB-O 3.39Å; A1260-W1359 PolarHBondContact O-NE1 2.92Å; A1260-L1366 HydrophobicContact CB-CD1 4.39Å |
| 1261 | T | 85.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 30.1 Ų | 30.1 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.2 | 174.4 | -67.2 | 0 | 0 | 0 | 0 | 111 | W1359 T1760 V1761 L1762 | T1261-W1359 VanDerWaalsContact C-CD1 3.43Å; T1261-T1760 WeakPolarHBondContact CB-OG1 3.41Å; T1261-T1760 WeakPolarHBondContact OG1-CG2 3.39Å; T1261-T1760 PolarHBondContact OG1-OG1 3.49Å; T1261-V1761 WeakPolarHBondContact CG2-O 3.45Å; T1261-L1762 HydrophobicContact CG2-CD2 4.37Å |
| 1262 | H | 79.3 | Confident | 84.3 | Confident | 31 Ų | 31 | 27 Ų | 27 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | trans | -77 | 147 | 173 | 175.6 | -96.5 | 0 | 0 | 0 | 110 | S1264 G1265 L1267 W1359 G1363 | H1262-S1264 WeakPolarHBondContact ND1-CB 3.43Å; H1262-S1264 PolarHBondContact ND1-N 3.43Å; H1262-S1264 PolarHBondContact ND1-OG 2.95Å; H1262-S1264 PolarHBondContact O-N 3.32Å; H1262-G1265 PolarHBondContact O-N 3.05Å; H1262-L1267 HydrophobicContact CB-CB 3.89Å; H1262-L1267 WeakPolarHBondContact CB-O 3.42Å; H1262-L1267 PolarHBondContact N-O 3.14Å; H1262-W1359 HydrophobicContact CB-CD2 4.05Å; H1262-W1359 HydrophobicContact CB-CE3 4.48Å; H1262-W1359 HydrophobicContact CB-CH2 4.2Å; H1262-W1359 HydrophobicContact CB-CZ2 3.78Å; H1262-W1359 AromaticContact CD2-CE3 3.69Å; H1262-W1359 AromaticContact CD2-CZ3 3.73Å; H1262-G1363 WeakPolarHBondContact NE2-CA 3.27Å; H1262-G1363 PolarHBondContact NE2-O 2.67Å | ||
| 1263 | S | 67.6 | Low | 84.4 | Confident | 49 Ų | 49 | 27.9 Ų | 27.9 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -8.4 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1264 | S | 66.6 | Low | 84.3 | Confident | 45 Ų | 45 | 22.5 Ų | 22.5 | 32% | 0.315 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.2 | 169.8 | 69.8 | 0 | 0 | 0 | 0 | 115 | H1262 R1266 | H1262-S1264 WeakPolarHBondContact ND1-CB 3.43Å; H1262-S1264 PolarHBondContact ND1-N 3.43Å; H1262-S1264 PolarHBondContact ND1-OG 2.95Å; H1262-S1264 PolarHBondContact O-N 3.32Å; S1264-R1266 PolarHBondContact O-N 3.05Å; S1264-R1266 VanDerWaalsContact O-N 3.08Å |
| 1265 | G | 71.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 70 | -8.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | H1262 L1762 Q1763 | H1262-G1265 PolarHBondContact O-N 3.05Å; G1265-L1762 CarbonylContact O-C 3.59Å; G1265-L1762 VanDerWaalsContact O-CA 3.3Å; G1265-L1762 WeakPolarHBondContact O-CA 3.35Å; G1265-L1762 VanDerWaalsContact O-CD2 3.22Å; G1265-L1762 WeakPolarHBondContact O-CD2 3.25Å; G1265-Q1763 PolarHBondContact O-N 2.69Å |
| 1266 | R | 73.2 | Confident | 84.3 | Confident | 43 Ų | 43 | 19.6 Ų | 19.6 | 16% | 0.162 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -105 | -8.8 | -173.6 | -61 | 175.6 | -163.9 | -143.3 | -4.1 | 114.7 | M1226 S1264 C1283 Q1763 | M1226-R1266 VanDerWaalsContact C-NH2 3.28Å; M1226-R1266 PolarHBondContact O-NH2 2.57Å; S1264-R1266 PolarHBondContact O-N 3.05Å; S1264-R1266 VanDerWaalsContact O-N 3.08Å; R1266-C1283 PolarHBondContact O-N 3.34Å; R1266-Q1763 WeakPolarHBondContact CG-O 3.35Å |
| 1267 | L | 80.5 | Confident | 84.2 | Confident | 50 Ų | 50 | 18 Ų | 18 | 26% | 0.262 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.6 | -179.5 | -61.6 | 167.2 | 0 | 0 | 0 | 107 | H1262 W1281 N1282 | H1262-L1267 HydrophobicContact CB-CB 3.89Å; H1262-L1267 WeakPolarHBondContact CB-O 3.42Å; H1262-L1267 PolarHBondContact N-O 3.14Å; L1267-W1281 WeakPolarHBondContact CA-O 3.49Å; L1267-N1282 HydrophobicContact CD2-CB 3.76Å |
| 1268 | F | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.9 | 165.6 | 74.5 | -79.8 | 0 | 0 | 0 | 110.6 | L1249 L1259 A1260 W1281 L1762 V1770 I1778 I1780 | L1249-F1268 HydrophobicContact CD1-CZ 3.97Å; L1259-F1268 HydrophobicContact CD2-CD2 4.12Å; L1259-F1268 HydrophobicContact CD2-CE2 4.04Å; A1260-F1268 CarbonylContact O-C 3.48Å; A1260-F1268 WeakPolarHBondContact O-CA 3.43Å; F1268-W1281 HydrophobicContact CD1-CB 3.65Å; F1268-W1281 HydrophobicContact CD1-CG 4.32Å; F1268-W1281 HydrophobicContact CD2-CB 4.38Å; F1268-W1281 AromaticContact CD2-CD1 3.68Å; F1268-W1281 HydrophobicContact CD2-CG 4.25Å; F1268-W1281 HydrophobicContact CE1-CB 3.33Å; F1268-W1281 AromaticContact CE1-CG 3.83Å; F1268-W1281 HydrophobicContact CE1-CG 3.83Å; F1268-W1281 HydrophobicContact CE2-CB 4.1Å; F1268-W1281 AromaticContact CE2-CD1 3.33Å; F1268-W1281 HydrophobicContact CE2-CD2 4.41Å; F1268-W1281 AromaticContact CE2-CG 3.72Å; F1268-W1281 HydrophobicContact CE2-CG 3.72Å; F1268-W1281 AromaticContact CE2-NE1 3.83Å; F1268-W1281 HydrophobicContact CG-CB 4.19Å; F1268-W1281 HydrophobicContact CZ-CB 3.58Å; F1268-W1281 AromaticContact CZ-CD1 3.64Å; F1268-W1281 HydrophobicContact CZ-CD2 4.08Å; F1268-W1281 AromaticContact CZ-CG 3.49Å; F1268-W1281 HydrophobicContact CZ-CG 3.49Å; F1268-W1281 VanDerWaalsContact CZ-CG 3.49Å; F1268-W1281 PolarHBondContact N-O 3.32Å; F1268-W1281 VanDerWaalsContact N-O 3.1Å; F1268-W1281 PolarHBondContact O-N 3.39Å; F1268-L1762 HydrophobicContact CB-CD2 4.08Å; F1268-L1762 HydrophobicContact CD1-CD1 3.79Å; F1268-L1762 HydrophobicContact CD1-CD2 3.8Å; F1268-L1762 HydrophobicContact CD1-CG 4.25Å; F1268-L1762 HydrophobicContact CE1-CD1 3.92Å; F1268-L1762 HydrophobicContact CG-CD2 4.32Å; F1268-V1770 HydrophobicContact CE2-CG1 4.25Å; F1268-V1770 HydrophobicContact CZ-CG1 4.26Å; F1268-I1778 HydrophobicContact CE2-CD1 4.45Å; F1268-I1778 HydrophobicContact CE2-CG2 4.2Å; F1268-I1778 HydrophobicContact CZ-CG2 4.33Å; F1268-I1780 HydrophobicContact CE1-CD1 4.34Å |
| 1269 | A | 90.3 | Very high | 84 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1259 A1260 K1279 L1280 L1357 W1359 L1366 | L1259-A1269 WeakPolarHBondContact CA-O 3.49Å; A1260-A1269 PolarHBondContact N-O 2.84Å; A1260-A1269 PolarHBondContact O-N 3.22Å; A1269-K1279 CarbonylContact C-O 3.36Å; A1269-K1279 WeakPolarHBondContact CA-O 3.37Å; A1269-L1280 HydrophobicContact CB-CD2 3.63Å; A1269-L1280 HydrophobicContact CB-CG 4.47Å; A1269-L1357 HydrophobicContact CB-CD2 3.57Å; A1269-L1357 HydrophobicContact CB-CG 4.41Å; A1269-W1359 HydrophobicContact CB-CZ2 4.17Å; A1269-L1366 HydrophobicContact CB-CD1 3.77Å; A1269-L1366 HydrophobicContact CB-CD2 3.56Å; A1269-L1366 HydrophobicContact CB-CG 4.33Å |
| 1270 | S | 92.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.6 | 166.7 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | H1252 S1258 V1278 K1279 W1281 | H1252-S1270 PolarHBondContact CD2-OG 2.96Å; H1252-S1270 VanDerWaalsContact CD2-OG 3.26Å; H1252-S1270 PolarHBondContact NE2-OG 2.85Å; S1258-S1270 CarbonylContact O-C 3.2Å; S1258-S1270 VanDerWaalsContact O-CA 3.24Å; S1258-S1270 WeakPolarHBondContact O-CA 3.33Å; S1270-V1278 CarbonylContact O-C 3.51Å; S1270-V1278 WeakPolarHBondContact O-CA 3.18Å; S1270-K1279 PolarHBondContact N-O 3.38Å; S1270-K1279 PolarHBondContact O-N 2.76Å; S1270-W1281 PolarHBondContact OG-NE1 3.29Å |
| 1271 | C | 91 | Very high | 83.8 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.5 | 167 | 73.9 | 0 | 0 | 0 | 0 | 109.8 | I1257 S1258 L1277 V1278 C1354 L1357 | I1257-C1271 CarbonylContact C-O 3.53Å; I1257-C1271 VanDerWaalsContact CA-O 3.24Å; I1257-C1271 WeakPolarHBondContact CA-O 3.43Å; S1258-C1271 PolarHBondContact N-O 3.33Å; S1258-C1271 PolarHBondContact O-N 3.41Å; C1271-L1277 VanDerWaalsContact CA-O 3.32Å; C1271-L1277 WeakPolarHBondContact CA-O 3.36Å; C1271-V1278 HydrophobicContact CB-CB 4.48Å; C1271-V1278 HydrophobicContact CB-CG2 3.87Å; C1271-C1354 HydrophobicContact CB-CB 4.07Å; C1271-L1357 HydrophobicContact CB-CD1 4.27Å; C1271-L1357 HydrophobicContact CB-CD2 4.16Å |
| 1272 | S | 89.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.6 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | H1252 R1253 G1274 G1276 L1277 | H1252-S1272 VanDerWaalsContact ND1-CB 3.29Å; H1252-S1272 WeakPolarHBondContact ND1-CB 3.33Å; R1253-S1272 PolarHBondContact O-OG 2.92Å; S1272-G1274 PolarHBondContact O-N 3.38Å; S1272-G1274 PolarHBondContact OG-N 3.33Å; S1272-G1276 PolarHBondContact O-N 2.96Å; S1272-L1277 PolarHBondContact N-O 3.23Å |
| 1273 | S | 88.8 | Confident | 83 | Confident | 28 Ų | 28 | 17 Ų | 17 | 20% | 0.196 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.4 | 169.1 | 87.4 | 0 | 0 | 0 | 0 | 113.5 | M1256 C1354 | M1256-S1273 PolarHBondContact N-OG 2.91Å; M1256-S1273 PolarHBondContact O-N 3.02Å; S1273-C1354 WeakPolarHBondContact CA-O 3.44Å |
| 1274 | G | 83.9 | Confident | 82.4 | Confident | 23 Ų | 23 | 15.6 Ų | 15.6 | 24% | 0.237 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -13.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1254 S1272 | A1254-G1274 WeakPolarHBondContact O-CA 3.49Å; S1272-G1274 PolarHBondContact O-N 3.38Å; S1272-G1274 PolarHBondContact OG-N 3.33Å |
| 1275 | D | 85.9 | Confident | 81.4 | Confident | 17 Ų | 17 | 19.2 Ų | 19.2 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -14.2 | 176.3 | 53.6 | 40.7 | 0 | 0 | 0 | 114.6 | H1252 R1253 L1277 I1351 | H1252-D1275 VanDerWaalsContact CA-OD2 3.24Å; H1252-D1275 WeakPolarHBondContact CA-OD2 3.29Å; H1252-D1275 IonicContact CE1-OD1 2.79Å; H1252-D1275 IonicContact CE1-OD2 2.7Å; H1252-D1275 IonicContact CG-OD2 3.38Å; H1252-D1275 IonicContact ND1-OD1 3.82Å; H1252-D1275 PolarHBondContact ND1-OD1 2.83Å; H1252-D1275 IonicContact ND1-OD2 2.67Å; H1252-D1275 PolarHBondContact ND1-OD2 3.44Å; R1253-D1275 HydrophobicContact CB-CB 4.07Å; R1253-D1275 HydrophobicContact CG-CB 4.16Å; R1253-D1275 PolarHBondContact N-OD2 3.24Å; D1275-L1277 HydrophobicContact CB-CD1 4.11Å; D1275-L1277 HydrophobicContact CB-CG 4.01Å; D1275-L1277 PolarHBondContact O-N 2.95Å; D1275-L1277 VanDerWaalsContact OD1-CB 3.31Å; D1275-L1277 WeakPolarHBondContact OD1-CB 3.47Å; D1275-L1277 PolarHBondContact OD1-N 3.14Å; D1275-I1351 WeakPolarHBondContact O-CG2 3.39Å |
| 1276 | G | 83 | Confident | 79.6 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | 72.6 | 15.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1272 C1341 K1352 C1354 | S1272-G1276 PolarHBondContact O-N 2.96Å; G1276-C1341 PolarHBondContact O-N 3.49Å; G1276-K1352 WeakPolarHBondContact CA-O 3.44Å; G1276-C1354 PolarHBondContact O-SG 2.84Å; G1276-C1354 VanDerWaalsContact O-SG 3.35Å | ||
| 1277 | L | 87.1 | Confident | 77.7 | Confident | 38 Ų | 38 | 30.3 Ų | 30.3 | 20% | 0.199 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 152.9 | -177.7 | -54 | 177.4 | 0 | 0 | 0 | 111.3 | H1252 C1271 S1272 D1275 T1338 F1339 N1340 | H1252-L1277 PolarHBondContact CE1-O 3.24Å; C1271-L1277 VanDerWaalsContact CA-O 3.32Å; C1271-L1277 WeakPolarHBondContact CA-O 3.36Å; S1272-L1277 PolarHBondContact N-O 3.23Å; D1275-L1277 HydrophobicContact CB-CD1 4.11Å; D1275-L1277 HydrophobicContact CB-CG 4.01Å; D1275-L1277 PolarHBondContact O-N 2.95Å; D1275-L1277 VanDerWaalsContact OD1-CB 3.31Å; D1275-L1277 WeakPolarHBondContact OD1-CB 3.47Å; D1275-L1277 PolarHBondContact OD1-N 3.14Å; L1277-T1338 HydrophobicContact CB-CG2 4.17Å; L1277-T1338 HydrophobicContact CD1-CG2 3.9Å; L1277-T1338 HydrophobicContact CD2-CG2 4.37Å; L1277-T1338 HydrophobicContact CG-CG2 4.37Å; L1277-F1339 WeakPolarHBondContact CA-O 3.09Å; L1277-N1340 HydrophobicContact CD2-CB 4Å |
| 1278 | V | 88.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.7 | 167.2 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | S1270 C1271 T1338 F1339 L1357 L1366 T1368 I1378 | S1270-V1278 CarbonylContact O-C 3.51Å; S1270-V1278 WeakPolarHBondContact O-CA 3.18Å; C1271-V1278 HydrophobicContact CB-CB 4.48Å; C1271-V1278 HydrophobicContact CB-CG2 3.87Å; V1278-T1338 CarbonylContact O-C 3.45Å; V1278-T1338 WeakPolarHBondContact O-CA 3.3Å; V1278-F1339 HydrophobicContact CB-CB 4.45Å; V1278-F1339 HydrophobicContact CB-CD2 4.4Å; V1278-F1339 PolarHBondContact N-O 2.89Å; V1278-F1339 WeakPolarHBondContact O-CD2 3.44Å; V1278-F1339 PolarHBondContact O-N 3.34Å; V1278-L1357 HydrophobicContact CG1-CD1 4.05Å; V1278-L1357 HydrophobicContact CG1-CD2 4.44Å; V1278-L1366 HydrophobicContact CG1-CD2 3.48Å; V1278-L1366 VanDerWaalsContact CG1-CD2 3.48Å; V1278-T1368 HydrophobicContact CG2-CG2 3.99Å; V1278-I1378 HydrophobicContact CB-CD1 3.86Å; V1278-I1378 HydrophobicContact CG1-CD1 4.02Å; V1278-I1378 HydrophobicContact CG2-CD1 3.84Å |
| 1279 | K | 90.3 | Very high | 72.4 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135 | -177.8 | -68.6 | -178.2 | 171.7 | -77.3 | 0 | 110.3 | E1251 A1269 S1270 W1281 W1337 T1338 | E1251-K1279 HydrophobicContact CB-CD 3.87Å; E1251-K1279 WeakPolarHBondContact O-CE 3.41Å; E1251-K1279 WeakPolarHBondContact OE2-CE 3.37Å; E1251-K1279 IonicContact OE2-NZ 3.65Å; E1251-K1279 PolarHBondContact OE2-NZ 3.24Å; A1269-K1279 CarbonylContact C-O 3.36Å; A1269-K1279 WeakPolarHBondContact CA-O 3.37Å; S1270-K1279 PolarHBondContact N-O 3.38Å; S1270-K1279 PolarHBondContact O-N 2.76Å; K1279-W1281 HydrophobicContact CB-CZ2 4.06Å; K1279-W1281 HydrophobicContact CD-CZ2 3.95Å; K1279-W1337 CarbonylContact C-O 3.52Å; K1279-W1337 WeakPolarHBondContact CA-O 3.24Å; K1279-T1338 HydrophobicContact CG-CG2 4.2Å; K1279-T1338 PolarHBondContact NZ-OG1 3.18Å |
| 1280 | L | 88.5 | Confident | 69.6 | Low | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.5 | 172 | -83.5 | 173.6 | 0 | 0 | 0 | 110.6 | A1269 S1335 S1336 W1337 F1339 W1359 L1366 V1380 | A1269-L1280 HydrophobicContact CB-CD2 3.63Å; A1269-L1280 HydrophobicContact CB-CG 4.47Å; L1280-S1335 CarbonylContact O-C 3.42Å; L1280-S1335 WeakPolarHBondContact O-CA 3.4Å; L1280-S1335 WeakPolarHBondContact O-CB 3.2Å; L1280-S1336 PolarHBondContact O-N 3.43Å; L1280-W1337 HydrophobicContact CB-CB 4.34Å; L1280-W1337 HydrophobicContact CB-CE3 4.09Å; L1280-W1337 HydrophobicContact CD1-CE3 3.61Å; L1280-W1337 HydrophobicContact CD1-CZ3 4.16Å; L1280-W1337 PolarHBondContact N-O 2.92Å; L1280-W1337 PolarHBondContact O-N 2.71Å; L1280-F1339 HydrophobicContact CD1-CE2 3.64Å; L1280-F1339 HydrophobicContact CD1-CZ 4.03Å; L1280-F1339 HydrophobicContact CG-CE2 4.06Å; L1280-W1359 HydrophobicContact CD2-CH2 3.56Å; L1280-W1359 HydrophobicContact CD2-CZ2 3.46Å; L1280-W1359 VanDerWaalsContact CD2-CZ2 3.46Å; L1280-L1366 HydrophobicContact CD2-CD2 4.45Å; L1280-V1380 HydrophobicContact CD1-CB 4.35Å; L1280-V1380 HydrophobicContact CD1-CG1 3.52Å; L1280-V1380 HydrophobicContact CD1-CG2 3.93Å |
| 1281 | W | 87 | Confident | 66.4 | Low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.3 | -174.5 | -50.8 | 88.9 | 0 | 0 | 0 | 109.1 | L1249 E1251 L1267 F1268 S1270 K1279 P1332 S1335 I1778 | L1249-W1281 HydrophobicContact CB-CH2 3.94Å; L1249-W1281 HydrophobicContact CB-CZ3 3.9Å; L1249-W1281 HydrophobicContact CD1-CD2 4.23Å; L1249-W1281 HydrophobicContact CD1-CE3 3.78Å; L1249-W1281 HydrophobicContact CD1-CH2 4.4Å; L1249-W1281 HydrophobicContact CD1-CZ3 3.88Å; L1249-W1281 HydrophobicContact CD2-CE3 4.49Å; L1249-W1281 HydrophobicContact CD2-CZ3 4.13Å; L1249-W1281 HydrophobicContact CG-CZ3 4.19Å; E1251-W1281 HydrophobicContact CB-CH2 4.02Å; E1251-W1281 HydrophobicContact CG-CH2 3.94Å; L1267-W1281 WeakPolarHBondContact CA-O 3.49Å; F1268-W1281 HydrophobicContact CD1-CB 3.65Å; F1268-W1281 HydrophobicContact CD1-CG 4.32Å; F1268-W1281 HydrophobicContact CD2-CB 4.38Å; F1268-W1281 AromaticContact CD2-CD1 3.68Å; F1268-W1281 HydrophobicContact CD2-CG 4.25Å; F1268-W1281 HydrophobicContact CE1-CB 3.33Å; F1268-W1281 AromaticContact CE1-CG 3.83Å; F1268-W1281 HydrophobicContact CE1-CG 3.83Å; F1268-W1281 HydrophobicContact CE2-CB 4.1Å; F1268-W1281 AromaticContact CE2-CD1 3.33Å; F1268-W1281 HydrophobicContact CE2-CD2 4.41Å; F1268-W1281 AromaticContact CE2-CG 3.72Å; F1268-W1281 HydrophobicContact CE2-CG 3.72Å; F1268-W1281 AromaticContact CE2-NE1 3.83Å; F1268-W1281 HydrophobicContact CG-CB 4.19Å; F1268-W1281 HydrophobicContact CZ-CB 3.58Å; F1268-W1281 AromaticContact CZ-CD1 3.64Å; F1268-W1281 HydrophobicContact CZ-CD2 4.08Å; F1268-W1281 AromaticContact CZ-CG 3.49Å; F1268-W1281 HydrophobicContact CZ-CG 3.49Å; F1268-W1281 VanDerWaalsContact CZ-CG 3.49Å; F1268-W1281 PolarHBondContact N-O 3.32Å; F1268-W1281 VanDerWaalsContact N-O 3.1Å; F1268-W1281 PolarHBondContact O-N 3.39Å; S1270-W1281 PolarHBondContact OG-NE1 3.29Å; K1279-W1281 HydrophobicContact CB-CZ2 4.06Å; K1279-W1281 HydrophobicContact CD-CZ2 3.95Å; W1281-P1332 HydrophobicContact CB-CG 4.36Å; W1281-S1335 VanDerWaalsContact CZ3-N 3.26Å; W1281-I1778 HydrophobicContact CZ2-CD1 4.07Å |
| 1282 | N | 78.8 | Confident | 63.3 | Low | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.5 | -177.1 | -179.8 | -1.9 | 0 | 0 | 0 | 110.6 | L1267 G1284 S1336 | L1267-N1282 HydrophobicContact CD2-CB 3.76Å; N1282-G1284 PolarHBondContact OD1-N 3.29Å; N1282-S1336 WeakPolarHBondContact CB-OG 3.47Å |
| 1283 | C | 70.1 | Confident | 60.3 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -110.7 | 38.6 | -172.2 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | R1266 C1330 P1332 L1762 A1764 | R1266-C1283 PolarHBondContact O-N 3.34Å; C1283-C1330 CarbonylContact C-O 3.56Å; C1283-C1330 VanDerWaalsContact CA-O 3.3Å; C1283-C1330 WeakPolarHBondContact CA-O 3.38Å; C1283-P1332 WeakPolarHBondContact SG-CD 3.47Å; C1283-L1762 HydrophobicContact CB-CD1 4.25Å; C1283-L1762 VanDerWaalsContact SG-CD1 3.52Å; C1283-A1764 HydrophobicContact CB-CB 4.31Å; C1283-A1764 WeakPolarHBondContact O-CB 3.48Å |
| 1284 | G | 53.9 | Low | 57.4 | Low | 21 Ų | 21 | 70.4 Ų | 70.4 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -166.8 | 3.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | N1282 C1330 | N1282-G1284 PolarHBondContact OD1-N 3.29Å; G1284-C1330 PolarHBondContact N-O 3.34Å |
| 1285 | F | 46.7 | Very low | 54.6 | Low | 120 Ų | 120 | 75.9 Ų | 75.9 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | trans | -152.1 | 81.6 | -178.8 | -99.7 | -83.4 | 0 | 0 | 0 | 114.4 | P1223 | P1223-F1285 HydrophobicContact CB-CD2 3.56Å; P1223-F1285 HydrophobicContact CB-CE2 3.28Å; P1223-F1285 HydrophobicContact CB-CG 4.43Å; P1223-F1285 HydrophobicContact CB-CZ 3.93Å; P1223-F1285 HydrophobicContact CG-CD2 4.06Å; P1223-F1285 HydrophobicContact CG-CE2 4.27Å | ||
| 1286 | W | 33.7 | Very low | 51.7 | Low | 174 Ų | 174 | 82.5 Ų | 82.5 | 66% | 0.659 | 44% | 0.435 | S | S | * | . | trans | -150.1 | 116.2 | 160.7 | -74.9 | 110.3 | 0 | 0 | 0 | 111.8 | ||||
| 1287 | P | 33.1 | Very low | 48.9 | Very low | 103 Ų | 103 | 88.3 Ų | 88.3 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | trans | -72.7 | 145.6 | 161.3 | -13.6 | 30 | 0 | 0 | 0 | 110.8 | E1289 | P1287-E1289 VanDerWaalsContact C-N 3.34Å; P1287-E1289 PolarHBondContact O-N 3.47Å | ||
| 1288 | T | 28.3 | Very low | 46 | Very low | 127 Ų | 127 | 91.7 Ų | 91.7 | 78% | 0.779 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -80.3 | 67.9 | -174.5 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1289 | E | 29.4 | Very low | 43 | Very low | 186 Ų | 186 | 98.5 Ų | 98.5 | 87% | 0.869 | 54% | 0.539 | S | S | * | . | trans | -136.7 | 13.7 | 176.8 | -68.1 | -166.1 | 152.9 | 0 | 0 | 114.6 | P1287 | P1287-E1289 VanDerWaalsContact C-N 3.34Å; P1287-E1289 PolarHBondContact O-N 3.47Å | ||
| 1290 | S | 30 | Very low | 39.9 | Very low | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 57% | 0.57 | S | S | . | * | trans | -136.1 | 59.7 | -174.5 | 71.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1291 | D | 26.2 | Very low | 36.9 | Very low | 153 Ų | 153 | 107.5 Ų | 107.5 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | trans | -94.7 | 124.4 | 158.4 | -87.3 | -41.3 | 0 | 0 | 0 | 110.5 | R1334 | D1291-R1334 IonicContact OD1-NH1 2.89Š| ||
| 1292 | G | 26.4 | Very low | 34.1 | Very low | 57 Ų | 57 | 115.1 Ų | 115.1 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | trans | 169.3 | 133.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1293 | Y | 27 | Very low | 31.5 | Very low | 217 Ų | 217 | 118.1 Ų | 118.1 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | trans | 59.7 | 101.6 | -167.5 | -70.1 | -89 | 0 | 0 | 0 | 113.4 | ||||
| 1294 | V | 27.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | cis | 66.4 | 99.9 | 14.2 | -171.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1295 | D | 24.6 | Very low | 27.9 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 60.1 | 160.2 | 149.6 | -57.7 | -15 | 0 | 0 | 0 | 122.5 | ||||
| 1296 | Q | 26.5 | Very low | 27.1 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | 67.4 | 100.8 | 171.5 | -55.5 | -177.7 | 34.2 | 0 | 0 | 114.3 | ||||
| 1297 | S | 23.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | cis | 61.7 | 30.4 | 17.9 | 97.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1298 | T | 26.1 | Very low | 26.3 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -143.4 | 144.8 | 162.5 | -5.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1299 | T | 25.6 | Very low | 26.3 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -68.1 | 139.8 | 175.7 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1300 | G | 25.9 | Very low | 26.1 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 123.3 | 116.6 | 152 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1301 | N | 23.9 | Very low | 26 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 33.7 | 149 | 138.2 | -57.1 | -2.9 | 0 | 0 | 0 | 123.5 | ||||
| 1302 | H | 28.6 | Very low | 26 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | 79.1 | 86.3 | 154 | -56.8 | -50.2 | 0 | 0 | 0 | 120.1 | ||||
| 1303 | S | 24.3 | Very low | 26 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 53.1 | 124 | 119.5 | 62.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1304 | S | 25.6 | Very low | 26 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 100 | 107.3 | 129.2 | 78.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 1305 | R | 23.6 | Very low | 25.9 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | 85 | 147.4 | 121.8 | -149.6 | -175.8 | -164.8 | 176.9 | 4.3 | 120.2 | |||||
| 1306 | V | 29.3 | Very low | 25.9 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 99.8 | 91.9 | 159.3 | -166.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1307 | N | 25 | Very low | 25.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 38.2 | 119.7 | 125.9 | -52.6 | 4 | 0 | 0 | 0 | 123.7 | |||||
| 1308 | S | 25.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 32.6 | 137.7 | 129 | 67.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1309 | A | 27.2 | Very low | 25.9 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | 176.8 | 162.8 | 61.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1310 | T | 26.1 | Very low | 25.9 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | 72.7 | 151.5 | 148 | 44.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1311 | S | 28.3 | Very low | 25.9 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 109.2 | 167.7 | -154.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1312 | E | 25.3 | Very low | 26 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | cis | 93.2 | 146.9 | 46.4 | -75.4 | -158.6 | 155.1 | 0 | 0 | 115.3 | ||||
| 1313 | L | 25.9 | Very low | 26 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 103.8 | 170.5 | -65.9 | 159.9 | 0 | 0 | 0 | 119.1 | ||||
| 1314 | V | 28.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | -146.6 | 125.8 | 114 | 154.2 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1315 | Q | 25 | Very low | 26.7 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -121.2 | 128.6 | 164.5 | -80.1 | -173.6 | -16.5 | 0 | 0 | 109.1 | ||||
| 1316 | K | 24.7 | Very low | 27.2 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | trans | 171.9 | 155.5 | 139 | -95.4 | 153.9 | -172.4 | 173.8 | 0 | 111.6 | ||||
| 1317 | S | 23.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | 70.5 | 148.9 | -165 | 83.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1318 | S | 27.2 | Very low | 28.3 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | cis | -136 | 145.2 | 9.8 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | L1320 | S1318-L1320 PolarHBondContact O-N 3.46Š| ||
| 1319 | N | 24.3 | Very low | 29.1 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 94% | 0.936 | 71% | 0.713 | S | S | * | * | trans | -78.5 | 85.3 | 163.4 | -83.2 | -45.1 | 0 | 0 | 0 | 109.1 | ||||
| 1320 | L | 26.8 | Very low | 30.4 | Very low | 130 Ų | 130 | 128 Ų | 128 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | trans | -111.7 | 112.6 | 170 | -101.2 | 80.5 | 0 | 0 | 0 | 111.9 | S1318 N1322 | S1318-L1320 PolarHBondContact O-N 3.46Å; L1320-N1322 PolarHBondContact O-N 3.27Å | ||
| 1321 | K | 25.6 | Very low | 32.1 | Very low | 205 Ų | 205 | 122.4 Ų | 122.4 | 89% | 0.891 | 67% | 0.666 | S | S | * | * | trans | -76.7 | 99.5 | 164.3 | -63.2 | 169.5 | -178.2 | 172.4 | 0 | 108.1 | ||||
| 1322 | N | 25.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | trans | -167.9 | 113.8 | 156.9 | -101.5 | -11.5 | 0 | 0 | 0 | 110.9 | L1320 E1324 L1325 | L1320-N1322 PolarHBondContact O-N 3.27Å; N1322-E1324 PolarHBondContact O-N 2.95Å; N1322-L1325 HydrophobicContact CB-CD1 4.12Å | ||
| 1323 | P | 29.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 83% | 0.831 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -65.1 | -19 | 176.5 | -22.4 | 34.4 | 0 | 0 | 0 | 114.4 | L1325 G1326 | P1323-L1325 PolarHBondContact O-N 3.44Å; P1323-G1326 PolarHBondContact O-N 3.13Å |
| 1324 | E | 31.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -72 | -20 | -167.5 | -61.3 | -159 | 97.8 | 0 | 0 | 115.4 | N1322 G1326 R1782 | N1322-E1324 PolarHBondContact O-N 2.95Å; E1324-G1326 VanDerWaalsContact C-N 3.32Å; E1324-G1326 PolarHBondContact O-N 2.94Å; E1324-R1782 IonicContact OE1-NH1 3.41Å; E1324-R1782 PolarHBondContact OE1-NH1 2.71Å |
| 1325 | L | 33.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 108.4 Ų | 108.4 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -77.4 | -13.7 | 179.4 | -77.6 | 102.9 | 0 | 0 | 0 | 114.1 | N1322 P1323 L1327 A1328 | N1322-L1325 HydrophobicContact CB-CD1 4.12Å; P1323-L1325 PolarHBondContact O-N 3.44Å; L1325-L1327 PolarHBondContact O-N 2.91Å; L1325-L1327 VanDerWaalsContact O-N 3.13Å; L1325-A1328 WeakPolarHBondContact O-CB 3.47Å; L1325-A1328 PolarHBondContact O-N 3.21Å; L1325-A1328 VanDerWaalsContact O-N 3.14Å |
| 1326 | G | 34.2 | Very low | 43.1 | Very low | 54 Ų | 54 | 102 Ų | 102 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -61.5 | -23.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1323 E1324 | P1323-G1326 PolarHBondContact O-N 3.13Å; E1324-G1326 VanDerWaalsContact C-N 3.32Å; E1324-G1326 PolarHBondContact O-N 2.94Å |
| 1327 | L | 39.3 | Very low | 45.8 | Very low | 82 Ų | 82 | 99 Ų | 99 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -85.7 | -15.7 | 179.8 | -74.3 | 162.7 | 0 | 0 | 0 | 113.9 | L1325 Y1329 | L1325-L1327 PolarHBondContact O-N 2.91Å; L1325-L1327 VanDerWaalsContact O-N 3.13Å; L1327-Y1329 VanDerWaalsContact C-N 3.27Å; L1327-Y1329 PolarHBondContact O-N 3.24Å |
| 1328 | A | 36.5 | Very low | 48.7 | Very low | 52 Ų | 52 | 96.2 Ų | 96.2 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -67.5 | -28.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1325 C1330 L1331 | L1325-A1328 WeakPolarHBondContact O-CB 3.47Å; L1325-A1328 PolarHBondContact O-N 3.21Å; L1325-A1328 VanDerWaalsContact O-N 3.14Å; A1328-C1330 PolarHBondContact O-N 3.14Å; A1328-L1331 PolarHBondContact O-N 3.05Å |
| 1329 | Y | 43.5 | Very low | 51.3 | Low | 178 Ų | 178 | 92.7 Ų | 92.7 | 70% | 0.698 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -66.1 | -3.5 | -176.5 | -64.8 | -83.4 | 0 | 0 | 0 | 115.4 | L1327 | L1327-Y1329 VanDerWaalsContact C-N 3.27Å; L1327-Y1329 PolarHBondContact O-N 3.24Å |
| 1330 | C | 53.7 | Low | 53.8 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -97 | -5.7 | 176.7 | -69.4 | 0 | 0 | 0 | 0 | 114.4 | C1283 G1284 A1328 | C1283-C1330 CarbonylContact C-O 3.56Å; C1283-C1330 VanDerWaalsContact CA-O 3.3Å; C1283-C1330 WeakPolarHBondContact CA-O 3.38Å; G1284-C1330 PolarHBondContact N-O 3.34Å; A1328-C1330 PolarHBondContact O-N 3.14Å |
| 1331 | L | 62.8 | Low | 56 | Low | 22 Ų | 22 | 82.8 Ų | 82.8 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -88.1 | 142.6 | -178.8 | -61.7 | -179.2 | 0 | 0 | 0 | 111.8 | L1246 A1247 A1328 F1768 I1780 | L1246-L1331 HydrophobicContact CB-CD1 3.36Å; L1246-L1331 HydrophobicContact CD1-CD1 4.07Å; L1246-L1331 HydrophobicContact CG-CD1 4.38Å; A1247-L1331 HydrophobicContact CB-CB 4.3Å; A1247-L1331 HydrophobicContact CB-CD1 4.05Å; A1328-L1331 PolarHBondContact O-N 3.05Å; L1331-F1768 HydrophobicContact CD2-CD2 4.25Å; L1331-F1768 HydrophobicContact CD2-CE2 4.25Å; L1331-I1780 HydrophobicContact CD1-CG2 4.31Å; L1331-I1780 HydrophobicContact CD2-CD1 4.18Å; L1331-I1780 HydrophobicContact CD2-CG2 4.22Å |
| 1332 | P | 65.4 | Low | 57.9 | Low | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.071 | 41% | 0.412 | C | S | . | . | trans | -69.4 | 141.9 | 178 | 28.8 | -33.5 | 0 | 0 | 0 | 110.4 | L1249 W1281 C1283 | L1249-P1332 WeakPolarHBondContact CD2-O 3.49Å; W1281-P1332 HydrophobicContact CB-CG 4.36Å; C1283-P1332 WeakPolarHBondContact SG-CD 3.47Å | ||
| 1333 | T | 65 | Low | 59.3 | Low | 130 Ų | 130 | 73.7 Ų | 73.7 | 80% | 0.798 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -93.1 | -22 | 165.3 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1334 | R | 74.5 | Confident | 60.3 | Low | 136 Ų | 136 | 75.5 Ų | 75.5 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -143.6 | 161.8 | -179.7 | 66.7 | 179.1 | -175.3 | -129.9 | -0.2 | 111.7 | E1251 D1291 | E1251-R1334 WeakPolarHBondContact OE1-CA 3.42Å; E1251-R1334 WeakPolarHBondContact OE1-CB 3.06Å; D1291-R1334 IonicContact OD1-NH1 2.89Å |
| 1335 | S | 79.2 | Confident | 61.1 | Low | 15 Ų | 15 | 77.7 Ų | 77.7 | 11% | 0.105 | 41% | 0.414 | C | S | . | . | trans | -64.9 | 141 | 172.5 | 66.5 | 0 | 0 | 0 | 0 | 110.2 | E1251 L1280 W1281 T1338 | E1251-S1335 PolarHBondContact OE1-N 3.26Å; E1251-S1335 VanDerWaalsContact OE2-CB 3.31Å; E1251-S1335 WeakPolarHBondContact OE2-CB 3.5Å; E1251-S1335 PolarHBondContact OE2-OG 3.44Å; L1280-S1335 CarbonylContact O-C 3.42Å; L1280-S1335 WeakPolarHBondContact O-CA 3.4Å; L1280-S1335 WeakPolarHBondContact O-CB 3.2Å; W1281-S1335 VanDerWaalsContact CZ3-N 3.26Å; S1335-T1338 PolarHBondContact OG-OG1 3.24Å; S1335-T1338 VanDerWaalsContact OG-OG1 3.13Å | ||
| 1336 | S | 79.2 | Confident | 61.8 | Low | 38 Ų | 38 | 75.1 Ų | 75.1 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -78.7 | -32.4 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | L1280 N1282 | L1280-S1336 PolarHBondContact O-N 3.43Å; N1282-S1336 WeakPolarHBondContact CB-OG 3.47Å |
| 1337 | W | 81.2 | Confident | 62.5 | Low | 132 Ų | 132 | 79.6 Ų | 79.6 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.4 | 172 | -62.6 | -60.5 | 0 | 0 | 0 | 110.4 | K1279 L1280 F1339 V1380 | K1279-W1337 CarbonylContact C-O 3.52Å; K1279-W1337 WeakPolarHBondContact CA-O 3.24Å; L1280-W1337 HydrophobicContact CB-CB 4.34Å; L1280-W1337 HydrophobicContact CB-CE3 4.09Å; L1280-W1337 HydrophobicContact CD1-CE3 3.61Å; L1280-W1337 HydrophobicContact CD1-CZ3 4.16Å; L1280-W1337 PolarHBondContact N-O 2.92Å; L1280-W1337 PolarHBondContact O-N 2.71Å; W1337-F1339 HydrophobicContact CB-CE2 4.16Å; W1337-F1339 HydrophobicContact CB-CZ 4.08Å; W1337-V1380 HydrophobicContact CZ3-CG1 4.17Å |
| 1338 | T | 84.6 | Confident | 63.2 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.6 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 108.4 | L1277 V1278 K1279 S1335 | L1277-T1338 HydrophobicContact CB-CG2 4.17Å; L1277-T1338 HydrophobicContact CD1-CG2 3.9Å; L1277-T1338 HydrophobicContact CD2-CG2 4.37Å; L1277-T1338 HydrophobicContact CG-CG2 4.37Å; V1278-T1338 CarbonylContact O-C 3.45Å; V1278-T1338 WeakPolarHBondContact O-CA 3.3Å; K1279-T1338 HydrophobicContact CG-CG2 4.2Å; K1279-T1338 PolarHBondContact NZ-OG1 3.18Å; S1335-T1338 PolarHBondContact OG-OG1 3.24Å; S1335-T1338 VanDerWaalsContact OG-OG1 3.13Å |
| 1339 | F | 81.7 | Confident | 64 | Low | 11 Ų | 11 | 85.4 Ų | 85.4 | 5% | 0.048 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.7 | 174.5 | -50.2 | -84.5 | 0 | 0 | 0 | 109.8 | L1277 V1278 L1280 W1337 I1378 | L1277-F1339 WeakPolarHBondContact CA-O 3.09Å; V1278-F1339 HydrophobicContact CB-CB 4.45Å; V1278-F1339 HydrophobicContact CB-CD2 4.4Å; V1278-F1339 PolarHBondContact N-O 2.89Å; V1278-F1339 WeakPolarHBondContact O-CD2 3.44Å; V1278-F1339 PolarHBondContact O-N 3.34Å; L1280-F1339 HydrophobicContact CD1-CE2 3.64Å; L1280-F1339 HydrophobicContact CD1-CZ 4.03Å; L1280-F1339 HydrophobicContact CG-CE2 4.06Å; W1337-F1339 HydrophobicContact CB-CE2 4.16Å; W1337-F1339 HydrophobicContact CB-CZ 4.08Å; F1339-I1378 HydrophobicContact CB-CD1 4.12Å; F1339-I1378 HydrophobicContact CD1-CG2 3.87Å; F1339-I1378 HydrophobicContact CD2-CD1 4.22Å; F1339-I1378 HydrophobicContact CD2-CG2 3.95Å; F1339-I1378 HydrophobicContact CE1-CG2 3.81Å; F1339-I1378 HydrophobicContact CE2-CG2 3.89Å; F1339-I1378 HydrophobicContact CG-CD1 4.23Å; F1339-I1378 HydrophobicContact CG-CG2 3.94Å; F1339-I1378 HydrophobicContact CZ-CG2 3.83Å |
| 1340 | N | 78 | Confident | 64.8 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.9 | 169.1 | 179.3 | 8.2 | 0 | 0 | 0 | 109.2 | L1277 S1342 | L1277-N1340 HydrophobicContact CD2-CB 4Å; N1340-S1342 PolarHBondContact ND2-OG 2.98Å; N1340-S1342 PolarHBondContact OD1-N 3.33Å; N1340-S1342 PolarHBondContact OD1-OG 2.74Å |
| 1341 | C | 72.6 | Confident | 65.2 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 3% | 0.027 | 45% | 0.448 | C | S | . | . | trans | -102.2 | 13.1 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | G1276 L1370 Q1376 | G1276-C1341 PolarHBondContact O-N 3.49Å; C1341-L1370 HydrophobicContact CB-CD1 3.74Å; C1341-L1370 WeakPolarHBondContact O-CD2 3.3Å; C1341-Q1376 HydrophobicContact CB-CG 4.47Å | ||
| 1342 | S | 64.1 | Low | 65.6 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 33% | 0.329 | 45% | 0.447 | S | S | . | . | trans | -69.5 | 144.7 | 169.5 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | N1340 | N1340-S1342 PolarHBondContact ND2-OG 2.98Å; N1340-S1342 PolarHBondContact OD1-N 3.33Å; N1340-S1342 PolarHBondContact OD1-OG 2.74Å | ||
| 1343 | E | 55.4 | Low | 66.4 | Low | 70 Ų | 70 | 83.9 Ų | 83.9 | 33% | 0.327 | 46% | 0.458 | S | S | . | . | trans | -67.8 | 146.7 | 161.6 | -75 | 164.3 | 163.2 | 0 | 0 | 109.2 | K1352 Q1390 | E1343-K1352 IonicContact OE1-NZ 3.28Å; E1343-K1352 IonicContact OE2-NZ 2.62Å; E1343-K1352 PolarHBondContact OE2-NZ 3.1Å; E1343-Q1390 PolarHBondContact OE1-OE1 2.05Å | ||
| 1344 | Q | 49.9 | Very low | 67.4 | Low | 167 Ų | 167 | 77.7 Ų | 77.7 | 78% | 0.78 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -85.3 | -13.4 | 174.6 | -70 | -173.5 | -34.6 | 0 | 0 | 113 | ||
| 1345 | D | 49.7 | Very low | 67.9 | Low | 163 Ų | 163 | 76.7 Ų | 76.7 | 87% | 0.872 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -107.2 | 7.1 | -171 | -56.8 | -57 | 0 | 0 | 0 | 114.5 | ||
| 1346 | S | 47.4 | Very low | 68.2 | Low | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | trans | -106.5 | 122.7 | -179.7 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | D1348 | S1346-D1348 PolarHBondContact O-N 3.34Š| ||
| 1347 | T | 49.7 | Very low | 68.7 | Low | 148 Ų | 148 | 75.6 Ų | 75.6 | 91% | 0.908 | 41% | 0.408 | S | S | * | . | trans | -74 | -6.5 | -179.2 | 50.5 | 0 | 0 | 0 | 0 | 115.1 | S1349 | T1347-S1349 PolarHBondContact O-N 2.72Š| ||
| 1348 | D | 53.7 | Low | 69 | Low | 129 Ų | 129 | 69.9 Ų | 69.9 | 69% | 0.69 | 39% | 0.388 | S | S | * | . | trans | -76 | 115.8 | 175.3 | -81.7 | -31.5 | 0 | 0 | 0 | 111 | S1346 S1350 | S1346-D1348 PolarHBondContact O-N 3.34Å; D1348-S1350 PolarHBondContact O-N 2.98Å; D1348-S1350 VanDerWaalsContact O-N 3.09Å | ||
| 1349 | S | 52.2 | Low | 68.9 | Low | 128 Ų | 128 | 67.1 Ų | 67.1 | 90% | 0.895 | 37% | 0.37 | S | S | * | . | trans | -76.3 | 12.9 | -178.6 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | T1347 I1351 | T1347-S1349 PolarHBondContact O-N 2.72Å; S1349-I1351 PolarHBondContact O-N 2.91Å | ||
| 1350 | S | 61.6 | Low | 68.6 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | trans | -72.2 | 124.5 | 178.4 | 59 | 0 | 0 | 0 | 0 | 111.6 | D1348 K1352 | D1348-S1350 PolarHBondContact O-N 2.98Å; D1348-S1350 VanDerWaalsContact O-N 3.09Å; S1350-K1352 PolarHBondContact O-N 3.47Å; S1350-K1352 VanDerWaalsContact O-N 3.1Å | ||
| 1351 | I | 61.7 | Low | 68 | Low | 79 Ų | 79 | 64.4 Ų | 64.4 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | trans | -60 | 114.3 | 171.8 | -61.8 | 172.8 | 0 | 0 | 0 | 108.7 | D1275 S1349 F1737 | D1275-I1351 WeakPolarHBondContact O-CG2 3.39Å; S1349-I1351 PolarHBondContact O-N 2.91Å; I1351-F1737 HydrophobicContact CD1-CZ 4.02Å | ||
| 1352 | K | 70.5 | Confident | 67.5 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | trans | -69.4 | 138.5 | 178.2 | -61.7 | -164.4 | 177.8 | -171.9 | 0 | 110.7 | G1276 E1343 S1350 L1370 D1371 | G1276-K1352 WeakPolarHBondContact CA-O 3.44Å; E1343-K1352 IonicContact OE1-NZ 3.28Å; E1343-K1352 IonicContact OE2-NZ 2.62Å; E1343-K1352 PolarHBondContact OE2-NZ 3.1Å; S1350-K1352 PolarHBondContact O-N 3.47Å; S1350-K1352 VanDerWaalsContact O-N 3.1Å; K1352-L1370 HydrophobicContact CB-CD1 3.55Å; K1352-L1370 HydrophobicContact CB-CG 4.16Å; K1352-L1370 HydrophobicContact CD-CD1 4.31Å; K1352-L1370 HydrophobicContact CD-CD2 4.01Å; K1352-L1370 HydrophobicContact CD-CG 4.15Å; K1352-D1371 WeakPolarHBondContact CA-OD1 3.43Å; K1352-D1371 WeakPolarHBondContact CD-OD2 3.27Å; K1352-D1371 WeakPolarHBondContact CG-OD2 3.49Å | ||
| 1353 | I | 82.3 | Confident | 67.8 | Low | 59 Ų | 59 | 66.1 Ų | 66.1 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | trans | -93.8 | 110.2 | -169.5 | -51.8 | -179.8 | 0 | 0 | 0 | 109.9 | R1355 D1371 | I1353-R1355 HydrophobicContact CG2-CG 4.22Å; I1353-D1371 PolarHBondContact N-OD1 3.14Å; I1353-D1371 PolarHBondContact O-N 2.92Å | ||
| 1354 | C | 85.5 | Confident | 68.5 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.5 | 166.9 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | C1271 S1273 G1276 I1369 | C1271-C1354 HydrophobicContact CB-CB 4.07Å; S1273-C1354 WeakPolarHBondContact CA-O 3.44Å; G1276-C1354 PolarHBondContact O-SG 2.84Å; G1276-C1354 VanDerWaalsContact O-SG 3.35Å; C1354-I1369 CarbonylContact C-O 3.55Å; C1354-I1369 WeakPolarHBondContact CA-O 3.42Å |
| 1355 | R | 85.3 | Confident | 69.8 | Low | 115 Ų | 115 | 57.6 Ų | 57.6 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.1 | 172.5 | -77.8 | -166.4 | 170.8 | 100.5 | -1.2 | 110.9 | M1256 I1353 T1368 I1369 | M1256-R1355 HydrophobicContact CE-CG 3.96Å; I1353-R1355 HydrophobicContact CG2-CG 4.22Å; R1355-T1368 PolarHBondContact O-OG1 2.95Å; R1355-I1369 PolarHBondContact N-O 3.06Å; R1355-I1369 WeakPolarHBondContact O-CB 3.45Å; R1355-I1369 WeakPolarHBondContact O-CG1 3.06Å; R1355-I1369 PolarHBondContact O-N 2.68Å |
| 1356 | S | 86 | Confident | 71.5 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.8 | 141 | -179.5 | -165.9 | 0 | 0 | 0 | 0 | 112.8 | T1368 L1402 | S1356-T1368 VanDerWaalsContact O-CA 3.32Å; S1356-T1368 WeakPolarHBondContact O-CA 3.38Å; S1356-T1368 WeakPolarHBondContact O-CB 3.16Å; S1356-T1368 PolarHBondContact O-OG1 2.89Å; S1356-L1402 PolarHBondContact OG-N 3.25Å; S1356-L1402 PolarHBondContact OG-O 2.78Å; S1356-L1402 VanDerWaalsContact OG-O 3.07Å |
| 1357 | L | 89 | Confident | 73.4 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.1 | -171.9 | -164.4 | 62.8 | 0 | 0 | 0 | 109.6 | A1260 A1269 C1271 V1278 L1366 | A1260-L1357 HydrophobicContact CB-CB 4.01Å; A1260-L1357 HydrophobicContact CB-CD2 3.99Å; A1260-L1357 HydrophobicContact CB-CG 3.77Å; A1260-L1357 WeakPolarHBondContact CB-O 3.39Å; A1269-L1357 HydrophobicContact CB-CD2 3.57Å; A1269-L1357 HydrophobicContact CB-CG 4.41Å; C1271-L1357 HydrophobicContact CB-CD1 4.27Å; C1271-L1357 HydrophobicContact CB-CD2 4.16Å; V1278-L1357 HydrophobicContact CG1-CD1 4.05Å; V1278-L1357 HydrophobicContact CG1-CD2 4.44Å; L1357-L1366 HydrophobicContact CD1-CD1 3.96Å; L1357-L1366 HydrophobicContact CD1-CD2 4.13Å; L1357-L1366 HydrophobicContact CD1-CG 3.84Å; L1357-L1366 HydrophobicContact CD2-CD1 4.47Å; L1357-L1366 HydrophobicContact CG-CD1 3.93Å; L1357-L1366 HydrophobicContact CG-CG 4.36Å |
| 1358 | V | 87.9 | Confident | 75.3 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.4 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | L1366 V1367 L1402 T1404 I1430 | V1358-L1366 WeakPolarHBondContact O-CA 3.37Å; V1358-V1367 HydrophobicContact CG2-CB 4.06Å; V1358-V1367 PolarHBondContact N-O 2.94Å; V1358-V1367 PolarHBondContact O-N 2.95Å; V1358-L1402 HydrophobicContact CG1-CG 4.09Å; V1358-L1402 WeakPolarHBondContact CG1-O 3.21Å; V1358-L1402 HydrophobicContact CG2-CD1 4.28Å; V1358-L1402 HydrophobicContact CG2-CD2 3.78Å; V1358-L1402 HydrophobicContact CG2-CG 3.76Å; V1358-T1404 HydrophobicContact CB-CG2 4.36Å; V1358-I1430 HydrophobicContact CG2-CG2 4.39Å |
| 1359 | W | 82.6 | Confident | 77 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.7 | 161.6 | -67.2 | 90.9 | 0 | 0 | 0 | 109.6 | A1260 T1261 H1262 A1269 L1280 C1365 L1366 V1380 | A1260-W1359 PolarHBondContact O-NE1 2.92Å; T1261-W1359 VanDerWaalsContact C-CD1 3.43Å; H1262-W1359 HydrophobicContact CB-CD2 4.05Å; H1262-W1359 HydrophobicContact CB-CE3 4.48Å; H1262-W1359 HydrophobicContact CB-CH2 4.2Å; H1262-W1359 HydrophobicContact CB-CZ2 3.78Å; H1262-W1359 AromaticContact CD2-CE3 3.69Å; H1262-W1359 AromaticContact CD2-CZ3 3.73Å; A1269-W1359 HydrophobicContact CB-CZ2 4.17Å; L1280-W1359 HydrophobicContact CD2-CH2 3.56Å; L1280-W1359 HydrophobicContact CD2-CZ2 3.46Å; L1280-W1359 VanDerWaalsContact CD2-CZ2 3.46Å; W1359-C1365 WeakPolarHBondContact CA-O 3.45Å; W1359-L1366 HydrophobicContact CD2-CD1 3.77Å; W1359-L1366 HydrophobicContact CE3-CB 4.44Å; W1359-L1366 HydrophobicContact CE3-CD1 4.3Å; W1359-L1366 HydrophobicContact CG-CD1 4.02Å; W1359-L1366 HydrophobicContact CZ2-CD1 4.22Å; W1359-V1380 HydrophobicContact CH2-CB 4.49Å; W1359-V1380 HydrophobicContact CH2-CG1 4.13Å; W1359-V1380 HydrophobicContact CH2-CG2 3.99Å; W1359-V1380 HydrophobicContact CZ3-CB 4.15Å; W1359-V1380 HydrophobicContact CZ3-CG1 4.22Å; W1359-V1380 HydrophobicContact CZ3-CG2 3.69Å |
| 1360 | T | 75 | Confident | 78.7 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | trans | -63.2 | 145.7 | 159.4 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | N1362 G1363 C1365 L1444 | T1360-N1362 VanDerWaalsContact CB-OD1 3.26Å; T1360-N1362 WeakPolarHBondContact CB-OD1 3.25Å; T1360-N1362 PolarHBondContact O-N 2.8Å; T1360-N1362 VanDerWaalsContact O-N 3.12Å; T1360-N1362 PolarHBondContact OG1-OD1 2.97Å; T1360-G1363 WeakPolarHBondContact O-CA 3.38Å; T1360-G1363 PolarHBondContact O-N 3.21Å; T1360-C1365 HydrophobicContact CG2-CB 3.88Å; T1360-C1365 PolarHBondContact N-O 3.11Å; T1360-C1365 PolarHBondContact OG1-N 3.24Å; T1360-C1365 PolarHBondContact OG1-O 3.03Å; T1360-L1444 HydrophobicContact CG2-CD1 3.32Å | ||
| 1361 | S | 65.7 | Low | 79.7 | Confident | 43 Ų | 43 | 26.8 Ų | 26.8 | 30% | 0.301 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.8 | -169.1 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | G1363 T1427 | S1361-G1363 VanDerWaalsContact C-N 3.32Å; S1361-T1427 PolarHBondContact N-O 2.78Å; S1361-T1427 VanDerWaalsContact OG-CA 3.23Å; S1361-T1427 WeakPolarHBondContact OG-CA 3.43Å; S1361-T1427 WeakPolarHBondContact OG-CB 3.44Å; S1361-T1427 PolarHBondContact OG-O 3.08Å; S1361-T1427 VanDerWaalsContact OG-O 3.13Å |
| 1362 | N | 63.3 | Low | 80.7 | Confident | 77 Ų | 77 | 23.4 Ų | 23.4 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.1 | 167.2 | 68.3 | -1.9 | 0 | 0 | 0 | 114.6 | T1360 S1364 N1428 | T1360-N1362 VanDerWaalsContact CB-OD1 3.26Å; T1360-N1362 WeakPolarHBondContact CB-OD1 3.25Å; T1360-N1362 PolarHBondContact O-N 2.8Å; T1360-N1362 VanDerWaalsContact O-N 3.12Å; T1360-N1362 PolarHBondContact OG1-OD1 2.97Å; N1362-S1364 VanDerWaalsContact C-N 3.33Å; N1362-S1364 PolarHBondContact ND2-OG 2.92Å; N1362-S1364 VanDerWaalsContact ND2-OG 3.14Å; N1362-S1364 PolarHBondContact O-N 2.85Å; N1362-S1364 PolarHBondContact OD1-N 3.44Å; N1362-S1364 VanDerWaalsContact OD1-N 3.1Å; N1362-S1364 PolarHBondContact OD1-OG 2.77Å; N1362-S1364 VanDerWaalsContact OD1-OG 3.07Å; N1362-N1428 PolarHBondContact ND2-OD1 3.29Å; N1362-N1428 VanDerWaalsContact ND2-OD1 3.12Å |
| 1363 | G | 69.3 | Low | 81.3 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 76.5 | 1.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | H1262 T1360 S1361 | H1262-G1363 WeakPolarHBondContact NE2-CA 3.27Å; H1262-G1363 PolarHBondContact NE2-O 2.67Å; T1360-G1363 WeakPolarHBondContact O-CA 3.38Å; T1360-G1363 PolarHBondContact O-N 3.21Å; S1361-G1363 VanDerWaalsContact C-N 3.32Å |
| 1364 | S | 71.1 | Confident | 81.4 | Confident | 49 Ų | 49 | 26.6 Ų | 26.6 | 34% | 0.343 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -78.6 | -32.7 | -173.4 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | N1362 V1380 | N1362-S1364 VanDerWaalsContact C-N 3.33Å; N1362-S1364 PolarHBondContact ND2-OG 2.92Å; N1362-S1364 VanDerWaalsContact ND2-OG 3.14Å; N1362-S1364 PolarHBondContact O-N 2.85Å; N1362-S1364 PolarHBondContact OD1-N 3.44Å; N1362-S1364 VanDerWaalsContact OD1-N 3.1Å; N1362-S1364 PolarHBondContact OD1-OG 2.77Å; N1362-S1364 VanDerWaalsContact OD1-OG 3.07Å; S1364-V1380 PolarHBondContact O-N 3.29Å |
| 1365 | C | 76.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.3 | -173 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | W1359 T1360 Q1377 I1378 | W1359-C1365 WeakPolarHBondContact CA-O 3.45Å; T1360-C1365 HydrophobicContact CG2-CB 3.88Å; T1360-C1365 PolarHBondContact N-O 3.11Å; T1360-C1365 PolarHBondContact OG1-N 3.24Å; T1360-C1365 PolarHBondContact OG1-O 3.03Å; C1365-Q1377 HydrophobicContact CB-CG 4.2Å; C1365-Q1377 PolarHBondContact SG-NE2 2.77Å; C1365-Q1377 VanDerWaalsContact SG-NE2 3.42Å; C1365-I1378 WeakPolarHBondContact CA-O 3.49Å |
| 1366 | L | 84.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.3 | 177.9 | -174.7 | 71.9 | 0 | 0 | 0 | 107.7 | A1260 A1269 V1278 L1280 L1357 V1358 W1359 I1378 V1380 | A1260-L1366 HydrophobicContact CB-CD1 4.39Å; A1269-L1366 HydrophobicContact CB-CD1 3.77Å; A1269-L1366 HydrophobicContact CB-CD2 3.56Å; A1269-L1366 HydrophobicContact CB-CG 4.33Å; V1278-L1366 HydrophobicContact CG1-CD2 3.48Å; V1278-L1366 VanDerWaalsContact CG1-CD2 3.48Å; L1280-L1366 HydrophobicContact CD2-CD2 4.45Å; L1357-L1366 HydrophobicContact CD1-CD1 3.96Å; L1357-L1366 HydrophobicContact CD1-CD2 4.13Å; L1357-L1366 HydrophobicContact CD1-CG 3.84Å; L1357-L1366 HydrophobicContact CD2-CD1 4.47Å; L1357-L1366 HydrophobicContact CG-CD1 3.93Å; L1357-L1366 HydrophobicContact CG-CG 4.36Å; V1358-L1366 WeakPolarHBondContact O-CA 3.37Å; W1359-L1366 HydrophobicContact CD2-CD1 3.77Å; W1359-L1366 HydrophobicContact CE3-CB 4.44Å; W1359-L1366 HydrophobicContact CE3-CD1 4.3Å; W1359-L1366 HydrophobicContact CG-CD1 4.02Å; W1359-L1366 HydrophobicContact CZ2-CD1 4.22Å; L1366-I1378 HydrophobicContact CB-CB 4.34Å; L1366-I1378 PolarHBondContact N-O 2.92Å; L1366-I1378 PolarHBondContact O-N 2.82Å; L1366-V1380 HydrophobicContact CB-CG2 4.05Å |
| 1367 | V | 87.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.9 | -176.9 | -170 | 0 | 0 | 0 | 0 | 110.5 | V1358 L1375 Q1376 L1402 I1430 L1444 | V1358-V1367 HydrophobicContact CG2-CB 4.06Å; V1358-V1367 PolarHBondContact N-O 2.94Å; V1358-V1367 PolarHBondContact O-N 2.95Å; V1367-L1375 HydrophobicContact CG1-CB 4.17Å; V1367-Q1376 WeakPolarHBondContact CA-O 3.46Å; V1367-L1402 HydrophobicContact CB-CD2 4.26Å; V1367-L1402 HydrophobicContact CG1-CD2 3.97Å; V1367-I1430 HydrophobicContact CG1-CD1 4.13Å; V1367-L1444 HydrophobicContact CG2-CD1 3.95Å |
| 1368 | T | 89.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.5 | 174.5 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | V1278 R1355 S1356 L1375 Q1376 | V1278-T1368 HydrophobicContact CG2-CG2 3.99Å; R1355-T1368 PolarHBondContact O-OG1 2.95Å; S1356-T1368 VanDerWaalsContact O-CA 3.32Å; S1356-T1368 WeakPolarHBondContact O-CA 3.38Å; S1356-T1368 WeakPolarHBondContact O-CB 3.16Å; S1356-T1368 PolarHBondContact O-OG1 2.89Å; T1368-L1375 WeakPolarHBondContact O-CA 3.43Å; T1368-Q1376 HydrophobicContact CG2-CB 4.1Å; T1368-Q1376 PolarHBondContact N-O 2.95Å; T1368-Q1376 VanDerWaalsContact N-O 3.11Å; T1368-Q1376 PolarHBondContact O-N 2.83Å |
| 1369 | I | 89.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.1 | 173.6 | -45.1 | 167.2 | 0 | 0 | 0 | 108.9 | C1354 R1355 L1375 A1399 L1402 | C1354-I1369 CarbonylContact C-O 3.55Å; C1354-I1369 WeakPolarHBondContact CA-O 3.42Å; R1355-I1369 PolarHBondContact N-O 3.06Å; R1355-I1369 WeakPolarHBondContact O-CB 3.45Å; R1355-I1369 WeakPolarHBondContact O-CG1 3.06Å; R1355-I1369 PolarHBondContact O-N 2.68Å; I1369-L1375 HydrophobicContact CB-CD2 4.4Å; I1369-L1375 HydrophobicContact CG1-CD2 3.94Å; I1369-L1375 HydrophobicContact CG2-CD2 4.43Å; I1369-A1399 HydrophobicContact CD1-CB 3.98Å; I1369-A1399 HydrophobicContact CG1-CB 4.39Å; I1369-A1399 HydrophobicContact CG2-CB 3.8Å; I1369-L1402 HydrophobicContact CD1-CB 3.86Å; I1369-L1402 HydrophobicContact CG1-CB 3.84Å; I1369-L1402 HydrophobicContact CG1-CD2 4.12Å |
| 1370 | L | 87.4 | Confident | 80 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | 179.7 | -171.6 | 68.8 | 0 | 0 | 0 | 110.1 | C1341 K1352 G1372 K1373 L1374 | C1341-L1370 HydrophobicContact CB-CD1 3.74Å; C1341-L1370 WeakPolarHBondContact O-CD2 3.3Å; K1352-L1370 HydrophobicContact CB-CD1 3.55Å; K1352-L1370 HydrophobicContact CB-CG 4.16Å; K1352-L1370 HydrophobicContact CD-CD1 4.31Å; K1352-L1370 HydrophobicContact CD-CD2 4.01Å; K1352-L1370 HydrophobicContact CD-CG 4.15Å; L1370-G1372 PolarHBondContact O-N 2.89Å; L1370-K1373 PolarHBondContact O-N 3.12Å; L1370-L1374 HydrophobicContact CB-CB 4.27Å; L1370-L1374 HydrophobicContact CD2-CD1 4.26Å; L1370-L1374 PolarHBondContact N-O 2.79Å; L1370-L1374 PolarHBondContact O-N 3.08Å; L1370-L1374 VanDerWaalsContact O-N 3.1Å |
| 1371 | D | 83.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 29.5 Ų | 29.5 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 8.6 | -174.6 | -63.5 | -36.7 | 0 | 0 | 0 | 116 | K1352 I1353 K1373 | K1352-D1371 WeakPolarHBondContact CA-OD1 3.43Å; K1352-D1371 WeakPolarHBondContact CD-OD2 3.27Å; K1352-D1371 WeakPolarHBondContact CG-OD2 3.49Å; I1353-D1371 PolarHBondContact N-OD1 3.14Å; I1353-D1371 PolarHBondContact O-N 2.92Å; D1371-K1373 HydrophobicContact CB-CD 4.41Å; D1371-K1373 HydrophobicContact CB-CG 4.41Å; D1371-K1373 PolarHBondContact O-N 2.63Å |
| 1372 | G | 82.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 2.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1370 R1398 A1399 | L1370-G1372 PolarHBondContact O-N 2.89Å; G1372-R1398 CarbonylContact O-C 3.6Å; G1372-R1398 WeakPolarHBondContact O-CA 3.36Å; G1372-R1398 WeakPolarHBondContact O-CB 2.98Å; G1372-A1399 PolarHBondContact O-N 3.19Å |
| 1373 | K | 84 | Confident | 78.8 | Confident | 127 Ų | 127 | 29.4 Ų | 29.4 | 55% | 0.552 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -29.1 | -172.5 | -63.9 | 175.7 | -176.5 | 170.1 | 0 | 113.8 | L1370 D1371 I1393 | L1370-K1373 PolarHBondContact O-N 3.12Å; D1371-K1373 HydrophobicContact CB-CD 4.41Å; D1371-K1373 HydrophobicContact CB-CG 4.41Å; D1371-K1373 PolarHBondContact O-N 2.63Å; K1373-I1393 WeakPolarHBondContact O-CB 3.42Å; K1373-I1393 WeakPolarHBondContact O-CG1 3.35Å; K1373-I1393 PolarHBondContact O-N 3.1Å |
| 1374 | L | 84.1 | Confident | 77.8 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.3 | -176.7 | -55.9 | 172.4 | 0 | 0 | 0 | 109 | L1370 L1391 K1392 | L1370-L1374 HydrophobicContact CB-CB 4.27Å; L1370-L1374 HydrophobicContact CD2-CD1 4.26Å; L1370-L1374 PolarHBondContact N-O 2.79Å; L1370-L1374 PolarHBondContact O-N 3.08Å; L1370-L1374 VanDerWaalsContact O-N 3.1Å; L1374-L1391 CarbonylContact C-O 3.38Å; L1374-L1391 WeakPolarHBondContact CA-O 3.48Å; L1374-K1392 HydrophobicContact CD2-CB 4.14Å; L1374-K1392 HydrophobicContact CD2-CG 4.1Å |
| 1375 | L | 86 | Confident | 76.8 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.6 | 161 | -56.7 | 167.7 | 0 | 0 | 0 | 107.6 | V1367 T1368 I1369 L1391 I1393 L1402 I1430 Y1432 | V1367-L1375 HydrophobicContact CG1-CB 4.17Å; T1368-L1375 WeakPolarHBondContact O-CA 3.43Å; I1369-L1375 HydrophobicContact CB-CD2 4.4Å; I1369-L1375 HydrophobicContact CG1-CD2 3.94Å; I1369-L1375 HydrophobicContact CG2-CD2 4.43Å; L1375-L1391 HydrophobicContact CB-CB 4.14Å; L1375-L1391 PolarHBondContact N-O 3.13Å; L1375-L1391 PolarHBondContact O-N 3.28Å; L1375-I1393 HydrophobicContact CD2-CD1 4.41Å; L1375-I1393 HydrophobicContact CG-CD1 4.31Å; L1375-I1393 HydrophobicContact CG-CG1 4.38Å; L1375-L1402 HydrophobicContact CD2-CD1 4.42Å; L1375-L1402 HydrophobicContact CD2-CD2 4.34Å; L1375-I1430 HydrophobicContact CD1-CD1 3.88Å; L1375-Y1432 HydrophobicContact CD1-CD1 3.69Å; L1375-Y1432 HydrophobicContact CD1-CE1 3.73Å; L1375-Y1432 HydrophobicContact CD1-CG 4.42Å |
| 1376 | Q | 84.2 | Confident | 75.1 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113 | 178.2 | -178.8 | 61.5 | 59.2 | 0 | 0 | 109 | C1341 V1367 T1368 I1378 Q1390 | C1341-Q1376 HydrophobicContact CB-CG 4.47Å; V1367-Q1376 WeakPolarHBondContact CA-O 3.46Å; T1368-Q1376 HydrophobicContact CG2-CB 4.1Å; T1368-Q1376 PolarHBondContact N-O 2.95Å; T1368-Q1376 VanDerWaalsContact N-O 3.11Å; T1368-Q1376 PolarHBondContact O-N 2.83Å; Q1376-I1378 HydrophobicContact CG-CG1 4.33Å; Q1376-Q1390 VanDerWaalsContact OE1-CG 3.28Å |
| 1377 | Q | 82.7 | Confident | 73 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139.8 | 168.4 | -177.3 | 171 | -15.2 | 0 | 0 | 110.1 | C1365 | C1365-Q1377 HydrophobicContact CB-CG 4.2Å; C1365-Q1377 PolarHBondContact SG-NE2 2.77Å; C1365-Q1377 VanDerWaalsContact SG-NE2 3.42Å |
| 1378 | I | 81.9 | Confident | 71.2 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.2 | 176.4 | -58.9 | 172 | 0 | 0 | 0 | 107.2 | V1278 F1339 C1365 L1366 Q1376 | V1278-I1378 HydrophobicContact CB-CD1 3.86Å; V1278-I1378 HydrophobicContact CG1-CD1 4.02Å; V1278-I1378 HydrophobicContact CG2-CD1 3.84Å; F1339-I1378 HydrophobicContact CB-CD1 4.12Å; F1339-I1378 HydrophobicContact CD1-CG2 3.87Å; F1339-I1378 HydrophobicContact CD2-CD1 4.22Å; F1339-I1378 HydrophobicContact CD2-CG2 3.95Å; F1339-I1378 HydrophobicContact CE1-CG2 3.81Å; F1339-I1378 HydrophobicContact CE2-CG2 3.89Å; F1339-I1378 HydrophobicContact CG-CD1 4.23Å; F1339-I1378 HydrophobicContact CG-CG2 3.94Å; F1339-I1378 HydrophobicContact CZ-CG2 3.83Å; C1365-I1378 WeakPolarHBondContact CA-O 3.49Å; L1366-I1378 HydrophobicContact CB-CB 4.34Å; L1366-I1378 PolarHBondContact N-O 2.92Å; L1366-I1378 PolarHBondContact O-N 2.82Å; Q1376-I1378 HydrophobicContact CG-CG1 4.33Å |
| 1379 | D | 77.3 | Confident | 69.7 | Low | 59 Ų | 59 | 48.5 Ų | 48.5 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.8 | 172.4 | -179.7 | -52.5 | 0 | 0 | 0 | 109.2 | A1381 T1382 | D1379-A1381 WeakPolarHBondContact OD1-CA 3.28Å; D1379-A1381 PolarHBondContact OD1-N 2.9Å; D1379-T1382 HydrophobicContact CB-CG2 4.4Å; D1379-T1382 WeakPolarHBondContact CB-OG1 3.27Å; D1379-T1382 PolarHBondContact O-OG1 3.41Å; D1379-T1382 WeakPolarHBondContact OD1-CG2 3.15Å; D1379-T1382 PolarHBondContact OD1-N 2.95Å; D1379-T1382 PolarHBondContact OD1-OG1 2.84Å |
| 1380 | V | 73.8 | Confident | 68.6 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.8 | -174 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | L1280 W1337 W1359 S1364 L1366 | L1280-V1380 HydrophobicContact CD1-CB 4.35Å; L1280-V1380 HydrophobicContact CD1-CG1 3.52Å; L1280-V1380 HydrophobicContact CD1-CG2 3.93Å; W1337-V1380 HydrophobicContact CZ3-CG1 4.17Å; W1359-V1380 HydrophobicContact CH2-CB 4.49Å; W1359-V1380 HydrophobicContact CH2-CG1 4.13Å; W1359-V1380 HydrophobicContact CH2-CG2 3.99Å; W1359-V1380 HydrophobicContact CZ3-CB 4.15Å; W1359-V1380 HydrophobicContact CZ3-CG1 4.22Å; W1359-V1380 HydrophobicContact CZ3-CG2 3.69Å; S1364-V1380 PolarHBondContact O-N 3.29Å; L1366-V1380 HydrophobicContact CB-CG2 4.05Å |
| 1381 | A | 66.8 | Low | 68 | Low | 96 Ų | 96 | 51.2 Ų | 51.2 | 79% | 0.793 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1379 | D1379-A1381 WeakPolarHBondContact OD1-CA 3.28Å; D1379-A1381 PolarHBondContact OD1-N 2.9Å |
| 1382 | T | 58.9 | Low | 67.6 | Low | 83 Ų | 83 | 55.8 Ų | 55.8 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -28.8 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | D1379 Q1384 | D1379-T1382 HydrophobicContact CB-CG2 4.4Å; D1379-T1382 WeakPolarHBondContact CB-OG1 3.27Å; D1379-T1382 PolarHBondContact O-OG1 3.41Å; D1379-T1382 WeakPolarHBondContact OD1-CG2 3.15Å; D1379-T1382 PolarHBondContact OD1-N 2.95Å; D1379-T1382 PolarHBondContact OD1-OG1 2.84Å; T1382-Q1384 PolarHBondContact O-N 2.94Å; T1382-Q1384 VanDerWaalsContact O-N 3.1Å |
| 1383 | G | 52.7 | Low | 67.5 | Low | 34 Ų | 34 | 56.3 Ų | 56.3 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | trans | 65.7 | 5.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1384 | Q | 49.6 | Very low | 66.7 | Low | 123 Ų | 123 | 55.7 Ų | 55.7 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | trans | -99.7 | 131.7 | 179.7 | -64.6 | -165 | 4.4 | 0 | 0 | 110.9 | T1382 N1386 | T1382-Q1384 PolarHBondContact O-N 2.94Å; T1382-Q1384 VanDerWaalsContact O-N 3.1Å; Q1384-N1386 HydrophobicContact CB-CB 4.48Å; Q1384-N1386 PolarHBondContact O-N 2.79Å | ||
| 1385 | S | 48.8 | Very low | 65.6 | Low | 58 Ų | 58 | 55.6 Ų | 55.6 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.6 | 161 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | G1387 L1388 | S1385-G1387 PolarHBondContact O-N 3.09Å; S1385-L1388 WeakPolarHBondContact O-CD1 3.4Å; S1385-L1388 WeakPolarHBondContact O-CG 3.25Å |
| 1386 | N | 42.2 | Very low | 64.6 | Low | 106 Ų | 106 | 60 Ų | 60 | 57% | 0.567 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 13.3 | -162.3 | -59.1 | 9.9 | 0 | 0 | 0 | 114.5 | Q1384 | Q1384-N1386 HydrophobicContact CB-CB 4.48Å; Q1384-N1386 PolarHBondContact O-N 2.79Å |
| 1387 | G | 40.5 | Very low | 64.2 | Low | 56 Ų | 56 | 60.7 Ų | 60.7 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | trans | -98.1 | 24.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1385 S1389 | S1385-G1387 PolarHBondContact O-N 3.09Å; G1387-S1389 PolarHBondContact O-N 2.9Å; G1387-S1389 PolarHBondContact O-OG 2.87Å | ||
| 1388 | L | 48.3 | Very low | 64.4 | Low | 81 Ų | 81 | 66.5 Ų | 66.5 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | trans | -49.9 | 89.7 | -167.3 | -79.9 | 117.7 | 0 | 0 | 0 | 115.3 | S1385 Q1390 | S1385-L1388 WeakPolarHBondContact O-CD1 3.4Å; S1385-L1388 WeakPolarHBondContact O-CG 3.25Å; L1388-Q1390 VanDerWaalsContact C-N 3.34Å; L1388-Q1390 HydrophobicContact CD2-CG 4.09Å; L1388-Q1390 PolarHBondContact O-N 3.36Å | ||
| 1389 | S | 58.2 | Low | 64.6 | Low | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | trans | -86.2 | 74.7 | 164.3 | 24.5 | 0 | 0 | 0 | 0 | 109.2 | G1387 | G1387-S1389 PolarHBondContact O-N 2.9Å; G1387-S1389 PolarHBondContact O-OG 2.87Å | ||
| 1390 | Q | 67.9 | Low | 65 | Low | 43 Ų | 43 | 66.1 Ų | 66.1 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.6 | 173.6 | -73.8 | -176.6 | -7 | 0 | 0 | 110.7 | E1343 Q1376 L1388 N1448 | E1343-Q1390 PolarHBondContact OE1-OE1 2.05Å; Q1376-Q1390 VanDerWaalsContact OE1-CG 3.28Å; L1388-Q1390 VanDerWaalsContact C-N 3.34Å; L1388-Q1390 HydrophobicContact CD2-CG 4.09Å; L1388-Q1390 PolarHBondContact O-N 3.36Å; Q1390-N1448 PolarHBondContact O-ND2 3.05Å |
| 1391 | L | 73.7 | Confident | 65.6 | Low | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.8 | 177.4 | -43.1 | 179.4 | 0 | 0 | 0 | 109.8 | L1374 L1375 L1444 N1448 | L1374-L1391 CarbonylContact C-O 3.38Å; L1374-L1391 WeakPolarHBondContact CA-O 3.48Å; L1375-L1391 HydrophobicContact CB-CB 4.14Å; L1375-L1391 PolarHBondContact N-O 3.13Å; L1375-L1391 PolarHBondContact O-N 3.28Å; L1391-L1444 HydrophobicContact CD1-CD2 3.5Å; L1391-N1448 VanDerWaalsContact CA-OD1 3.31Å; L1391-N1448 WeakPolarHBondContact CA-OD1 3.1Å; L1391-N1448 WeakPolarHBondContact CB-OD1 3.41Å; L1391-N1448 WeakPolarHBondContact CD2-OD1 3.39Å |
| 1392 | K | 76.7 | Confident | 66.7 | Low | 135 Ų | 135 | 61 Ų | 61 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.5 | -177.8 | -169.2 | 175.1 | -179 | 173.4 | 0 | 110.7 | L1374 N1394 | L1374-K1392 HydrophobicContact CD2-CB 4.14Å; L1374-K1392 HydrophobicContact CD2-CG 4.1Å; K1392-N1394 VanDerWaalsContact C-N 3.34Å; K1392-N1394 WeakPolarHBondContact CG-OD1 3.24Å; K1392-N1394 PolarHBondContact O-N 3.17Å |
| 1393 | I | 78.4 | Confident | 68 | Low | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -78.7 | 88.3 | 177.8 | -58.6 | 167.9 | 0 | 0 | 0 | 108 | K1373 L1375 N1395 A1399 Y1432 T1434 | K1373-I1393 WeakPolarHBondContact O-CB 3.42Å; K1373-I1393 WeakPolarHBondContact O-CG1 3.35Å; K1373-I1393 PolarHBondContact O-N 3.1Å; L1375-I1393 HydrophobicContact CD2-CD1 4.41Å; L1375-I1393 HydrophobicContact CG-CD1 4.31Å; L1375-I1393 HydrophobicContact CG-CG1 4.38Å; I1393-N1395 HydrophobicContact CG2-CB 4.36Å; I1393-N1395 PolarHBondContact O-N 3.32Å; I1393-A1399 HydrophobicContact CD1-CB 3.56Å; I1393-Y1432 HydrophobicContact CG1-CE2 4.26Å; I1393-Y1432 HydrophobicContact CG2-CE2 3.87Å; I1393-T1434 HydrophobicContact CG2-CG2 4.46Å | ||
| 1394 | N | 67.4 | Low | 69.2 | Low | 114 Ų | 114 | 57.8 Ų | 57.8 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | trans | -75.3 | -5.9 | 178.2 | -66.3 | -16.3 | 0 | 0 | 0 | 113.4 | K1392 | K1392-N1394 VanDerWaalsContact C-N 3.34Å; K1392-N1394 WeakPolarHBondContact CG-OD1 3.24Å; K1392-N1394 PolarHBondContact O-N 3.17Å | ||
| 1395 | N | 62.7 | Low | 70 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -79.2 | 150.2 | 175.8 | -65.5 | 68.9 | 0 | 0 | 0 | 110.3 | I1393 G1397 Q1438 V1440 | I1393-N1395 HydrophobicContact CG2-CB 4.36Å; I1393-N1395 PolarHBondContact O-N 3.32Å; N1395-G1397 PolarHBondContact O-N 3.1Å; N1395-Q1438 PolarHBondContact ND2-OE1 3.09Å; N1395-V1440 HydrophobicContact CB-CG2 4.46Å |
| 1396 | S | 64.8 | Low | 70.4 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -77.6 | 44.8 | -162 | 58.1 | 0 | 0 | 0 | 0 | 116.5 | S1436 | S1396-S1436 VanDerWaalsContact O-CB 3.26Å; S1396-S1436 WeakPolarHBondContact O-CB 3.45Å; S1396-S1436 PolarHBondContact O-OG 3.37Å |
| 1397 | G | 75.8 | Confident | 70.8 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -171.1 | 164.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1395 T1435 | N1395-G1397 PolarHBondContact O-N 3.1Å; G1397-T1435 WeakPolarHBondContact CA-OG1 3.27Å |
| 1398 | R | 85.4 | Confident | 71 | Confident | 156 Ų | 156 | 45.9 Ų | 45.9 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | trans | -74.8 | 144.3 | 174.7 | -61.9 | -171.8 | -163.1 | -169.2 | 8 | 109.7 | G1372 T1434 T1435 | G1372-R1398 CarbonylContact O-C 3.6Å; G1372-R1398 WeakPolarHBondContact O-CA 3.36Å; G1372-R1398 WeakPolarHBondContact O-CB 2.98Å; R1398-T1434 CarbonylContact O-C 3.57Å; R1398-T1434 WeakPolarHBondContact O-CA 3.27Å; R1398-T1435 HydrophobicContact CB-CG2 4.19Å; R1398-T1435 PolarHBondContact N-OG1 2.95Å; R1398-T1435 PolarHBondContact O-N 2.93Å | ||
| 1399 | A | 87.1 | Confident | 70.9 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 141 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1369 G1372 I1393 Y1432 A1433 | I1369-A1399 HydrophobicContact CD1-CB 3.98Å; I1369-A1399 HydrophobicContact CG1-CB 4.39Å; I1369-A1399 HydrophobicContact CG2-CB 3.8Å; G1372-A1399 PolarHBondContact O-N 3.19Å; I1393-A1399 HydrophobicContact CD1-CB 3.56Å; A1399-Y1432 HydrophobicContact CB-CD2 4.1Å; A1399-A1433 CarbonylContact C-O 3.6Å; A1399-A1433 WeakPolarHBondContact CA-O 3.22Å |
| 1400 | V | 85.7 | Confident | 70.3 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -51.5 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | A1433 T1435 | V1400-A1433 PolarHBondContact N-O 2.86Å; V1400-T1435 HydrophobicContact CG2-CG2 3.48Å; V1400-T1435 VanDerWaalsContact CG2-CG2 3.48Å |
| 1401 | C | 86.5 | Confident | 68.9 | Low | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.5 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | Y1432 A1433 | C1401-Y1432 VanDerWaalsContact O-CA 3.28Å; C1401-Y1432 WeakPolarHBondContact O-CA 3.37Å; C1401-A1433 PolarHBondContact O-N 2.97Å; C1401-A1433 VanDerWaalsContact O-N 3.09Å |
| 1402 | L | 89 | Confident | 67.2 | Low | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.1 | -179.5 | 170.3 | 67.4 | 0 | 0 | 0 | 107.5 | S1356 V1358 V1367 I1369 L1375 I1430 A1431 | S1356-L1402 PolarHBondContact OG-N 3.25Å; S1356-L1402 PolarHBondContact OG-O 2.78Å; S1356-L1402 VanDerWaalsContact OG-O 3.07Å; V1358-L1402 HydrophobicContact CG1-CG 4.09Å; V1358-L1402 WeakPolarHBondContact CG1-O 3.21Å; V1358-L1402 HydrophobicContact CG2-CD1 4.28Å; V1358-L1402 HydrophobicContact CG2-CD2 3.78Å; V1358-L1402 HydrophobicContact CG2-CG 3.76Å; V1367-L1402 HydrophobicContact CB-CD2 4.26Å; V1367-L1402 HydrophobicContact CG1-CD2 3.97Å; I1369-L1402 HydrophobicContact CD1-CB 3.86Å; I1369-L1402 HydrophobicContact CG1-CB 3.84Å; I1369-L1402 HydrophobicContact CG1-CD2 4.12Å; L1375-L1402 HydrophobicContact CD2-CD1 4.42Å; L1375-L1402 HydrophobicContact CD2-CD2 4.34Å; L1402-I1430 HydrophobicContact CD1-CB 4.13Å; L1402-I1430 HydrophobicContact CD1-CD1 4.04Å; L1402-A1431 WeakPolarHBondContact CA-O 3.16Å |
| 1403 | K | 87.1 | Confident | 65.4 | Low | 38 Ų | 38 | 42.8 Ų | 42.8 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.5 | 179.8 | -64.6 | -90.4 | -178 | 161.6 | 0 | 110.3 | A1431 M1468 V1470 D1512 | K1403-A1431 PolarHBondContact N-O 2.76Å; K1403-A1431 PolarHBondContact O-N 3.15Å; K1403-M1468 HydrophobicContact CB-CE 4.26Å; K1403-M1468 WeakPolarHBondContact CD-O 3.33Å; K1403-M1468 WeakPolarHBondContact CE-O 3.16Å; K1403-M1468 HydrophobicContact CG-CB 4.44Å; K1403-M1468 VanDerWaalsContact CG-O 3.32Å; K1403-M1468 WeakPolarHBondContact CG-O 3.22Å; K1403-V1470 HydrophobicContact CB-CG2 4.48Å; K1403-D1512 IonicContact NZ-OD1 3.54Å; K1403-D1512 PolarHBondContact NZ-OD1 3.16Å |
| 1404 | T | 76.7 | Confident | 63.7 | Low | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | trans | -114.3 | -176.3 | 168.9 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | V1358 C1408 | V1358-T1404 HydrophobicContact CB-CG2 4.36Å; T1404-C1408 HydrophobicContact CG2-CB 4.23Å | ||
| 1405 | S | 66.5 | Low | 62.3 | Low | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -56.1 | 141.7 | 171.4 | 143.2 | 0 | 0 | 0 | 0 | 111.4 | C1407 C1408 S1472 H1474 | S1405-C1407 PolarHBondContact O-N 3.37Å; S1405-C1407 PolarHBondContact OG-N 2.76Å; S1405-C1407 PolarHBondContact OG-SG 3.38Å; S1405-C1408 PolarHBondContact O-SG 3.05Å; S1405-S1472 WeakPolarHBondContact CB-O 3.11Å; S1405-S1472 WeakPolarHBondContact OG-CA 3.27Å; S1405-S1472 PolarHBondContact OG-O 2.64Å; S1405-H1474 VanDerWaalsContact CB-CD2 3.45Å; S1405-H1474 WeakPolarHBondContact CB-CD2 3.42Å; S1405-H1474 WeakPolarHBondContact CB-NE2 3.41Å |
| 1406 | T | 57.4 | Low | 61.1 | Low | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -58.6 | -14.9 | -176.3 | 40.5 | 0 | 0 | 0 | 0 | 115.4 | C1408 H1409 A1469 V1470 S1472 I1515 | T1406-C1408 PolarHBondContact O-N 2.67Å; T1406-H1409 PolarHBondContact O-N 3.26Å; T1406-H1409 PolarHBondContact O-ND1 3.33Å; T1406-A1469 HydrophobicContact CG2-CB 4.44Å; T1406-V1470 WeakPolarHBondContact CG2-O 3.29Å; T1406-V1470 PolarHBondContact N-O 2.75Å; T1406-V1470 PolarHBondContact OG1-O 3.47Å; T1406-S1472 PolarHBondContact OG1-N 2.83Å; T1406-S1472 VanDerWaalsContact OG1-N 3.16Å; T1406-I1515 HydrophobicContact CG2-CB 4.23Å; T1406-I1515 HydrophobicContact CG2-CD1 4.21Å; T1406-I1515 HydrophobicContact CG2-CG1 4.49Å |
| 1407 | C | 50.9 | Low | 59.9 | Low | 41 Ų | 41 | 40.7 Ų | 40.7 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -57.5 | -6.5 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 115.7 | S1405 S1472 | S1405-C1407 PolarHBondContact O-N 3.37Å; S1405-C1407 PolarHBondContact OG-N 2.76Å; S1405-C1407 PolarHBondContact OG-SG 3.38Å; C1407-S1472 VanDerWaalsContact SG-CB 3.55Å |
| 1408 | C | 44.4 | Very low | 57.8 | Low | 27 Ų | 27 | 45.9 Ų | 45.9 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -82.8 | -14.5 | -179.5 | 60.1 | 0 | 0 | 0 | 0 | 115.9 | T1404 S1405 T1406 | T1404-C1408 HydrophobicContact CG2-CB 4.23Å; S1405-C1408 PolarHBondContact O-SG 3.05Å; T1406-C1408 PolarHBondContact O-N 2.67Å |
| 1409 | H | 47.1 | Very low | 55.2 | Low | 51 Ų | 51 | 43.2 Ų | 43.2 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.2 | -19.5 | -172 | -59.4 | 88.9 | 0 | 0 | 0 | 114.2 | T1406 | T1406-H1409 PolarHBondContact O-N 3.26Å; T1406-H1409 PolarHBondContact O-ND1 3.33Å |
| 1410 | F | 44.9 | Very low | 52.5 | Low | 26 Ų | 26 | 46.2 Ų | 46.2 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -123.7 | 145.4 | 176.7 | -75 | -74.4 | 0 | 0 | 0 | 111.7 | I1235 L1619 C1620 P1622 V1761 | I1235-F1410 HydrophobicContact CD1-CD1 4.13Å; I1235-F1410 HydrophobicContact CD1-CE1 4.13Å; F1410-L1619 HydrophobicContact CZ-CD1 4.03Å; F1410-C1620 WeakPolarHBondContact CE2-O 3.29Å; F1410-C1620 WeakPolarHBondContact CZ-O 2.57Å; F1410-P1622 HydrophobicContact CD1-CG 4.19Å; F1410-P1622 HydrophobicContact CE1-CG 4.08Å; F1410-P1622 HydrophobicContact CZ-CG 4.46Å; F1410-V1761 HydrophobicContact CE1-CG2 4.37Å |
| 1411 | P | 38.7 | Very low | 49.8 | Very low | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | trans | -53.2 | 145.9 | 166.3 | -20.8 | 30.5 | 0 | 0 | 0 | 110.2 | Q1413 Y1414 Q1763 | P1411-Q1413 PolarHBondContact O-N 3.38Å; P1411-Y1414 HydrophobicContact CB-CD2 4.25Å; P1411-Y1414 HydrophobicContact CG-CD2 4.25Å; P1411-Y1414 PolarHBondContact O-N 3.19Å; P1411-Q1763 HydrophobicContact CG-CB 3.7Å; P1411-Q1763 HydrophobicContact CG-CG 4.42Å | ||
| 1412 | S | 39.1 | Very low | 47 | Very low | 91 Ų | 91 | 54.2 Ų | 54.2 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -8.4 | -175.5 | 57.7 | 0 | 0 | 0 | 0 | 116 | ||
| 1413 | Q | 38.4 | Very low | 44 | Very low | 83 Ų | 83 | 56.9 Ų | 56.9 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.4 | 172.7 | -63.4 | 149 | 68.8 | 0 | 0 | 113.3 | P1411 | P1411-Q1413 PolarHBondContact O-N 3.38Š|
| 1414 | Y | 41.4 | Very low | 41.3 | Very low | 48 Ų | 48 | 58.9 Ų | 58.9 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -120.6 | 9 | -170.4 | -54.7 | -73.2 | 0 | 0 | 0 | 114.4 | I1235 P1411 L1416 Q1763 | I1235-Y1414 HydrophobicContact CD1-CD1 4.05Å; I1235-Y1414 HydrophobicContact CD1-CD2 3.99Å; I1235-Y1414 HydrophobicContact CD1-CE1 4.39Å; I1235-Y1414 HydrophobicContact CD1-CE2 4.33Å; I1235-Y1414 HydrophobicContact CD1-CG 3.84Å; I1235-Y1414 HydrophobicContact CG1-CD1 3.84Å; I1235-Y1414 HydrophobicContact CG1-CD2 4.18Å; I1235-Y1414 HydrophobicContact CG1-CE1 3.7Å; I1235-Y1414 HydrophobicContact CG1-CE2 4.05Å; I1235-Y1414 HydrophobicContact CG1-CG 4.07Å; P1411-Y1414 HydrophobicContact CB-CD2 4.25Å; P1411-Y1414 HydrophobicContact CG-CD2 4.25Å; P1411-Y1414 PolarHBondContact O-N 3.19Å; Y1414-L1416 PolarHBondContact O-N 2.67Å; Y1414-Q1763 PolarHBondContact OH-NE2 2.88Å |
| 1415 | N | 38.7 | Very low | 39.7 | Very low | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | trans | -66.6 | 117 | 165.6 | -83.2 | -34.3 | 0 | 0 | 0 | 108.4 | I1417 | N1415-I1417 CarbonylContact O-C 3.54Å; N1415-I1417 PolarHBondContact O-N 2.7Å | ||
| 1416 | L | 38.1 | Very low | 39.1 | Very low | 62 Ų | 62 | 64 Ų | 64 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -63.8 | -8.2 | 177.7 | -68.3 | 166.6 | 0 | 0 | 0 | 113.3 | Y1414 N1418 H1519 P1622 | Y1414-L1416 PolarHBondContact O-N 2.67Å; L1416-N1418 PolarHBondContact O-N 2.95Å; L1416-H1519 PolarHBondContact O-NE2 3.26Å; L1416-H1519 VanDerWaalsContact O-NE2 3.15Å; L1416-P1622 HydrophobicContact CD1-CB 4.34Å; L1416-P1622 HydrophobicContact CG-CB 4.44Å |
| 1417 | I | 38.3 | Very low | 39.1 | Very low | 48 Ų | 48 | 65.6 Ų | 65.6 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -74.7 | 90.3 | 163.2 | -57.5 | 164.4 | 0 | 0 | 0 | 108.5 | N1415 Q1419 S1472 F1473 E1517 | N1415-I1417 CarbonylContact O-C 3.54Å; N1415-I1417 PolarHBondContact O-N 2.7Å; I1417-Q1419 PolarHBondContact O-N 3Å; I1417-S1472 WeakPolarHBondContact CD1-OG 3.5Å; I1417-F1473 HydrophobicContact CD1-CE2 3.83Å; I1417-F1473 HydrophobicContact CD1-CZ 4.3Å; I1417-F1473 HydrophobicContact CG1-CE2 4.31Å; I1417-F1473 HydrophobicContact CG2-CE2 4.12Å; I1417-F1473 HydrophobicContact CG2-CZ 3.62Å; I1417-E1517 WeakPolarHBondContact CD1-OE2 3.47Å; I1417-E1517 WeakPolarHBondContact CG1-OE2 3.5Å |
| 1418 | N | 31.5 | Very low | 40 | Very low | 131 Ų | 131 | 64.9 Ų | 64.9 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | trans | -74.1 | 87.6 | -171 | -125.5 | -27.4 | 0 | 0 | 0 | 112.7 | L1416 V1420 | L1416-N1418 PolarHBondContact O-N 2.95Å; N1418-V1420 PolarHBondContact O-N 2.79Å | ||
| 1419 | Q | 31.2 | Very low | 41.4 | Very low | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 54.7 | 9.5 | 154.7 | -61 | -176.2 | 4.3 | 0 | 0 | 119.3 | P677 I1417 | P677-Q1419 VanDerWaalsContact CB-O 3.23Å; P677-Q1419 WeakPolarHBondContact CB-O 3.17Å; P677-Q1419 VanDerWaalsContact CG-O 3.22Å; P677-Q1419 WeakPolarHBondContact CG-O 3.49Å; I1417-Q1419 PolarHBondContact O-N 3Å |
| 1420 | V | 30.5 | Very low | 43.2 | Very low | 73 Ų | 73 | 62 Ų | 62 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | trans | -118.8 | 93.7 | 176.1 | -178 | 0 | 0 | 0 | 0 | 110.1 | L622 N1418 | L622-V1420 HydrophobicContact CB-CG1 4.48Å; L622-V1420 HydrophobicContact CB-CG2 4.32Å; L622-V1420 HydrophobicContact CD1-CG1 4.39Å; L622-V1420 HydrophobicContact CD2-CG2 4.48Å; N1418-V1420 PolarHBondContact O-N 2.79Å | ||
| 1421 | M | 29.5 | Very low | 45.3 | Very low | 127 Ų | 127 | 61 Ų | 61 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | trans | 165.6 | 82 | 152.9 | -93.4 | -66.3 | -79.5 | 0 | 0 | 109.6 | G1423 F1473 | M1421-G1423 WeakPolarHBondContact CE-O 3.41Å; M1421-F1473 HydrophobicContact CB-CE1 3.96Å; M1421-F1473 HydrophobicContact CG-CE1 4.31Å | ||
| 1422 | I | 27.8 | Very low | 47.8 | Very low | 104 Ų | 104 | 60.7 Ų | 60.7 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | trans | -87.4 | 107.6 | 162.1 | -67.2 | -165.5 | 0 | 0 | 0 | 108.1 | P677 | P677-I1422 HydrophobicContact CB-CD1 4.17Å; P677-I1422 HydrophobicContact CB-CG1 4.23Å | ||
| 1423 | G | 26 | Very low | 50.3 | Low | 56 Ų | 56 | 56.4 Ų | 56.4 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 123.4 | 109.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1421 | M1421-G1423 WeakPolarHBondContact CE-O 3.41Š|
| 1424 | G | 31.1 | Very low | 52.8 | Low | 80 Ų | 80 | 52.4 Ų | 52.4 | 83% | 0.825 | 31% | 0.312 | S | S | * | . | trans | 161.9 | -43.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1425 | S | 43.1 | Very low | 55.1 | Low | 52 Ų | 52 | 53.4 Ų | 53.4 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -89.7 | 136.4 | -173.3 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | T1427 | S1425-T1427 PolarHBondContact O-N 2.91Š| ||
| 1426 | D | 51.9 | Low | 57.4 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -74.2 | 89.6 | 173.4 | -87 | -44.7 | 0 | 0 | 0 | 110.8 | N1428 S1429 R1445 | D1426-N1428 PolarHBondContact O-N 3.42Å; D1426-S1429 WeakPolarHBondContact O-CB 3.41Å; D1426-S1429 PolarHBondContact O-N 3.35Å; D1426-S1429 PolarHBondContact O-OG 3.11Å; D1426-R1445 IonicContact OD1-CZ 3.35Å; D1426-R1445 IonicContact OD1-NH1 2.72Å; D1426-R1445 IonicContact OD1-NH2 2.72Å; D1426-R1445 PolarHBondContact OD1-NH2 3.18Å | ||
| 1427 | T | 59.2 | Low | 59.8 | Low | 55 Ų | 55 | 48.8 Ų | 48.8 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -8.8 | -173.6 | 52.8 | 0 | 0 | 0 | 0 | 116.2 | S1361 S1425 | S1361-T1427 PolarHBondContact N-O 2.78Å; S1361-T1427 VanDerWaalsContact OG-CA 3.23Å; S1361-T1427 WeakPolarHBondContact OG-CA 3.43Å; S1361-T1427 WeakPolarHBondContact OG-CB 3.44Å; S1361-T1427 PolarHBondContact OG-O 3.08Å; S1361-T1427 VanDerWaalsContact OG-O 3.13Å; S1425-T1427 PolarHBondContact O-N 2.91Å |
| 1428 | N | 68.1 | Low | 62.3 | Low | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 8 | 176.6 | -56.7 | -79.1 | 0 | 0 | 0 | 112.4 | N1362 D1426 D1443 L1444 R1445 | N1362-N1428 PolarHBondContact ND2-OD1 3.29Å; N1362-N1428 VanDerWaalsContact ND2-OD1 3.12Å; D1426-N1428 PolarHBondContact O-N 3.42Å; N1428-D1443 WeakPolarHBondContact CB-OD1 3.06Å; N1428-L1444 HydrophobicContact CB-CB 4.45Å; N1428-L1444 WeakPolarHBondContact O-CB 3.24Å; N1428-L1444 WeakPolarHBondContact O-CG 3.33Å; N1428-L1444 PolarHBondContact O-N 2.71Å; N1428-R1445 HydrophobicContact CB-CG 3.89Å |
| 1429 | S | 75.8 | Confident | 65.1 | Low | 13 Ų | 13 | 42.1 Ų | 42.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134.3 | 173.6 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | D1426 R1442 H1474 | D1426-S1429 WeakPolarHBondContact O-CB 3.41Å; D1426-S1429 PolarHBondContact O-N 3.35Å; D1426-S1429 PolarHBondContact O-OG 3.11Å; S1429-R1442 WeakPolarHBondContact CA-O 3.28Å; S1429-H1474 PolarHBondContact OG-CE1 3.05Å; S1429-H1474 PolarHBondContact OG-ND1 3.23Å; S1429-H1474 VanDerWaalsContact OG-ND1 3.12Å |
| 1430 | I | 84.5 | Confident | 67.9 | Low | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.3 | 173 | 54.9 | 163.3 | 0 | 0 | 0 | 109.7 | V1358 V1367 L1375 L1402 A1441 R1442 L1444 | V1358-I1430 HydrophobicContact CG2-CG2 4.39Å; V1367-I1430 HydrophobicContact CG1-CD1 4.13Å; L1375-I1430 HydrophobicContact CD1-CD1 3.88Å; L1402-I1430 HydrophobicContact CD1-CB 4.13Å; L1402-I1430 HydrophobicContact CD1-CD1 4.04Å; I1430-A1441 VanDerWaalsContact O-CA 3.27Å; I1430-A1441 WeakPolarHBondContact O-CA 3.48Å; I1430-R1442 WeakPolarHBondContact CG1-O 3.03Å; I1430-R1442 PolarHBondContact N-O 3.15Å; I1430-R1442 PolarHBondContact O-N 2.83Å; I1430-L1444 HydrophobicContact CD1-CD2 3.7Å; I1430-L1444 HydrophobicContact CD1-CG 4.32Å; I1430-L1444 HydrophobicContact CG1-CD2 4.06Å; I1430-L1444 HydrophobicContact CG1-CG 4.2Å; I1430-L1444 HydrophobicContact CG2-CD1 4.04Å; I1430-L1444 HydrophobicContact CG2-CG 4.5Å |
| 1431 | A | 89 | Confident | 70.6 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1402 K1403 V1440 W1454 M1468 V1470 | L1402-A1431 WeakPolarHBondContact CA-O 3.16Å; K1403-A1431 PolarHBondContact N-O 2.76Å; K1403-A1431 PolarHBondContact O-N 3.15Å; A1431-V1440 WeakPolarHBondContact CA-O 3.24Å; A1431-W1454 HydrophobicContact CB-CH2 4.15Å; A1431-M1468 HydrophobicContact CB-CE 3.86Å; A1431-M1468 WeakPolarHBondContact O-CE 3.46Å; A1431-V1470 HydrophobicContact CB-CG2 4.02Å |
| 1432 | Y | 90.8 | Very high | 73.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140 | 174.3 | 62.8 | -90 | 0 | 0 | 0 | 111.7 | L1375 I1393 A1399 C1401 T1434 V1440 R1442 | L1375-Y1432 HydrophobicContact CD1-CD1 3.69Å; L1375-Y1432 HydrophobicContact CD1-CE1 3.73Å; L1375-Y1432 HydrophobicContact CD1-CG 4.42Å; I1393-Y1432 HydrophobicContact CG1-CE2 4.26Å; I1393-Y1432 HydrophobicContact CG2-CE2 3.87Å; A1399-Y1432 HydrophobicContact CB-CD2 4.1Å; C1401-Y1432 VanDerWaalsContact O-CA 3.28Å; C1401-Y1432 WeakPolarHBondContact O-CA 3.37Å; Y1432-T1434 HydrophobicContact CD2-CG2 4.12Å; Y1432-T1434 HydrophobicContact CE2-CG2 4.08Å; Y1432-V1440 HydrophobicContact CD1-CB 4.38Å; Y1432-V1440 WeakPolarHBondContact CD1-O 3.32Å; Y1432-V1440 HydrophobicContact CD2-CB 4.24Å; Y1432-V1440 HydrophobicContact CE1-CB 3.92Å; Y1432-V1440 HydrophobicContact CE1-CG1 3.97Å; Y1432-V1440 HydrophobicContact CE2-CB 3.75Å; Y1432-V1440 HydrophobicContact CE2-CG1 4.33Å; Y1432-V1440 HydrophobicContact CE2-CG2 3.96Å; Y1432-V1440 PolarHBondContact N-O 3.1Å; Y1432-V1440 PolarHBondContact O-N 3.1Å; Y1432-V1440 WeakPolarHBondContact OH-CG1 3.36Å; Y1432-R1442 HydrophobicContact CE1-CG 4.19Å; Y1432-R1442 PolarHBondContact OH-NE 3.44Å |
| 1433 | A | 91.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1399 V1400 C1401 Q1438 I1465 | A1399-A1433 CarbonylContact C-O 3.6Å; A1399-A1433 WeakPolarHBondContact CA-O 3.22Å; V1400-A1433 PolarHBondContact N-O 2.86Å; C1401-A1433 PolarHBondContact O-N 2.97Å; C1401-A1433 VanDerWaalsContact O-N 3.09Å; A1433-Q1438 CarbonylContact C-O 3.51Å; A1433-Q1438 WeakPolarHBondContact CA-O 3.28Å; A1433-I1465 HydrophobicContact CB-CB 4.18Å; A1433-I1465 HydrophobicContact CB-CD1 4.15Å; A1433-I1465 HydrophobicContact CB-CG2 3.69Å |
| 1434 | T | 90.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 158 | 179.5 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | I1393 R1398 Y1432 S1436 N1437 Q1438 | I1393-T1434 HydrophobicContact CG2-CG2 4.46Å; R1398-T1434 CarbonylContact O-C 3.57Å; R1398-T1434 WeakPolarHBondContact O-CA 3.27Å; Y1432-T1434 HydrophobicContact CD2-CG2 4.12Å; Y1432-T1434 HydrophobicContact CE2-CG2 4.08Å; T1434-S1436 PolarHBondContact O-N 3.28Å; T1434-S1436 PolarHBondContact OG1-N 3.26Å; T1434-S1436 PolarHBondContact OG1-OG 2.67Å; T1434-N1437 PolarHBondContact O-N 3.04Å; T1434-Q1438 PolarHBondContact N-O 2.9Å; T1434-Q1438 PolarHBondContact OG1-N 3.35Å; T1434-Q1438 PolarHBondContact OG1-O 3.38Å |
| 1435 | T | 89.3 | Confident | 80.1 | Confident | 69 Ų | 69 | 26.1 Ų | 26.1 | 42% | 0.423 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -5.1 | 168.9 | 61.7 | 0 | 0 | 0 | 0 | 114 | G1397 R1398 V1400 | G1397-T1435 WeakPolarHBondContact CA-OG1 3.27Å; R1398-T1435 HydrophobicContact CB-CG2 4.19Å; R1398-T1435 PolarHBondContact N-OG1 2.95Å; R1398-T1435 PolarHBondContact O-N 2.93Å; V1400-T1435 HydrophobicContact CG2-CG2 3.48Å; V1400-T1435 VanDerWaalsContact CG2-CG2 3.48Å |
| 1436 | S | 87.7 | Confident | 81.7 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.4 | 172.6 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | S1396 T1434 Q1438 | S1396-S1436 VanDerWaalsContact O-CB 3.26Å; S1396-S1436 WeakPolarHBondContact O-CB 3.45Å; S1396-S1436 PolarHBondContact O-OG 3.37Å; T1434-S1436 PolarHBondContact O-N 3.28Å; T1434-S1436 PolarHBondContact OG1-N 3.26Å; T1434-S1436 PolarHBondContact OG1-OG 2.67Å; S1436-Q1438 VanDerWaalsContact C-N 3.3Å |
| 1437 | N | 88.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 60.3 | 33.8 | -172.4 | -79 | 16 | 0 | 0 | 0 | 113.3 | T1434 Q1458 D1459 G1463 I1465 | T1434-N1437 PolarHBondContact O-N 3.04Å; N1437-Q1458 HydrophobicContact CB-CB 4.16Å; N1437-Q1458 WeakPolarHBondContact CB-O 3.29Å; N1437-Q1458 PolarHBondContact O-N 3.29Å; N1437-D1459 PolarHBondContact ND2-O 3.49Å; N1437-G1463 PolarHBondContact ND2-O 2.89Å; N1437-I1465 PolarHBondContact OD1-N 3.19Å |
| 1438 | Q | 90.2 | Very high | 83.1 | Confident | 39 Ų | 39 | 27.8 Ų | 27.8 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.4 | 167 | -62.2 | -178 | 13 | 0 | 0 | 110 | N1395 A1433 T1434 S1436 V1440 I1455 L1456 | N1395-Q1438 PolarHBondContact ND2-OE1 3.09Å; A1433-Q1438 CarbonylContact C-O 3.51Å; A1433-Q1438 WeakPolarHBondContact CA-O 3.28Å; T1434-Q1438 PolarHBondContact N-O 2.9Å; T1434-Q1438 PolarHBondContact OG1-N 3.35Å; T1434-Q1438 PolarHBondContact OG1-O 3.38Å; S1436-Q1438 VanDerWaalsContact C-N 3.3Å; Q1438-V1440 HydrophobicContact CB-CG2 4.3Å; Q1438-I1455 HydrophobicContact CB-CG2 4.29Å; Q1438-I1455 HydrophobicContact CG-CG2 4.48Å; Q1438-L1456 CarbonylContact C-O 3.59Å; Q1438-L1456 VanDerWaalsContact CA-O 3.29Å; Q1438-L1456 WeakPolarHBondContact CA-O 3.47Å |
| 1439 | I | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.8 | 171 | -42.7 | 167.6 | 0 | 0 | 0 | 106.4 | W1454 I1455 L1456 I1465 M1468 L1477 T1479 | I1439-W1454 HydrophobicContact CB-CZ3 4.34Å; I1439-W1454 HydrophobicContact CG2-CH2 4.34Å; I1439-W1454 HydrophobicContact CG2-CZ3 3.95Å; I1439-I1455 CarbonylContact O-C 3.59Å; I1439-I1455 WeakPolarHBondContact O-CA 3.46Å; I1439-L1456 HydrophobicContact CB-CB 4.14Å; I1439-L1456 HydrophobicContact CB-CD1 4.43Å; I1439-L1456 HydrophobicContact CD1-CB 4.33Å; I1439-L1456 HydrophobicContact CD1-CD1 4.17Å; I1439-L1456 HydrophobicContact CG1-CB 4.47Å; I1439-L1456 PolarHBondContact N-O 3.17Å; I1439-L1456 PolarHBondContact O-N 3.25Å; I1439-I1465 HydrophobicContact CD1-CD1 4.16Å; I1439-I1465 HydrophobicContact CG1-CD1 3.72Å; I1439-M1468 HydrophobicContact CG2-CE 4.36Å; I1439-M1468 HydrophobicContact CG2-SD 3.52Å; I1439-M1468 VanDerWaalsContact CG2-SD 3.52Å; I1439-L1477 HydrophobicContact CD1-CD1 4.12Å; I1439-L1477 HydrophobicContact CG2-CD2 4.12Å; I1439-T1479 HydrophobicContact CD1-CG2 3.6Å; I1439-T1479 HydrophobicContact CG1-CG2 4.4Å |
| 1440 | V | 89.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.8 | -170.3 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | N1395 A1431 Y1432 Q1438 P1452 I1455 | N1395-V1440 HydrophobicContact CB-CG2 4.46Å; A1431-V1440 WeakPolarHBondContact CA-O 3.24Å; Y1432-V1440 HydrophobicContact CD1-CB 4.38Å; Y1432-V1440 WeakPolarHBondContact CD1-O 3.32Å; Y1432-V1440 HydrophobicContact CD2-CB 4.24Å; Y1432-V1440 HydrophobicContact CE1-CB 3.92Å; Y1432-V1440 HydrophobicContact CE1-CG1 3.97Å; Y1432-V1440 HydrophobicContact CE2-CB 3.75Å; Y1432-V1440 HydrophobicContact CE2-CG1 4.33Å; Y1432-V1440 HydrophobicContact CE2-CG2 3.96Å; Y1432-V1440 PolarHBondContact N-O 3.1Å; Y1432-V1440 PolarHBondContact O-N 3.1Å; Y1432-V1440 WeakPolarHBondContact OH-CG1 3.36Å; Q1438-V1440 HydrophobicContact CB-CG2 4.3Å; V1440-P1452 HydrophobicContact CG1-CB 3.54Å; V1440-P1452 HydrophobicContact CG1-CG 3.95Å; V1440-I1455 HydrophobicContact CG1-CG1 4.2Å; V1440-I1455 HydrophobicContact CG2-CG1 4.34Å; V1440-I1455 HydrophobicContact CG2-CG2 4.35Å |
| 1441 | A | 87.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1430 P1452 V1453 W1454 | I1430-A1441 VanDerWaalsContact O-CA 3.27Å; I1430-A1441 WeakPolarHBondContact O-CA 3.48Å; A1441-P1452 CarbonylContact O-C 3.3Å; A1441-P1452 WeakPolarHBondContact O-CA 3.06Å; A1441-P1452 WeakPolarHBondContact O-CB 3.15Å; A1441-V1453 HydrophobicContact CB-CB 4.26Å; A1441-V1453 PolarHBondContact O-N 2.95Å; A1441-W1454 HydrophobicContact CB-CD2 3.52Å; A1441-W1454 HydrophobicContact CB-CE3 3.86Å; A1441-W1454 HydrophobicContact CB-CG 4.12Å; A1441-W1454 HydrophobicContact CB-CH2 3.8Å; A1441-W1454 HydrophobicContact CB-CZ2 3.45Å; A1441-W1454 VanDerWaalsContact CB-CZ2 3.45Å; A1441-W1454 HydrophobicContact CB-CZ3 3.99Å; A1441-W1454 PolarHBondContact N-O 2.89Å |
| 1442 | R | 82.2 | Confident | 82.8 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.2 | 168.9 | -74.1 | -174.7 | 175.7 | -89 | 0.6 | 109.6 | S1429 I1430 Y1432 P1452 | S1429-R1442 WeakPolarHBondContact CA-O 3.28Å; I1430-R1442 WeakPolarHBondContact CG1-O 3.03Å; I1430-R1442 PolarHBondContact N-O 3.15Å; I1430-R1442 PolarHBondContact O-N 2.83Å; Y1432-R1442 HydrophobicContact CE1-CG 4.19Å; Y1432-R1442 PolarHBondContact OH-NE 3.44Å; R1442-P1452 HydrophobicContact CG-CB 4.03Å |
| 1443 | D | 80.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.107 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.8 | 165 | 177.3 | 3.8 | 0 | 0 | 0 | 108.4 | N1428 R1445 V1446 V1453 | N1428-D1443 WeakPolarHBondContact CB-OD1 3.06Å; D1443-R1445 VanDerWaalsContact CG-NE 3.3Å; D1443-R1445 PolarHBondContact O-N 3.3Å; D1443-R1445 WeakPolarHBondContact OD1-CB 3.28Å; D1443-R1445 WeakPolarHBondContact OD1-CG 3.45Å; D1443-R1445 IonicContact OD1-CZ 2.71Å; D1443-R1445 PolarHBondContact OD1-N 3.12Å; D1443-R1445 IonicContact OD1-NE 3.95Å; D1443-R1445 PolarHBondContact OD1-NE 3.23Å; D1443-R1445 IonicContact OD1-NH2 3.59Å; D1443-R1445 IonicContact OD2-CZ 3.44Å; D1443-R1445 IonicContact OD2-NE 3.51Å; D1443-R1445 PolarHBondContact OD2-NE 3.25Å; D1443-R1445 IonicContact OD2-NH2 3.58Å; D1443-R1445 PolarHBondContact OD2-NH2 3.25Å; D1443-V1446 HydrophobicContact CB-CB 4.49Å; D1443-V1446 HydrophobicContact CB-CG2 3.88Å; D1443-V1446 PolarHBondContact O-N 2.95Å; D1443-V1453 HydrophobicContact CB-CG2 3.84Å |
| 1444 | L | 76 | Confident | 82.2 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.6 | -179.2 | -62.3 | 171.5 | 0 | 0 | 0 | 113.2 | T1360 V1367 L1391 N1428 I1430 V1446 | T1360-L1444 HydrophobicContact CG2-CD1 3.32Å; V1367-L1444 HydrophobicContact CG2-CD1 3.95Å; L1391-L1444 HydrophobicContact CD1-CD2 3.5Å; N1428-L1444 HydrophobicContact CB-CB 4.45Å; N1428-L1444 WeakPolarHBondContact O-CB 3.24Å; N1428-L1444 WeakPolarHBondContact O-CG 3.33Å; N1428-L1444 PolarHBondContact O-N 2.71Å; I1430-L1444 HydrophobicContact CD1-CD2 3.7Å; I1430-L1444 HydrophobicContact CD1-CG 4.32Å; I1430-L1444 HydrophobicContact CG1-CD2 4.06Å; I1430-L1444 HydrophobicContact CG1-CG 4.2Å; I1430-L1444 HydrophobicContact CG2-CD1 4.04Å; I1430-L1444 HydrophobicContact CG2-CG 4.5Å; L1444-V1446 VanDerWaalsContact C-N 3.27Å |
| 1445 | R | 74.2 | Confident | 82.1 | Confident | 134 Ų | 134 | 47.8 Ų | 47.8 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.7 | 171.3 | -60.9 | 171.9 | -66.9 | -164.8 | 2.8 | 112.7 | D1426 N1428 D1443 | D1426-R1445 IonicContact OD1-CZ 3.35Å; D1426-R1445 IonicContact OD1-NH1 2.72Å; D1426-R1445 IonicContact OD1-NH2 2.72Å; D1426-R1445 PolarHBondContact OD1-NH2 3.18Å; N1428-R1445 HydrophobicContact CB-CG 3.89Å; D1443-R1445 VanDerWaalsContact CG-NE 3.3Å; D1443-R1445 PolarHBondContact O-N 3.3Å; D1443-R1445 WeakPolarHBondContact OD1-CB 3.28Å; D1443-R1445 WeakPolarHBondContact OD1-CG 3.45Å; D1443-R1445 IonicContact OD1-CZ 2.71Å; D1443-R1445 PolarHBondContact OD1-N 3.12Å; D1443-R1445 IonicContact OD1-NE 3.95Å; D1443-R1445 PolarHBondContact OD1-NE 3.23Å; D1443-R1445 IonicContact OD1-NH2 3.59Å; D1443-R1445 IonicContact OD2-CZ 3.44Å; D1443-R1445 IonicContact OD2-NE 3.51Å; D1443-R1445 PolarHBondContact OD2-NE 3.25Å; D1443-R1445 IonicContact OD2-NH2 3.58Å; D1443-R1445 PolarHBondContact OD2-NH2 3.25Å |
| 1446 | V | 75.9 | Confident | 82.2 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -101.9 | 131.1 | -168.8 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | D1443 L1444 S1450 | D1443-V1446 HydrophobicContact CB-CB 4.49Å; D1443-V1446 HydrophobicContact CB-CG2 3.88Å; D1443-V1446 PolarHBondContact O-N 2.95Å; L1444-V1446 VanDerWaalsContact C-N 3.27Å; V1446-S1450 WeakPolarHBondContact CG1-OG 3.37Å |
| 1447 | P | 72.4 | Confident | 82.3 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | trans | -55.8 | 146.9 | 179.9 | -27.8 | 35.9 | 0 | 0 | 0 | 114.5 | S1449 S1450 | P1447-S1449 PolarHBondContact O-N 3.23Å; P1447-S1450 WeakPolarHBondContact O-CB 3.48Å; P1447-S1450 PolarHBondContact O-N 2.85Å; P1447-S1450 PolarHBondContact O-OG 2.96Å | ||
| 1448 | N | 68.3 | Low | 82.4 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -31.3 | 177.1 | -95 | -39.3 | 0 | 0 | 0 | 115.1 | Q1390 L1391 S1450 | Q1390-N1448 PolarHBondContact O-ND2 3.05Å; L1391-N1448 VanDerWaalsContact CA-OD1 3.31Å; L1391-N1448 WeakPolarHBondContact CA-OD1 3.1Å; L1391-N1448 WeakPolarHBondContact CB-OD1 3.41Å; L1391-N1448 WeakPolarHBondContact CD2-OD1 3.39Å; N1448-S1450 VanDerWaalsContact C-N 3.27Å; N1448-S1450 PolarHBondContact O-N 3.23Å |
| 1449 | S | 72.7 | Confident | 82.3 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 80% | 0.804 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.3 | -179.7 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | P1447 | P1447-S1449 PolarHBondContact O-N 3.23Š|
| 1450 | S | 79.1 | Confident | 82 | Confident | 49 Ų | 49 | 63 Ų | 63 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -80.2 | 157.7 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | V1446 P1447 N1448 | V1446-S1450 WeakPolarHBondContact CG1-OG 3.37Å; P1447-S1450 WeakPolarHBondContact O-CB 3.48Å; P1447-S1450 PolarHBondContact O-N 2.85Å; P1447-S1450 PolarHBondContact O-OG 2.96Å; N1448-S1450 VanDerWaalsContact C-N 3.27Å; N1448-S1450 PolarHBondContact O-N 3.23Å |
| 1451 | S | 79.6 | Confident | 81.7 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 141.9 | 171.2 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1452 | P | 81.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 67 Ų | 67 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 152.6 | 166.1 | 26 | -34 | 0 | 0 | 0 | 111.2 | V1440 A1441 R1442 W1454 I1455 | V1440-P1452 HydrophobicContact CG1-CB 3.54Å; V1440-P1452 HydrophobicContact CG1-CG 3.95Å; A1441-P1452 CarbonylContact O-C 3.3Å; A1441-P1452 WeakPolarHBondContact O-CA 3.06Å; A1441-P1452 WeakPolarHBondContact O-CB 3.15Å; R1442-P1452 HydrophobicContact CG-CB 4.03Å; P1452-W1454 VanDerWaalsContact C-N 3.26Å; P1452-W1454 PolarHBondContact O-N 3.12Å; P1452-I1455 HydrophobicContact CB-CG1 4.47Å; P1452-I1455 HydrophobicContact CG-CD1 3.73Å; P1452-I1455 HydrophobicContact CG-CG1 3.66Å |
| 1453 | V | 83.1 | Confident | 81.8 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -57.5 | -42.5 | -175.8 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | A1441 D1443 | A1441-V1453 HydrophobicContact CB-CB 4.26Å; A1441-V1453 PolarHBondContact O-N 2.95Å; D1443-V1453 HydrophobicContact CB-CG2 3.84Å |
| 1454 | W | 85.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 13% | 0.125 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159 | 167.4 | 45.5 | -105.2 | 0 | 0 | 0 | 111.6 | A1431 I1439 A1441 P1452 L1456 L1477 L1491 K1494 | A1431-W1454 HydrophobicContact CB-CH2 4.15Å; I1439-W1454 HydrophobicContact CB-CZ3 4.34Å; I1439-W1454 HydrophobicContact CG2-CH2 4.34Å; I1439-W1454 HydrophobicContact CG2-CZ3 3.95Å; A1441-W1454 HydrophobicContact CB-CD2 3.52Å; A1441-W1454 HydrophobicContact CB-CE3 3.86Å; A1441-W1454 HydrophobicContact CB-CG 4.12Å; A1441-W1454 HydrophobicContact CB-CH2 3.8Å; A1441-W1454 HydrophobicContact CB-CZ2 3.45Å; A1441-W1454 VanDerWaalsContact CB-CZ2 3.45Å; A1441-W1454 HydrophobicContact CB-CZ3 3.99Å; A1441-W1454 PolarHBondContact N-O 2.89Å; P1452-W1454 VanDerWaalsContact C-N 3.26Å; P1452-W1454 PolarHBondContact O-N 3.12Å; W1454-L1456 HydrophobicContact CE3-CD1 4.24Å; W1454-L1456 HydrophobicContact CE3-CD2 4.4Å; W1454-L1456 HydrophobicContact CE3-CG 3.81Å; W1454-L1456 HydrophobicContact CZ3-CD1 3.93Å; W1454-L1456 HydrophobicContact CZ3-CG 3.93Å; W1454-L1477 HydrophobicContact CH2-CD2 3.66Å; W1454-L1477 HydrophobicContact CZ2-CD2 4.44Å; W1454-L1477 HydrophobicContact CZ3-CD2 4.4Å; W1454-L1491 HydrophobicContact CD2-CD2 4.39Å; W1454-L1491 HydrophobicContact CE3-CD2 4.49Å; W1454-L1491 HydrophobicContact CH2-CD1 4.36Å; W1454-L1491 HydrophobicContact CH2-CD2 3.6Å; W1454-L1491 HydrophobicContact CZ2-CD1 3.67Å; W1454-L1491 HydrophobicContact CZ2-CD2 3.44Å; W1454-L1491 VanDerWaalsContact CZ2-CD2 3.44Å; W1454-L1491 HydrophobicContact CZ2-CG 4.05Å; W1454-L1491 HydrophobicContact CZ3-CD2 4.13Å; W1454-K1494 HydrophobicContact CB-CD 4.14Å |
| 1455 | I | 88.7 | Confident | 83 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 40% | 0.395 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | 168.4 | -57.8 | 166.6 | 0 | 0 | 0 | 106.4 | Q1438 I1439 V1440 P1452 | Q1438-I1455 HydrophobicContact CB-CG2 4.29Å; Q1438-I1455 HydrophobicContact CG-CG2 4.48Å; I1439-I1455 CarbonylContact O-C 3.59Å; I1439-I1455 WeakPolarHBondContact O-CA 3.46Å; V1440-I1455 HydrophobicContact CG1-CG1 4.2Å; V1440-I1455 HydrophobicContact CG2-CG1 4.34Å; V1440-I1455 HydrophobicContact CG2-CG2 4.35Å; P1452-I1455 HydrophobicContact CB-CG1 4.47Å; P1452-I1455 HydrophobicContact CG-CD1 3.73Å; P1452-I1455 HydrophobicContact CG-CG1 3.66Å |
| 1456 | L | 91 | Very high | 83.8 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149 | 165.9 | -48.1 | 175.2 | 0 | 0 | 0 | 108 | Q1438 I1439 W1454 W1489 L1491 K1494 | Q1438-L1456 CarbonylContact C-O 3.59Å; Q1438-L1456 VanDerWaalsContact CA-O 3.29Å; Q1438-L1456 WeakPolarHBondContact CA-O 3.47Å; I1439-L1456 HydrophobicContact CB-CB 4.14Å; I1439-L1456 HydrophobicContact CB-CD1 4.43Å; I1439-L1456 HydrophobicContact CD1-CB 4.33Å; I1439-L1456 HydrophobicContact CD1-CD1 4.17Å; I1439-L1456 HydrophobicContact CG1-CB 4.47Å; I1439-L1456 PolarHBondContact N-O 3.17Å; I1439-L1456 PolarHBondContact O-N 3.25Å; W1454-L1456 HydrophobicContact CE3-CD1 4.24Å; W1454-L1456 HydrophobicContact CE3-CD2 4.4Å; W1454-L1456 HydrophobicContact CE3-CG 3.81Å; W1454-L1456 HydrophobicContact CZ3-CD1 3.93Å; W1454-L1456 HydrophobicContact CZ3-CG 3.93Å; L1456-W1489 HydrophobicContact CB-CE3 4.15Å; L1456-W1489 HydrophobicContact CB-CH2 4.39Å; L1456-W1489 HydrophobicContact CB-CZ3 4.08Å; L1456-W1489 HydrophobicContact CD1-CB 3.93Å; L1456-W1489 HydrophobicContact CD1-CD2 3.86Å; L1456-W1489 HydrophobicContact CD1-CE3 3.85Å; L1456-W1489 HydrophobicContact CD1-CG 3.94Å; L1456-W1489 HydrophobicContact CD2-CE3 4.26Å; L1456-W1489 HydrophobicContact CG-CE3 4.31Å; L1456-L1491 HydrophobicContact CD1-CD2 3.72Å; L1456-K1494 HydrophobicContact CD2-CB 3.59Å; L1456-K1494 HydrophobicContact CD2-CG 3.99Å |
| 1457 | K | 90.9 | Very high | 84.5 | Confident | 167 Ų | 167 | 61.8 Ų | 61.8 | 73% | 0.726 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 105.9 | 175.7 | -178.6 | -169.1 | 171.7 | -166.2 | 0 | 108.5 | W1489 | K1457-W1489 WeakPolarHBondContact O-CH2 3.3Å |
| 1458 | Q | 90.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | trans | -76.3 | 147.4 | 172.5 | -171.6 | 171.9 | -58.3 | 0 | 0 | 110.1 | N1437 I1465 T1479 T1481 I1487 W1489 | N1437-Q1458 HydrophobicContact CB-CB 4.16Å; N1437-Q1458 WeakPolarHBondContact CB-O 3.29Å; N1437-Q1458 PolarHBondContact O-N 3.29Å; Q1458-I1465 HydrophobicContact CB-CD1 4.15Å; Q1458-T1479 PolarHBondContact OE1-OG1 2.86Å; Q1458-T1479 VanDerWaalsContact OE1-OG1 3.06Å; Q1458-T1481 VanDerWaalsContact NE2-CG2 3.25Å; Q1458-I1487 HydrophobicContact CG-CD1 4.01Å; Q1458-I1487 VanDerWaalsContact NE2-CD1 3.32Å; Q1458-W1489 HydrophobicContact CB-CZ2 3.74Å; Q1458-W1489 HydrophobicContact CG-CZ2 4.08Å | ||
| 1459 | D | 87 | Confident | 86.4 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | trans | -67.5 | 152.6 | 172.2 | -165.4 | 8.7 | 0 | 0 | 0 | 111 | N1437 S1461 | N1437-D1459 PolarHBondContact ND2-O 3.49Å; D1459-S1461 WeakPolarHBondContact CB-OG 3.27Å; D1459-S1461 PolarHBondContact OD1-N 3.46Å; D1459-S1461 VanDerWaalsContact OD2-CB 3.28Å; D1459-S1461 WeakPolarHBondContact OD2-CB 3.47Å; D1459-S1461 PolarHBondContact OD2-OG 2.88Å | ||
| 1460 | R | 85.5 | Confident | 87 | Confident | 171 Ų | 171 | 49.6 Ų | 49.6 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -84.6 | -16.4 | 176.1 | -65 | 180 | 178.1 | 179.7 | -2.1 | 112.2 | H1462 G1463 R1483 | R1460-H1462 PolarHBondContact O-N 3.1Å; R1460-G1463 PolarHBondContact O-N 3.38Å; R1460-G1463 VanDerWaalsContact O-N 3.13Å; R1460-R1483 PolarHBondContact O-NH1 2.82Å |
| 1461 | S | 84.4 | Confident | 87.1 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 40% | 0.399 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.8 | 168.2 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | D1459 G1463 R1483 | D1459-S1461 WeakPolarHBondContact CB-OG 3.27Å; D1459-S1461 PolarHBondContact OD1-N 3.46Å; D1459-S1461 VanDerWaalsContact OD2-CB 3.28Å; D1459-S1461 WeakPolarHBondContact OD2-CB 3.47Å; D1459-S1461 PolarHBondContact OD2-OG 2.88Å; S1461-G1463 PolarHBondContact O-N 3.49Å; S1461-G1463 VanDerWaalsContact O-N 3.11Å; S1461-R1483 PolarHBondContact O-NH1 3.14Å |
| 1462 | H | 84.8 | Confident | 86.5 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -3 | -179.4 | -54.5 | 172.2 | 0 | 0 | 0 | 114.4 | R1460 T1481 H1485 I1487 | R1460-H1462 PolarHBondContact O-N 3.1Å; H1462-T1481 VanDerWaalsContact O-CB 3.27Å; H1462-T1481 WeakPolarHBondContact O-CB 3.2Å; H1462-T1481 PolarHBondContact O-OG1 3.16Å; H1462-H1485 WeakPolarHBondContact CA-ND1 3.4Å; H1462-H1485 HydrophobicContact CB-CB 4.34Å; H1462-H1485 PolarHBondContact O-ND1 2.79Å; H1462-I1487 HydrophobicContact CB-CD1 3.75Å; H1462-I1487 WeakPolarHBondContact ND1-CD1 3.39Å |
| 1463 | G | 87.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | 87.7 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1437 R1460 S1461 | N1437-G1463 PolarHBondContact ND2-O 2.89Å; R1460-G1463 PolarHBondContact O-N 3.38Å; R1460-G1463 VanDerWaalsContact O-N 3.13Å; S1461-G1463 PolarHBondContact O-N 3.49Å; S1461-G1463 VanDerWaalsContact O-N 3.11Å | ||
| 1464 | L | 89.6 | Confident | 85.1 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | trans | -76 | 140 | -179.8 | -68.1 | 171.2 | 0 | 0 | 0 | 110.4 | L1466 T1481 S1482 | L1464-L1466 PolarHBondContact O-N 2.82Å; L1464-T1481 CarbonylContact O-C 3.59Å; L1464-T1481 WeakPolarHBondContact O-CA 3.44Å; L1464-T1481 WeakPolarHBondContact O-CB 3.25Å; L1464-S1482 PolarHBondContact N-OG 3.49Å; L1464-S1482 PolarHBondContact O-N 3.26Å | ||
| 1465 | I | 92.2 | Very high | 84.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.3 | 168.9 | -57.1 | 168.9 | 0 | 0 | 0 | 108.3 | A1433 N1437 I1439 Q1458 T1479 | A1433-I1465 HydrophobicContact CB-CB 4.18Å; A1433-I1465 HydrophobicContact CB-CD1 4.15Å; A1433-I1465 HydrophobicContact CB-CG2 3.69Å; N1437-I1465 PolarHBondContact OD1-N 3.19Å; I1439-I1465 HydrophobicContact CD1-CD1 4.16Å; I1439-I1465 HydrophobicContact CG1-CD1 3.72Å; Q1458-I1465 HydrophobicContact CB-CD1 4.15Å; I1465-T1479 HydrophobicContact CD1-CG2 4.37Å; I1465-T1479 HydrophobicContact CG2-CG2 3.92Å |
| 1466 | L | 90.8 | Very high | 84.5 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -45.3 | 176.3 | -61.9 | -176.6 | 0 | 0 | 0 | 110.7 | L1464 G1480 I1510 L1511 | L1464-L1466 PolarHBondContact O-N 2.82Å; L1466-G1480 PolarHBondContact N-O 3.46Å; L1466-I1510 WeakPolarHBondContact CB-O 3.27Å; L1466-L1511 HydrophobicContact CD1-CD2 4.01Å |
| 1467 | S | 90.7 | Very high | 84.5 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 160.3 | -174.1 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | T1479 G1480 I1510 L1511 L1513 | S1467-T1479 WeakPolarHBondContact O-CA 3.49Å; S1467-G1480 PolarHBondContact N-O 2.98Å; S1467-G1480 VanDerWaalsContact N-O 3.15Å; S1467-G1480 PolarHBondContact O-N 3.13Å; S1467-G1480 WeakPolarHBondContact OG-CA 3.01Å; S1467-I1510 WeakPolarHBondContact CB-O 3.28Å; S1467-I1510 PolarHBondContact OG-O 3.04Å; S1467-L1511 WeakPolarHBondContact CB-O 3.36Å; S1467-L1513 WeakPolarHBondContact OG-CD1 3.04Å |
| 1468 | M | 92 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 149.1 | -180 | -176.9 | 167.9 | 62.8 | 0 | 0 | 109.6 | K1403 A1431 I1439 V1470 L1477 V1478 T1479 | K1403-M1468 HydrophobicContact CB-CE 4.26Å; K1403-M1468 WeakPolarHBondContact CD-O 3.33Å; K1403-M1468 WeakPolarHBondContact CE-O 3.16Å; K1403-M1468 HydrophobicContact CG-CB 4.44Å; K1403-M1468 VanDerWaalsContact CG-O 3.32Å; K1403-M1468 WeakPolarHBondContact CG-O 3.22Å; A1431-M1468 HydrophobicContact CB-CE 3.86Å; A1431-M1468 WeakPolarHBondContact O-CE 3.46Å; I1439-M1468 HydrophobicContact CG2-CE 4.36Å; I1439-M1468 HydrophobicContact CG2-SD 3.52Å; I1439-M1468 VanDerWaalsContact CG2-SD 3.52Å; M1468-V1470 HydrophobicContact CG-CG2 4.49Å; M1468-L1477 HydrophobicContact CG-CD1 4.45Å; M1468-L1477 HydrophobicContact SD-CD1 4.41Å; M1468-L1477 HydrophobicContact SD-CD2 3.94Å; M1468-V1478 CarbonylContact C-O 3.54Å; M1468-V1478 VanDerWaalsContact CA-O 3.27Å; M1468-V1478 WeakPolarHBondContact CA-O 3.22Å; M1468-V1478 WeakPolarHBondContact CG-O 3.4Å; M1468-T1479 HydrophobicContact CB-CG2 4.25Å; M1468-T1479 HydrophobicContact CG-CG2 4.03Å; M1468-T1479 HydrophobicContact SD-CG2 4.22Å |
| 1469 | A | 88.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1406 L1477 V1478 L1513 I1515 | T1406-A1469 HydrophobicContact CG2-CB 4.44Å; A1469-L1477 CarbonylContact O-C 3.58Å; A1469-L1477 VanDerWaalsContact O-CA 3.32Å; A1469-L1477 WeakPolarHBondContact O-CA 3.26Å; A1469-L1477 VanDerWaalsContact O-CB 3.31Å; A1469-L1477 WeakPolarHBondContact O-CB 3.3Å; A1469-V1478 HydrophobicContact CB-CG1 3.98Å; A1469-V1478 PolarHBondContact N-O 2.9Å; A1469-V1478 PolarHBondContact O-N 3.43Å; A1469-L1513 HydrophobicContact CB-CB 3.98Å; A1469-I1515 HydrophobicContact CB-CD1 3.78Å; A1469-I1515 HydrophobicContact CB-CG1 3.85Å |
| 1470 | V | 85.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.9 | -179.4 | -178 | 0 | 0 | 0 | 0 | 108.7 | K1403 T1406 A1431 M1468 L1477 L1491 | K1403-V1470 HydrophobicContact CB-CG2 4.48Å; T1406-V1470 WeakPolarHBondContact CG2-O 3.29Å; T1406-V1470 PolarHBondContact N-O 2.75Å; T1406-V1470 PolarHBondContact OG1-O 3.47Å; A1431-V1470 HydrophobicContact CB-CG2 4.02Å; M1468-V1470 HydrophobicContact CG-CG2 4.49Å; V1470-L1477 HydrophobicContact CB-CB 4.29Å; V1470-L1477 HydrophobicContact CG1-CB 4.43Å; V1470-L1477 HydrophobicContact CG2-CB 4.02Å; V1470-L1477 HydrophobicContact CG2-CD2 4.12Å; V1470-L1491 HydrophobicContact CG1-CD1 4.33Å |
| 1471 | H | 80.3 | Confident | 85.1 | Confident | 20 Ų | 20 | 22.8 Ų | 22.8 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | trans | -52.2 | 148.2 | -178.5 | -176.8 | -134.2 | 0 | 0 | 0 | 112.3 | F1473 H1474 T1475 W1476 E1517 | H1471-F1473 AromaticContact CE1-CD2 3.62Å; H1471-F1473 PolarHBondContact O-N 3.02Å; H1471-F1473 VanDerWaalsContact O-N 3.09Å; H1471-H1474 PolarHBondContact O-N 3.31Å; H1471-T1475 PolarHBondContact ND1-OG1 3.27Å; H1471-W1476 HydrophobicContact CB-CD2 3.9Å; H1471-W1476 HydrophobicContact CB-CG 3.95Å; H1471-W1476 HydrophobicContact CB-CZ2 4.13Å; H1471-W1476 WeakPolarHBondContact CB-O 3.42Å; H1471-W1476 AromaticContact CD2-CE2 3.5Å; H1471-W1476 VanDerWaalsContact CD2-CE2 3.5Å; H1471-W1476 AromaticContact CD2-CZ2 3.55Å; H1471-W1476 AromaticContact CD2-NE1 3.21Å; H1471-W1476 PolarHBondContact CD2-NE1 2.89Å; H1471-W1476 AromaticContact CE1-CD1 3.91Å; H1471-W1476 AromaticContact CE1-NE1 3.39Å; H1471-W1476 PolarHBondContact CE1-NE1 2.59Å; H1471-W1476 AromaticContact CG-CD1 3.6Å; H1471-W1476 AromaticContact CG-CE2 3.54Å; H1471-W1476 AromaticContact CG-NE1 3.11Å; H1471-W1476 PolarHBondContact N-O 3.47Å; H1471-W1476 AromaticContact ND1-CD1 3.45Å; H1471-W1476 AromaticContact ND1-NE1 3.24Å; H1471-W1476 PolarHBondContact ND1-NE1 2.99Å; H1471-W1476 AromaticContact NE2-NE1 3.36Å; H1471-W1476 PolarHBondContact NE2-NE1 3.39Å; H1471-E1517 IonicContact CD2-OE1 2.85Å; H1471-E1517 IonicContact NE2-OE1 2.57Å | ||
| 1472 | S | 66.1 | Low | 85.4 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -43.6 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 113 | S1405 T1406 C1407 I1417 E1517 | S1405-S1472 WeakPolarHBondContact CB-O 3.11Å; S1405-S1472 WeakPolarHBondContact OG-CA 3.27Å; S1405-S1472 PolarHBondContact OG-O 2.64Å; T1406-S1472 PolarHBondContact OG1-N 2.83Å; T1406-S1472 VanDerWaalsContact OG1-N 3.16Å; C1407-S1472 VanDerWaalsContact SG-CB 3.55Å; I1417-S1472 WeakPolarHBondContact CD1-OG 3.5Å; S1472-E1517 WeakPolarHBondContact CB-OE1 3.49Å; S1472-E1517 PolarHBondContact OG-OE1 3.24Å |
| 1473 | F | 64.2 | Low | 85.5 | Confident | 75 Ų | 75 | 26.4 Ų | 26.4 | 33% | 0.329 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6.7 | -179.7 | -63.9 | -85.2 | 0 | 0 | 0 | 115.9 | I1417 M1421 H1471 T1475 | I1417-F1473 HydrophobicContact CD1-CE2 3.83Å; I1417-F1473 HydrophobicContact CD1-CZ 4.3Å; I1417-F1473 HydrophobicContact CG1-CE2 4.31Å; I1417-F1473 HydrophobicContact CG2-CE2 4.12Å; I1417-F1473 HydrophobicContact CG2-CZ 3.62Å; M1421-F1473 HydrophobicContact CB-CE1 3.96Å; M1421-F1473 HydrophobicContact CG-CE1 4.31Å; H1471-F1473 AromaticContact CE1-CD2 3.62Å; H1471-F1473 PolarHBondContact O-N 3.02Å; H1471-F1473 VanDerWaalsContact O-N 3.09Å; F1473-T1475 HydrophobicContact CB-CG2 4.16Å; F1473-T1475 PolarHBondContact O-N 3.17Å; F1473-T1475 VanDerWaalsContact O-N 3.16Å |
| 1474 | H | 71.3 | Confident | 85.4 | Confident | 35 Ų | 35 | 26 Ų | 26 | 16% | 0.162 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 56.2 | 20.2 | -173.5 | -62.2 | -116.7 | 0 | 0 | 0 | 115.2 | S1405 S1429 H1471 L1491 | S1405-H1474 VanDerWaalsContact CB-CD2 3.45Å; S1405-H1474 WeakPolarHBondContact CB-CD2 3.42Å; S1405-H1474 WeakPolarHBondContact CB-NE2 3.41Å; S1429-H1474 PolarHBondContact OG-CE1 3.05Å; S1429-H1474 PolarHBondContact OG-ND1 3.23Å; S1429-H1474 VanDerWaalsContact OG-ND1 3.12Å; H1471-H1474 PolarHBondContact O-N 3.31Å; H1474-L1491 VanDerWaalsContact O-CD1 3.31Å; H1474-L1491 WeakPolarHBondContact O-CD1 3.45Å |
| 1475 | T | 77 | Confident | 85.4 | Confident | 72 Ų | 72 | 22.7 Ų | 22.7 | 44% | 0.442 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -84.1 | -33.2 | -179.2 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | H1471 F1473 L1491 | H1471-T1475 PolarHBondContact ND1-OG1 3.27Å; F1473-T1475 HydrophobicContact CB-CG2 4.16Å; F1473-T1475 PolarHBondContact O-N 3.17Å; F1473-T1475 VanDerWaalsContact O-N 3.16Å; T1475-L1491 WeakPolarHBondContact O-CB 3.35Å; T1475-L1491 PolarHBondContact O-N 2.93Å |
| 1476 | W | 85.4 | Confident | 85.2 | Confident | 23 Ų | 23 | 22.6 Ų | 22.6 | 9% | 0.087 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 168.5 | 175.9 | 64.3 | -88 | 0 | 0 | 0 | 110.9 | H1471 V1478 W1489 I1497 I1515 T1542 L1559 | H1471-W1476 HydrophobicContact CB-CD2 3.9Å; H1471-W1476 HydrophobicContact CB-CG 3.95Å; H1471-W1476 HydrophobicContact CB-CZ2 4.13Å; H1471-W1476 WeakPolarHBondContact CB-O 3.42Å; H1471-W1476 AromaticContact CD2-CE2 3.5Å; H1471-W1476 VanDerWaalsContact CD2-CE2 3.5Å; H1471-W1476 AromaticContact CD2-CZ2 3.55Å; H1471-W1476 AromaticContact CD2-NE1 3.21Å; H1471-W1476 PolarHBondContact CD2-NE1 2.89Å; H1471-W1476 AromaticContact CE1-CD1 3.91Å; H1471-W1476 AromaticContact CE1-NE1 3.39Å; H1471-W1476 PolarHBondContact CE1-NE1 2.59Å; H1471-W1476 AromaticContact CG-CD1 3.6Å; H1471-W1476 AromaticContact CG-CE2 3.54Å; H1471-W1476 AromaticContact CG-NE1 3.11Å; H1471-W1476 PolarHBondContact N-O 3.47Å; H1471-W1476 AromaticContact ND1-CD1 3.45Å; H1471-W1476 AromaticContact ND1-NE1 3.24Å; H1471-W1476 PolarHBondContact ND1-NE1 2.99Å; H1471-W1476 AromaticContact NE2-NE1 3.36Å; H1471-W1476 PolarHBondContact NE2-NE1 3.39Å; W1476-V1478 HydrophobicContact CZ3-CB 4.19Å; W1476-V1478 HydrophobicContact CZ3-CG1 4.23Å; W1476-W1489 CarbonylContact C-O 3.59Å; W1476-W1489 WeakPolarHBondContact CA-O 3.26Å; W1476-W1489 VanDerWaalsContact CB-O 3.23Å; W1476-W1489 WeakPolarHBondContact CB-O 3.45Å; W1476-I1497 HydrophobicContact CB-CD1 4.46Å; W1476-I1515 HydrophobicContact CH2-CB 4.39Å; W1476-I1515 HydrophobicContact CH2-CD1 3.5Å; W1476-I1515 HydrophobicContact CH2-CG1 3.75Å; W1476-I1515 HydrophobicContact CH2-CG2 3.71Å; W1476-I1515 HydrophobicContact CZ2-CD1 4.11Å; W1476-I1515 HydrophobicContact CZ2-CG2 3.87Å; W1476-I1515 HydrophobicContact CZ3-CD1 3.81Å; W1476-I1515 HydrophobicContact CZ3-CG1 4.27Å; W1476-T1542 HydrophobicContact CH2-CG2 3.66Å; W1476-T1542 HydrophobicContact CZ2-CG2 3.37Å; W1476-L1559 HydrophobicContact CD2-CD2 4.43Å; W1476-L1559 HydrophobicContact CE3-CD2 4.48Å; W1476-L1559 HydrophobicContact CH2-CD2 4.08Å; W1476-L1559 HydrophobicContact CZ2-CD2 4.02Å; W1476-L1559 HydrophobicContact CZ3-CD2 4.31Å |
| 1477 | L | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.7 | 168.8 | 65.1 | 75.5 | 0 | 0 | 0 | 111.2 | I1439 W1454 M1468 A1469 V1470 T1479 C1488 W1489 L1491 | I1439-L1477 HydrophobicContact CD1-CD1 4.12Å; I1439-L1477 HydrophobicContact CG2-CD2 4.12Å; W1454-L1477 HydrophobicContact CH2-CD2 3.66Å; W1454-L1477 HydrophobicContact CZ2-CD2 4.44Å; W1454-L1477 HydrophobicContact CZ3-CD2 4.4Å; M1468-L1477 HydrophobicContact CG-CD1 4.45Å; M1468-L1477 HydrophobicContact SD-CD1 4.41Å; M1468-L1477 HydrophobicContact SD-CD2 3.94Å; A1469-L1477 CarbonylContact O-C 3.58Å; A1469-L1477 VanDerWaalsContact O-CA 3.32Å; A1469-L1477 WeakPolarHBondContact O-CA 3.26Å; A1469-L1477 VanDerWaalsContact O-CB 3.31Å; A1469-L1477 WeakPolarHBondContact O-CB 3.3Å; V1470-L1477 HydrophobicContact CB-CB 4.29Å; V1470-L1477 HydrophobicContact CG1-CB 4.43Å; V1470-L1477 HydrophobicContact CG2-CB 4.02Å; V1470-L1477 HydrophobicContact CG2-CD2 4.12Å; L1477-T1479 HydrophobicContact CD1-CG2 3.98Å; L1477-C1488 CarbonylContact O-C 3.59Å; L1477-C1488 WeakPolarHBondContact O-CA 3.42Å; L1477-W1489 HydrophobicContact CD1-CB 3.94Å; L1477-W1489 HydrophobicContact CD1-CG 4.05Å; L1477-W1489 HydrophobicContact CG-CB 4.21Å; L1477-W1489 PolarHBondContact N-O 2.93Å; L1477-W1489 PolarHBondContact O-N 2.59Å; L1477-L1491 HydrophobicContact CB-CD1 4.45Å; L1477-L1491 HydrophobicContact CD2-CD1 4.29Å; L1477-L1491 HydrophobicContact CD2-CD2 3.75Å; L1477-L1491 HydrophobicContact CG-CD1 4.43Å; L1477-L1491 HydrophobicContact CG-CD2 3.88Å; L1477-L1491 HydrophobicContact CG-CG 4.43Å |
| 1478 | V | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.7 | 168.4 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | M1468 A1469 W1476 L1486 I1487 L1513 I1515 I1544 | M1468-V1478 CarbonylContact C-O 3.54Å; M1468-V1478 VanDerWaalsContact CA-O 3.27Å; M1468-V1478 WeakPolarHBondContact CA-O 3.22Å; M1468-V1478 WeakPolarHBondContact CG-O 3.4Å; A1469-V1478 HydrophobicContact CB-CG1 3.98Å; A1469-V1478 PolarHBondContact N-O 2.9Å; A1469-V1478 PolarHBondContact O-N 3.43Å; W1476-V1478 HydrophobicContact CZ3-CB 4.19Å; W1476-V1478 HydrophobicContact CZ3-CG1 4.23Å; V1478-L1486 HydrophobicContact CG2-CB 4.42Å; V1478-L1486 HydrophobicContact CG2-CD2 4.15Å; V1478-I1487 CarbonylContact C-O 3.5Å; V1478-I1487 WeakPolarHBondContact CA-O 3.16Å; V1478-L1513 HydrophobicContact CG1-CD1 4.3Å; V1478-L1513 HydrophobicContact CG2-CD1 4.33Å; V1478-I1515 HydrophobicContact CG1-CD1 4.25Å; V1478-I1515 HydrophobicContact CG1-CG1 4.14Å; V1478-I1544 HydrophobicContact CB-CD1 4.47Å; V1478-I1544 HydrophobicContact CG1-CG2 4.16Å; V1478-I1544 HydrophobicContact CG2-CD1 4.25Å; V1478-I1544 HydrophobicContact CG2-CG2 4.19Å |
| 1479 | T | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.9 | 175.4 | 38.1 | 0 | 0 | 0 | 0 | 110.6 | I1439 Q1458 I1465 S1467 M1468 L1477 L1486 I1487 W1489 | I1439-T1479 HydrophobicContact CD1-CG2 3.6Å; I1439-T1479 HydrophobicContact CG1-CG2 4.4Å; Q1458-T1479 PolarHBondContact OE1-OG1 2.86Å; Q1458-T1479 VanDerWaalsContact OE1-OG1 3.06Å; I1465-T1479 HydrophobicContact CD1-CG2 4.37Å; I1465-T1479 HydrophobicContact CG2-CG2 3.92Å; S1467-T1479 WeakPolarHBondContact O-CA 3.49Å; M1468-T1479 HydrophobicContact CB-CG2 4.25Å; M1468-T1479 HydrophobicContact CG-CG2 4.03Å; M1468-T1479 HydrophobicContact SD-CG2 4.22Å; L1477-T1479 HydrophobicContact CD1-CG2 3.98Å; T1479-L1486 WeakPolarHBondContact O-CA 3.2Å; T1479-I1487 PolarHBondContact N-O 2.82Å; T1479-I1487 PolarHBondContact O-N 3.03Å; T1479-I1487 PolarHBondContact OG1-O 3.48Å; T1479-W1489 PolarHBondContact OG1-NE1 2.8Å |
| 1480 | G | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1466 S1467 L1513 | L1466-G1480 PolarHBondContact N-O 3.46Å; S1467-G1480 PolarHBondContact N-O 2.98Å; S1467-G1480 VanDerWaalsContact N-O 3.15Å; S1467-G1480 PolarHBondContact O-N 3.13Å; S1467-G1480 WeakPolarHBondContact OG-CA 3.01Å; G1480-L1513 VanDerWaalsContact N-CD1 3.28Å |
| 1481 | T | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 163.9 | -166.5 | 61.3 | 0 | 0 | 0 | 0 | 114 | Q1458 H1462 L1464 R1483 G1484 H1485 I1487 G1509 I1510 | Q1458-T1481 VanDerWaalsContact NE2-CG2 3.25Å; H1462-T1481 VanDerWaalsContact O-CB 3.27Å; H1462-T1481 WeakPolarHBondContact O-CB 3.2Å; H1462-T1481 PolarHBondContact O-OG1 3.16Å; L1464-T1481 CarbonylContact O-C 3.59Å; L1464-T1481 WeakPolarHBondContact O-CA 3.44Å; L1464-T1481 WeakPolarHBondContact O-CB 3.25Å; T1481-R1483 PolarHBondContact O-N 2.82Å; T1481-G1484 PolarHBondContact O-N 2.35Å; T1481-H1485 HydrophobicContact CG2-CB 4.29Å; T1481-H1485 PolarHBondContact N-O 2.99Å; T1481-H1485 VanDerWaalsContact N-O 3.15Å; T1481-H1485 WeakPolarHBondContact OG1-CA 3.3Å; T1481-H1485 WeakPolarHBondContact OG1-CB 3.48Å; T1481-H1485 PolarHBondContact OG1-N 2.82Å; T1481-H1485 PolarHBondContact OG1-O 3.07Å; T1481-I1487 HydrophobicContact CG2-CD1 3.93Å; T1481-G1509 WeakPolarHBondContact O-CA 3.35Å; T1481-I1510 PolarHBondContact O-N 2.91Å; T1481-I1510 VanDerWaalsContact O-N 3.08Å |
| 1482 | S | 89.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 16.5 | 172.3 | 79.2 | 0 | 0 | 0 | 0 | 114.7 | L1464 | L1464-S1482 PolarHBondContact N-OG 3.49Å; L1464-S1482 PolarHBondContact O-N 3.26Å |
| 1483 | R | 87.4 | Confident | 86 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 44% | 0.442 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136 | 2.3 | 176.1 | -74.8 | -173.9 | 169.7 | 147.4 | 0.2 | 112.9 | R1460 S1461 T1481 I1508 | R1460-R1483 PolarHBondContact O-NH1 2.82Å; S1461-R1483 PolarHBondContact O-NH1 3.14Å; T1481-R1483 PolarHBondContact O-N 2.82Å; R1483-I1508 CarbonylContact C-O 3.32Å |
| 1484 | G | 85.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 91.3 | 3.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1481 H1502 I1508 | T1481-G1484 PolarHBondContact O-N 2.35Å; G1484-H1502 WeakPolarHBondContact O-CB 2.88Å; G1484-H1502 PolarHBondContact O-N 2.63Å; G1484-I1508 WeakPolarHBondContact CA-O 3.45Å; G1484-I1508 PolarHBondContact N-O 3.24Å |
| 1485 | H | 88.5 | Confident | 87.8 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.3 | 172.1 | -49.6 | 93.2 | 0 | 0 | 0 | 110.8 | H1462 T1481 I1487 T1500 E1501 | H1462-H1485 WeakPolarHBondContact CA-ND1 3.4Å; H1462-H1485 HydrophobicContact CB-CB 4.34Å; H1462-H1485 PolarHBondContact O-ND1 2.79Å; T1481-H1485 HydrophobicContact CG2-CB 4.29Å; T1481-H1485 PolarHBondContact N-O 2.99Å; T1481-H1485 VanDerWaalsContact N-O 3.15Å; T1481-H1485 WeakPolarHBondContact OG1-CA 3.3Å; T1481-H1485 WeakPolarHBondContact OG1-CB 3.48Å; T1481-H1485 PolarHBondContact OG1-N 2.82Å; T1481-H1485 PolarHBondContact OG1-O 3.07Å; H1485-I1487 HydrophobicContact CB-CD1 4.05Å; H1485-I1487 HydrophobicContact CB-CG1 4.12Å; H1485-T1500 CarbonylContact C-O 3.57Å; H1485-T1500 VanDerWaalsContact CA-O 3.23Å; H1485-T1500 WeakPolarHBondContact CA-O 3.49Å; H1485-E1501 IonicContact NE2-OE2 2.96Å |
| 1486 | L | 88.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.4 | 157.6 | -69.1 | 171.9 | 0 | 0 | 0 | 107.9 | V1478 T1479 Y1499 T1500 I1510 L1513 I1544 A1546 W1557 | V1478-L1486 HydrophobicContact CG2-CB 4.42Å; V1478-L1486 HydrophobicContact CG2-CD2 4.15Å; T1479-L1486 WeakPolarHBondContact O-CA 3.2Å; L1486-Y1499 CarbonylContact O-C 3.54Å; L1486-Y1499 VanDerWaalsContact O-CA 3.31Å; L1486-Y1499 WeakPolarHBondContact O-CA 3.32Å; L1486-T1500 PolarHBondContact N-O 2.87Å; L1486-T1500 PolarHBondContact O-N 2.72Å; L1486-I1510 HydrophobicContact CD2-CD1 3.63Å; L1486-I1510 HydrophobicContact CD2-CG2 4.49Å; L1486-I1510 HydrophobicContact CG-CD1 3.78Å; L1486-L1513 HydrophobicContact CD2-CD1 4.35Å; L1486-L1513 HydrophobicContact CD2-CD2 3.61Å; L1486-I1544 HydrophobicContact CD1-CG2 4.24Å; L1486-I1544 HydrophobicContact CD2-CG2 4.17Å; L1486-A1546 HydrophobicContact CD2-CB 4.36Å; L1486-W1557 HydrophobicContact CD1-CB 4.21Å; L1486-W1557 HydrophobicContact CD1-CD2 3.53Å; L1486-W1557 HydrophobicContact CD1-CE3 4.14Å; L1486-W1557 HydrophobicContact CD1-CG 3.51Å; L1486-W1557 HydrophobicContact CD1-CZ2 4.46Å |
| 1487 | I | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119 | -179.2 | -56.2 | 143.7 | 0 | 0 | 0 | 109 | Q1458 H1462 V1478 T1479 T1481 H1485 W1489 Q1496 | Q1458-I1487 HydrophobicContact CG-CD1 4.01Å; Q1458-I1487 VanDerWaalsContact NE2-CD1 3.32Å; H1462-I1487 HydrophobicContact CB-CD1 3.75Å; H1462-I1487 WeakPolarHBondContact ND1-CD1 3.39Å; V1478-I1487 CarbonylContact C-O 3.5Å; V1478-I1487 WeakPolarHBondContact CA-O 3.16Å; T1479-I1487 PolarHBondContact N-O 2.82Å; T1479-I1487 PolarHBondContact O-N 3.03Å; T1479-I1487 PolarHBondContact OG1-O 3.48Å; T1481-I1487 HydrophobicContact CG2-CD1 3.93Å; H1485-I1487 HydrophobicContact CB-CD1 4.05Å; H1485-I1487 HydrophobicContact CB-CG1 4.12Å; I1487-W1489 HydrophobicContact CG2-CZ2 4.48Å; I1487-Q1496 HydrophobicContact CG2-CB 4.48Å; I1487-Q1496 HydrophobicContact CG2-CG 3.8Å |
| 1488 | C | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.8 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | L1477 Q1496 I1497 A1498 L1559 | L1477-C1488 CarbonylContact O-C 3.59Å; L1477-C1488 WeakPolarHBondContact O-CA 3.42Å; C1488-Q1496 CarbonylContact O-C 3.45Å; C1488-Q1496 WeakPolarHBondContact O-CA 3.49Å; C1488-I1497 HydrophobicContact CB-CD1 4.27Å; C1488-I1497 HydrophobicContact CB-CG1 3.81Å; C1488-I1497 WeakPolarHBondContact O-CG1 3.23Å; C1488-I1497 PolarHBondContact O-N 3.07Å; C1488-A1498 HydrophobicContact CB-CB 4.12Å; C1488-A1498 PolarHBondContact N-O 2.87Å; C1488-L1559 HydrophobicContact CB-CD1 3.9Å; C1488-L1559 VanDerWaalsContact SG-CD1 3.55Å |
| 1489 | W | 90.6 | Very high | 87.3 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.4 | -173.7 | -67.1 | 86.7 | 0 | 0 | 0 | 110.8 | L1456 K1457 Q1458 W1476 L1477 T1479 I1487 R1495 Q1496 | L1456-W1489 HydrophobicContact CB-CE3 4.15Å; L1456-W1489 HydrophobicContact CB-CH2 4.39Å; L1456-W1489 HydrophobicContact CB-CZ3 4.08Å; L1456-W1489 HydrophobicContact CD1-CB 3.93Å; L1456-W1489 HydrophobicContact CD1-CD2 3.86Å; L1456-W1489 HydrophobicContact CD1-CE3 3.85Å; L1456-W1489 HydrophobicContact CD1-CG 3.94Å; L1456-W1489 HydrophobicContact CD2-CE3 4.26Å; L1456-W1489 HydrophobicContact CG-CE3 4.31Å; K1457-W1489 WeakPolarHBondContact O-CH2 3.3Å; Q1458-W1489 HydrophobicContact CB-CZ2 3.74Å; Q1458-W1489 HydrophobicContact CG-CZ2 4.08Å; W1476-W1489 CarbonylContact C-O 3.59Å; W1476-W1489 WeakPolarHBondContact CA-O 3.26Å; W1476-W1489 VanDerWaalsContact CB-O 3.23Å; W1476-W1489 WeakPolarHBondContact CB-O 3.45Å; L1477-W1489 HydrophobicContact CD1-CB 3.94Å; L1477-W1489 HydrophobicContact CD1-CG 4.05Å; L1477-W1489 HydrophobicContact CG-CB 4.21Å; L1477-W1489 PolarHBondContact N-O 2.93Å; L1477-W1489 PolarHBondContact O-N 2.59Å; T1479-W1489 PolarHBondContact OG1-NE1 2.8Å; I1487-W1489 HydrophobicContact CG2-CZ2 4.48Å; W1489-R1495 CarbonylContact C-O 3.43Å; W1489-R1495 VanDerWaalsContact CA-O 3.32Å; W1489-R1495 WeakPolarHBondContact CA-O 3.15Å; W1489-Q1496 HydrophobicContact CD2-CG 3.81Å; W1489-Q1496 HydrophobicContact CE3-CG 3.74Å; W1489-Q1496 HydrophobicContact CH2-CG 3.62Å; W1489-Q1496 HydrophobicContact CZ2-CG 3.69Å; W1489-Q1496 HydrophobicContact CZ3-CG 3.66Å |
| 1490 | D | 88 | Confident | 86.7 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.6 | 163 | 178.8 | -62.5 | 0 | 0 | 0 | 109.3 | R1492 Y1493 K1494 R1495 I1497 | D1490-R1492 WeakPolarHBondContact OD1-CA 3.34Å; D1490-R1492 WeakPolarHBondContact OD1-CB 3.21Å; D1490-R1492 PolarHBondContact OD1-N 2.89Å; D1490-Y1493 WeakPolarHBondContact OD1-CD2 3.14Å; D1490-Y1493 PolarHBondContact OD1-N 2.87Å; D1490-K1494 WeakPolarHBondContact O-CA 3.36Å; D1490-K1494 PolarHBondContact O-N 2.86Å; D1490-R1495 PolarHBondContact N-O 3.31Å; D1490-R1495 PolarHBondContact O-N 3.29Å; D1490-I1497 HydrophobicContact CB-CG2 3.67Å |
| 1491 | L | 85.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -20.1 | -174.3 | -63.2 | 178.8 | 0 | 0 | 0 | 113.6 | W1454 L1456 V1470 H1474 T1475 L1477 | W1454-L1491 HydrophobicContact CD2-CD2 4.39Å; W1454-L1491 HydrophobicContact CE3-CD2 4.49Å; W1454-L1491 HydrophobicContact CH2-CD1 4.36Å; W1454-L1491 HydrophobicContact CH2-CD2 3.6Å; W1454-L1491 HydrophobicContact CZ2-CD1 3.67Å; W1454-L1491 HydrophobicContact CZ2-CD2 3.44Å; W1454-L1491 VanDerWaalsContact CZ2-CD2 3.44Å; W1454-L1491 HydrophobicContact CZ2-CG 4.05Å; W1454-L1491 HydrophobicContact CZ3-CD2 4.13Å; L1456-L1491 HydrophobicContact CD1-CD2 3.72Å; V1470-L1491 HydrophobicContact CG1-CD1 4.33Å; H1474-L1491 VanDerWaalsContact O-CD1 3.31Å; H1474-L1491 WeakPolarHBondContact O-CD1 3.45Å; T1475-L1491 WeakPolarHBondContact O-CB 3.35Å; T1475-L1491 PolarHBondContact O-N 2.93Å; L1477-L1491 HydrophobicContact CB-CD1 4.45Å; L1477-L1491 HydrophobicContact CD2-CD1 4.29Å; L1477-L1491 HydrophobicContact CD2-CD2 3.75Å; L1477-L1491 HydrophobicContact CG-CD1 4.43Å; L1477-L1491 HydrophobicContact CG-CD2 3.88Å; L1477-L1491 HydrophobicContact CG-CG 4.43Å |
| 1492 | R | 82.3 | Confident | 85.5 | Confident | 203 Ų | 203 | 57.5 Ų | 57.5 | 77% | 0.766 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -47.4 | 178.2 | -178.9 | -179.7 | -179.1 | 171.7 | 0.5 | 110.9 | D1490 | D1490-R1492 WeakPolarHBondContact OD1-CA 3.34Å; D1490-R1492 WeakPolarHBondContact OD1-CB 3.21Å; D1490-R1492 PolarHBondContact OD1-N 2.89Å |
| 1493 | Y | 83.9 | Confident | 84.5 | Confident | 150 Ų | 150 | 57.2 Ų | 57.2 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.1 | 178.5 | -60.3 | -66.2 | 0 | 0 | 0 | 113.4 | D1490 R1495 | D1490-Y1493 WeakPolarHBondContact OD1-CD2 3.14Å; D1490-Y1493 PolarHBondContact OD1-N 2.87Å; Y1493-R1495 VanDerWaalsContact C-N 3.31Å; Y1493-R1495 PolarHBondContact O-N 2.97Å |
| 1494 | K | 87.1 | Confident | 83.6 | Confident | 106 Ų | 106 | 52 Ų | 52 | 46% | 0.461 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 39.6 | 178.3 | -53.8 | -179.6 | -171 | -178.5 | 0 | 112.3 | W1454 L1456 D1490 | W1454-K1494 HydrophobicContact CB-CD 4.14Å; L1456-K1494 HydrophobicContact CD2-CB 3.59Å; L1456-K1494 HydrophobicContact CD2-CG 3.99Å; D1490-K1494 WeakPolarHBondContact O-CA 3.36Å; D1490-K1494 PolarHBondContact O-N 2.86Å |
| 1495 | R | 85.9 | Confident | 82.4 | Confident | 184 Ų | 184 | 57.8 Ų | 57.8 | 69% | 0.694 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.4 | -174.4 | -76.7 | -177.1 | 173.3 | -154.4 | -3 | 111.4 | W1489 D1490 Y1493 | W1489-R1495 CarbonylContact C-O 3.43Å; W1489-R1495 VanDerWaalsContact CA-O 3.32Å; W1489-R1495 WeakPolarHBondContact CA-O 3.15Å; D1490-R1495 PolarHBondContact N-O 3.31Å; D1490-R1495 PolarHBondContact O-N 3.29Å; Y1493-R1495 VanDerWaalsContact C-N 3.31Å; Y1493-R1495 PolarHBondContact O-N 2.97Å |
| 1496 | Q | 85.8 | Confident | 81 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.8 | 163.9 | -65.6 | 172.5 | -17.5 | 0 | 0 | 108.6 | I1487 C1488 W1489 | I1487-Q1496 HydrophobicContact CG2-CB 4.48Å; I1487-Q1496 HydrophobicContact CG2-CG 3.8Å; C1488-Q1496 CarbonylContact O-C 3.45Å; C1488-Q1496 WeakPolarHBondContact O-CA 3.49Å; W1489-Q1496 HydrophobicContact CD2-CG 3.81Å; W1489-Q1496 HydrophobicContact CE3-CG 3.74Å; W1489-Q1496 HydrophobicContact CH2-CG 3.62Å; W1489-Q1496 HydrophobicContact CZ2-CG 3.69Å; W1489-Q1496 HydrophobicContact CZ3-CG 3.66Å |
| 1497 | I | 83.7 | Confident | 80 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 40% | 0.395 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -26.7 | 179.4 | 54.4 | 171.2 | 0 | 0 | 0 | 112.7 | W1476 C1488 D1490 | W1476-I1497 HydrophobicContact CB-CD1 4.46Å; C1488-I1497 HydrophobicContact CB-CD1 4.27Å; C1488-I1497 HydrophobicContact CB-CG1 3.81Å; C1488-I1497 WeakPolarHBondContact O-CG1 3.23Å; C1488-I1497 PolarHBondContact O-N 3.07Å; D1490-I1497 HydrophobicContact CB-CG2 3.67Å |
| 1498 | A | 81.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C1488 L1559 A1563 S1566 | C1488-A1498 HydrophobicContact CB-CB 4.12Å; C1488-A1498 PolarHBondContact N-O 2.87Å; A1498-L1559 HydrophobicContact CB-CD1 4.45Å; A1498-A1563 HydrophobicContact CB-CB 4.04Å; A1498-S1566 VanDerWaalsContact CA-OG 3.28Å; A1498-S1566 WeakPolarHBondContact CA-OG 3.36Å |
| 1499 | Y | 82.3 | Confident | 79.4 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 38% | 0.376 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.4 | 162.9 | 84.5 | -78.3 | 0 | 0 | 0 | 108.9 | L1486 S1566 | L1486-Y1499 CarbonylContact O-C 3.54Å; L1486-Y1499 VanDerWaalsContact O-CA 3.31Å; L1486-Y1499 WeakPolarHBondContact O-CA 3.32Å; Y1499-S1566 PolarHBondContact N-OG 2.8Å; Y1499-S1566 PolarHBondContact O-OG 2.75Å |
| 1500 | T | 79.9 | Confident | 79.4 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.3 | 172 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | H1485 L1486 W1557 S1562 A1565 T1588 | H1485-T1500 CarbonylContact C-O 3.57Å; H1485-T1500 VanDerWaalsContact CA-O 3.23Å; H1485-T1500 WeakPolarHBondContact CA-O 3.49Å; L1486-T1500 PolarHBondContact N-O 2.87Å; L1486-T1500 PolarHBondContact O-N 2.72Å; T1500-W1557 HydrophobicContact CG2-CE3 4.48Å; T1500-W1557 HydrophobicContact CG2-CZ3 4.4Å; T1500-S1562 VanDerWaalsContact CG2-CB 3.5Å; T1500-A1565 HydrophobicContact CG2-CB 4.34Å; T1500-T1588 WeakPolarHBondContact CG2-O 3.42Å |
| 1501 | E | 78.9 | Confident | 79.6 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.9 | 178.1 | -166.1 | -178 | 169.8 | 0 | 0 | 109.2 | H1485 Q1505 W1557 | H1485-E1501 IonicContact NE2-OE2 2.96Å; E1501-Q1505 HydrophobicContact CG-CG 4.24Å; E1501-Q1505 PolarHBondContact OE2-NE2 2.72Å; E1501-W1557 WeakPolarHBondContact O-CH2 3.37Å |
| 1502 | H | 79.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | trans | -55.4 | 140.3 | 178.6 | -157.1 | -98.3 | 0 | 0 | 0 | 111.1 | G1484 Y1504 Q1505 I1508 T1548 E1553 T1555 W1557 | G1484-H1502 WeakPolarHBondContact O-CB 2.88Å; G1484-H1502 PolarHBondContact O-N 2.63Å; H1502-Y1504 AromaticContact CE1-CD2 3.01Å; H1502-Y1504 WeakPolarHBondContact CE1-CD2 3.43Å; H1502-Y1504 AromaticContact CE1-CE2 2.88Å; H1502-Y1504 WeakPolarHBondContact CE1-CE2 3.37Å; H1502-Y1504 AromaticContact CE1-CZ 3.92Å; H1502-Y1504 AromaticContact ND1-CD2 3.35Å; H1502-Y1504 WeakPolarHBondContact ND1-CD2 3.35Å; H1502-Y1504 PolarHBondContact O-N 2.81Å; H1502-Q1505 PolarHBondContact O-N 3.4Å; H1502-I1508 VanDerWaalsContact CE1-CD1 3.43Å; H1502-I1508 WeakPolarHBondContact CE1-CD1 3.43Å; H1502-T1548 WeakPolarHBondContact NE2-CG2 3.14Å; H1502-E1553 IonicContact CE1-OE1 3.71Å; H1502-E1553 IonicContact CE1-OE2 3.85Å; H1502-E1553 PolarHBondContact CE1-OE2 2.83Å; H1502-E1553 IonicContact NE2-OE2 3.28Å; H1502-T1555 VanDerWaalsContact NE2-CB 3.27Å; H1502-T1555 WeakPolarHBondContact NE2-CB 3.38Å; H1502-T1555 WeakPolarHBondContact NE2-CG2 3.01Å; H1502-T1555 PolarHBondContact NE2-OG1 2.71Å; H1502-W1557 AromaticContact CD2-CZ2 3.74Å | ||
| 1503 | P | 69.9 | Low | 80.3 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -59.9 | -23.6 | -167.7 | -26 | 36.2 | 0 | 0 | 0 | 114.7 | Q1505 W1557 L1604 | P1503-Q1505 VanDerWaalsContact C-N 3.25Å; P1503-Q1505 PolarHBondContact O-N 2.87Å; P1503-Q1505 VanDerWaalsContact O-N 3.13Å; P1503-W1557 HydrophobicContact CG-CH2 4.38Å; P1503-L1604 HydrophobicContact CB-CD2 4.41Å; P1503-L1604 HydrophobicContact CG-CD2 4.5Å |
| 1504 | Y | 67.2 | Low | 80.5 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -86.5 | 55.4 | 179 | -52.3 | -115.5 | 0 | 0 | 0 | 110.8 | H1502 I1508 E1553 W1595 L1604 L1606 | H1502-Y1504 AromaticContact CE1-CD2 3.01Å; H1502-Y1504 WeakPolarHBondContact CE1-CD2 3.43Å; H1502-Y1504 AromaticContact CE1-CE2 2.88Å; H1502-Y1504 WeakPolarHBondContact CE1-CE2 3.37Å; H1502-Y1504 AromaticContact CE1-CZ 3.92Å; H1502-Y1504 AromaticContact ND1-CD2 3.35Å; H1502-Y1504 WeakPolarHBondContact ND1-CD2 3.35Å; H1502-Y1504 PolarHBondContact O-N 2.81Å; Y1504-I1508 HydrophobicContact CD1-CD1 4.07Å; Y1504-I1508 HydrophobicContact CD2-CD1 3.71Å; Y1504-I1508 HydrophobicContact CE2-CD1 4.25Å; Y1504-I1508 HydrophobicContact CG-CD1 3.57Å; Y1504-E1553 WeakPolarHBondContact CE2-OE1 3.43Å; Y1504-E1553 WeakPolarHBondContact CE2-OE2 3.32Å; Y1504-E1553 PolarHBondContact OH-OE1 3.27Å; Y1504-E1553 PolarHBondContact OH-OE2 2.8Å; Y1504-W1595 HydrophobicContact CE1-CZ3 4.35Å; Y1504-L1604 HydrophobicContact CD2-CD2 4.49Å; Y1504-L1604 HydrophobicContact CE2-CD2 3.65Å; Y1504-L1604 PolarHBondContact OH-N 3.42Å; Y1504-L1606 HydrophobicContact CD1-CB 3.98Å; Y1504-L1606 HydrophobicContact CD1-CD1 4.22Å |
| 1505 | Q | 61.4 | Low | 80.4 | Confident | 120 Ų | 120 | 43.1 Ų | 43.1 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | trans | -57 | 136.7 | -177.4 | -58.5 | -175 | -70.7 | 0 | 0 | 112.6 | E1501 H1502 P1503 | E1501-Q1505 HydrophobicContact CG-CG 4.24Å; E1501-Q1505 PolarHBondContact OE2-NE2 2.72Å; H1502-Q1505 PolarHBondContact O-N 3.4Å; P1503-Q1505 VanDerWaalsContact C-N 3.25Å; P1503-Q1505 PolarHBondContact O-N 2.87Å; P1503-Q1505 VanDerWaalsContact O-N 3.13Å | ||
| 1506 | P | 57.6 | Low | 79.9 | Confident | 97 Ų | 97 | 34.9 Ų | 34.9 | 63% | 0.63 | 19% | 0.187 | S | C | * | . | S | Bend | cis | -108 | 139.2 | -33.4 | 35.9 | -25.7 | 0 | 0 | 0 | 110.7 | ||
| 1507 | G | 69.7 | Low | 79.1 | Confident | 32 Ų | 32 | 33 Ų | 33 | 33% | 0.33 | 18% | 0.179 | S | C | . | . | trans | 162.6 | -5.3 | 176 | 0 | 0 | 0 | 0 | 0 | 117.5 | H1550 | G1507-H1550 PolarHBondContact O-NE2 3.43Š| ||
| 1508 | I | 79.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -93.7 | 118.4 | 178 | -57.9 | -159.7 | 0 | 0 | 0 | 109.9 | R1483 G1484 H1502 Y1504 T1548 H1550 L1606 | R1483-I1508 CarbonylContact C-O 3.32Å; G1484-I1508 WeakPolarHBondContact CA-O 3.45Å; G1484-I1508 PolarHBondContact N-O 3.24Å; H1502-I1508 VanDerWaalsContact CE1-CD1 3.43Å; H1502-I1508 WeakPolarHBondContact CE1-CD1 3.43Å; Y1504-I1508 HydrophobicContact CD1-CD1 4.07Å; Y1504-I1508 HydrophobicContact CD2-CD1 3.71Å; Y1504-I1508 HydrophobicContact CE2-CD1 4.25Å; Y1504-I1508 HydrophobicContact CG-CD1 3.57Å; I1508-T1548 HydrophobicContact CG2-CG2 3.82Å; I1508-H1550 WeakPolarHBondContact CA-NE2 3.33Å; I1508-H1550 HydrophobicContact CD1-CB 4.14Å; I1508-H1550 HydrophobicContact CG1-CB 4.47Å; I1508-L1606 HydrophobicContact CD1-CD1 4.41Å; I1508-L1606 HydrophobicContact CG1-CD1 4.49Å | ||
| 1509 | G | 87.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -84.7 | 142.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1481 T1548 D1549 | T1481-G1509 WeakPolarHBondContact O-CA 3.35Å; G1509-T1548 CarbonylContact O-C 3.56Å; G1509-T1548 WeakPolarHBondContact O-CA 3.38Å; G1509-D1549 WeakPolarHBondContact CA-OD1 3.21Å; G1509-D1549 WeakPolarHBondContact CA-OD2 3.08Å; G1509-D1549 VanDerWaalsContact N-CG 3.29Å; G1509-D1549 PolarHBondContact N-OD1 3.25Å; G1509-D1549 PolarHBondContact N-OD2 3.22Å; G1509-D1549 PolarHBondContact O-N 3.26Å | ||
| 1510 | I | 90.8 | Very high | 74.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 106.2 | -179.6 | -57.5 | 167.5 | 0 | 0 | 0 | 109.4 | L1466 S1467 T1481 L1486 L1513 A1546 A1547 | L1466-I1510 WeakPolarHBondContact CB-O 3.27Å; S1467-I1510 WeakPolarHBondContact CB-O 3.28Å; S1467-I1510 PolarHBondContact OG-O 3.04Å; T1481-I1510 PolarHBondContact O-N 2.91Å; T1481-I1510 VanDerWaalsContact O-N 3.08Å; L1486-I1510 HydrophobicContact CD2-CD1 3.63Å; L1486-I1510 HydrophobicContact CD2-CG2 4.49Å; L1486-I1510 HydrophobicContact CG-CD1 3.78Å; I1510-L1513 HydrophobicContact CG2-CD2 4.02Å; I1510-L1513 HydrophobicContact CG2-CG 4.04Å; I1510-A1546 HydrophobicContact CG2-CB 3.84Å; I1510-A1547 CarbonylContact C-O 3.58Å; I1510-A1547 WeakPolarHBondContact CA-O 3.39Å |
| 1511 | L | 91.6 | Very high | 72.6 | Confident | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -33.6 | -168.1 | -60.9 | -166.5 | 0 | 0 | 0 | 114.8 | L1466 S1467 A1547 D1549 R1616 | L1466-L1511 HydrophobicContact CD1-CD2 4.01Å; S1467-L1511 WeakPolarHBondContact CB-O 3.36Å; L1511-A1547 PolarHBondContact N-O 3.24Å; L1511-D1549 HydrophobicContact CD1-CB 3.89Å; L1511-D1549 HydrophobicContact CD2-CB 4.06Å; L1511-D1549 HydrophobicContact CG-CB 3.9Å; L1511-R1616 HydrophobicContact CD1-CG 4.01Å |
| 1512 | D | 91 | Very high | 70.6 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 157.7 | 173.5 | -171.6 | 37.2 | 0 | 0 | 0 | 111.1 | K1403 A1547 I1618 | K1403-D1512 IonicContact NZ-OD1 3.54Å; K1403-D1512 PolarHBondContact NZ-OD1 3.16Å; D1512-A1547 HydrophobicContact CB-CB 4.2Å; D1512-A1547 PolarHBondContact O-N 2.65Å; D1512-I1618 HydrophobicContact CB-CG1 4.4Å |
| 1513 | L | 91.3 | Very high | 68.4 | Low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 135.8 | -174 | -80.2 | 170.8 | 0 | 0 | 0 | 111.5 | S1467 A1469 V1478 G1480 L1486 I1510 I1544 I1545 A1546 | S1467-L1513 WeakPolarHBondContact OG-CD1 3.04Å; A1469-L1513 HydrophobicContact CB-CB 3.98Å; V1478-L1513 HydrophobicContact CG1-CD1 4.3Å; V1478-L1513 HydrophobicContact CG2-CD1 4.33Å; G1480-L1513 VanDerWaalsContact N-CD1 3.28Å; L1486-L1513 HydrophobicContact CD2-CD1 4.35Å; L1486-L1513 HydrophobicContact CD2-CD2 3.61Å; I1510-L1513 HydrophobicContact CG2-CD2 4.02Å; I1510-L1513 HydrophobicContact CG2-CG 4.04Å; L1513-I1544 HydrophobicContact CD2-CG2 3.81Å; L1513-I1545 WeakPolarHBondContact CA-O 3.45Å; L1513-A1546 HydrophobicContact CD2-CB 3.86Å |
| 1514 | Q | 87.8 | Confident | 66.6 | Low | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.4 | 167.1 | -68.1 | -172.8 | -4.3 | 0 | 0 | 110.9 | I1545 I1618 | Q1514-I1545 PolarHBondContact N-O 3.05Å; Q1514-I1545 PolarHBondContact O-N 3.03Å; Q1514-I1618 HydrophobicContact CB-CD1 4.32Å; Q1514-I1618 HydrophobicContact CG-CD1 4.24Å; Q1514-I1618 HydrophobicContact CG-CG1 4.31Å; Q1514-I1618 PolarHBondContact NE2-O 2.79Å |
| 1515 | I | 85.2 | Confident | 65.1 | Low | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.1 | 173.9 | -61.2 | 161.4 | 0 | 0 | 0 | 106.9 | T1406 A1469 W1476 V1478 T1542 L1543 | T1406-I1515 HydrophobicContact CG2-CB 4.23Å; T1406-I1515 HydrophobicContact CG2-CD1 4.21Å; T1406-I1515 HydrophobicContact CG2-CG1 4.49Å; A1469-I1515 HydrophobicContact CB-CD1 3.78Å; A1469-I1515 HydrophobicContact CB-CG1 3.85Å; W1476-I1515 HydrophobicContact CH2-CB 4.39Å; W1476-I1515 HydrophobicContact CH2-CD1 3.5Å; W1476-I1515 HydrophobicContact CH2-CG1 3.75Å; W1476-I1515 HydrophobicContact CH2-CG2 3.71Å; W1476-I1515 HydrophobicContact CZ2-CD1 4.11Å; W1476-I1515 HydrophobicContact CZ2-CG2 3.87Å; W1476-I1515 HydrophobicContact CZ3-CD1 3.81Å; W1476-I1515 HydrophobicContact CZ3-CG1 4.27Å; V1478-I1515 HydrophobicContact CG1-CD1 4.25Å; V1478-I1515 HydrophobicContact CG1-CG1 4.14Å; I1515-T1542 HydrophobicContact CG2-CG2 4.18Å; I1515-L1543 CarbonylContact C-O 3.56Å; I1515-L1543 WeakPolarHBondContact CA-O 3.29Å |
| 1516 | A | 75.7 | Confident | 63.8 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | L1543 I1545 C1620 | A1516-L1543 HydrophobicContact CB-CB 4.35Å; A1516-L1543 PolarHBondContact N-O 2.77Å; A1516-L1543 WeakPolarHBondContact O-CB 3.4Å; A1516-L1543 PolarHBondContact O-N 2.8Å; A1516-I1545 HydrophobicContact CB-CD1 3.87Å; A1516-C1620 VanDerWaalsContact CB-SG 3.58Å |
| 1517 | E | 68.4 | Low | 62.9 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 115.4 | 178.6 | -63.9 | 165.2 | -140.6 | 0 | 0 | 108.6 | I1417 H1471 S1472 | I1417-E1517 WeakPolarHBondContact CD1-OE2 3.47Å; I1417-E1517 WeakPolarHBondContact CG1-OE2 3.5Å; H1471-E1517 IonicContact CD2-OE1 2.85Å; H1471-E1517 IonicContact NE2-OE1 2.57Å; S1472-E1517 WeakPolarHBondContact CB-OE1 3.49Å; S1472-E1517 PolarHBondContact OG-OE1 3.24Å |
| 1518 | T | 60.1 | Low | 61.4 | Low | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.7 | -176.2 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | S1520 G1540 Q1541 L1543 | T1518-S1520 PolarHBondContact O-N 3.42Å; T1518-G1540 CarbonylContact O-C 3.58Å; T1518-Q1541 PolarHBondContact N-O 2.92Å; T1518-Q1541 PolarHBondContact O-N 2.79Å; T1518-Q1541 PolarHBondContact OG1-O 2.76Å; T1518-Q1541 VanDerWaalsContact OG1-O 3.13Å; T1518-L1543 HydrophobicContact CG2-CD1 3.72Å; T1518-L1543 HydrophobicContact CG2-CG 4.37Å |
| 1519 | H | 52.4 | Low | 59.2 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 106.1 | 174.5 | -59.9 | -66.7 | 0 | 0 | 0 | 110 | L1416 | L1416-H1519 PolarHBondContact O-NE2 3.26Å; L1416-H1519 VanDerWaalsContact O-NE2 3.15Å |
| 1520 | S | 44.4 | Very low | 56.6 | Low | 11 Ų | 11 | 87 Ų | 87 | 8% | 0.077 | 43% | 0.43 | C | S | . | . | trans | -105.2 | 151.5 | 173.5 | 75 | 0 | 0 | 0 | 0 | 110.4 | T1518 F1522 V1539 | T1518-S1520 PolarHBondContact O-N 3.42Å; S1520-F1522 VanDerWaalsContact OG-CD2 3.24Å; S1520-F1522 WeakPolarHBondContact OG-CD2 3.19Å; S1520-F1522 WeakPolarHBondContact OG-CE2 3.5Å; S1520-V1539 PolarHBondContact OG-O 3.29Å | ||
| 1521 | R | 35.2 | Very low | 53.8 | Low | 232 Ų | 232 | 96.8 Ų | 96.8 | 88% | 0.875 | 48% | 0.476 | S | S | * | . | trans | -110.4 | 83.7 | 169.2 | -77.8 | -170.3 | -177.8 | 179.1 | 2.9 | 108.5 | E1523 | R1521-E1523 PolarHBondContact O-N 3.2Š| ||
| 1522 | F | 37.2 | Very low | 51 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | trans | -76.7 | 106.4 | 164 | -79 | -82.1 | 0 | 0 | 0 | 109.5 | S1520 L1524 | S1520-F1522 VanDerWaalsContact OG-CD2 3.24Å; S1520-F1522 WeakPolarHBondContact OG-CD2 3.19Å; S1520-F1522 WeakPolarHBondContact OG-CE2 3.5Å; F1522-L1524 PolarHBondContact O-N 2.96Å | ||
| 1523 | E | 32 | Very low | 48.1 | Very low | 189 Ų | 189 | 104.7 Ų | 104.7 | 88% | 0.883 | 54% | 0.536 | S | S | * | . | trans | -70.4 | 111.3 | 150 | -65.8 | -163.2 | 138.9 | 0 | 0 | 106.9 | R1521 D1525 | R1521-E1523 PolarHBondContact O-N 3.2Å; E1523-D1525 PolarHBondContact O-N 2.94Å | ||
| 1524 | L | 33.2 | Very low | 45.4 | Very low | 146 Ų | 146 | 111 Ų | 111 | 76% | 0.764 | 57% | 0.566 | S | S | * | * | trans | -68.1 | 115.9 | 171.8 | -121.5 | 78.1 | 0 | 0 | 0 | 108.1 | F1522 K1526 | F1522-L1524 PolarHBondContact O-N 2.96Å; L1524-K1526 PolarHBondContact O-N 2.79Å | ||
| 1525 | D | 35.6 | Very low | 42.8 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | trans | -59.4 | 124.6 | 179.2 | -170.7 | 7.6 | 0 | 0 | 0 | 109.6 | E1523 K1527 | E1523-D1525 PolarHBondContact O-N 2.94Å; D1525-K1527 PolarHBondContact O-N 2.84Å | ||
| 1526 | K | 34.1 | Very low | 40.2 | Very low | 199 Ų | 199 | 122.4 Ų | 122.4 | 87% | 0.865 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 10.9 | -156.7 | -74.2 | -177.6 | 173.5 | 179.8 | 0 | 115.7 | L1524 | L1524-K1526 PolarHBondContact O-N 2.79Š|
| 1527 | K | 38.9 | Very low | 38.1 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 68% | 0.683 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.3 | -163.5 | -73.1 | 176.4 | 176.9 | 165.9 | 0 | 116.5 | D1525 | D1525-K1527 PolarHBondContact O-N 2.84Š|
| 1528 | Y | 37.1 | Very low | 36.6 | Very low | 227 Ų | 227 | 136.4 Ų | 136.4 | 89% | 0.89 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -133.9 | 5.1 | -169.4 | -70.4 | -72.9 | 0 | 0 | 0 | 117.1 | ||
| 1529 | A | 34.3 | Very low | 35.8 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | trans | -129.8 | 117 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1530 | G | 33 | Very low | 35.8 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | trans | -91.4 | 137.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1531 | Q | 31 | Very low | 36.8 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 96% | 0.963 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 51 | 61.3 | 151.6 | -60.8 | -173.6 | -6.2 | 0 | 0 | 118.8 | ||
| 1532 | S | 34.1 | Very low | 38.8 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -151.8 | 130.4 | 150.7 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | E1534 | S1532-E1534 PolarHBondContact O-N 3.28Š| ||
| 1533 | S | 30 | Very low | 41 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 88% | 0.881 | 64% | 0.637 | S | S | * | * | trans | -86.3 | 92.4 | -178.9 | 66 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1534 | E | 34 | Very low | 43.7 | Very low | 135 Ų | 135 | 112.1 Ų | 112.1 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | trans | -115 | 160.7 | 167 | -63.3 | -159.2 | 138.9 | 0 | 0 | 111.7 | S1532 Y1537 | S1532-E1534 PolarHBondContact O-N 3.28Å; E1534-Y1537 HydrophobicContact CB-CE2 4.01Å; E1534-Y1537 PolarHBondContact OE2-OH 2.9Å | ||
| 1535 | K | 33.3 | Very low | 46.4 | Very low | 154 Ų | 154 | 105.2 Ų | 105.2 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | trans | -67.4 | 153.2 | -175.5 | -66.5 | 164.4 | -176 | 166.7 | 0 | 109.9 | Y1537 | K1535-Y1537 WeakPolarHBondContact O-CD2 3.49Å; K1535-Y1537 PolarHBondContact O-N 2.75Å | ||
| 1536 | P | 31.3 | Very low | 49 | Very low | 119 Ų | 119 | 99.2 Ų | 99.2 | 77% | 0.773 | 53% | 0.527 | S | S | * | . | trans | -60.6 | 104.3 | 168.6 | 26.1 | -33.6 | 0 | 0 | 0 | 109.3 | Q1538 | P1536-Q1538 PolarHBondContact O-N 3.42Š| ||
| 1537 | Y | 31 | Very low | 51.8 | Low | 163 Ų | 163 | 89.8 Ų | 89.8 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | trans | -65.1 | 128.4 | 178.8 | -80.4 | -92.3 | 0 | 0 | 0 | 109.4 | E1534 K1535 V1539 | E1534-Y1537 HydrophobicContact CB-CE2 4.01Å; E1534-Y1537 PolarHBondContact OE2-OH 2.9Å; K1535-Y1537 WeakPolarHBondContact O-CD2 3.49Å; K1535-Y1537 PolarHBondContact O-N 2.75Å; Y1537-V1539 VanDerWaalsContact C-N 3.28Å; Y1537-V1539 PolarHBondContact O-N 3.25Å | ||
| 1538 | Q | 36.9 | Very low | 54.2 | Low | 187 Ų | 187 | 82.3 Ų | 82.3 | 87% | 0.874 | 45% | 0.453 | S | S | * | . | trans | -77.7 | 82.8 | 174.2 | -69 | -178.7 | -19 | 0 | 0 | 109 | P1536 G1540 | P1536-Q1538 PolarHBondContact O-N 3.42Å; Q1538-G1540 PolarHBondContact O-N 3.31Å | ||
| 1539 | V | 41.8 | Very low | 56.6 | Low | 65 Ų | 65 | 73.7 Ų | 73.7 | 39% | 0.394 | 42% | 0.422 | S | S | . | . | trans | -73.4 | 94.3 | 174.1 | -174 | 0 | 0 | 0 | 0 | 108.5 | S1520 Y1537 Q1541 E1560 | S1520-V1539 PolarHBondContact OG-O 3.29Å; Y1537-V1539 VanDerWaalsContact C-N 3.28Å; Y1537-V1539 PolarHBondContact O-N 3.25Å; V1539-Q1541 PolarHBondContact O-N 2.88Å; V1539-E1560 WeakPolarHBondContact CG1-OE2 3.32Å | ||
| 1540 | G | 53.8 | Low | 58.8 | Low | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 107.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1518 Q1538 T1542 | T1518-G1540 CarbonylContact O-C 3.58Å; Q1538-G1540 PolarHBondContact O-N 3.31Å; G1540-T1542 PolarHBondContact O-N 2.9Å |
| 1541 | Q | 65.4 | Low | 60.9 | Low | 25 Ų | 25 | 68 Ų | 68 | 12% | 0.117 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 134.9 | 178.2 | -74.8 | -177.5 | -50.3 | 0 | 0 | 110.1 | T1518 V1539 | T1518-Q1541 PolarHBondContact N-O 2.92Å; T1518-Q1541 PolarHBondContact O-N 2.79Å; T1518-Q1541 PolarHBondContact OG1-O 2.76Å; T1518-Q1541 VanDerWaalsContact OG1-O 3.13Å; V1539-Q1541 PolarHBondContact O-N 2.88Å |
| 1542 | T | 76.7 | Confident | 63.4 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 98.4 | -177.2 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | W1476 I1515 G1540 L1559 | W1476-T1542 HydrophobicContact CH2-CG2 3.66Å; W1476-T1542 HydrophobicContact CZ2-CG2 3.37Å; I1515-T1542 HydrophobicContact CG2-CG2 4.18Å; G1540-T1542 PolarHBondContact O-N 2.9Å; T1542-L1559 HydrophobicContact CG2-CB 4.05Å; T1542-L1559 HydrophobicContact CG2-CD2 3.7Å; T1542-L1559 WeakPolarHBondContact O-CB 3.35Å; T1542-L1559 PolarHBondContact O-N 3.15Å |
| 1543 | L | 83.2 | Confident | 66 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.7 | -175.8 | -55.3 | -179.8 | 0 | 0 | 0 | 111.1 | I1515 A1516 T1518 I1556 W1557 D1558 L1591 L1642 P1643 | I1515-L1543 CarbonylContact C-O 3.56Å; I1515-L1543 WeakPolarHBondContact CA-O 3.29Å; A1516-L1543 HydrophobicContact CB-CB 4.35Å; A1516-L1543 PolarHBondContact N-O 2.77Å; A1516-L1543 WeakPolarHBondContact O-CB 3.4Å; A1516-L1543 PolarHBondContact O-N 2.8Å; T1518-L1543 HydrophobicContact CG2-CD1 3.72Å; T1518-L1543 HydrophobicContact CG2-CG 4.37Å; L1543-I1556 HydrophobicContact CB-CG2 4.05Å; L1543-I1556 HydrophobicContact CD1-CG2 4.12Å; L1543-I1556 HydrophobicContact CD2-CG2 4.32Å; L1543-I1556 HydrophobicContact CG-CG2 4.4Å; L1543-W1557 CarbonylContact C-O 3.57Å; L1543-W1557 VanDerWaalsContact CA-O 3.27Å; L1543-W1557 WeakPolarHBondContact CA-O 3.45Å; L1543-D1558 HydrophobicContact CD2-CB 4.21Å; L1543-L1591 HydrophobicContact CD2-CD1 3.86Å; L1543-L1642 HydrophobicContact CD1-CD2 4.1Å; L1543-P1643 HydrophobicContact CD1-CG 4.4Å |
| 1544 | I | 87.9 | Confident | 68.8 | Low | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.1 | 172.8 | -59.7 | 163.5 | 0 | 0 | 0 | 107.1 | V1478 L1486 L1513 W1557 L1559 | V1478-I1544 HydrophobicContact CB-CD1 4.47Å; V1478-I1544 HydrophobicContact CG1-CG2 4.16Å; V1478-I1544 HydrophobicContact CG2-CD1 4.25Å; V1478-I1544 HydrophobicContact CG2-CG2 4.19Å; L1486-I1544 HydrophobicContact CD1-CG2 4.24Å; L1486-I1544 HydrophobicContact CD2-CG2 4.17Å; L1513-I1544 HydrophobicContact CD2-CG2 3.81Å; I1544-W1557 HydrophobicContact CB-CB 4.32Å; I1544-W1557 PolarHBondContact N-O 2.95Å; I1544-W1557 PolarHBondContact O-N 3.02Å; I1544-L1559 HydrophobicContact CD1-CB 4.27Å; I1544-L1559 HydrophobicContact CD1-CD1 4.16Å |
| 1545 | I | 90 | Very high | 71.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.1 | -178.6 | -57.4 | 167 | 0 | 0 | 0 | 107.7 | L1513 Q1514 A1516 V1554 T1555 I1556 I1618 C1620 P1643 I1645 | L1513-I1545 WeakPolarHBondContact CA-O 3.45Å; Q1514-I1545 PolarHBondContact N-O 3.05Å; Q1514-I1545 PolarHBondContact O-N 3.03Å; A1516-I1545 HydrophobicContact CB-CD1 3.87Å; I1545-V1554 HydrophobicContact CG2-CG1 3.67Å; I1545-T1555 WeakPolarHBondContact CA-O 3.23Å; I1545-I1556 HydrophobicContact CG1-CG1 4.39Å; I1545-I1556 HydrophobicContact CG1-CG2 4.26Å; I1545-I1618 HydrophobicContact CB-CD1 4.22Å; I1545-I1618 HydrophobicContact CG2-CD1 3.69Å; I1545-I1618 VanDerWaalsContact O-CD1 3.3Å; I1545-I1618 WeakPolarHBondContact O-CD1 3.41Å; I1545-C1620 HydrophobicContact CD1-CB 3.57Å; I1545-C1620 VanDerWaalsContact CD1-SG 3.56Å; I1545-P1643 HydrophobicContact CD1-CG 4.03Å; I1545-I1645 HydrophobicContact CD1-CD1 4.01Å; I1545-I1645 HydrophobicContact CD1-CG1 4.35Å; I1545-I1645 HydrophobicContact CG1-CD1 4.29Å; I1545-I1645 HydrophobicContact CG2-CD1 3.57Å |
| 1546 | A | 91.4 | Very high | 74.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1486 I1510 L1513 V1554 T1555 | L1486-A1546 HydrophobicContact CD2-CB 4.36Å; I1510-A1546 HydrophobicContact CG2-CB 3.84Å; L1513-A1546 HydrophobicContact CD2-CB 3.86Å; A1546-V1554 WeakPolarHBondContact O-CA 3.31Å; A1546-T1555 PolarHBondContact N-O 3.37Å; A1546-T1555 PolarHBondContact O-N 2.76Å |
| 1547 | A | 91.8 | Very high | 76.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1510 L1511 D1512 V1615 I1618 | I1510-A1547 CarbonylContact C-O 3.58Å; I1510-A1547 WeakPolarHBondContact CA-O 3.39Å; L1511-A1547 PolarHBondContact N-O 3.24Å; D1512-A1547 HydrophobicContact CB-CB 4.2Å; D1512-A1547 PolarHBondContact O-N 2.65Å; A1547-V1615 HydrophobicContact CB-CB 4.03Å; A1547-V1615 HydrophobicContact CB-CG1 3.93Å; A1547-I1618 HydrophobicContact CB-CD1 4.25Å; A1547-I1618 HydrophobicContact CB-CG1 4.15Å; A1547-I1618 HydrophobicContact CB-CG2 3.82Å |
| 1548 | T | 90 | Very high | 79.3 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 159.7 | -175.1 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | H1502 I1508 G1509 H1550 E1553 S1614 V1615 | H1502-T1548 WeakPolarHBondContact NE2-CG2 3.14Å; I1508-T1548 HydrophobicContact CG2-CG2 3.82Å; G1509-T1548 CarbonylContact O-C 3.56Å; G1509-T1548 WeakPolarHBondContact O-CA 3.38Å; T1548-H1550 PolarHBondContact OG1-O 2.93Å; T1548-E1553 WeakPolarHBondContact CB-O 3.08Å; T1548-E1553 HydrophobicContact CG2-CG 4.34Å; T1548-E1553 WeakPolarHBondContact CG2-O 3.43Å; T1548-E1553 PolarHBondContact N-O 2.87Å; T1548-E1553 WeakPolarHBondContact OG1-CB 3.34Å; T1548-E1553 PolarHBondContact OG1-O 2.74Å; T1548-S1614 WeakPolarHBondContact O-CA 3.36Å; T1548-V1615 PolarHBondContact O-N 2.91Å |
| 1549 | D | 87.2 | Confident | 81.3 | Confident | 46 Ų | 46 | 12.5 Ų | 12.5 | 25% | 0.246 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -85.6 | -0.6 | 174.4 | 63.7 | 4.5 | 0 | 0 | 0 | 116.2 | G1509 L1511 S1614 | G1509-D1549 WeakPolarHBondContact CA-OD1 3.21Å; G1509-D1549 WeakPolarHBondContact CA-OD2 3.08Å; G1509-D1549 VanDerWaalsContact N-CG 3.29Å; G1509-D1549 PolarHBondContact N-OD1 3.25Å; G1509-D1549 PolarHBondContact N-OD2 3.22Å; G1509-D1549 PolarHBondContact O-N 3.26Å; L1511-D1549 HydrophobicContact CD1-CB 3.89Å; L1511-D1549 HydrophobicContact CD2-CB 4.06Å; L1511-D1549 HydrophobicContact CG-CB 3.9Å; D1549-S1614 VanDerWaalsContact CA-CB 3.42Å |
| 1550 | H | 81.8 | Confident | 82.9 | Confident | 39 Ų | 39 | 14 Ų | 14 | 18% | 0.181 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -117.8 | 163.6 | 174.6 | -63.1 | -106.4 | 0 | 0 | 0 | 113 | G1507 I1508 T1548 N1552 E1553 H1612 R1613 | G1507-H1550 PolarHBondContact O-NE2 3.43Å; I1508-H1550 WeakPolarHBondContact CA-NE2 3.33Å; I1508-H1550 HydrophobicContact CD1-CB 4.14Å; I1508-H1550 HydrophobicContact CG1-CB 4.47Å; T1548-H1550 PolarHBondContact OG1-O 2.93Å; H1550-N1552 PolarHBondContact O-N 3.43Å; H1550-E1553 PolarHBondContact O-N 3.28Å; H1550-H1612 AromaticContact CE1-CE1 2.91Å; H1550-H1612 PolarHBondContact CE1-CE1 2.94Å; H1550-H1612 AromaticContact CE1-ND1 3.16Å; H1550-H1612 PolarHBondContact CE1-ND1 2.82Å; H1550-H1612 AromaticContact ND1-CE1 3.57Å; H1550-H1612 AromaticContact ND1-ND1 3.07Å; H1550-H1612 PolarHBondContact ND1-ND1 2.8Å; H1550-R1613 CarbonylContact C-O 3.54Å |
| 1551 | H | 76.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 9.4 | 166.8 | -52.9 | -46.7 | 0 | 0 | 0 | 119 | E1553 W1595 Q1597 R1613 | H1551-E1553 HydrophobicContact CB-CB 4.39Å; H1551-W1595 HydrophobicContact CB-CE3 4.23Å; H1551-W1595 HydrophobicContact CB-CZ3 3.99Å; H1551-W1595 AromaticContact CD2-CZ3 3.72Å; H1551-W1595 AromaticContact CG-CZ3 3.75Å; H1551-Q1597 VanDerWaalsContact CA-NE2 3.32Å; H1551-Q1597 HydrophobicContact CB-CG 3.93Å; H1551-Q1597 PolarHBondContact O-NE2 3.42Å; H1551-R1613 PolarHBondContact N-O 3.01Å |
| 1552 | N | 83.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34 | -162.9 | -72.6 | -39.9 | 0 | 0 | 0 | 112.7 | H1550 A1596 R1613 V1615 D1651 | H1550-N1552 PolarHBondContact O-N 3.43Å; N1552-A1596 HydrophobicContact CB-CB 3.83Å; N1552-R1613 PolarHBondContact N-O 3.07Å; N1552-R1613 WeakPolarHBondContact OD1-CB 3.17Å; N1552-V1615 HydrophobicContact CB-CG2 4.4Å; N1552-V1615 WeakPolarHBondContact O-CG2 3.49Å; N1552-D1651 PolarHBondContact ND2-OD2 3.1Å |
| 1553 | E | 87.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -87.2 | 132.5 | -173.2 | 173.6 | 174.9 | -137.2 | 0 | 0 | 112.9 | H1502 Y1504 T1548 H1550 H1551 T1555 S1593 T1594 | H1502-E1553 IonicContact CE1-OE1 3.71Å; H1502-E1553 IonicContact CE1-OE2 3.85Å; H1502-E1553 PolarHBondContact CE1-OE2 2.83Å; H1502-E1553 IonicContact NE2-OE2 3.28Å; Y1504-E1553 WeakPolarHBondContact CE2-OE1 3.43Å; Y1504-E1553 WeakPolarHBondContact CE2-OE2 3.32Å; Y1504-E1553 PolarHBondContact OH-OE1 3.27Å; Y1504-E1553 PolarHBondContact OH-OE2 2.8Å; T1548-E1553 WeakPolarHBondContact CB-O 3.08Å; T1548-E1553 HydrophobicContact CG2-CG 4.34Å; T1548-E1553 WeakPolarHBondContact CG2-O 3.43Å; T1548-E1553 PolarHBondContact N-O 2.87Å; T1548-E1553 WeakPolarHBondContact OG1-CB 3.34Å; T1548-E1553 PolarHBondContact OG1-O 2.74Å; H1550-E1553 PolarHBondContact O-N 3.28Å; H1551-E1553 HydrophobicContact CB-CB 4.39Å; E1553-T1555 HydrophobicContact CG-CG2 3.9Å; E1553-S1593 PolarHBondContact OE1-OG 2.88Å; E1553-T1594 VanDerWaalsContact CA-O 3.32Å; E1553-T1594 WeakPolarHBondContact CA-O 3.48Å; E1553-T1594 WeakPolarHBondContact CB-O 3.46Å | ||
| 1554 | V | 90.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.7 | 163.3 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | I1545 A1546 S1593 T1594 V1615 I1618 I1645 A1647 | I1545-V1554 HydrophobicContact CG2-CG1 3.67Å; A1546-V1554 WeakPolarHBondContact O-CA 3.31Å; V1554-S1593 CarbonylContact O-C 3.54Å; V1554-S1593 WeakPolarHBondContact O-CA 3.42Å; V1554-T1594 HydrophobicContact CB-CG2 4.28Å; V1554-T1594 PolarHBondContact N-OG1 3.22Å; V1554-T1594 PolarHBondContact O-N 3.13Å; V1554-V1615 HydrophobicContact CG2-CB 4.46Å; V1554-V1615 HydrophobicContact CG2-CG1 4.1Å; V1554-V1615 HydrophobicContact CG2-CG2 4.04Å; V1554-I1618 HydrophobicContact CG1-CG2 4.11Å; V1554-I1618 HydrophobicContact CG2-CG2 3.77Å; V1554-I1645 HydrophobicContact CG1-CD1 4.16Å; V1554-I1645 HydrophobicContact CG1-CG2 4.47Å; V1554-A1647 HydrophobicContact CG2-CB 3.96Å |
| 1555 | T | 90.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.6 | 174.9 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | H1502 I1545 A1546 E1553 W1557 A1592 | H1502-T1555 VanDerWaalsContact NE2-CB 3.27Å; H1502-T1555 WeakPolarHBondContact NE2-CB 3.38Å; H1502-T1555 WeakPolarHBondContact NE2-CG2 3.01Å; H1502-T1555 PolarHBondContact NE2-OG1 2.71Å; I1545-T1555 WeakPolarHBondContact CA-O 3.23Å; A1546-T1555 PolarHBondContact N-O 3.37Å; A1546-T1555 PolarHBondContact O-N 2.76Å; E1553-T1555 HydrophobicContact CG-CG2 3.9Å; T1555-W1557 VanDerWaalsContact CB-NE1 3.31Å; T1555-W1557 PolarHBondContact OG1-NE1 2.86Å; T1555-A1592 CarbonylContact C-O 3.55Å; T1555-A1592 VanDerWaalsContact CA-O 3.29Å; T1555-A1592 WeakPolarHBondContact CA-O 3.25Å |
| 1556 | I | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125 | 176.1 | -48.5 | -179 | 0 | 0 | 0 | 107.9 | L1543 I1545 L1591 A1592 L1642 I1645 F1659 | L1543-I1556 HydrophobicContact CB-CG2 4.05Å; L1543-I1556 HydrophobicContact CD1-CG2 4.12Å; L1543-I1556 HydrophobicContact CD2-CG2 4.32Å; L1543-I1556 HydrophobicContact CG-CG2 4.4Å; I1545-I1556 HydrophobicContact CG1-CG1 4.39Å; I1545-I1556 HydrophobicContact CG1-CG2 4.26Å; I1556-L1591 PolarHBondContact O-N 3.3Å; I1556-A1592 HydrophobicContact CB-CB 4.21Å; I1556-A1592 HydrophobicContact CD1-CB 4.32Å; I1556-A1592 HydrophobicContact CG1-CB 4.36Å; I1556-A1592 PolarHBondContact N-O 3.11Å; I1556-A1592 PolarHBondContact O-N 2.77Å; I1556-A1592 VanDerWaalsContact O-N 3.08Å; I1556-L1642 HydrophobicContact CD1-CD2 4.32Å; I1556-L1642 HydrophobicContact CG2-CD2 4.19Å; I1556-I1645 HydrophobicContact CD1-CD1 3.7Å; I1556-I1645 HydrophobicContact CG1-CD1 3.96Å; I1556-F1659 HydrophobicContact CD1-CD1 4.39Å; I1556-F1659 HydrophobicContact CD1-CD2 4.01Å; I1556-F1659 HydrophobicContact CD1-CE1 4.13Å; I1556-F1659 HydrophobicContact CD1-CE2 3.75Å; I1556-F1659 HydrophobicContact CD1-CG 4.31Å; I1556-F1659 HydrophobicContact CD1-CZ 3.78Å; I1556-F1659 HydrophobicContact CG1-CZ 4.36Å |
| 1557 | W | 87.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.4 | -178.4 | -56 | 69.4 | 0 | 0 | 0 | 109 | L1486 T1500 E1501 H1502 P1503 L1543 I1544 T1555 T1588 G1589 C1590 | L1486-W1557 HydrophobicContact CD1-CB 4.21Å; L1486-W1557 HydrophobicContact CD1-CD2 3.53Å; L1486-W1557 HydrophobicContact CD1-CE3 4.14Å; L1486-W1557 HydrophobicContact CD1-CG 3.51Å; L1486-W1557 HydrophobicContact CD1-CZ2 4.46Å; T1500-W1557 HydrophobicContact CG2-CE3 4.48Å; T1500-W1557 HydrophobicContact CG2-CZ3 4.4Å; E1501-W1557 WeakPolarHBondContact O-CH2 3.37Å; H1502-W1557 AromaticContact CD2-CZ2 3.74Å; P1503-W1557 HydrophobicContact CG-CH2 4.38Å; L1543-W1557 CarbonylContact C-O 3.57Å; L1543-W1557 VanDerWaalsContact CA-O 3.27Å; L1543-W1557 WeakPolarHBondContact CA-O 3.45Å; I1544-W1557 HydrophobicContact CB-CB 4.32Å; I1544-W1557 PolarHBondContact N-O 2.95Å; I1544-W1557 PolarHBondContact O-N 3.02Å; T1555-W1557 VanDerWaalsContact CB-NE1 3.31Å; T1555-W1557 PolarHBondContact OG1-NE1 2.86Å; W1557-T1588 VanDerWaalsContact CZ3-O 3.25Å; W1557-T1588 WeakPolarHBondContact CZ3-O 3.33Å; W1557-G1589 CarbonylContact C-O 3.54Å; W1557-G1589 VanDerWaalsContact CA-O 3.24Å; W1557-G1589 WeakPolarHBondContact CA-O 3.36Å; W1557-C1590 HydrophobicContact CD2-CB 3.83Å; W1557-C1590 HydrophobicContact CE3-CB 3.78Å; W1557-C1590 VanDerWaalsContact CE3-N 3.34Å; W1557-C1590 HydrophobicContact CH2-CB 3.82Å; W1557-C1590 HydrophobicContact CZ2-CB 3.88Å; W1557-C1590 HydrophobicContact CZ3-CB 3.78Å |
| 1558 | D | 81.6 | Confident | 75.5 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.1 | 167 | 163.4 | 44.6 | 0 | 0 | 0 | 109.7 | L1543 E1560 S1561 S1562 G1589 L1591 | L1543-D1558 HydrophobicContact CD2-CB 4.21Å; D1558-E1560 VanDerWaalsContact C-N 3.31Å; D1558-E1560 PolarHBondContact O-N 3.08Å; D1558-E1560 PolarHBondContact OD1-N 3.24Å; D1558-E1560 VanDerWaalsContact OD1-N 3.14Å; D1558-S1561 WeakPolarHBondContact OD2-CB 3.46Å; D1558-S1561 PolarHBondContact OD2-N 2.66Å; D1558-S1561 PolarHBondContact OD2-OG 2.76Å; D1558-S1562 WeakPolarHBondContact O-CB 3.45Å; D1558-S1562 PolarHBondContact O-N 2.81Å; D1558-S1562 PolarHBondContact O-OG 3.42Å; D1558-G1589 PolarHBondContact N-O 3.26Å; D1558-L1591 HydrophobicContact CB-CD1 3.77Å; D1558-L1591 HydrophobicContact CB-CD2 4.44Å; D1558-L1591 HydrophobicContact CB-CG 3.99Å |
| 1559 | L | 80.1 | Confident | 73.5 | Confident | 20 Ų | 20 | 26.5 Ų | 26.5 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 178.8 | 176.2 | 61.1 | 0 | 0 | 0 | 112.2 | W1476 C1488 A1498 T1542 I1544 S1562 A1563 | W1476-L1559 HydrophobicContact CD2-CD2 4.43Å; W1476-L1559 HydrophobicContact CE3-CD2 4.48Å; W1476-L1559 HydrophobicContact CH2-CD2 4.08Å; W1476-L1559 HydrophobicContact CZ2-CD2 4.02Å; W1476-L1559 HydrophobicContact CZ3-CD2 4.31Å; C1488-L1559 HydrophobicContact CB-CD1 3.9Å; C1488-L1559 VanDerWaalsContact SG-CD1 3.55Å; A1498-L1559 HydrophobicContact CB-CD1 4.45Å; T1542-L1559 HydrophobicContact CG2-CB 4.05Å; T1542-L1559 HydrophobicContact CG2-CD2 3.7Å; T1542-L1559 WeakPolarHBondContact O-CB 3.35Å; T1542-L1559 PolarHBondContact O-N 3.15Å; I1544-L1559 HydrophobicContact CD1-CB 4.27Å; I1544-L1559 HydrophobicContact CD1-CD1 4.16Å; L1559-S1562 PolarHBondContact O-N 2.77Å; L1559-A1563 WeakPolarHBondContact O-CB 3.42Å; L1559-A1563 PolarHBondContact O-N 2.78Å |
| 1560 | E | 74.6 | Confident | 71.4 | Confident | 96 Ų | 96 | 26.9 Ų | 26.9 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -75.3 | -45.2 | -177 | -59.1 | -171.5 | 165.5 | 0 | 0 | 111.2 | V1539 D1558 S1562 A1563 T1564 | V1539-E1560 WeakPolarHBondContact CG1-OE2 3.32Å; D1558-E1560 VanDerWaalsContact C-N 3.31Å; D1558-E1560 PolarHBondContact O-N 3.08Å; D1558-E1560 PolarHBondContact OD1-N 3.24Å; D1558-E1560 VanDerWaalsContact OD1-N 3.14Å; E1560-S1562 VanDerWaalsContact C-N 3.26Å; E1560-S1562 PolarHBondContact O-N 2.91Å; E1560-A1563 PolarHBondContact O-N 2.68Å; E1560-T1564 PolarHBondContact O-N 2.79Å; E1560-T1564 PolarHBondContact O-OG1 3.42Å |
| 1561 | S | 69.9 | Low | 69.4 | Low | 33 Ų | 33 | 30.7 Ų | 30.7 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -36.5 | 168.4 | -58.5 | 0 | 0 | 0 | 0 | 112 | D1558 T1564 A1565 | D1558-S1561 WeakPolarHBondContact OD2-CB 3.46Å; D1558-S1561 PolarHBondContact OD2-N 2.66Å; D1558-S1561 PolarHBondContact OD2-OG 2.76Å; S1561-T1564 WeakPolarHBondContact CA-OG1 3.46Å; S1561-T1564 PolarHBondContact O-OG1 3.41Å; S1561-A1565 VanDerWaalsContact O-CB 3.27Å; S1561-A1565 WeakPolarHBondContact O-CB 3.16Å; S1561-A1565 PolarHBondContact O-N 2.68Å |
| 1562 | S | 66.4 | Low | 67.5 | Low | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.3 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | T1500 D1558 L1559 E1560 S1566 | T1500-S1562 VanDerWaalsContact CG2-CB 3.5Å; D1558-S1562 WeakPolarHBondContact O-CB 3.45Å; D1558-S1562 PolarHBondContact O-N 2.81Å; D1558-S1562 PolarHBondContact O-OG 3.42Å; L1559-S1562 PolarHBondContact O-N 2.77Å; E1560-S1562 VanDerWaalsContact C-N 3.26Å; E1560-S1562 PolarHBondContact O-N 2.91Å; S1562-S1566 WeakPolarHBondContact O-CB 3.1Å; S1562-S1566 PolarHBondContact O-N 2.77Å; S1562-S1566 PolarHBondContact O-OG 3.22Å |
| 1563 | A | 65.4 | Low | 65.5 | Low | 29 Ų | 29 | 39.3 Ų | 39.3 | 24% | 0.24 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1498 L1559 E1560 S1566 S1567 | A1498-A1563 HydrophobicContact CB-CB 4.04Å; L1559-A1563 WeakPolarHBondContact O-CB 3.42Å; L1559-A1563 PolarHBondContact O-N 2.78Å; E1560-A1563 PolarHBondContact O-N 2.68Å; A1563-S1566 WeakPolarHBondContact O-CB 3.29Å; A1563-S1566 PolarHBondContact O-N 3.29Å; A1563-S1567 WeakPolarHBondContact O-CB 3.4Å; A1563-S1567 PolarHBondContact O-N 3.24Å; A1563-S1567 PolarHBondContact O-OG 2.84Å |
| 1564 | T | 60.5 | Low | 62.8 | Low | 90 Ų | 90 | 43 Ų | 43 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -73.4 | -36.5 | 174.6 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | E1560 S1561 S1567 S1568 | E1560-T1564 PolarHBondContact O-N 2.79Å; E1560-T1564 PolarHBondContact O-OG1 3.42Å; S1561-T1564 WeakPolarHBondContact CA-OG1 3.46Å; S1561-T1564 PolarHBondContact O-OG1 3.41Å; T1564-S1567 PolarHBondContact O-N 2.83Å; T1564-S1568 WeakPolarHBondContact O-CB 2.9Å; T1564-S1568 PolarHBondContact O-N 3.47Å; T1564-S1568 PolarHBondContact O-OG 3.34Å |
| 1565 | A | 59.9 | Low | 59.9 | Low | 17 Ų | 17 | 50.3 Ų | 50.3 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112 | T1500 S1561 S1567 S1568 A1569 S1587 | T1500-A1565 HydrophobicContact CG2-CB 4.34Å; S1561-A1565 VanDerWaalsContact O-CB 3.27Å; S1561-A1565 WeakPolarHBondContact O-CB 3.16Å; S1561-A1565 PolarHBondContact O-N 2.68Å; A1565-S1567 VanDerWaalsContact C-N 3.31Å; A1565-S1567 PolarHBondContact O-N 2.84Å; A1565-S1568 WeakPolarHBondContact CA-OG 3.43Å; A1565-S1568 PolarHBondContact O-N 3.36Å; A1565-S1568 PolarHBondContact O-OG 2.88Å; A1565-S1568 VanDerWaalsContact O-OG 3.1Å; A1565-A1569 WeakPolarHBondContact O-CB 3.5Å; A1565-A1569 PolarHBondContact O-N 3.39Å; A1565-S1587 VanDerWaalsContact CB-O 3.28Å; A1565-S1587 WeakPolarHBondContact CB-O 3.32Å |
| 1566 | S | 59.7 | Low | 57.1 | Low | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 174.7 | -52.2 | 0 | 0 | 0 | 0 | 112 | A1498 Y1499 S1562 A1563 A1570 | A1498-S1566 VanDerWaalsContact CA-OG 3.28Å; A1498-S1566 WeakPolarHBondContact CA-OG 3.36Å; Y1499-S1566 PolarHBondContact N-OG 2.8Å; Y1499-S1566 PolarHBondContact O-OG 2.75Å; S1562-S1566 WeakPolarHBondContact O-CB 3.1Å; S1562-S1566 PolarHBondContact O-N 2.77Å; S1562-S1566 PolarHBondContact O-OG 3.22Å; A1563-S1566 WeakPolarHBondContact O-CB 3.29Å; A1563-S1566 PolarHBondContact O-N 3.29Å; S1566-A1570 PolarHBondContact O-N 2.87Å |
| 1567 | S | 56.3 | Low | 54.2 | Low | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.7 | -39.9 | -175.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | A1563 T1564 A1565 A1570 I1571 | A1563-S1567 WeakPolarHBondContact O-CB 3.4Å; A1563-S1567 PolarHBondContact O-N 3.24Å; A1563-S1567 PolarHBondContact O-OG 2.84Å; T1564-S1567 PolarHBondContact O-N 2.83Å; A1565-S1567 VanDerWaalsContact C-N 3.31Å; A1565-S1567 PolarHBondContact O-N 2.84Å; S1567-A1570 PolarHBondContact O-N 2.77Å; S1567-I1571 WeakPolarHBondContact O-CD1 3.42Å; S1567-I1571 VanDerWaalsContact O-CG1 3.27Å; S1567-I1571 WeakPolarHBondContact O-CG1 3.46Å; S1567-I1571 PolarHBondContact O-N 1.88Å |
| 1568 | S | 47.5 | Very low | 51.4 | Low | 67 Ų | 67 | 72.2 Ų | 72.2 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 175.4 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | T1564 A1565 I1571 S1572 | T1564-S1568 WeakPolarHBondContact O-CB 2.9Å; T1564-S1568 PolarHBondContact O-N 3.47Å; T1564-S1568 PolarHBondContact O-OG 3.34Å; A1565-S1568 WeakPolarHBondContact CA-OG 3.43Å; A1565-S1568 PolarHBondContact O-N 3.36Å; A1565-S1568 PolarHBondContact O-OG 2.88Å; A1565-S1568 VanDerWaalsContact O-OG 3.1Å; S1568-I1571 PolarHBondContact O-N 3Å; S1568-S1572 PolarHBondContact O-N 2.8Å |
| 1569 | A | 48.5 | Very low | 49 | Very low | 35 Ų | 35 | 77.4 Ų | 77.4 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1565 I1571 S1572 S1573 | A1565-A1569 WeakPolarHBondContact O-CB 3.5Å; A1565-A1569 PolarHBondContact O-N 3.39Å; A1569-I1571 PolarHBondContact O-N 3.03Å; A1569-S1572 PolarHBondContact O-N 2.89Å; A1569-S1572 PolarHBondContact O-OG 3.25Å; A1569-S1573 PolarHBondContact O-N 3.01Å |
| 1570 | A | 42.3 | Very low | 46.5 | Very low | 53 Ų | 53 | 82.8 Ų | 82.8 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1566 S1567 S1572 S1573 | S1566-A1570 PolarHBondContact O-N 2.87Å; S1567-A1570 PolarHBondContact O-N 2.77Å; A1570-S1572 VanDerWaalsContact C-N 3.31Å; A1570-S1572 PolarHBondContact O-N 2.91Å; A1570-S1573 WeakPolarHBondContact O-CB 3.23Å; A1570-S1573 PolarHBondContact O-N 2.82Å; A1570-S1573 PolarHBondContact O-OG 2.82Å |
| 1571 | I | 39.2 | Very low | 44.5 | Very low | 119 Ų | 119 | 82.7 Ų | 82.7 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -34.5 | 176.4 | -68.6 | 162.1 | 0 | 0 | 0 | 111.5 | S1567 S1568 A1569 S1573 C1574 | S1567-I1571 WeakPolarHBondContact O-CD1 3.42Å; S1567-I1571 VanDerWaalsContact O-CG1 3.27Å; S1567-I1571 WeakPolarHBondContact O-CG1 3.46Å; S1567-I1571 PolarHBondContact O-N 1.88Å; S1568-I1571 PolarHBondContact O-N 3Å; A1569-I1571 PolarHBondContact O-N 3.03Å; I1571-S1573 PolarHBondContact O-N 2.9Å; I1571-S1573 VanDerWaalsContact O-N 3.14Å; I1571-C1574 PolarHBondContact O-N 3.11Å; I1571-C1574 PolarHBondContact O-SG 3.31Å |
| 1572 | S | 38.3 | Very low | 42.5 | Very low | 93 Ų | 93 | 90.3 Ų | 90.3 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -12.4 | 173.8 | 78.6 | 0 | 0 | 0 | 0 | 114.1 | S1568 A1569 A1570 | S1568-S1572 PolarHBondContact O-N 2.8Å; A1569-S1572 PolarHBondContact O-N 2.89Å; A1569-S1572 PolarHBondContact O-OG 3.25Å; A1570-S1572 VanDerWaalsContact C-N 3.31Å; A1570-S1572 PolarHBondContact O-N 2.91Å |
| 1573 | S | 41.1 | Very low | 40.5 | Very low | 96 Ų | 96 | 94.8 Ų | 94.8 | 67% | 0.671 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -14.9 | 176.3 | 78.4 | 0 | 0 | 0 | 0 | 114.4 | A1569 A1570 I1571 | A1569-S1573 PolarHBondContact O-N 3.01Å; A1570-S1573 WeakPolarHBondContact O-CB 3.23Å; A1570-S1573 PolarHBondContact O-N 2.82Å; A1570-S1573 PolarHBondContact O-OG 2.82Å; I1571-S1573 PolarHBondContact O-N 2.9Å; I1571-S1573 VanDerWaalsContact O-N 3.14Å |
| 1574 | C | 31 | Very low | 38.7 | Very low | 78 Ų | 78 | 98.8 Ų | 98.8 | 53% | 0.527 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -99.4 | 82.9 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 112 | I1571 Y1576 | I1571-C1574 PolarHBondContact O-N 3.11Å; I1571-C1574 PolarHBondContact O-SG 3.31Å; C1574-Y1576 PolarHBondContact O-N 3.28Å |
| 1575 | N | 28 | Very low | 37.5 | Very low | 153 Ų | 153 | 100.1 Ų | 100.1 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -56.3 | 97.6 | 176.7 | -81.8 | -37 | 0 | 0 | 0 | 113.5 | ||||
| 1576 | Y | 31.7 | Very low | 36.6 | Very low | 215 Ų | 215 | 109.7 Ų | 109.7 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | trans | -128.7 | 126.5 | 152.6 | -77.6 | -81.2 | 0 | 0 | 0 | 108.1 | C1574 L1578 | C1574-Y1576 PolarHBondContact O-N 3.28Å; Y1576-L1578 PolarHBondContact O-N 2.88Å | ||
| 1577 | G | 29.1 | Very low | 36.2 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 87% | 0.866 | 68% | 0.677 | S | S | * | * | trans | -74.2 | 120.3 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1578 | L | 28.6 | Very low | 36.5 | Very low | 162 Ų | 162 | 112 Ų | 112 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | trans | -114.6 | 157.8 | 156.3 | -98.1 | 85 | 0 | 0 | 0 | 111 | Y1576 | Y1576-L1578 PolarHBondContact O-N 2.88Š| ||
| 1579 | P | 32.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 108.9 Ų | 108.9 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | trans | -73.4 | 150.4 | -169.3 | -19 | 34.2 | 0 | 0 | 0 | 115.2 | S1581 | P1579-S1581 PolarHBondContact O-N 3.17Š| ||
| 1580 | S | 27.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 107.6 Ų | 107.6 | 92% | 0.923 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 61.6 | -170.9 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1581 | S | 32.5 | Very low | 41.2 | Very low | 94 Ų | 94 | 106.5 Ų | 106.5 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -8.2 | 174.7 | 65 | 0 | 0 | 0 | 0 | 115.9 | P1579 | P1579-S1581 PolarHBondContact O-N 3.17Š|
| 1582 | F | 27.9 | Very low | 43.4 | Very low | 193 Ų | 193 | 100.9 Ų | 100.9 | 85% | 0.846 | 59% | 0.594 | S | S | * | * | trans | -128.3 | 85.6 | 173.6 | -73.6 | -86.1 | 0 | 0 | 0 | 110.1 | P1584 | F1582-P1584 WeakPolarHBondContact O-CD 3.31Š| ||
| 1583 | A | 24.9 | Very low | 45.8 | Very low | 96 Ų | 96 | 96.4 Ų | 96.4 | 79% | 0.793 | 56% | 0.563 | S | S | * | * | trans | -79.1 | 115.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | V1585 | A1583-V1585 PolarHBondContact O-N 3.29Š| ||
| 1584 | P | 27.5 | Very low | 48.1 | Very low | 113 Ų | 113 | 91.9 Ų | 91.9 | 73% | 0.734 | 53% | 0.531 | S | S | * | . | trans | -65.9 | 132.5 | 175.1 | 27.7 | -33.4 | 0 | 0 | 0 | 109.6 | F1582 R1586 | F1582-P1584 WeakPolarHBondContact O-CD 3.31Å; P1584-R1586 PolarHBondContact O-N 3.11Å | ||
| 1585 | V | 34.7 | Very low | 50.7 | Low | 117 Ų | 117 | 88.3 Ų | 88.3 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | trans | -57.9 | 130.2 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | A1583 S1587 | A1583-V1585 PolarHBondContact O-N 3.29Å; V1585-S1587 PolarHBondContact O-N 2.85Å | ||
| 1586 | R | 40.7 | Very low | 53.1 | Low | 219 Ų | 219 | 81.2 Ų | 81.2 | 83% | 0.826 | 47% | 0.469 | S | S | * | . | trans | -72.5 | 76.8 | 179.9 | -68.9 | -176.4 | 178 | -177.9 | -1 | 110.4 | P1584 T1588 | P1584-R1586 PolarHBondContact O-N 3.11Å; R1586-T1588 PolarHBondContact O-N 3.25Å; R1586-T1588 VanDerWaalsContact O-N 3.14Å | ||
| 1587 | S | 50.9 | Low | 54.9 | Low | 76 Ų | 76 | 71.3 Ų | 71.3 | 53% | 0.531 | 43% | 0.431 | S | S | . | . | trans | -55.3 | 119.5 | 162.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | A1565 V1585 G1589 | A1565-S1587 VanDerWaalsContact CB-O 3.28Å; A1565-S1587 WeakPolarHBondContact CB-O 3.32Å; V1585-S1587 PolarHBondContact O-N 2.85Å; S1587-G1589 VanDerWaalsContact C-N 3.3Å | ||
| 1588 | T | 62.2 | Low | 56.3 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 28% | 0.276 | 42% | 0.416 | S | S | . | . | trans | -81.5 | -13.8 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | T1500 W1557 R1586 C1590 | T1500-T1588 WeakPolarHBondContact CG2-O 3.42Å; W1557-T1588 VanDerWaalsContact CZ3-O 3.25Å; W1557-T1588 WeakPolarHBondContact CZ3-O 3.33Å; R1586-T1588 PolarHBondContact O-N 3.25Å; R1586-T1588 VanDerWaalsContact O-N 3.14Å; T1588-C1590 VanDerWaalsContact C-N 3.27Å; T1588-C1590 WeakPolarHBondContact OG1-CB 3.48Å; T1588-C1590 PolarHBondContact OG1-N 2.7Å | ||
| 1589 | G | 72.3 | Confident | 57.8 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 84.7 | -7.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114 | W1557 D1558 S1587 | W1557-G1589 CarbonylContact C-O 3.54Å; W1557-G1589 VanDerWaalsContact CA-O 3.24Å; W1557-G1589 WeakPolarHBondContact CA-O 3.36Å; D1558-G1589 PolarHBondContact N-O 3.26Å; S1587-G1589 VanDerWaalsContact C-N 3.3Å |
| 1590 | C | 81.9 | Confident | 59 | Low | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 119.3 | 172 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | W1557 T1588 A1592 V1691 | W1557-C1590 HydrophobicContact CD2-CB 3.83Å; W1557-C1590 HydrophobicContact CE3-CB 3.78Å; W1557-C1590 VanDerWaalsContact CE3-N 3.34Å; W1557-C1590 HydrophobicContact CH2-CB 3.82Å; W1557-C1590 HydrophobicContact CZ2-CB 3.88Å; W1557-C1590 HydrophobicContact CZ3-CB 3.78Å; T1588-C1590 VanDerWaalsContact C-N 3.27Å; T1588-C1590 WeakPolarHBondContact OG1-CB 3.48Å; T1588-C1590 PolarHBondContact OG1-N 2.7Å; C1590-A1592 PolarHBondContact SG-O 3.05Å; C1590-V1691 HydrophobicContact CB-CG2 4.31Å |
| 1591 | L | 83.3 | Confident | 60.8 | Low | 30 Ų | 30 | 65.8 Ų | 65.8 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -38 | 175.2 | -65.1 | -174.7 | 0 | 0 | 0 | 112.2 | L1543 I1556 D1558 L1642 Y1692 | L1543-L1591 HydrophobicContact CD2-CD1 3.86Å; I1556-L1591 PolarHBondContact O-N 3.3Å; D1558-L1591 HydrophobicContact CB-CD1 3.77Å; D1558-L1591 HydrophobicContact CB-CD2 4.44Å; D1558-L1591 HydrophobicContact CB-CG 3.99Å; L1591-L1642 HydrophobicContact CD1-CD2 4.35Å; L1591-Y1692 PolarHBondContact O-N 3.05Å |
| 1592 | A | 86.2 | Confident | 62.3 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1555 I1556 C1590 L1642 F1659 Y1692 | T1555-A1592 CarbonylContact C-O 3.55Å; T1555-A1592 VanDerWaalsContact CA-O 3.29Å; T1555-A1592 WeakPolarHBondContact CA-O 3.25Å; I1556-A1592 HydrophobicContact CB-CB 4.21Å; I1556-A1592 HydrophobicContact CD1-CB 4.32Å; I1556-A1592 HydrophobicContact CG1-CB 4.36Å; I1556-A1592 PolarHBondContact N-O 3.11Å; I1556-A1592 PolarHBondContact O-N 2.77Å; I1556-A1592 VanDerWaalsContact O-N 3.08Å; C1590-A1592 PolarHBondContact SG-O 3.05Å; A1592-L1642 HydrophobicContact CB-CD1 3.9Å; A1592-F1659 HydrophobicContact CB-CD1 3.95Å; A1592-F1659 HydrophobicContact CB-CE1 3.74Å; A1592-Y1692 CarbonylContact C-O 3.52Å; A1592-Y1692 WeakPolarHBondContact CA-O 3.38Å; A1592-Y1692 HydrophobicContact CB-CD1 4.37Å; A1592-Y1692 VanDerWaalsContact CB-O 3.28Å; A1592-Y1692 WeakPolarHBondContact CB-O 3.48Å |
| 1593 | S | 88 | Confident | 64.1 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.2 | 179.5 | 161.9 | 0 | 0 | 0 | 0 | 111.2 | E1553 V1554 Y1692 I1693 L1694 | E1553-S1593 PolarHBondContact OE1-OG 2.88Å; V1554-S1593 CarbonylContact O-C 3.54Å; V1554-S1593 WeakPolarHBondContact O-CA 3.42Å; S1593-Y1692 PolarHBondContact N-O 3.13Å; S1593-I1693 WeakPolarHBondContact O-CA 3.44Å; S1593-L1694 PolarHBondContact O-N 3.14Å |
| 1594 | T | 89.6 | Confident | 65.9 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.2 | 169 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | E1553 V1554 W1657 F1659 L1694 | E1553-T1594 VanDerWaalsContact CA-O 3.32Å; E1553-T1594 WeakPolarHBondContact CA-O 3.48Å; E1553-T1594 WeakPolarHBondContact CB-O 3.46Å; V1554-T1594 HydrophobicContact CB-CG2 4.28Å; V1554-T1594 PolarHBondContact N-OG1 3.22Å; V1554-T1594 PolarHBondContact O-N 3.13Å; T1594-W1657 HydrophobicContact CG2-CB 4.29Å; T1594-W1657 HydrophobicContact CG2-CD2 3.72Å; T1594-W1657 HydrophobicContact CG2-CE3 4.29Å; T1594-W1657 HydrophobicContact CG2-CG 3.74Å; T1594-W1657 HydrophobicContact CG2-CZ2 4.33Å; T1594-F1659 HydrophobicContact CG2-CE1 4.11Å; T1594-F1659 HydrophobicContact CG2-CE2 4.29Å; T1594-F1659 HydrophobicContact CG2-CZ 3.44Å; T1594-F1659 VanDerWaalsContact CG2-CZ 3.44Å; T1594-L1694 CarbonylContact C-O 3.34Å; T1594-L1694 WeakPolarHBondContact CA-O 3.19Å |
| 1595 | W | 85.3 | Confident | 67.8 | Low | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 111.8 | 178.8 | -176.3 | -97.4 | 0 | 0 | 0 | 111.3 | Y1504 H1551 Q1597 P1603 L1610 I1693 L1694 I1695 E1696 | Y1504-W1595 HydrophobicContact CE1-CZ3 4.35Å; H1551-W1595 HydrophobicContact CB-CE3 4.23Å; H1551-W1595 HydrophobicContact CB-CZ3 3.99Å; H1551-W1595 AromaticContact CD2-CZ3 3.72Å; H1551-W1595 AromaticContact CG-CZ3 3.75Å; W1595-Q1597 HydrophobicContact CD2-CG 4.42Å; W1595-Q1597 HydrophobicContact CH2-CG 4.42Å; W1595-Q1597 HydrophobicContact CZ2-CB 4Å; W1595-Q1597 HydrophobicContact CZ2-CG 4.06Å; W1595-P1603 HydrophobicContact CB-CB 4.06Å; W1595-P1603 HydrophobicContact CD2-CB 3.62Å; W1595-P1603 HydrophobicContact CE3-CB 3.71Å; W1595-P1603 HydrophobicContact CG-CB 3.8Å; W1595-P1603 HydrophobicContact CZ3-CB 4.34Å; W1595-L1610 HydrophobicContact CH2-CD1 3.99Å; W1595-L1610 HydrophobicContact CZ2-CD1 4.04Å; W1595-I1693 HydrophobicContact CB-CG2 4.08Å; W1595-L1694 PolarHBondContact N-O 2.9Å; W1595-I1695 HydrophobicContact CB-CG1 4.2Å; W1595-I1695 WeakPolarHBondContact O-CA 3.5Å; W1595-E1696 PolarHBondContact O-N 2.81Å |
| 1596 | A | 78.6 | Confident | 69 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | trans | -121 | 55.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1552 W1657 E1696 | N1552-A1596 HydrophobicContact CB-CB 3.83Å; A1596-W1657 HydrophobicContact CB-CH2 3.94Å; A1596-W1657 HydrophobicContact CB-CZ2 3.95Å; A1596-E1696 HydrophobicContact CB-CB 4.31Å; A1596-E1696 VanDerWaalsContact CB-OE2 3.27Å; A1596-E1696 WeakPolarHBondContact CB-OE2 3.28Å | ||
| 1597 | Q | 70.2 | Confident | 70 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | trans | -120.5 | 132.5 | 179 | -63.3 | -60.9 | -60.7 | 0 | 0 | 111.6 | H1551 W1595 L1610 | H1551-Q1597 VanDerWaalsContact CA-NE2 3.32Å; H1551-Q1597 HydrophobicContact CB-CG 3.93Å; H1551-Q1597 PolarHBondContact O-NE2 3.42Å; W1595-Q1597 HydrophobicContact CD2-CG 4.42Å; W1595-Q1597 HydrophobicContact CH2-CG 4.42Å; W1595-Q1597 HydrophobicContact CZ2-CB 4Å; W1595-Q1597 HydrophobicContact CZ2-CG 4.06Å; Q1597-L1610 HydrophobicContact CG-CD1 4.24Å | ||
| 1598 | P | 57.8 | Low | 70.6 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -74.5 | 134.6 | -179.8 | 30.1 | -34.4 | 0 | 0 | 0 | 112.4 | T1698 | P1598-T1698 HydrophobicContact CB-CG2 4.29Š|
| 1599 | G | 60.3 | Low | 70.7 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 111.1 | 167.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1601 | G1599-K1601 PolarHBondContact O-N 3.49Š|
| 1600 | N | 56.5 | Low | 70.2 | Confident | 155 Ų | 155 | 47.4 Ų | 47.4 | 83% | 0.829 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -77 | 36.1 | -175 | -70.9 | -10 | 0 | 0 | 0 | 114.1 | ||
| 1601 | K | 65.4 | Low | 69.3 | Low | 85 Ų | 85 | 50.3 Ų | 50.3 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 144.7 | 176 | -67 | -169.7 | -179.8 | -174.4 | 0 | 111.1 | G1599 D1607 S1609 L1610 | G1599-K1601 PolarHBondContact O-N 3.49Å; K1601-D1607 WeakPolarHBondContact CD-OD2 3.22Å; K1601-D1607 VanDerWaalsContact CE-OD2 3.31Å; K1601-D1607 WeakPolarHBondContact CE-OD2 3.26Å; K1601-D1607 IonicContact NZ-OD1 3.84Å; K1601-D1607 IonicContact NZ-OD2 2.65Å; K1601-D1607 PolarHBondContact NZ-OD2 3.21Å; K1601-S1609 PolarHBondContact NZ-OG 2.98Å; K1601-L1610 HydrophobicContact CD-CD1 4.21Å; K1601-L1610 HydrophobicContact CD-CD2 4.11Å; K1601-L1610 HydrophobicContact CD-CG 4.27Å |
| 1602 | T | 63.1 | Low | 68.6 | Low | 87 Ų | 87 | 54.6 Ų | 54.6 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 131.3 | 178.9 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | I1605 | T1602-I1605 WeakPolarHBondContact OG1-CD1 3.2Š|
| 1603 | P | 65.8 | Low | 68.3 | Low | 12 Ų | 12 | 58.8 Ų | 58.8 | 8% | 0.078 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 169.4 | 172.1 | 32.6 | -37.3 | 0 | 0 | 0 | 112.1 | W1595 I1605 I1686 I1693 I1695 | W1595-P1603 HydrophobicContact CB-CB 4.06Å; W1595-P1603 HydrophobicContact CD2-CB 3.62Å; W1595-P1603 HydrophobicContact CE3-CB 3.71Å; W1595-P1603 HydrophobicContact CG-CB 3.8Å; W1595-P1603 HydrophobicContact CZ3-CB 4.34Å; P1603-I1605 PolarHBondContact O-N 3.32Å; P1603-I1686 HydrophobicContact CG-CD1 3.99Å; P1603-I1693 HydrophobicContact CB-CD1 3.9Å; P1603-I1693 HydrophobicContact CB-CG2 4.06Å; P1603-I1693 HydrophobicContact CG-CD1 3.66Å; P1603-I1693 HydrophobicContact CG-CG2 4.12Å; P1603-I1695 HydrophobicContact CG-CD1 4.34Å |
| 1604 | L | 64.4 | Low | 68.2 | Low | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 11.1 | -173.3 | -58.9 | -176.2 | 0 | 0 | 0 | 115.9 | P1503 Y1504 V1688 V1691 I1693 | P1503-L1604 HydrophobicContact CB-CD2 4.41Å; P1503-L1604 HydrophobicContact CG-CD2 4.5Å; Y1504-L1604 HydrophobicContact CD2-CD2 4.49Å; Y1504-L1604 HydrophobicContact CE2-CD2 3.65Å; Y1504-L1604 PolarHBondContact OH-N 3.42Å; L1604-V1688 HydrophobicContact CD1-CB 4.11Å; L1604-V1688 HydrophobicContact CD1-CG1 4.13Å; L1604-V1691 HydrophobicContact CD1-CB 4.2Å; L1604-V1691 HydrophobicContact CD1-CG2 4.29Å; L1604-I1693 HydrophobicContact CD1-CD1 3.8Å; L1604-I1693 HydrophobicContact CD2-CD1 4.45Å; L1604-I1693 HydrophobicContact CG-CD1 3.66Å |
| 1605 | I | 65.7 | Low | 68.3 | Low | 100 Ų | 100 | 59.1 Ų | 59.1 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -112.1 | 123.1 | 170.6 | -74 | 167.2 | 0 | 0 | 0 | 108.8 | T1602 P1603 D1607 | T1602-I1605 WeakPolarHBondContact OG1-CD1 3.2Å; P1603-I1605 PolarHBondContact O-N 3.32Å; I1605-D1607 PolarHBondContact O-N 3.2Å; I1605-D1607 VanDerWaalsContact O-N 3.13Å |
| 1606 | L | 60.2 | Low | 68.5 | Low | 81 Ų | 81 | 62.6 Ų | 62.6 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | trans | -73.8 | 101.2 | 179.9 | -172.9 | 66.1 | 0 | 0 | 0 | 110.1 | Y1504 I1508 | Y1504-L1606 HydrophobicContact CD1-CB 3.98Å; Y1504-L1606 HydrophobicContact CD1-CD1 4.22Å; I1508-L1606 HydrophobicContact CD1-CD1 4.41Å; I1508-L1606 HydrophobicContact CG1-CD1 4.49Å | ||
| 1607 | D | 62 | Low | 69.1 | Low | 47 Ų | 47 | 62.4 Ų | 62.4 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | trans | -110.5 | 103.9 | 179.4 | -175.3 | -15.1 | 0 | 0 | 0 | 111 | K1601 I1605 S1609 L1610 | K1601-D1607 WeakPolarHBondContact CD-OD2 3.22Å; K1601-D1607 VanDerWaalsContact CE-OD2 3.31Å; K1601-D1607 WeakPolarHBondContact CE-OD2 3.26Å; K1601-D1607 IonicContact NZ-OD1 3.84Å; K1601-D1607 IonicContact NZ-OD2 2.65Å; K1601-D1607 PolarHBondContact NZ-OD2 3.21Å; I1605-D1607 PolarHBondContact O-N 3.2Å; I1605-D1607 VanDerWaalsContact O-N 3.13Å; D1607-S1609 VanDerWaalsContact CG-OG 3.27Å; D1607-S1609 PolarHBondContact O-N 3.02Å; D1607-S1609 VanDerWaalsContact O-N 3.14Å; D1607-S1609 VanDerWaalsContact OD1-CB 3.28Å; D1607-S1609 WeakPolarHBondContact OD1-CB 3.49Å; D1607-S1609 PolarHBondContact OD1-N 3.32Å; D1607-S1609 PolarHBondContact OD1-OG 3.03Å; D1607-S1609 PolarHBondContact OD2-OG 2.94Å; D1607-L1610 HydrophobicContact CB-CD1 4.14Å; D1607-L1610 HydrophobicContact CB-CG 4.42Å; D1607-L1610 WeakPolarHBondContact O-CB 3.37Å; D1607-L1610 PolarHBondContact O-N 3.32Å; D1607-L1610 VanDerWaalsContact O-N 3.13Å | ||
| 1608 | S | 64.1 | Low | 70.2 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 79% | 0.79 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -2.9 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1609 | S | 64.5 | Low | 71.6 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.8 | 170.1 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | K1601 D1607 | K1601-S1609 PolarHBondContact NZ-OG 2.98Å; D1607-S1609 VanDerWaalsContact CG-OG 3.27Å; D1607-S1609 PolarHBondContact O-N 3.02Å; D1607-S1609 VanDerWaalsContact O-N 3.14Å; D1607-S1609 VanDerWaalsContact OD1-CB 3.28Å; D1607-S1609 WeakPolarHBondContact OD1-CB 3.49Å; D1607-S1609 PolarHBondContact OD1-N 3.32Å; D1607-S1609 PolarHBondContact OD1-OG 3.03Å; D1607-S1609 PolarHBondContact OD2-OG 2.94Å |
| 1610 | L | 61.6 | Low | 72.7 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -85 | 147 | 175.5 | -71.4 | 171.3 | 0 | 0 | 0 | 111.8 | W1595 Q1597 K1601 D1607 H1612 | W1595-L1610 HydrophobicContact CH2-CD1 3.99Å; W1595-L1610 HydrophobicContact CZ2-CD1 4.04Å; Q1597-L1610 HydrophobicContact CG-CD1 4.24Å; K1601-L1610 HydrophobicContact CD-CD1 4.21Å; K1601-L1610 HydrophobicContact CD-CD2 4.11Å; K1601-L1610 HydrophobicContact CD-CG 4.27Å; D1607-L1610 HydrophobicContact CB-CD1 4.14Å; D1607-L1610 HydrophobicContact CB-CG 4.42Å; D1607-L1610 WeakPolarHBondContact O-CB 3.37Å; D1607-L1610 PolarHBondContact O-N 3.32Å; D1607-L1610 VanDerWaalsContact O-N 3.13Å; L1610-H1612 PolarHBondContact O-N 2.78Å |
| 1611 | P | 63.8 | Low | 73.6 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | trans | -69 | 132.6 | 179.9 | 28.4 | -34.4 | 0 | 0 | 0 | 111.6 | R1613 | P1611-R1613 HydrophobicContact CB-CG 4.46Å; P1611-R1613 HydrophobicContact CG-CG 4.42Å; P1611-R1613 PolarHBondContact O-N 3.33Å | ||
| 1612 | H | 67 | Low | 73.1 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 56% | 0.556 | 26% | 0.255 | S | S | * | . | trans | -65.2 | 88.2 | 175 | -62.5 | -69.3 | 0 | 0 | 0 | 112 | H1550 L1610 N1650 | H1550-H1612 AromaticContact CE1-CE1 2.91Å; H1550-H1612 PolarHBondContact CE1-CE1 2.94Å; H1550-H1612 AromaticContact CE1-ND1 3.16Å; H1550-H1612 PolarHBondContact CE1-ND1 2.82Å; H1550-H1612 AromaticContact ND1-CE1 3.57Å; H1550-H1612 AromaticContact ND1-ND1 3.07Å; H1550-H1612 PolarHBondContact ND1-ND1 2.8Å; L1610-H1612 PolarHBondContact O-N 2.78Å; H1612-N1650 PolarHBondContact O-ND2 3.16Å | ||
| 1613 | R | 79.9 | Confident | 72.7 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | trans | -102.8 | 111.7 | 173.7 | -60.8 | -175.8 | 177.3 | -130.4 | -7.9 | 108.9 | H1550 H1551 N1552 P1611 D1651 | H1550-R1613 CarbonylContact C-O 3.54Å; H1551-R1613 PolarHBondContact N-O 3.01Å; N1552-R1613 PolarHBondContact N-O 3.07Å; N1552-R1613 WeakPolarHBondContact OD1-CB 3.17Å; P1611-R1613 HydrophobicContact CB-CG 4.46Å; P1611-R1613 HydrophobicContact CG-CG 4.42Å; P1611-R1613 PolarHBondContact O-N 3.33Å; R1613-D1651 IonicContact NH1-OD2 2.61Å; R1613-D1651 PolarHBondContact NH1-OD2 3.03Å | ||
| 1614 | S | 86.7 | Confident | 71.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -93.8 | 139.2 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | T1548 D1549 G1649 N1650 | T1548-S1614 WeakPolarHBondContact O-CA 3.36Å; D1549-S1614 VanDerWaalsContact CA-CB 3.42Å; S1614-G1649 CarbonylContact O-C 3.52Å; S1614-G1649 VanDerWaalsContact O-CA 3.24Å; S1614-G1649 WeakPolarHBondContact O-CA 3.13Å; S1614-N1650 PolarHBondContact N-ND2 2.91Å; S1614-N1650 PolarHBondContact O-N 2.8Å; S1614-N1650 PolarHBondContact OG-ND2 2.83Å; S1614-N1650 VanDerWaalsContact OG-ND2 3.11Å; S1614-N1650 PolarHBondContact OG-OD1 2.8Å | ||
| 1615 | V | 90.7 | Very high | 70.4 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.1 | 158 | -171.9 | 0 | 0 | 0 | 0 | 107.5 | A1547 T1548 N1552 V1554 I1618 A1647 | A1547-V1615 HydrophobicContact CB-CB 4.03Å; A1547-V1615 HydrophobicContact CB-CG1 3.93Å; T1548-V1615 PolarHBondContact O-N 2.91Å; N1552-V1615 HydrophobicContact CB-CG2 4.4Å; N1552-V1615 WeakPolarHBondContact O-CG2 3.49Å; V1554-V1615 HydrophobicContact CG2-CB 4.46Å; V1554-V1615 HydrophobicContact CG2-CG1 4.1Å; V1554-V1615 HydrophobicContact CG2-CG2 4.04Å; V1615-I1618 HydrophobicContact CG1-CG2 3.82Å; V1615-A1647 HydrophobicContact CG1-CB 3.96Å |
| 1616 | R | 90.6 | Very high | 68.7 | Low | 77 Ų | 77 | 52.7 Ų | 52.7 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -25.4 | -177.8 | -76.3 | -153.8 | 160 | 118.9 | 12.3 | 114.1 | L1511 G1648 N1650 I1755 I1756 M1774 | L1511-R1616 HydrophobicContact CD1-CG 4.01Å; R1616-G1648 PolarHBondContact N-O 3Å; R1616-N1650 PolarHBondContact NH1-OD1 3.35Å; R1616-I1755 VanDerWaalsContact NH1-CG2 3.3Å; R1616-I1756 WeakPolarHBondContact CB-O 3.36Å; R1616-M1774 VanDerWaalsContact NH1-CE 3.33Å; R1616-M1774 PolarHBondContact NH1-SD 2.91Å |
| 1617 | S | 91.1 | Very high | 67.4 | Low | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.2 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | G1648 D1758 L1759 | S1617-G1648 PolarHBondContact N-O 3.08Å; S1617-G1648 PolarHBondContact O-N 2.77Å; S1617-D1758 PolarHBondContact OG-OD1 3.22Å; S1617-L1759 WeakPolarHBondContact O-CD1 3.45Å; S1617-L1759 WeakPolarHBondContact OG-CB 3.36Å; S1617-L1759 PolarHBondContact OG-N 2.85Å |
| 1618 | I | 92.7 | Very high | 65.7 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 159.2 | -176.5 | 43.3 | 167.4 | 0 | 0 | 0 | 109.4 | D1512 Q1514 I1545 A1547 V1554 V1615 I1645 V1646 A1647 | D1512-I1618 HydrophobicContact CB-CG1 4.4Å; Q1514-I1618 HydrophobicContact CB-CD1 4.32Å; Q1514-I1618 HydrophobicContact CG-CD1 4.24Å; Q1514-I1618 HydrophobicContact CG-CG1 4.31Å; Q1514-I1618 PolarHBondContact NE2-O 2.79Å; I1545-I1618 HydrophobicContact CB-CD1 4.22Å; I1545-I1618 HydrophobicContact CG2-CD1 3.69Å; I1545-I1618 VanDerWaalsContact O-CD1 3.3Å; I1545-I1618 WeakPolarHBondContact O-CD1 3.41Å; A1547-I1618 HydrophobicContact CB-CD1 4.25Å; A1547-I1618 HydrophobicContact CB-CG1 4.15Å; A1547-I1618 HydrophobicContact CB-CG2 3.82Å; V1554-I1618 HydrophobicContact CG1-CG2 4.11Å; V1554-I1618 HydrophobicContact CG2-CG2 3.77Å; V1615-I1618 HydrophobicContact CG1-CG2 3.82Å; I1618-I1645 HydrophobicContact CB-CG2 4.44Å; I1618-I1645 HydrophobicContact CG2-CG2 4.36Å; I1618-V1646 CarbonylContact C-O 3.53Å; I1618-V1646 WeakPolarHBondContact CA-O 3.22Å; I1618-A1647 HydrophobicContact CG2-CB 4.37Å |
| 1619 | L | 87.6 | Confident | 64.2 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 104.6 | 176.2 | 173.3 | 75.3 | 0 | 0 | 0 | 109 | F1410 L1621 I1645 V1646 V1761 L1769 | F1410-L1619 HydrophobicContact CZ-CD1 4.03Å; L1619-L1621 HydrophobicContact CD2-CD2 4.06Å; L1619-L1621 HydrophobicContact CG-CD2 4.38Å; L1619-I1645 CarbonylContact O-C 3.55Å; L1619-I1645 WeakPolarHBondContact O-CA 3.48Å; L1619-V1646 HydrophobicContact CB-CB 4.23Å; L1619-V1646 HydrophobicContact CD2-CB 4.33Å; L1619-V1646 HydrophobicContact CD2-CG2 4.44Å; L1619-V1646 PolarHBondContact N-O 2.89Å; L1619-V1646 PolarHBondContact O-N 3.02Å; L1619-V1761 HydrophobicContact CD1-CG2 3.72Å; L1619-V1761 HydrophobicContact CD2-CG2 3.33Å; L1619-V1761 HydrophobicContact CG-CG2 4.09Å; L1619-L1769 HydrophobicContact CD2-CD1 3.65Å |
| 1620 | C | 83.3 | Confident | 62.7 | Low | 13 Ų | 13 | 64.1 Ų | 64.1 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.3 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F1410 A1516 I1545 P1643 | F1410-C1620 WeakPolarHBondContact CE2-O 3.29Å; F1410-C1620 WeakPolarHBondContact CZ-O 2.57Å; A1516-C1620 VanDerWaalsContact CB-SG 3.58Å; I1545-C1620 HydrophobicContact CD1-CB 3.57Å; I1545-C1620 VanDerWaalsContact CD1-SG 3.56Å; C1620-P1643 WeakPolarHBondContact SG-CB 3.27Å |
| 1621 | L | 74.5 | Confident | 61.2 | Low | 11 Ų | 11 | 72.2 Ų | 72.2 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.8 | 178.9 | -62.1 | 163 | 0 | 0 | 0 | 110.4 | W1236 L1619 A1644 V1646 Y1656 | W1236-L1621 HydrophobicContact CH2-CD1 4.32Å; W1236-L1621 HydrophobicContact CH2-CD2 3.66Å; W1236-L1621 HydrophobicContact CZ3-CD1 3.66Å; W1236-L1621 HydrophobicContact CZ3-CD2 3.62Å; W1236-L1621 HydrophobicContact CZ3-CG 4.27Å; L1619-L1621 HydrophobicContact CD2-CD2 4.06Å; L1619-L1621 HydrophobicContact CG-CD2 4.38Å; L1621-A1644 HydrophobicContact CD1-CB 4.22Å; L1621-A1644 PolarHBondContact N-O 3.13Å; L1621-V1646 HydrophobicContact CD1-CG2 3.9Å; L1621-V1646 HydrophobicContact CG-CG2 4.4Å; L1621-Y1656 HydrophobicContact CD1-CD2 3.98Å; L1621-Y1656 HydrophobicContact CD1-CE2 3.65Å |
| 1622 | P | 56.6 | Low | 59.7 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 140.9 | -176.5 | 29 | -34.8 | 0 | 0 | 0 | 112.3 | I1235 F1410 L1416 N1624 | I1235-P1622 HydrophobicContact CD1-CG 3.38Å; I1235-P1622 HydrophobicContact CG1-CG 4.46Å; F1410-P1622 HydrophobicContact CD1-CG 4.19Å; F1410-P1622 HydrophobicContact CE1-CG 4.08Å; F1410-P1622 HydrophobicContact CZ-CG 4.46Å; L1416-P1622 HydrophobicContact CD1-CB 4.34Å; L1416-P1622 HydrophobicContact CG-CB 4.44Å; P1622-N1624 PolarHBondContact O-N 2.97Å; P1622-N1624 PolarHBondContact O-ND2 2.84Å |
| 1623 | N | 53.8 | Low | 57.9 | Low | 43 Ų | 43 | 81.1 Ų | 81.1 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | trans | -77.9 | 86.6 | -171.9 | -69.3 | -33.4 | 0 | 0 | 0 | 112.6 | S1625 R1660 | N1623-S1625 PolarHBondContact O-N 3.3Å; N1623-R1660 PolarHBondContact ND2-NH2 2.65Å; N1623-R1660 VanDerWaalsContact ND2-NH2 3.1Å; N1623-R1660 PolarHBondContact OD1-NH1 2.82Å; N1623-R1660 PolarHBondContact OD1-NH2 2.96Å | ||
| 1624 | N | 42.6 | Very low | 55.6 | Low | 72 Ų | 72 | 87 Ų | 87 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | trans | -86.2 | 82.5 | 174.4 | -63.9 | -58.6 | 0 | 0 | 0 | 111.8 | P1234 P1622 | P1234-N1624 HydrophobicContact CB-CB 3.77Å; P1622-N1624 PolarHBondContact O-N 2.97Å; P1622-N1624 PolarHBondContact O-ND2 2.84Å | ||
| 1625 | S | 40.1 | Very low | 53 | Low | 89 Ų | 89 | 94.2 Ų | 94.2 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | trans | -177.3 | 122.6 | 152 | 23.8 | 0 | 0 | 0 | 0 | 112.7 | N1623 M1627 | N1623-S1625 PolarHBondContact O-N 3.3Å; S1625-M1627 VanDerWaalsContact C-N 3.33Å; S1625-M1627 PolarHBondContact O-N 2.97Å | ||
| 1626 | V | 29.8 | Very low | 50.7 | Low | 153 Ų | 153 | 99 Ų | 99 | 93% | 0.927 | 49% | 0.488 | S | S | * | . | trans | -86.8 | 82.5 | 154.2 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1627 | M | 31.7 | Very low | 48.6 | Very low | 143 Ų | 143 | 99.3 Ų | 99.3 | 70% | 0.704 | 50% | 0.502 | S | S | * | . | trans | -112 | 131.4 | 176.2 | -86.6 | -76.8 | 166 | 0 | 0 | 109.8 | S1625 F1629 | S1625-M1627 VanDerWaalsContact C-N 3.33Å; S1625-M1627 PolarHBondContact O-N 2.97Å; M1627-F1629 PolarHBondContact O-N 3.05Å | ||
| 1628 | Q | 27.9 | Very low | 46.8 | Very low | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | trans | -75.6 | 108.3 | 179.2 | -76.6 | 155.4 | 2.3 | 0 | 0 | 109.7 | T579 N1630 | T579-Q1628 VanDerWaalsContact OG1-CD 3.28Å; T579-Q1628 PolarHBondContact OG1-NE2 2.65Å; T579-Q1628 PolarHBondContact OG1-OE1 3.18Å; Q1628-N1630 PolarHBondContact O-N 3.46Å | ||
| 1629 | F | 32.3 | Very low | 45.1 | Very low | 161 Ų | 161 | 105.1 Ų | 105.1 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | trans | -80.3 | 106 | 161.6 | -80.2 | -89.8 | 0 | 0 | 0 | 108.1 | M1627 | M1627-F1629 PolarHBondContact O-N 3.05Š| ||
| 1630 | N | 31.6 | Very low | 43.6 | Very low | 140 Ų | 140 | 108.2 Ų | 108.2 | 75% | 0.749 | 55% | 0.549 | S | S | * | . | trans | -63 | 139.9 | 174 | -72.2 | -0.3 | 0 | 0 | 0 | 110.4 | Q1628 Y1632 | Q1628-N1630 PolarHBondContact O-N 3.46Å; N1630-Y1632 PolarHBondContact O-N 2.9Å | ||
| 1631 | E | 31.8 | Very low | 42.7 | Very low | 187 Ų | 187 | 110.2 Ų | 110.2 | 87% | 0.874 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -76.5 | 76.7 | -169.8 | -63.5 | -168.1 | 111.9 | 0 | 0 | 114.1 | ||
| 1632 | Y | 31.5 | Very low | 42.7 | Very low | 220 Ų | 220 | 109.9 Ų | 109.9 | 86% | 0.863 | 56% | 0.555 | S | S | * | * | trans | -128.3 | 63.5 | 165.9 | -86.6 | -85.3 | 0 | 0 | 0 | 111.8 | N1630 | N1630-Y1632 PolarHBondContact O-N 2.9Š| ||
| 1633 | N | 29.8 | Very low | 43.7 | Very low | 156 Ų | 156 | 109.1 Ų | 109.1 | 83% | 0.834 | 55% | 0.55 | S | S | * | * | trans | -173.9 | 94.4 | 146.5 | -95.4 | -33 | 0 | 0 | 0 | 111.6 | L1635 | N1633-L1635 VanDerWaalsContact C-N 3.33Å; N1633-L1635 PolarHBondContact O-N 2.88Å | ||
| 1634 | K | 31 | Very low | 45.1 | Very low | 212 Ų | 212 | 107.4 Ų | 107.4 | 92% | 0.922 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 77 | 175.9 | -72.4 | -177.1 | 175.9 | 177.3 | 0 | 111.9 | ||
| 1635 | L | 32.3 | Very low | 47.3 | Very low | 154 Ų | 154 | 104 Ų | 104 | 81% | 0.806 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.3 | -1.5 | 159.8 | -136 | 78 | 0 | 0 | 0 | 116.9 | N1633 | N1633-L1635 VanDerWaalsContact C-N 3.33Å; N1633-L1635 PolarHBondContact O-N 2.88Å |
| 1636 | H | 43 | Very low | 49.7 | Very low | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | trans | -130.2 | 39.9 | -166 | -73.8 | -1.9 | 0 | 0 | 0 | 115.2 | Q1638 Y1687 | H1636-Q1638 VanDerWaalsContact C-N 3.32Å; H1636-Q1638 PolarHBondContact O-N 2.79Å; H1636-Y1687 AromaticContact CE1-CE2 3.58Å; H1636-Y1687 AromaticContact ND1-CE2 3.93Å; H1636-Y1687 AromaticContact NE2-CE2 3.99Å | ||
| 1637 | S | 46 | Very low | 52.7 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 59% | 0.594 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.9 | -173.8 | 53.5 | 0 | 0 | 0 | 0 | 116.1 | T1640 | S1637-T1640 PolarHBondContact O-OG1 3.19Š|
| 1638 | Q | 53.6 | Low | 55.5 | Low | 109 Ų | 109 | 86 Ų | 86 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -30.1 | -175.9 | -69.1 | -180 | -14.5 | 0 | 0 | 114.2 | H1636 | H1636-Q1638 VanDerWaalsContact C-N 3.32Å; H1636-Q1638 PolarHBondContact O-N 2.79Å |
| 1639 | V | 56.6 | Low | 58.5 | Low | 14 Ų | 14 | 80.3 Ų | 80.3 | 9% | 0.085 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -82.7 | -25 | -171 | 164.6 | 0 | 0 | 0 | 0 | 113.3 | H1641 L1642 F1659 Y1687 Y1692 | V1639-H1641 PolarHBondContact O-N 2.85Å; V1639-L1642 HydrophobicContact CB-CD1 4.41Å; V1639-L1642 HydrophobicContact CG1-CD1 4.33Å; V1639-L1642 HydrophobicContact CG2-CD1 4.18Å; V1639-L1642 WeakPolarHBondContact O-CB 3.43Å; V1639-L1642 PolarHBondContact O-N 2.92Å; V1639-L1642 VanDerWaalsContact O-N 3.1Å; V1639-F1659 WeakPolarHBondContact CG1-O 3.45Å; V1639-Y1687 HydrophobicContact CG2-CE1 4.3Å; V1639-Y1687 WeakPolarHBondContact CG2-OH 3.34Å; V1639-Y1692 HydrophobicContact CB-CD1 4.48Å; V1639-Y1692 HydrophobicContact CB-CE1 4.44Å; V1639-Y1692 HydrophobicContact CG1-CD1 3.99Å; V1639-Y1692 HydrophobicContact CG1-CE1 3.54Å; V1639-Y1692 HydrophobicContact CG1-CE2 4.37Å; V1639-Y1692 HydrophobicContact CG2-CD1 3.6Å; V1639-Y1692 HydrophobicContact CG2-CD2 3.78Å; V1639-Y1692 HydrophobicContact CG2-CE1 3.97Å; V1639-Y1692 HydrophobicContact CG2-CE2 4.12Å; V1639-Y1692 HydrophobicContact CG2-CG 3.48Å; V1639-Y1692 VanDerWaalsContact CG2-CG 3.48Å |
| 1640 | T | 56.5 | Low | 61.2 | Low | 67 Ų | 67 | 74.9 Ų | 74.9 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55.2 | -26.9 | -177.9 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | S1637 R1660 | S1637-T1640 PolarHBondContact O-OG1 3.19Å; T1640-R1660 PolarHBondContact O-NE 3.09Å |
| 1641 | H | 64.3 | Low | 63.8 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -93.6 | -12 | -177.4 | -67.7 | -75.3 | 0 | 0 | 0 | 114.6 | V1639 R1660 | V1639-H1641 PolarHBondContact O-N 2.85Å; H1641-R1660 PolarHBondContact O-NH2 2.9Å; H1641-R1660 VanDerWaalsContact O-NH2 3.13Å |
| 1642 | L | 74.7 | Confident | 66.5 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 141.2 | -176.9 | -64.9 | 177.9 | 0 | 0 | 0 | 112.6 | L1543 I1556 L1591 A1592 V1639 F1659 R1660 Y1692 | L1543-L1642 HydrophobicContact CD1-CD2 4.1Å; I1556-L1642 HydrophobicContact CD1-CD2 4.32Å; I1556-L1642 HydrophobicContact CG2-CD2 4.19Å; L1591-L1642 HydrophobicContact CD1-CD2 4.35Å; A1592-L1642 HydrophobicContact CB-CD1 3.9Å; V1639-L1642 HydrophobicContact CB-CD1 4.41Å; V1639-L1642 HydrophobicContact CG1-CD1 4.33Å; V1639-L1642 HydrophobicContact CG2-CD1 4.18Å; V1639-L1642 WeakPolarHBondContact O-CB 3.43Å; V1639-L1642 PolarHBondContact O-N 2.92Å; V1639-L1642 VanDerWaalsContact O-N 3.1Å; L1642-F1659 HydrophobicContact CB-CB 3.71Å; L1642-F1659 HydrophobicContact CB-CG 4.38Å; L1642-F1659 HydrophobicContact CD1-CB 3.93Å; L1642-F1659 HydrophobicContact CD1-CD1 4.18Å; L1642-F1659 HydrophobicContact CD1-CG 4.27Å; L1642-F1659 HydrophobicContact CG-CB 4.49Å; L1642-R1660 PolarHBondContact O-NH1 2.95Å; L1642-R1660 PolarHBondContact O-NH2 2.82Å; L1642-Y1692 HydrophobicContact CD1-CD1 4.19Å |
| 1643 | P | 76.3 | Confident | 69.3 | Low | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 163.9 | 179.6 | 33.1 | -35.5 | 0 | 0 | 0 | 112.7 | L1543 I1545 C1620 F1659 | L1543-P1643 HydrophobicContact CD1-CG 4.4Å; I1545-P1643 HydrophobicContact CD1-CG 4.03Å; C1620-P1643 WeakPolarHBondContact SG-CB 3.27Å; P1643-F1659 WeakPolarHBondContact O-CD2 3.2Å |
| 1644 | A | 83.2 | Confident | 72.2 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 143.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1621 Y1656 W1657 | L1621-A1644 HydrophobicContact CD1-CB 4.22Å; L1621-A1644 PolarHBondContact N-O 3.13Å; A1644-Y1656 HydrophobicContact CB-CE2 3.67Å; A1644-W1657 CarbonylContact C-O 3.43Å; A1644-W1657 VanDerWaalsContact CA-O 3.32Å; A1644-W1657 WeakPolarHBondContact CA-O 3.12Å |
| 1645 | I | 89 | Confident | 75 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.1 | -173 | -60.5 | 171.6 | 0 | 0 | 0 | 110.4 | I1545 V1554 I1556 I1618 L1619 W1657 F1659 | I1545-I1645 HydrophobicContact CD1-CD1 4.01Å; I1545-I1645 HydrophobicContact CD1-CG1 4.35Å; I1545-I1645 HydrophobicContact CG1-CD1 4.29Å; I1545-I1645 HydrophobicContact CG2-CD1 3.57Å; V1554-I1645 HydrophobicContact CG1-CD1 4.16Å; V1554-I1645 HydrophobicContact CG1-CG2 4.47Å; I1556-I1645 HydrophobicContact CD1-CD1 3.7Å; I1556-I1645 HydrophobicContact CG1-CD1 3.96Å; I1618-I1645 HydrophobicContact CB-CG2 4.44Å; I1618-I1645 HydrophobicContact CG2-CG2 4.36Å; L1619-I1645 CarbonylContact O-C 3.55Å; L1619-I1645 WeakPolarHBondContact O-CA 3.48Å; I1645-W1657 PolarHBondContact N-O 2.77Å; I1645-W1657 PolarHBondContact O-N 3.35Å; I1645-F1659 HydrophobicContact CD1-CE2 3.88Å; I1645-F1659 HydrophobicContact CG1-CE2 4.36Å |
| 1646 | V | 90.6 | Very high | 77.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.4 | 163.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | P1241 I1618 L1619 L1621 R1655 Y1656 L1668 L1759 L1769 | P1241-V1646 HydrophobicContact CG-CG2 4.21Å; I1618-V1646 CarbonylContact C-O 3.53Å; I1618-V1646 WeakPolarHBondContact CA-O 3.22Å; L1619-V1646 HydrophobicContact CB-CB 4.23Å; L1619-V1646 HydrophobicContact CD2-CB 4.33Å; L1619-V1646 HydrophobicContact CD2-CG2 4.44Å; L1619-V1646 PolarHBondContact N-O 2.89Å; L1619-V1646 PolarHBondContact O-N 3.02Å; L1621-V1646 HydrophobicContact CD1-CG2 3.9Å; L1621-V1646 HydrophobicContact CG-CG2 4.4Å; V1646-R1655 CarbonylContact C-O 3.55Å; V1646-R1655 VanDerWaalsContact CA-O 3.22Å; V1646-R1655 WeakPolarHBondContact CA-O 3.29Å; V1646-Y1656 HydrophobicContact CG2-CD2 4.28Å; V1646-L1668 HydrophobicContact CG1-CD1 3.89Å; V1646-L1668 HydrophobicContact CG2-CD1 4.2Å; V1646-L1759 HydrophobicContact CG1-CD1 4.23Å; V1646-L1769 HydrophobicContact CG1-CD1 4.33Å; V1646-L1769 HydrophobicContact CG1-CD2 3.93Å |
| 1647 | A | 92.8 | Very high | 80.1 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1554 V1615 I1618 R1655 | V1554-A1647 HydrophobicContact CG2-CB 3.96Å; V1615-A1647 HydrophobicContact CG1-CB 3.96Å; I1618-A1647 HydrophobicContact CG2-CB 4.37Å; A1647-R1655 PolarHBondContact N-O 3.29Å; A1647-R1655 PolarHBondContact O-N 2.95Å |
| 1648 | G | 91.2 | Very high | 82 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1616 S1617 | R1616-G1648 PolarHBondContact N-O 3Å; S1617-G1648 PolarHBondContact N-O 3.08Å; S1617-G1648 PolarHBondContact O-N 2.77Å |
| 1649 | G | 90.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | -149.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1614 D1651 A1652 I1756 | S1614-G1649 CarbonylContact O-C 3.52Å; S1614-G1649 VanDerWaalsContact O-CA 3.24Å; S1614-G1649 WeakPolarHBondContact O-CA 3.13Å; G1649-D1651 PolarHBondContact O-N 3.34Å; G1649-D1651 VanDerWaalsContact O-N 3.12Å; G1649-A1652 PolarHBondContact O-N 3.35Å; G1649-A1652 VanDerWaalsContact O-N 3.14Å; G1649-I1756 PolarHBondContact O-N 3.36Å |
| 1650 | N | 88.5 | Confident | 84.4 | Confident | 47 Ų | 47 | 16.6 Ų | 16.6 | 25% | 0.251 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27 | -168 | -84.9 | -0.5 | 0 | 0 | 0 | 114.7 | H1612 S1614 R1616 | H1612-N1650 PolarHBondContact O-ND2 3.16Å; S1614-N1650 PolarHBondContact N-ND2 2.91Å; S1614-N1650 PolarHBondContact O-N 2.8Å; S1614-N1650 PolarHBondContact OG-ND2 2.83Å; S1614-N1650 VanDerWaalsContact OG-ND2 3.11Å; S1614-N1650 PolarHBondContact OG-OD1 2.8Å; R1616-N1650 PolarHBondContact NH1-OD1 3.35Å |
| 1651 | D | 86.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 17.7 Ų | 17.7 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 13.3 | -177.6 | 70.7 | 2.6 | 0 | 0 | 0 | 114.7 | N1552 R1613 G1649 R1653 R1655 A1671 | N1552-D1651 PolarHBondContact ND2-OD2 3.1Å; R1613-D1651 IonicContact NH1-OD2 2.61Å; R1613-D1651 PolarHBondContact NH1-OD2 3.03Å; G1649-D1651 PolarHBondContact O-N 3.34Å; G1649-D1651 VanDerWaalsContact O-N 3.12Å; D1651-R1653 PolarHBondContact O-N 2.88Å; D1651-R1655 IonicContact OD1-CZ 3.67Å; D1651-R1655 IonicContact OD1-NH1 3.56Å; D1651-R1655 PolarHBondContact OD1-NH1 3.04Å; D1651-R1655 IonicContact OD2-CZ 3.18Å; D1651-R1655 IonicContact OD2-NH1 3.79Å; D1651-R1655 PolarHBondContact OD2-NH1 2.82Å; D1651-R1655 IonicContact OD2-NH2 2.68Å; D1651-R1655 PolarHBondContact OD2-NH2 2.94Å; D1651-A1671 WeakPolarHBondContact O-CB 3.3Å |
| 1652 | A | 89.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 15.7 Ų | 15.7 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | trans | 58.2 | 9.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1649 A1671 H1752 N1754 | G1649-A1652 PolarHBondContact O-N 3.35Å; G1649-A1652 VanDerWaalsContact O-N 3.14Å; A1652-A1671 HydrophobicContact CB-CB 3.92Å; A1652-H1752 HydrophobicContact CB-CB 4.38Å; A1652-N1754 WeakPolarHBondContact CB-O 3.29Å | ||
| 1653 | R | 90.2 | Very high | 86.6 | Confident | 29 Ų | 29 | 21.4 Ų | 21.4 | 11% | 0.109 | 10% | 0.101 | C | C | . | . | trans | -88.6 | 146.9 | 173.4 | -62.3 | 176.2 | -176.3 | 178.2 | 2.3 | 110.8 | D1651 V1667 V1669 A1671 D1674 E1696 | D1651-R1653 PolarHBondContact O-N 2.88Å; R1653-V1667 HydrophobicContact CB-CG1 4.24Å; R1653-V1667 HydrophobicContact CG-CG1 4.38Å; R1653-V1669 WeakPolarHBondContact CA-O 3.18Å; R1653-A1671 HydrophobicContact CG-CB 4.34Å; R1653-D1674 IonicContact CZ-OD2 3.11Å; R1653-D1674 VanDerWaalsContact CZ-OD2 3.22Å; R1653-D1674 IonicContact NE-OD2 2.71Å; R1653-D1674 PolarHBondContact NE-OD2 2.68Å; R1653-D1674 IonicContact NH2-OD2 3.66Å; R1653-D1674 PolarHBondContact NH2-OD2 3.01Å; R1653-E1696 IonicContact NH1-OE1 3.33Å; R1653-E1696 PolarHBondContact NH1-OE1 3.42Å | ||
| 1654 | L | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.1 | 162.2 | -66.4 | 168.3 | 0 | 0 | 0 | 108.8 | V1667 L1668 V1669 I1756 L1759 L1769 W1781 | L1654-V1667 CarbonylContact O-C 3.5Å; L1654-L1668 HydrophobicContact CB-CB 4.2Å; L1654-L1668 HydrophobicContact CB-CD1 4.24Å; L1654-L1668 PolarHBondContact O-N 3.03Å; L1654-V1669 HydrophobicContact CB-CB 3.99Å; L1654-V1669 HydrophobicContact CB-CG2 4.36Å; L1654-V1669 HydrophobicContact CD1-CB 3.96Å; L1654-V1669 HydrophobicContact CD1-CG2 3.79Å; L1654-V1669 HydrophobicContact CG-CB 4.25Å; L1654-V1669 PolarHBondContact N-O 3.26Å; L1654-V1669 PolarHBondContact O-N 3.17Å; L1654-I1756 HydrophobicContact CD2-CD1 3.72Å; L1654-I1756 HydrophobicContact CG-CD1 3.86Å; L1654-L1759 HydrophobicContact CD2-CD1 4.47Å; L1654-L1759 HydrophobicContact CD2-CD2 3.55Å; L1654-L1769 HydrophobicContact CD1-CD2 3.82Å; L1654-L1769 HydrophobicContact CD2-CD2 4.5Å; L1654-W1781 HydrophobicContact CD1-CD2 4.31Å; L1654-W1781 HydrophobicContact CD1-CZ2 4.08Å |
| 1655 | R | 91 | Very high | 87.1 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.6 | 176 | -67.9 | 178.9 | 175.2 | 79.3 | -2.1 | 110.5 | V1646 A1647 D1651 W1657 C1666 V1667 E1696 | V1646-R1655 CarbonylContact C-O 3.55Å; V1646-R1655 VanDerWaalsContact CA-O 3.22Å; V1646-R1655 WeakPolarHBondContact CA-O 3.29Å; A1647-R1655 PolarHBondContact N-O 3.29Å; A1647-R1655 PolarHBondContact O-N 2.95Å; D1651-R1655 IonicContact OD1-CZ 3.67Å; D1651-R1655 IonicContact OD1-NH1 3.56Å; D1651-R1655 PolarHBondContact OD1-NH1 3.04Å; D1651-R1655 IonicContact OD2-CZ 3.18Å; D1651-R1655 IonicContact OD2-NH1 3.79Å; D1651-R1655 PolarHBondContact OD2-NH1 2.82Å; D1651-R1655 IonicContact OD2-NH2 2.68Å; D1651-R1655 PolarHBondContact OD2-NH2 2.94Å; R1655-W1657 HydrophobicContact CB-CZ2 4.47Å; R1655-W1657 VanDerWaalsContact CD-CZ2 3.47Å; R1655-C1666 CarbonylContact C-O 3.33Å; R1655-C1666 WeakPolarHBondContact CA-O 3.43Å; R1655-V1667 HydrophobicContact CG-CG2 4.26Å; R1655-E1696 IonicContact CZ-OE2 3.71Å; R1655-E1696 IonicContact NE-OE2 2.67Å; R1655-E1696 PolarHBondContact NE-OE2 3.15Å; R1655-E1696 IonicContact NH2-OE1 2.69Å; R1655-E1696 IonicContact NH2-OE2 3.63Å; R1655-E1696 PolarHBondContact NH2-OE2 3.17Å |
| 1656 | Y | 91 | Very high | 87.1 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.5 | 168.2 | 170.8 | -105.3 | 0 | 0 | 0 | 108.2 | S1239 R1240 P1241 L1621 A1644 V1646 N1658 D1664 S1665 C1666 L1668 | S1239-Y1656 PolarHBondContact O-OH 3.34Å; S1239-Y1656 VanDerWaalsContact O-OH 3.05Å; R1240-Y1656 HydrophobicContact CB-CD1 4.29Å; R1240-Y1656 HydrophobicContact CB-CE1 3.82Å; R1240-Y1656 HydrophobicContact CB-CE2 4.46Å; P1241-Y1656 HydrophobicContact CG-CD2 4.27Å; L1621-Y1656 HydrophobicContact CD1-CD2 3.98Å; L1621-Y1656 HydrophobicContact CD1-CE2 3.65Å; A1644-Y1656 HydrophobicContact CB-CE2 3.67Å; V1646-Y1656 HydrophobicContact CG2-CD2 4.28Å; Y1656-N1658 HydrophobicContact CE1-CB 3.75Å; Y1656-D1664 WeakPolarHBondContact CD1-O 3.24Å; Y1656-D1664 WeakPolarHBondContact CE1-O 3.21Å; Y1656-S1665 CarbonylContact O-C 3.49Å; Y1656-S1665 VanDerWaalsContact O-CA 3.23Å; Y1656-S1665 WeakPolarHBondContact O-CA 3.28Å; Y1656-S1665 VanDerWaalsContact O-CB 3.31Å; Y1656-S1665 WeakPolarHBondContact O-CB 3.19Å; Y1656-C1666 PolarHBondContact N-O 3.25Å; Y1656-C1666 PolarHBondContact O-N 2.92Å; Y1656-L1668 HydrophobicContact CG-CD2 4.35Å |
| 1657 | W | 89.9 | Confident | 87 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.4 | 179.5 | -60 | 119.5 | 0 | 0 | 0 | 109.1 | T1594 A1596 A1644 I1645 R1655 F1659 Y1683 L1694 E1696 | T1594-W1657 HydrophobicContact CG2-CB 4.29Å; T1594-W1657 HydrophobicContact CG2-CD2 3.72Å; T1594-W1657 HydrophobicContact CG2-CE3 4.29Å; T1594-W1657 HydrophobicContact CG2-CG 3.74Å; T1594-W1657 HydrophobicContact CG2-CZ2 4.33Å; A1596-W1657 HydrophobicContact CB-CH2 3.94Å; A1596-W1657 HydrophobicContact CB-CZ2 3.95Å; A1644-W1657 CarbonylContact C-O 3.43Å; A1644-W1657 VanDerWaalsContact CA-O 3.32Å; A1644-W1657 WeakPolarHBondContact CA-O 3.12Å; I1645-W1657 PolarHBondContact N-O 2.77Å; I1645-W1657 PolarHBondContact O-N 3.35Å; R1655-W1657 HydrophobicContact CB-CZ2 4.47Å; R1655-W1657 VanDerWaalsContact CD-CZ2 3.47Å; W1657-F1659 HydrophobicContact CB-CD2 4.45Å; W1657-F1659 HydrophobicContact CB-CE2 3.82Å; W1657-F1659 HydrophobicContact CB-CZ 4.42Å; W1657-Y1683 HydrophobicContact CE3-CD1 4.43Å; W1657-Y1683 HydrophobicContact CE3-CE1 4.3Å; W1657-Y1683 HydrophobicContact CH2-CE1 4.38Å; W1657-Y1683 AromaticContact CZ3-CD1 3.88Å; W1657-Y1683 HydrophobicContact CZ3-CD1 3.88Å; W1657-Y1683 AromaticContact CZ3-CE1 3.68Å; W1657-Y1683 HydrophobicContact CZ3-CE1 3.68Å; W1657-L1694 HydrophobicContact CB-CD1 4.5Å; W1657-L1694 HydrophobicContact CE3-CD1 4.25Å; W1657-L1694 HydrophobicContact CE3-CD2 3.89Å; W1657-L1694 HydrophobicContact CZ3-CD2 3.93Å; W1657-E1696 HydrophobicContact CH2-CB 3.99Å; W1657-E1696 HydrophobicContact CZ3-CB 4.34Å |
| 1658 | N | 86.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 96.1 | 178.2 | -174.5 | -4 | 0 | 0 | 0 | 110.2 | Y1656 R1660 K1661 P1662 D1664 S1665 | Y1656-N1658 HydrophobicContact CE1-CB 3.75Å; N1658-R1660 PolarHBondContact O-N 2.55Å; N1658-R1660 PolarHBondContact OD1-N 2.85Å; N1658-K1661 WeakPolarHBondContact CB-O 3.41Å; N1658-K1661 CarbonylContact O-C 3.51Å; N1658-K1661 PolarHBondContact O-N 2.87Å; N1658-K1661 VanDerWaalsContact O-O 3.06Å; N1658-K1661 PolarHBondContact OD1-N 3.3Å; N1658-P1662 WeakPolarHBondContact O-CA 3.42Å; N1658-D1664 HydrophobicContact CB-CB 4.22Å; N1658-D1664 VanDerWaalsContact ND2-CB 3.34Å; N1658-D1664 WeakPolarHBondContact ND2-CB 3.09Å; N1658-S1665 PolarHBondContact N-OG 3.45Å |
| 1659 | F | 84 | Confident | 86.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.1 | -177.1 | -67 | -95.2 | 0 | 0 | 0 | 113.8 | I1556 A1592 T1594 V1639 L1642 P1643 I1645 W1657 Y1692 L1694 | I1556-F1659 HydrophobicContact CD1-CD1 4.39Å; I1556-F1659 HydrophobicContact CD1-CD2 4.01Å; I1556-F1659 HydrophobicContact CD1-CE1 4.13Å; I1556-F1659 HydrophobicContact CD1-CE2 3.75Å; I1556-F1659 HydrophobicContact CD1-CG 4.31Å; I1556-F1659 HydrophobicContact CD1-CZ 3.78Å; I1556-F1659 HydrophobicContact CG1-CZ 4.36Å; A1592-F1659 HydrophobicContact CB-CD1 3.95Å; A1592-F1659 HydrophobicContact CB-CE1 3.74Å; T1594-F1659 HydrophobicContact CG2-CE1 4.11Å; T1594-F1659 HydrophobicContact CG2-CE2 4.29Å; T1594-F1659 HydrophobicContact CG2-CZ 3.44Å; T1594-F1659 VanDerWaalsContact CG2-CZ 3.44Å; V1639-F1659 WeakPolarHBondContact CG1-O 3.45Å; L1642-F1659 HydrophobicContact CB-CB 3.71Å; L1642-F1659 HydrophobicContact CB-CG 4.38Å; L1642-F1659 HydrophobicContact CD1-CB 3.93Å; L1642-F1659 HydrophobicContact CD1-CD1 4.18Å; L1642-F1659 HydrophobicContact CD1-CG 4.27Å; L1642-F1659 HydrophobicContact CG-CB 4.49Å; P1643-F1659 WeakPolarHBondContact O-CD2 3.2Å; I1645-F1659 HydrophobicContact CD1-CE2 3.88Å; I1645-F1659 HydrophobicContact CG1-CE2 4.36Å; W1657-F1659 HydrophobicContact CB-CD2 4.45Å; W1657-F1659 HydrophobicContact CB-CE2 3.82Å; W1657-F1659 HydrophobicContact CB-CZ 4.42Å; F1659-Y1692 HydrophobicContact CB-CE1 4.33Å; F1659-Y1692 AromaticContact CD1-CD1 3.99Å; F1659-Y1692 HydrophobicContact CD1-CD1 3.99Å; F1659-Y1692 HydrophobicContact CD1-CE1 4.07Å; F1659-L1694 HydrophobicContact CD1-CD1 4.32Å; F1659-L1694 HydrophobicContact CE1-CB 4.31Å; F1659-L1694 HydrophobicContact CG-CD1 4.42Å |
| 1660 | R | 75.9 | Confident | 86.4 | Confident | 82 Ų | 82 | 29 Ų | 29 | 31% | 0.309 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -28.2 | 173.9 | -65.6 | -170.7 | 177.6 | 89.9 | 11.9 | 113.6 | N1623 T1640 H1641 L1642 N1658 | N1623-R1660 PolarHBondContact ND2-NH2 2.65Å; N1623-R1660 VanDerWaalsContact ND2-NH2 3.1Å; N1623-R1660 PolarHBondContact OD1-NH1 2.82Å; N1623-R1660 PolarHBondContact OD1-NH2 2.96Å; T1640-R1660 PolarHBondContact O-NE 3.09Å; H1641-R1660 PolarHBondContact O-NH2 2.9Å; H1641-R1660 VanDerWaalsContact O-NH2 3.13Å; L1642-R1660 PolarHBondContact O-NH1 2.95Å; L1642-R1660 PolarHBondContact O-NH2 2.82Å; N1658-R1660 PolarHBondContact O-N 2.55Å; N1658-R1660 PolarHBondContact OD1-N 2.85Å |
| 1661 | K | 78.2 | Confident | 86.3 | Confident | 91 Ų | 91 | 26.8 Ų | 26.8 | 40% | 0.396 | 13% | 0.127 | S | C | . | . | trans | -145 | 82.9 | -176.7 | -73.7 | -172.8 | 170.1 | -168.5 | 0 | 108.2 | N1658 E1663 D1664 | N1658-K1661 WeakPolarHBondContact CB-O 3.41Å; N1658-K1661 CarbonylContact O-C 3.51Å; N1658-K1661 PolarHBondContact O-N 2.87Å; N1658-K1661 VanDerWaalsContact O-O 3.06Å; N1658-K1661 PolarHBondContact OD1-N 3.3Å; K1661-E1663 VanDerWaalsContact C-OE2 3.23Å; K1661-E1663 WeakPolarHBondContact CA-OE2 3.47Å; K1661-E1663 VanDerWaalsContact CB-OE1 3.3Å; K1661-E1663 WeakPolarHBondContact CB-OE1 3.3Å; K1661-E1663 WeakPolarHBondContact CG-OE1 3.35Å; K1661-E1663 PolarHBondContact O-N 3.13Å; K1661-E1663 VanDerWaalsContact O-N 3.08Å; K1661-D1664 HydrophobicContact CB-CB 4.02Å; K1661-D1664 WeakPolarHBondContact CD-OD2 3.18Å; K1661-D1664 WeakPolarHBondContact O-CB 3.34Å; K1661-D1664 PolarHBondContact O-N 2.71Å | ||
| 1662 | P | 82 | Confident | 86 | Confident | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.078 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -49.2 | -35.9 | 179.3 | -30.4 | 37.2 | 0 | 0 | 0 | 112.9 | N1658 D1664 S1665 Y1683 Y1692 L1694 | N1658-P1662 WeakPolarHBondContact O-CA 3.42Å; P1662-D1664 VanDerWaalsContact C-N 3.3Å; P1662-D1664 PolarHBondContact O-N 2.92Å; P1662-S1665 WeakPolarHBondContact O-CB 3.35Å; P1662-S1665 PolarHBondContact O-N 3.36Å; P1662-S1665 PolarHBondContact O-OG 3.18Å; P1662-Y1683 WeakPolarHBondContact O-CB 3.26Å; P1662-Y1692 WeakPolarHBondContact CG-OH 3.44Å; P1662-L1694 HydrophobicContact CB-CD2 4.23Å; P1662-L1694 HydrophobicContact CB-CG 4.12Å; P1662-L1694 HydrophobicContact CG-CG 4.48Å |
| 1663 | E | 81.7 | Confident | 85.3 | Confident | 125 Ų | 125 | 30.4 Ų | 30.4 | 58% | 0.584 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -63.5 | -23.2 | 176.7 | 69.7 | -77.9 | -177.6 | 0 | 0 | 115.4 | K1661 S1665 | K1661-E1663 VanDerWaalsContact C-OE2 3.23Å; K1661-E1663 WeakPolarHBondContact CA-OE2 3.47Å; K1661-E1663 VanDerWaalsContact CB-OE1 3.3Å; K1661-E1663 WeakPolarHBondContact CB-OE1 3.3Å; K1661-E1663 WeakPolarHBondContact CG-OE1 3.35Å; K1661-E1663 PolarHBondContact O-N 3.13Å; K1661-E1663 VanDerWaalsContact O-N 3.08Å; E1663-S1665 VanDerWaalsContact C-N 3.31Å |
| 1664 | D | 83.2 | Confident | 84.6 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -83.8 | -5.9 | 172.1 | -84.7 | -26.9 | 0 | 0 | 0 | 112.4 | Y1656 N1658 K1661 P1662 | Y1656-D1664 WeakPolarHBondContact CD1-O 3.24Å; Y1656-D1664 WeakPolarHBondContact CE1-O 3.21Å; N1658-D1664 HydrophobicContact CB-CB 4.22Å; N1658-D1664 VanDerWaalsContact ND2-CB 3.34Å; N1658-D1664 WeakPolarHBondContact ND2-CB 3.09Å; K1661-D1664 HydrophobicContact CB-CB 4.02Å; K1661-D1664 WeakPolarHBondContact CD-OD2 3.18Å; K1661-D1664 WeakPolarHBondContact O-CB 3.34Å; K1661-D1664 PolarHBondContact O-N 2.71Å; P1662-D1664 VanDerWaalsContact C-N 3.3Å; P1662-D1664 PolarHBondContact O-N 2.92Å |
| 1665 | S | 86.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | trans | -71.8 | 145.8 | 177.5 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | Y1656 N1658 P1662 E1663 Y1683 | Y1656-S1665 CarbonylContact O-C 3.49Å; Y1656-S1665 VanDerWaalsContact O-CA 3.23Å; Y1656-S1665 WeakPolarHBondContact O-CA 3.28Å; Y1656-S1665 VanDerWaalsContact O-CB 3.31Å; Y1656-S1665 WeakPolarHBondContact O-CB 3.19Å; N1658-S1665 PolarHBondContact N-OG 3.45Å; P1662-S1665 WeakPolarHBondContact O-CB 3.35Å; P1662-S1665 PolarHBondContact O-N 3.36Å; P1662-S1665 PolarHBondContact O-OG 3.18Å; E1663-S1665 VanDerWaalsContact C-N 3.31Å; S1665-Y1683 WeakPolarHBondContact O-CD2 3.22Å; S1665-Y1683 VanDerWaalsContact O-CE2 3.29Å; S1665-Y1683 WeakPolarHBondContact O-CE2 3.29Å | ||
| 1666 | C | 88.6 | Confident | 82.6 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162.7 | -176.6 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | R1655 Y1656 L1668 | R1655-C1666 CarbonylContact C-O 3.33Å; R1655-C1666 WeakPolarHBondContact CA-O 3.43Å; Y1656-C1666 PolarHBondContact N-O 3.25Å; Y1656-C1666 PolarHBondContact O-N 2.92Å; C1666-L1668 PolarHBondContact O-N 2.94Å |
| 1667 | V | 88.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 106.6 | 157.3 | 174.8 | 0 | 0 | 0 | 0 | 106.9 | R1653 L1654 R1655 V1669 W1670 L1681 Y1683 | R1653-V1667 HydrophobicContact CB-CG1 4.24Å; R1653-V1667 HydrophobicContact CG-CG1 4.38Å; L1654-V1667 CarbonylContact O-C 3.5Å; R1655-V1667 HydrophobicContact CG-CG2 4.26Å; V1667-V1669 VanDerWaalsContact C-N 3.32Å; V1667-V1669 VanDerWaalsContact CG1-O 3.27Å; V1667-V1669 WeakPolarHBondContact CG1-O 3.27Å; V1667-W1670 HydrophobicContact CB-CD2 4.27Å; V1667-W1670 HydrophobicContact CB-CH2 4.36Å; V1667-W1670 HydrophobicContact CB-CZ2 3.96Å; V1667-W1670 HydrophobicContact CG1-CD2 3.63Å; V1667-W1670 HydrophobicContact CG1-CE3 4.02Å; V1667-W1670 HydrophobicContact CG1-CG 3.9Å; V1667-W1670 HydrophobicContact CG1-CZ2 4.25Å; V1667-W1670 HydrophobicContact CG1-CZ3 4.48Å; V1667-W1670 HydrophobicContact CG2-CH2 4.2Å; V1667-W1670 HydrophobicContact CG2-CZ2 4.28Å; V1667-W1670 HydrophobicContact CG2-CZ3 4.38Å; V1667-L1681 HydrophobicContact CG2-CD1 3.63Å; V1667-Y1683 PolarHBondContact N-OH 3.47Å |
| 1668 | L | 86.2 | Confident | 80.7 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -41.6 | 177.2 | -61.4 | 167.3 | 0 | 0 | 0 | 111.5 | P1241 V1646 L1654 Y1656 C1666 L1769 | P1241-L1668 HydrophobicContact CB-CD1 4.27Å; P1241-L1668 HydrophobicContact CB-CD2 3.91Å; P1241-L1668 HydrophobicContact CG-CD1 3.67Å; P1241-L1668 HydrophobicContact CG-CD2 3.54Å; P1241-L1668 HydrophobicContact CG-CG 4.22Å; V1646-L1668 HydrophobicContact CG1-CD1 3.89Å; V1646-L1668 HydrophobicContact CG2-CD1 4.2Å; L1654-L1668 HydrophobicContact CB-CB 4.2Å; L1654-L1668 HydrophobicContact CB-CD1 4.24Å; L1654-L1668 PolarHBondContact O-N 3.03Å; Y1656-L1668 HydrophobicContact CG-CD2 4.35Å; C1666-L1668 PolarHBondContact O-N 2.94Å; L1668-L1769 HydrophobicContact CD1-CD2 4.4Å |
| 1669 | V | 88.1 | Confident | 80.1 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 120 | -173.4 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | R1653 L1654 V1667 W1781 | R1653-V1669 WeakPolarHBondContact CA-O 3.18Å; L1654-V1669 HydrophobicContact CB-CB 3.99Å; L1654-V1669 HydrophobicContact CB-CG2 4.36Å; L1654-V1669 HydrophobicContact CD1-CB 3.96Å; L1654-V1669 HydrophobicContact CD1-CG2 3.79Å; L1654-V1669 HydrophobicContact CG-CB 4.25Å; L1654-V1669 PolarHBondContact N-O 3.26Å; L1654-V1669 PolarHBondContact O-N 3.17Å; V1667-V1669 VanDerWaalsContact C-N 3.32Å; V1667-V1669 VanDerWaalsContact CG1-O 3.27Å; V1667-V1669 WeakPolarHBondContact CG1-O 3.27Å; V1669-W1781 HydrophobicContact CB-CH2 4.27Å; V1669-W1781 HydrophobicContact CB-CZ3 4.19Å; V1669-W1781 HydrophobicContact CG1-CE3 4.33Å; V1669-W1781 HydrophobicContact CG1-CH2 3.32Å; V1669-W1781 HydrophobicContact CG1-CZ2 4.03Å; V1669-W1781 HydrophobicContact CG1-CZ3 3.49Å; V1669-W1781 VanDerWaalsContact CG1-CZ3 3.49Å; V1669-W1781 HydrophobicContact CG2-CD2 4.02Å; V1669-W1781 HydrophobicContact CG2-CE3 3.56Å; V1669-W1781 HydrophobicContact CG2-CH2 4.04Å; V1669-W1781 HydrophobicContact CG2-CZ2 4.44Å; V1669-W1781 HydrophobicContact CG2-CZ3 3.58Å |
| 1670 | W | 88.5 | Confident | 79.8 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | trans | -75 | 156 | 174 | -68.1 | 92 | 0 | 0 | 0 | 110.8 | V1667 D1674 E1675 P1678 P1679 L1681 G1751 | V1667-W1670 HydrophobicContact CB-CD2 4.27Å; V1667-W1670 HydrophobicContact CB-CH2 4.36Å; V1667-W1670 HydrophobicContact CB-CZ2 3.96Å; V1667-W1670 HydrophobicContact CG1-CD2 3.63Å; V1667-W1670 HydrophobicContact CG1-CE3 4.02Å; V1667-W1670 HydrophobicContact CG1-CG 3.9Å; V1667-W1670 HydrophobicContact CG1-CZ2 4.25Å; V1667-W1670 HydrophobicContact CG1-CZ3 4.48Å; V1667-W1670 HydrophobicContact CG2-CH2 4.2Å; V1667-W1670 HydrophobicContact CG2-CZ2 4.28Å; V1667-W1670 HydrophobicContact CG2-CZ3 4.38Å; W1670-D1674 HydrophobicContact CB-CB 4.22Å; W1670-D1674 HydrophobicContact CE3-CB 4.06Å; W1670-E1675 HydrophobicContact CB-CG 4.29Å; W1670-P1678 HydrophobicContact CD2-CB 3.68Å; W1670-P1678 VanDerWaalsContact CE2-CB 3.44Å; W1670-P1678 HydrophobicContact CE3-CB 4.16Å; W1670-P1678 HydrophobicContact CG-CB 4.1Å; W1670-P1678 HydrophobicContact CH2-CB 4.16Å; W1670-P1678 HydrophobicContact CZ2-CB 3.71Å; W1670-P1678 HydrophobicContact CZ3-CB 4.39Å; W1670-P1679 HydrophobicContact CH2-CG 3.78Å; W1670-P1679 WeakPolarHBondContact CH2-O 3.33Å; W1670-P1679 VanDerWaalsContact CZ3-CD 3.47Å; W1670-P1679 HydrophobicContact CZ3-CG 3.69Å; W1670-L1681 HydrophobicContact CH2-CD1 3.41Å; W1670-L1681 VanDerWaalsContact CH2-CD1 3.41Å; W1670-L1681 HydrophobicContact CH2-CG 3.9Å; W1670-L1681 HydrophobicContact CZ2-CD1 4.04Å; W1670-L1681 HydrophobicContact CZ3-CD1 4.22Å; W1670-G1751 VanDerWaalsContact O-CA 3.27Å; W1670-G1751 WeakPolarHBondContact O-CA 3.35Å | ||
| 1671 | A | 86.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | trans | -59.6 | 144.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | D1651 A1652 R1653 I1673 D1674 E1675 Y1716 | D1651-A1671 WeakPolarHBondContact O-CB 3.3Å; A1652-A1671 HydrophobicContact CB-CB 3.92Å; R1653-A1671 HydrophobicContact CG-CB 4.34Å; A1671-I1673 PolarHBondContact O-N 2.74Å; A1671-D1674 HydrophobicContact CB-CB 4.28Å; A1671-D1674 WeakPolarHBondContact O-CA 3.35Å; A1671-D1674 WeakPolarHBondContact O-CB 3.43Å; A1671-D1674 PolarHBondContact O-N 3.16Å; A1671-E1675 WeakPolarHBondContact O-CG 3.39Å; A1671-E1675 PolarHBondContact O-N 3.35Å; A1671-Y1716 VanDerWaalsContact CB-OH 3.29Å; A1671-Y1716 WeakPolarHBondContact CB-OH 3.36Å | ||
| 1672 | G | 79.6 | Confident | 80.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -7.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1749 H1752 | G1672-T1749 VanDerWaalsContact O-CG2 3.28Å; G1672-T1749 WeakPolarHBondContact O-CG2 3.31Å; G1672-H1752 PolarHBondContact N-O 3.08Å |
| 1673 | I | 75.3 | Confident | 80.5 | Confident | 81 Ų | 81 | 52.9 Ų | 52.9 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -23.9 | 176.7 | -60.1 | 156 | 0 | 0 | 0 | 110.8 | A1671 Y1716 | A1671-I1673 PolarHBondContact O-N 2.74Å; I1673-Y1716 HydrophobicContact CB-CE1 4.25Å; I1673-Y1716 HydrophobicContact CB-CE2 4.15Å; I1673-Y1716 HydrophobicContact CD1-CD1 4.36Å; I1673-Y1716 HydrophobicContact CD1-CE1 3.76Å; I1673-Y1716 HydrophobicContact CG2-CD2 4.34Å; I1673-Y1716 HydrophobicContact CG2-CE1 4.42Å; I1673-Y1716 HydrophobicContact CG2-CE2 3.74Å |
| 1674 | D | 76.1 | Confident | 80.7 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -22 | 175.3 | -67.6 | 1.3 | 0 | 0 | 0 | 112.4 | R1653 W1670 A1671 A1676 T1677 Y1716 | R1653-D1674 IonicContact CZ-OD2 3.11Å; R1653-D1674 VanDerWaalsContact CZ-OD2 3.22Å; R1653-D1674 IonicContact NE-OD2 2.71Å; R1653-D1674 PolarHBondContact NE-OD2 2.68Å; R1653-D1674 IonicContact NH2-OD2 3.66Å; R1653-D1674 PolarHBondContact NH2-OD2 3.01Å; W1670-D1674 HydrophobicContact CB-CB 4.22Å; W1670-D1674 HydrophobicContact CE3-CB 4.06Å; A1671-D1674 HydrophobicContact CB-CB 4.28Å; A1671-D1674 WeakPolarHBondContact O-CA 3.35Å; A1671-D1674 WeakPolarHBondContact O-CB 3.43Å; A1671-D1674 PolarHBondContact O-N 3.16Å; D1674-A1676 PolarHBondContact O-N 2.92Å; D1674-T1677 CarbonylContact O-C 3.55Å; D1674-T1677 PolarHBondContact O-N 3.39Å; D1674-Y1716 WeakPolarHBondContact OD1-CE2 3.24Å; D1674-Y1716 PolarHBondContact OD1-OH 3.12Å |
| 1675 | E | 69 | Low | 80.7 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.3 | -167.9 | -49.9 | -157.6 | 101.3 | 0 | 0 | 115.2 | W1670 A1671 T1749 K1750 G1751 | W1670-E1675 HydrophobicContact CB-CG 4.29Å; A1671-E1675 WeakPolarHBondContact O-CG 3.39Å; A1671-E1675 PolarHBondContact O-N 3.35Å; E1675-T1749 WeakPolarHBondContact OE2-CB 3.49Å; E1675-K1750 WeakPolarHBondContact OE1-CB 3.49Å; E1675-K1750 PolarHBondContact OE2-N 3.33Å; E1675-G1751 PolarHBondContact OE1-N 3.12Å; E1675-G1751 PolarHBondContact OE2-N 3.35Å; E1675-G1751 VanDerWaalsContact OE2-N 3.09Å |
| 1676 | A | 68.8 | Low | 80.7 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 76% | 0.76 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1674 | D1674-A1676 PolarHBondContact O-N 2.92Š|
| 1677 | T | 71.8 | Confident | 80.3 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -147.7 | 66.6 | -176.2 | 47 | 0 | 0 | 0 | 0 | 110.8 | D1674 | D1674-T1677 CarbonylContact O-C 3.55Å; D1674-T1677 PolarHBondContact O-N 3.39Å |
| 1678 | P | 70.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 126.5 | 178.7 | 25.2 | -34.2 | 0 | 0 | 0 | 110.6 | W1670 | W1670-P1678 HydrophobicContact CD2-CB 3.68Å; W1670-P1678 VanDerWaalsContact CE2-CB 3.44Å; W1670-P1678 HydrophobicContact CE3-CB 4.16Å; W1670-P1678 HydrophobicContact CG-CB 4.1Å; W1670-P1678 HydrophobicContact CH2-CB 4.16Å; W1670-P1678 HydrophobicContact CZ2-CB 3.71Å; W1670-P1678 HydrophobicContact CZ3-CB 4.39Å |
| 1679 | P | 73.7 | Confident | 78.9 | Confident | 54 Ų | 54 | 63.9 Ų | 63.9 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 147.2 | 176.3 | 24.4 | -34 | 0 | 0 | 0 | 111.4 | W1670 L1681 | W1670-P1679 HydrophobicContact CH2-CG 3.78Å; W1670-P1679 WeakPolarHBondContact CH2-O 3.33Å; W1670-P1679 VanDerWaalsContact CZ3-CD 3.47Å; W1670-P1679 HydrophobicContact CZ3-CG 3.69Å; P1679-L1681 PolarHBondContact O-N 2.88Å |
| 1680 | R | 76.4 | Confident | 78.1 | Confident | 192 Ų | 192 | 69.1 Ų | 69.1 | 73% | 0.725 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 125.3 | 170.2 | -70.8 | -174.9 | 179 | 177.3 | 0.1 | 109.4 | D1699 | R1680-D1699 HydrophobicContact CB-CB 4.16Å; R1680-D1699 PolarHBondContact O-N 2.9Å |
| 1681 | L | 82.5 | Confident | 77.5 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 178.4 | -63.3 | 177.8 | 0 | 0 | 0 | 109.9 | V1667 W1670 P1679 Y1683 E1696 Q1697 T1698 | V1667-L1681 HydrophobicContact CG2-CD1 3.63Å; W1670-L1681 HydrophobicContact CH2-CD1 3.41Å; W1670-L1681 VanDerWaalsContact CH2-CD1 3.41Å; W1670-L1681 HydrophobicContact CH2-CG 3.9Å; W1670-L1681 HydrophobicContact CZ2-CD1 4.04Å; W1670-L1681 HydrophobicContact CZ3-CD1 4.22Å; P1679-L1681 PolarHBondContact O-N 2.88Å; L1681-Y1683 HydrophobicContact CB-CE2 3.94Å; L1681-E1696 HydrophobicContact CD1-CG 3.9Å; L1681-E1696 WeakPolarHBondContact CD1-OE1 3.34Å; L1681-E1696 HydrophobicContact CD2-CG 3.78Å; L1681-E1696 HydrophobicContact CG-CG 4.29Å; L1681-Q1697 CarbonylContact C-O 3.38Å; L1681-Q1697 VanDerWaalsContact CA-O 3.24Å; L1681-Q1697 WeakPolarHBondContact CA-O 3.46Å; L1681-T1698 HydrophobicContact CD2-CG2 3.66Å |
| 1682 | T | 83.5 | Confident | 77.5 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.8 | 169 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | Q1697 D1699 | T1682-Q1697 PolarHBondContact N-O 3.31Å; T1682-Q1697 PolarHBondContact O-N 3.49Å; T1682-D1699 WeakPolarHBondContact CG2-OD1 3.4Å; T1682-D1699 PolarHBondContact OG1-OD1 3.18Å |
| 1683 | Y | 86.8 | Confident | 77.8 | Confident | 37 Ų | 37 | 67 Ų | 67 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.8 | -178.4 | -66.1 | -95 | 0 | 0 | 0 | 109.6 | W1657 P1662 S1665 V1667 L1681 L1694 I1695 E1696 | W1657-Y1683 HydrophobicContact CE3-CD1 4.43Å; W1657-Y1683 HydrophobicContact CE3-CE1 4.3Å; W1657-Y1683 HydrophobicContact CH2-CE1 4.38Å; W1657-Y1683 AromaticContact CZ3-CD1 3.88Å; W1657-Y1683 HydrophobicContact CZ3-CD1 3.88Å; W1657-Y1683 AromaticContact CZ3-CE1 3.68Å; W1657-Y1683 HydrophobicContact CZ3-CE1 3.68Å; P1662-Y1683 WeakPolarHBondContact O-CB 3.26Å; S1665-Y1683 WeakPolarHBondContact O-CD2 3.22Å; S1665-Y1683 VanDerWaalsContact O-CE2 3.29Å; S1665-Y1683 WeakPolarHBondContact O-CE2 3.29Å; V1667-Y1683 PolarHBondContact N-OH 3.47Å; L1681-Y1683 HydrophobicContact CB-CE2 3.94Å; Y1683-L1694 HydrophobicContact CD1-CD2 4.05Å; Y1683-I1695 WeakPolarHBondContact CA-O 3.31Å; Y1683-E1696 HydrophobicContact CD1-CB 4.33Å; Y1683-E1696 HydrophobicContact CE1-CB 3.86Å; Y1683-E1696 HydrophobicContact CE1-CG 4.21Å |
| 1684 | R | 84.1 | Confident | 78.5 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 166.1 | 175.7 | 69.3 | 172.3 | -175.5 | -163.9 | 8.7 | 110.5 | I1695 Q1697 | R1684-I1695 HydrophobicContact CG-CB 3.96Å; R1684-I1695 HydrophobicContact CG-CD1 4.48Å; R1684-I1695 HydrophobicContact CG-CG2 4.48Å; R1684-I1695 PolarHBondContact N-O 3.03Å; R1684-I1695 VanDerWaalsContact N-O 3.13Å; R1684-I1695 PolarHBondContact O-N 3.33Å; R1684-Q1697 HydrophobicContact CG-CG 4.48Å |
| 1685 | S | 84.7 | Confident | 79 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.6 | 166.3 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | Y1692 I1693 | S1685-Y1692 WeakPolarHBondContact CB-OH 3.23Å; S1685-Y1692 WeakPolarHBondContact OG-CE2 3.32Å; S1685-Y1692 PolarHBondContact OG-OH 2.89Å; S1685-I1693 CarbonylContact C-O 3.59Å; S1685-I1693 WeakPolarHBondContact CA-O 3.44Å |
| 1686 | I | 85.6 | Confident | 79.9 | Confident | 55 Ų | 55 | 60 Ų | 60 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.2 | 167.5 | 63.9 | 173.5 | 0 | 0 | 0 | 109.1 | P1603 V1688 I1693 I1695 | P1603-I1686 HydrophobicContact CG-CD1 3.99Å; I1686-V1688 HydrophobicContact CD1-CG2 3.54Å; I1686-V1688 HydrophobicContact CG1-CG2 4.01Å; I1686-I1693 HydrophobicContact CG1-CB 4.08Å; I1686-I1693 PolarHBondContact N-O 2.84Å; I1686-I1693 PolarHBondContact O-N 2.87Å; I1686-I1695 HydrophobicContact CD1-CD1 3.68Å; I1686-I1695 HydrophobicContact CG1-CD1 3.8Å; I1686-I1695 HydrophobicContact CG2-CD1 4.4Å |
| 1687 | Y | 81.5 | Confident | 80.4 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.4 | 162.3 | -70.8 | -100 | 0 | 0 | 0 | 109.2 | H1636 V1639 V1691 Y1692 | H1636-Y1687 AromaticContact CE1-CE2 3.58Å; H1636-Y1687 AromaticContact ND1-CE2 3.93Å; H1636-Y1687 AromaticContact NE2-CE2 3.99Å; V1639-Y1687 HydrophobicContact CG2-CE1 4.3Å; V1639-Y1687 WeakPolarHBondContact CG2-OH 3.34Å; Y1687-V1691 WeakPolarHBondContact CA-O 3.46Å; Y1687-Y1692 HydrophobicContact CD1-CD2 4.17Å; Y1687-Y1692 AromaticContact CD2-CD2 3.95Å; Y1687-Y1692 HydrophobicContact CD2-CD2 3.95Å; Y1687-Y1692 HydrophobicContact CD2-CE2 4.5Å; Y1687-Y1692 AromaticContact CE1-CD2 3.82Å; Y1687-Y1692 HydrophobicContact CE1-CD2 3.82Å; Y1687-Y1692 HydrophobicContact CE1-CG 4.24Å; Y1687-Y1692 AromaticContact CE2-CD2 3.57Å; Y1687-Y1692 HydrophobicContact CE2-CD2 3.57Å; Y1687-Y1692 AromaticContact CE2-CE2 3.95Å; Y1687-Y1692 HydrophobicContact CE2-CE2 3.95Å; Y1687-Y1692 HydrophobicContact CG-CD2 4.25Å; Y1687-Y1692 AromaticContact CZ-CD2 3.53Å |
| 1688 | V | 73.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 122.8 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 108 | L1604 I1686 D1690 V1691 I1693 | L1604-V1688 HydrophobicContact CD1-CB 4.11Å; L1604-V1688 HydrophobicContact CD1-CG1 4.13Å; I1686-V1688 HydrophobicContact CD1-CG2 3.54Å; I1686-V1688 HydrophobicContact CG1-CG2 4.01Å; V1688-D1690 VanDerWaalsContact C-N 3.26Å; V1688-D1690 PolarHBondContact O-N 2.9Å; V1688-V1691 PolarHBondContact N-O 2.82Å; V1688-V1691 WeakPolarHBondContact O-CB 3.34Å; V1688-V1691 PolarHBondContact O-N 2.88Å; V1688-I1693 HydrophobicContact CB-CD1 3.8Å; V1688-I1693 HydrophobicContact CG2-CD1 3.77Å |
| 1689 | N | 71.8 | Confident | 80 | Confident | 139 Ų | 139 | 56.1 Ų | 56.1 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47.7 | -176.4 | -54.1 | -21.7 | 0 | 0 | 0 | 112 | V1691 | N1689-V1691 PolarHBondContact O-N 3Š|
| 1690 | D | 70.1 | Confident | 79 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -4.3 | -175.2 | -51.8 | -39.2 | 0 | 0 | 0 | 116.6 | V1688 | V1688-D1690 VanDerWaalsContact C-N 3.26Å; V1688-D1690 PolarHBondContact O-N 2.9Å |
| 1691 | V | 77 | Confident | 77.5 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 129.9 | 171.9 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | C1590 L1604 Y1687 V1688 N1689 I1693 | C1590-V1691 HydrophobicContact CB-CG2 4.31Å; L1604-V1691 HydrophobicContact CD1-CB 4.2Å; L1604-V1691 HydrophobicContact CD1-CG2 4.29Å; Y1687-V1691 WeakPolarHBondContact CA-O 3.46Å; V1688-V1691 PolarHBondContact N-O 2.82Å; V1688-V1691 WeakPolarHBondContact O-CB 3.34Å; V1688-V1691 PolarHBondContact O-N 2.88Å; N1689-V1691 PolarHBondContact O-N 3Å; V1691-I1693 HydrophobicContact CG1-CG1 4.41Å |
| 1692 | Y | 85.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 112.9 | 175.6 | -177.8 | -114.8 | 0 | 0 | 0 | 111.9 | L1591 A1592 S1593 V1639 L1642 F1659 P1662 S1685 Y1687 | L1591-Y1692 PolarHBondContact O-N 3.05Å; A1592-Y1692 CarbonylContact C-O 3.52Å; A1592-Y1692 WeakPolarHBondContact CA-O 3.38Å; A1592-Y1692 HydrophobicContact CB-CD1 4.37Å; A1592-Y1692 VanDerWaalsContact CB-O 3.28Å; A1592-Y1692 WeakPolarHBondContact CB-O 3.48Å; S1593-Y1692 PolarHBondContact N-O 3.13Å; V1639-Y1692 HydrophobicContact CB-CD1 4.48Å; V1639-Y1692 HydrophobicContact CB-CE1 4.44Å; V1639-Y1692 HydrophobicContact CG1-CD1 3.99Å; V1639-Y1692 HydrophobicContact CG1-CE1 3.54Å; V1639-Y1692 HydrophobicContact CG1-CE2 4.37Å; V1639-Y1692 HydrophobicContact CG2-CD1 3.6Å; V1639-Y1692 HydrophobicContact CG2-CD2 3.78Å; V1639-Y1692 HydrophobicContact CG2-CE1 3.97Å; V1639-Y1692 HydrophobicContact CG2-CE2 4.12Å; V1639-Y1692 HydrophobicContact CG2-CG 3.48Å; V1639-Y1692 VanDerWaalsContact CG2-CG 3.48Å; L1642-Y1692 HydrophobicContact CD1-CD1 4.19Å; F1659-Y1692 HydrophobicContact CB-CE1 4.33Å; F1659-Y1692 AromaticContact CD1-CD1 3.99Å; F1659-Y1692 HydrophobicContact CD1-CD1 3.99Å; F1659-Y1692 HydrophobicContact CD1-CE1 4.07Å; P1662-Y1692 WeakPolarHBondContact CG-OH 3.44Å; S1685-Y1692 WeakPolarHBondContact CB-OH 3.23Å; S1685-Y1692 WeakPolarHBondContact OG-CE2 3.32Å; S1685-Y1692 PolarHBondContact OG-OH 2.89Å; Y1687-Y1692 HydrophobicContact CD1-CD2 4.17Å; Y1687-Y1692 AromaticContact CD2-CD2 3.95Å; Y1687-Y1692 HydrophobicContact CD2-CD2 3.95Å; Y1687-Y1692 HydrophobicContact CD2-CE2 4.5Å; Y1687-Y1692 AromaticContact CE1-CD2 3.82Å; Y1687-Y1692 HydrophobicContact CE1-CD2 3.82Å; Y1687-Y1692 HydrophobicContact CE1-CG 4.24Å; Y1687-Y1692 AromaticContact CE2-CD2 3.57Å; Y1687-Y1692 HydrophobicContact CE2-CD2 3.57Å; Y1687-Y1692 AromaticContact CE2-CE2 3.95Å; Y1687-Y1692 HydrophobicContact CE2-CE2 3.95Å; Y1687-Y1692 HydrophobicContact CG-CD2 4.25Å; Y1687-Y1692 AromaticContact CZ-CD2 3.53Å |
| 1693 | I | 86.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.1 | -172.8 | -46.5 | -177.7 | 0 | 0 | 0 | 110.9 | S1593 W1595 P1603 L1604 S1685 I1686 V1688 V1691 I1695 | S1593-I1693 WeakPolarHBondContact O-CA 3.44Å; W1595-I1693 HydrophobicContact CB-CG2 4.08Å; P1603-I1693 HydrophobicContact CB-CD1 3.9Å; P1603-I1693 HydrophobicContact CB-CG2 4.06Å; P1603-I1693 HydrophobicContact CG-CD1 3.66Å; P1603-I1693 HydrophobicContact CG-CG2 4.12Å; L1604-I1693 HydrophobicContact CD1-CD1 3.8Å; L1604-I1693 HydrophobicContact CD2-CD1 4.45Å; L1604-I1693 HydrophobicContact CG-CD1 3.66Å; S1685-I1693 CarbonylContact C-O 3.59Å; S1685-I1693 WeakPolarHBondContact CA-O 3.44Å; I1686-I1693 HydrophobicContact CG1-CB 4.08Å; I1686-I1693 PolarHBondContact N-O 2.84Å; I1686-I1693 PolarHBondContact O-N 2.87Å; V1688-I1693 HydrophobicContact CB-CD1 3.8Å; V1688-I1693 HydrophobicContact CG2-CD1 3.77Å; V1691-I1693 HydrophobicContact CG1-CG1 4.41Å; I1693-I1695 HydrophobicContact CG2-CG1 4.06Å |
| 1694 | L | 88.7 | Confident | 69.9 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.1 | 172.8 | -149.9 | 175.3 | 0 | 0 | 0 | 109.4 | S1593 T1594 W1595 W1657 F1659 P1662 Y1683 | S1593-L1694 PolarHBondContact O-N 3.14Å; T1594-L1694 CarbonylContact C-O 3.34Å; T1594-L1694 WeakPolarHBondContact CA-O 3.19Å; W1595-L1694 PolarHBondContact N-O 2.9Å; W1657-L1694 HydrophobicContact CB-CD1 4.5Å; W1657-L1694 HydrophobicContact CE3-CD1 4.25Å; W1657-L1694 HydrophobicContact CE3-CD2 3.89Å; W1657-L1694 HydrophobicContact CZ3-CD2 3.93Å; F1659-L1694 HydrophobicContact CD1-CD1 4.32Å; F1659-L1694 HydrophobicContact CE1-CB 4.31Å; F1659-L1694 HydrophobicContact CG-CD1 4.42Å; P1662-L1694 HydrophobicContact CB-CD2 4.23Å; P1662-L1694 HydrophobicContact CB-CG 4.12Å; P1662-L1694 HydrophobicContact CG-CG 4.48Å; Y1683-L1694 HydrophobicContact CD1-CD2 4.05Å |
| 1695 | I | 87.3 | Confident | 67.5 | Low | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.9 | -171.1 | -61.7 | 171.6 | 0 | 0 | 0 | 110.8 | W1595 P1603 Y1683 R1684 I1686 I1693 Q1697 | W1595-I1695 HydrophobicContact CB-CG1 4.2Å; W1595-I1695 WeakPolarHBondContact O-CA 3.5Å; P1603-I1695 HydrophobicContact CG-CD1 4.34Å; Y1683-I1695 WeakPolarHBondContact CA-O 3.31Å; R1684-I1695 HydrophobicContact CG-CB 3.96Å; R1684-I1695 HydrophobicContact CG-CD1 4.48Å; R1684-I1695 HydrophobicContact CG-CG2 4.48Å; R1684-I1695 PolarHBondContact N-O 3.03Å; R1684-I1695 VanDerWaalsContact N-O 3.13Å; R1684-I1695 PolarHBondContact O-N 3.33Å; I1686-I1695 HydrophobicContact CD1-CD1 3.68Å; I1686-I1695 HydrophobicContact CG1-CD1 3.8Å; I1686-I1695 HydrophobicContact CG2-CD1 4.4Å; I1693-I1695 HydrophobicContact CG2-CG1 4.06Å; I1695-Q1697 HydrophobicContact CG2-CG 3.67Å |
| 1696 | E | 86.7 | Confident | 64.8 | Low | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 109.8 | 161.9 | 171.4 | -173.3 | 157.4 | 0 | 0 | 108.6 | W1595 A1596 R1653 R1655 W1657 L1681 Y1683 | W1595-E1696 PolarHBondContact O-N 2.81Å; A1596-E1696 HydrophobicContact CB-CB 4.31Å; A1596-E1696 VanDerWaalsContact CB-OE2 3.27Å; A1596-E1696 WeakPolarHBondContact CB-OE2 3.28Å; R1653-E1696 IonicContact NH1-OE1 3.33Å; R1653-E1696 PolarHBondContact NH1-OE1 3.42Å; R1655-E1696 IonicContact CZ-OE2 3.71Å; R1655-E1696 IonicContact NE-OE2 2.67Å; R1655-E1696 PolarHBondContact NE-OE2 3.15Å; R1655-E1696 IonicContact NH2-OE1 2.69Å; R1655-E1696 IonicContact NH2-OE2 3.63Å; R1655-E1696 PolarHBondContact NH2-OE2 3.17Å; W1657-E1696 HydrophobicContact CH2-CB 3.99Å; W1657-E1696 HydrophobicContact CZ3-CB 4.34Å; L1681-E1696 HydrophobicContact CD1-CG 3.9Å; L1681-E1696 WeakPolarHBondContact CD1-OE1 3.34Å; L1681-E1696 HydrophobicContact CD2-CG 3.78Å; L1681-E1696 HydrophobicContact CG-CG 4.29Å; Y1683-E1696 HydrophobicContact CD1-CB 4.33Å; Y1683-E1696 HydrophobicContact CE1-CB 3.86Å; Y1683-E1696 HydrophobicContact CE1-CG 4.21Å |
| 1697 | Q | 79.3 | Confident | 62.1 | Low | 52 Ų | 52 | 76.2 Ų | 76.2 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.7 | 173.1 | -64.5 | -156.4 | -99.3 | 0 | 0 | 111.2 | L1681 T1682 R1684 I1695 | L1681-Q1697 CarbonylContact C-O 3.38Å; L1681-Q1697 VanDerWaalsContact CA-O 3.24Å; L1681-Q1697 WeakPolarHBondContact CA-O 3.46Å; T1682-Q1697 PolarHBondContact N-O 3.31Å; T1682-Q1697 PolarHBondContact O-N 3.49Å; R1684-Q1697 HydrophobicContact CG-CG 4.48Å; I1695-Q1697 HydrophobicContact CG2-CG 3.67Å |
| 1698 | T | 73.4 | Confident | 59.7 | Low | 49 Ų | 49 | 77.1 Ų | 77.1 | 30% | 0.301 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.1 | 169 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | P1598 L1681 T1700 | P1598-T1698 HydrophobicContact CB-CG2 4.29Å; L1681-T1698 HydrophobicContact CD2-CG2 3.66Å; T1698-T1700 PolarHBondContact O-N 3.24Å |
| 1699 | D | 62.4 | Low | 57.5 | Low | 71 Ų | 71 | 80.6 Ų | 80.6 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | trans | -69.8 | 110.7 | -178 | -66.2 | -20.2 | 0 | 0 | 0 | 112 | R1680 T1682 | R1680-D1699 HydrophobicContact CB-CB 4.16Å; R1680-D1699 PolarHBondContact O-N 2.9Å; T1682-D1699 WeakPolarHBondContact CG2-OD1 3.4Å; T1682-D1699 PolarHBondContact OG1-OD1 3.18Å | ||
| 1700 | T | 52.3 | Low | 55.6 | Low | 128 Ų | 128 | 81.6 Ų | 81.6 | 79% | 0.785 | 49% | 0.491 | S | S | * | . | trans | -100.8 | 56.6 | 174.4 | 61 | 0 | 0 | 0 | 0 | 111.9 | T1698 | T1698-T1700 PolarHBondContact O-N 3.24Š| ||
| 1701 | S | 45 | Very low | 53.6 | Low | 90 Ų | 90 | 82.4 Ų | 82.4 | 63% | 0.629 | 50% | 0.495 | S | S | * | . | trans | -83.6 | 130.3 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1702 | S | 31.6 | Very low | 51.3 | Low | 115 Ų | 115 | 88 Ų | 88 | 80% | 0.804 | 53% | 0.529 | S | S | * | . | trans | -71.8 | 126.5 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1703 | V | 33.3 | Very low | 48.7 | Very low | 125 Ų | 125 | 97.1 Ų | 97.1 | 76% | 0.758 | 57% | 0.569 | S | S | * | * | trans | -132.7 | 119.2 | 153 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | D1705 | V1703-D1705 PolarHBondContact O-N 2.81Š| ||
| 1704 | N | 28.7 | Very low | 45.9 | Very low | 161 Ų | 161 | 101.2 Ų | 101.2 | 86% | 0.861 | 59% | 0.594 | S | S | * | * | trans | -82.7 | 107.3 | 167.3 | -75.8 | -22.8 | 0 | 0 | 0 | 108 | ||||
| 1705 | D | 31.8 | Very low | 42.9 | Very low | 140 Ų | 140 | 107.1 Ų | 107.1 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | trans | -151.6 | 135.6 | 159 | -117.9 | -37.4 | 0 | 0 | 0 | 112.6 | V1703 S1707 | V1703-D1705 PolarHBondContact O-N 2.81Å; D1705-S1707 PolarHBondContact O-N 3.33Å | ||
| 1706 | T | 29.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 112.8 Ų | 112.8 | 85% | 0.847 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -97.4 | 80.6 | -162.7 | 50.3 | 0 | 0 | 0 | 0 | 113 | ||
| 1707 | S | 28.8 | Very low | 37.4 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -164.7 | 30.8 | 167.7 | 49.5 | 0 | 0 | 0 | 0 | 118.1 | D1705 | D1705-S1707 PolarHBondContact O-N 3.33Š|
| 1708 | S | 30 | Very low | 35 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -154.1 | 19.9 | 168.3 | 53.4 | 0 | 0 | 0 | 0 | 116.8 | L1710 | S1708-L1710 PolarHBondContact O-N 2.83Š| ||
| 1709 | S | 28 | Very low | 32.8 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 91.7 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1710 | L | 31.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172 | -17.1 | 157 | -108.5 | 163.1 | 0 | 0 | 0 | 116.2 | S1708 | S1708-L1710 PolarHBondContact O-N 2.83Š|
| 1711 | L | 29.2 | Very low | 30 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -95.3 | -11.3 | -162 | -80.3 | 163.8 | 0 | 0 | 0 | 117.8 | ||
| 1712 | T | 27.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -114.9 | 29.9 | -164.5 | 43.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1713 | K | 29.5 | Very low | 29.1 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -139.1 | 5.7 | -178.9 | -115.5 | 177.5 | -177.4 | 178.4 | 0 | 118.1 | ||
| 1714 | T | 29.4 | Very low | 28.8 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 53% | 0.528 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -142.7 | 3.4 | -164.1 | 29.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1715 | M | 26 | Very low | 28.9 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 61% | 0.611 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 15 | -170.2 | -74.4 | -161.2 | 163.2 | 0 | 0 | 117.7 | ||
| 1716 | Y | 27.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 50% | 0.498 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 31.7 | 173.9 | -83.1 | -85.9 | 0 | 0 | 0 | 113.8 | A1671 I1673 D1674 | A1671-Y1716 VanDerWaalsContact CB-OH 3.29Å; A1671-Y1716 WeakPolarHBondContact CB-OH 3.36Å; I1673-Y1716 HydrophobicContact CB-CE1 4.25Å; I1673-Y1716 HydrophobicContact CB-CE2 4.15Å; I1673-Y1716 HydrophobicContact CD1-CD1 4.36Å; I1673-Y1716 HydrophobicContact CD1-CE1 3.76Å; I1673-Y1716 HydrophobicContact CG2-CD2 4.34Å; I1673-Y1716 HydrophobicContact CG2-CE1 4.42Å; I1673-Y1716 HydrophobicContact CG2-CE2 3.74Å; D1674-Y1716 WeakPolarHBondContact OD1-CE2 3.24Å; D1674-Y1716 PolarHBondContact OD1-OH 3.12Å |
| 1717 | T | 30.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.3 | -32.4 | 174.7 | 14 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1718 | E | 27.8 | Very low | 28.9 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | -127.8 | 45.4 | -161.9 | -59.6 | -164.6 | 132.2 | 0 | 0 | 116.6 | ||||
| 1719 | V | 27.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -128.1 | 69.5 | 169.7 | -166.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1720 | S | 26.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -167 | -26.7 | 156 | -81.5 | 0 | 0 | 0 | 0 | 111.9 | K1722 | S1720-K1722 VanDerWaalsContact C-N 3.28Å; S1720-K1722 PolarHBondContact O-N 3.12Å |
| 1721 | Q | 28.7 | Very low | 28.5 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 65.6 | 173.6 | -68 | -173.5 | -10.9 | 0 | 0 | 112.7 | ||||
| 1722 | K | 31.7 | Very low | 28.4 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -153.9 | 43.1 | 165.2 | -121.4 | 160.7 | -168.4 | 166.6 | 0 | 116.2 | S1720 | S1720-K1722 VanDerWaalsContact C-N 3.28Å; S1720-K1722 PolarHBondContact O-N 3.12Å | ||
| 1723 | L | 25.6 | Very low | 28.3 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 94% | 0.937 | 74% | 0.744 | S | S | * | * | trans | -105.8 | 96.4 | 148.5 | -95.1 | 162.3 | 0 | 0 | 0 | 107.4 | ||||
| 1724 | Q | 27.6 | Very low | 28.1 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -115 | 90.8 | -174 | -77.6 | -175.4 | -45.1 | 0 | 0 | 112 | ||||
| 1725 | S | 30.9 | Very low | 27.9 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -176.3 | 133 | 154.5 | 40.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1726 | S | 30.9 | Very low | 28 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -159.6 | 132.9 | -10 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1727 | S | 28.8 | Very low | 28 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | 56.5 | 133.7 | 151.7 | 60.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1728 | N | 29.8 | Very low | 27.7 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 80.7 | 136.9 | 152.5 | -56.3 | -11.7 | 0 | 0 | 0 | 118.7 | ||||
| 1729 | I | 28.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | cis | -163.1 | 143.6 | -20 | -124.1 | 159.9 | 0 | 0 | 0 | 108.4 | ||||
| 1730 | T | 28.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | trans | 51.2 | 136.7 | 167.4 | 54.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1731 | E | 25.9 | Very low | 27.8 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | -160.8 | 154.2 | -8.5 | -128.4 | 168.2 | -148.5 | 0 | 0 | 112.1 | ||||
| 1732 | V | 26.8 | Very low | 27.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 56.4 | 90.4 | 164 | -166.2 | 0 | 0 | 0 | 0 | 119.5 | ||
| 1733 | S | 25.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 49.8 | 86.9 | 148.7 | 66.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1734 | N | 25.3 | Very low | 27.6 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -117.2 | 167.3 | 173.1 | -130.7 | -22.4 | 0 | 0 | 0 | 113.1 | ||||
| 1735 | S | 25.8 | Very low | 27.7 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 146.1 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1736 | A | 27.8 | Very low | 27.9 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -162.2 | 124.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1737 | F | 26.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 51% | 0.513 | 77% | 0.772 | S | S | . | * | cis | 63 | 101.1 | 30.3 | -82.7 | -73.7 | 0 | 0 | 0 | 116.2 | I1351 V1739 | I1351-F1737 HydrophobicContact CD1-CZ 4.02Å; F1737-V1739 HydrophobicContact CB-CG2 3.98Å; F1737-V1739 HydrophobicContact CD1-CG2 3.63Å; F1737-V1739 HydrophobicContact CE1-CG2 4.36Å; F1737-V1739 HydrophobicContact CG-CG2 4.07Å | ||
| 1738 | P | 25.5 | Very low | 29.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -86.6 | 100.1 | 142.1 | 32 | -26.8 | 0 | 0 | 0 | 109.6 | S1740 | P1738-S1740 VanDerWaalsContact C-N 3.29Å; P1738-S1740 PolarHBondContact O-N 3.16Å; P1738-S1740 VanDerWaalsContact O-N 3.13Å | ||
| 1739 | V | 28 | Very low | 31.8 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -85.1 | 70.2 | 173.1 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | F1737 | F1737-V1739 HydrophobicContact CB-CG2 3.98Å; F1737-V1739 HydrophobicContact CD1-CG2 3.63Å; F1737-V1739 HydrophobicContact CE1-CG2 4.36Å; F1737-V1739 HydrophobicContact CG-CG2 4.07Å | ||
| 1740 | S | 28.5 | Very low | 34 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -152.1 | 129.9 | 171.9 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | P1738 | P1738-S1740 VanDerWaalsContact C-N 3.29Å; P1738-S1740 PolarHBondContact O-N 3.16Å; P1738-S1740 VanDerWaalsContact O-N 3.13Å | ||
| 1741 | G | 27.5 | Very low | 36.6 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | -85.8 | 111.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1742 | R | 26.2 | Very low | 39.6 | Very low | 239 Ų | 239 | 120 Ų | 120 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | trans | -151.6 | 130.8 | 161.9 | -107.2 | -177.6 | -179.6 | -174.5 | -0.1 | 110.2 | E1744 | R1742-E1744 PolarHBondContact O-N 3.27Š| ||
| 1743 | L | 27.5 | Very low | 42.4 | Very low | 175 Ų | 175 | 119.5 Ų | 119.5 | 92% | 0.916 | 65% | 0.65 | S | S | * | * | trans | -81 | 95.7 | 172.4 | -79.1 | 156.2 | 0 | 0 | 0 | 109.3 | ||||
| 1744 | E | 28 | Very low | 45.4 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | trans | -84.4 | 123.1 | 162.8 | -71.7 | -169.4 | 169.4 | 0 | 0 | 109.7 | R1742 R1746 | R1742-E1744 PolarHBondContact O-N 3.27Å; E1744-R1746 PolarHBondContact O-N 3.21Å | ||
| 1745 | L | 28.6 | Very low | 48.5 | Very low | 176 Ų | 176 | 110.8 Ų | 110.8 | 92% | 0.921 | 59% | 0.594 | S | S | * | * | trans | -70.9 | 93.2 | 171.1 | -78.1 | 80.6 | 0 | 0 | 0 | 109.4 | ||||
| 1746 | R | 35.3 | Very low | 51.7 | Low | 209 Ų | 209 | 106.4 Ų | 106.4 | 79% | 0.789 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 131.1 | 161.7 | -72.5 | -173.8 | 174.5 | -156.7 | -4.9 | 109.5 | E1744 S1748 | E1744-R1746 PolarHBondContact O-N 3.21Å; R1746-S1748 PolarHBondContact O-N 2.9Å |
| 1747 | E | 44.3 | Very low | 54.8 | Low | 184 Ų | 184 | 102.4 Ų | 102.4 | 86% | 0.86 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129.1 | 174 | -62.9 | -176.1 | 144.1 | 0 | 0 | 110.6 | T1749 | E1747-T1749 PolarHBondContact O-N 3.38Š|
| 1748 | S | 57.2 | Low | 57.9 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 122.8 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | R1746 | R1746-S1748 PolarHBondContact O-N 2.9Š|
| 1749 | T | 70.2 | Confident | 61.1 | Low | 34 Ų | 34 | 92.8 Ų | 92.8 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 151.4 | 157.4 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | G1672 E1675 E1747 G1751 K1753 K1779 | G1672-T1749 VanDerWaalsContact O-CG2 3.28Å; G1672-T1749 WeakPolarHBondContact O-CG2 3.31Å; E1675-T1749 WeakPolarHBondContact OE2-CB 3.49Å; E1747-T1749 PolarHBondContact O-N 3.38Å; T1749-G1751 PolarHBondContact OG1-O 3.04Å; T1749-K1753 WeakPolarHBondContact OG1-CE 3.37Å; T1749-K1779 PolarHBondContact O-NZ 3.04Å |
| 1750 | K | 75.1 | Confident | 64 | Low | 146 Ų | 146 | 87.4 Ų | 87.4 | 64% | 0.635 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -67.7 | -51.7 | 176.5 | -60.2 | 164.4 | -179.4 | 171.2 | 0 | 107.3 | M1245 E1675 K1779 W1781 | M1245-K1750 VanDerWaalsContact SD-O 3.4Å; E1675-K1750 WeakPolarHBondContact OE1-CB 3.49Å; E1675-K1750 PolarHBondContact OE2-N 3.33Å; K1750-K1779 WeakPolarHBondContact O-CD 3.31Å; K1750-K1779 WeakPolarHBondContact O-CE 3.33Å; K1750-K1779 PolarHBondContact O-NZ 2.81Å; K1750-W1781 WeakPolarHBondContact O-CH2 3.4Å; K1750-W1781 WeakPolarHBondContact O-CZ3 3.26Å |
| 1751 | G | 82.6 | Confident | 66.6 | Low | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -63.9 | 163.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | W1670 E1675 T1749 K1779 | W1670-G1751 VanDerWaalsContact O-CA 3.27Å; W1670-G1751 WeakPolarHBondContact O-CA 3.35Å; E1675-G1751 PolarHBondContact OE1-N 3.12Å; E1675-G1751 PolarHBondContact OE2-N 3.35Å; E1675-G1751 VanDerWaalsContact OE2-N 3.09Å; T1749-G1751 PolarHBondContact OG1-O 3.04Å; G1751-K1779 VanDerWaalsContact O-CE 3.31Å; G1751-K1779 WeakPolarHBondContact O-CE 3.32Å; G1751-K1779 PolarHBondContact O-NZ 3.34Å |
| 1752 | H | 88.9 | Confident | 69 | Low | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | trans | -78.1 | 146.6 | 171.5 | -85 | -55.5 | 0 | 0 | 0 | 111.5 | A1652 G1672 I1756 S1771 S1773 W1781 | A1652-H1752 HydrophobicContact CB-CB 4.38Å; G1672-H1752 PolarHBondContact N-O 3.08Å; H1752-I1756 HydrophobicContact CB-CG1 4.3Å; H1752-S1771 PolarHBondContact CD2-OG 2.73Å; H1752-S1771 VanDerWaalsContact CD2-OG 3.3Å; H1752-S1771 PolarHBondContact CE1-O 3.44Å; H1752-S1771 PolarHBondContact NE2-O 2.94Å; H1752-S1771 PolarHBondContact NE2-OG 3.4Å; H1752-S1773 VanDerWaalsContact CE1-CB 3.5Å; H1752-S1773 WeakPolarHBondContact CE1-CB 3.28Å; H1752-S1773 VanDerWaalsContact ND1-CB 3.34Å; H1752-S1773 WeakPolarHBondContact ND1-CB 3.36Å; H1752-W1781 AromaticContact CD2-CZ2 3.99Å | ||
| 1753 | K | 86.3 | Confident | 71.1 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -98.9 | -11.2 | -178.7 | -68.4 | -179 | 179.7 | 174.6 | 0 | 114 | T1749 | T1749-K1753 WeakPolarHBondContact OG1-CE 3.37Š|
| 1754 | N | 88.9 | Confident | 72.6 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -137.5 | 173.7 | -174.9 | -163.3 | 0.9 | 0 | 0 | 0 | 109.9 | A1652 I1756 S1773 D1775 | A1652-N1754 WeakPolarHBondContact CB-O 3.29Å; N1754-I1756 PolarHBondContact O-N 3Å; N1754-S1773 PolarHBondContact O-OG 2.97Å; N1754-D1775 HydrophobicContact CB-CB 3.81Å; N1754-D1775 PolarHBondContact ND2-N 3.48Å |
| 1755 | I | 90.3 | Very high | 74.1 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | trans | -56 | 123.7 | -174.4 | -55.5 | 172.6 | 0 | 0 | 0 | 110.6 | R1616 S1757 S1773 M1774 | R1616-I1755 VanDerWaalsContact NH1-CG2 3.3Å; I1755-S1757 PolarHBondContact O-N 3.18Å; I1755-S1773 WeakPolarHBondContact O-CA 3.34Å; I1755-M1774 HydrophobicContact CB-CB 4.49Å; I1755-M1774 HydrophobicContact CB-CG 4.25Å; I1755-M1774 HydrophobicContact CB-SD 4Å; I1755-M1774 HydrophobicContact CD1-SD 4.27Å; I1755-M1774 HydrophobicContact CG2-SD 4.16Å; I1755-M1774 WeakPolarHBondContact O-CG 3.13Å; I1755-M1774 PolarHBondContact O-N 3.33Å | ||
| 1756 | I | 92.8 | Very high | 75.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.8 | 172.4 | -65.5 | 170.3 | 0 | 0 | 0 | 107.7 | R1616 G1649 L1654 H1752 N1754 L1759 A1772 | R1616-I1756 WeakPolarHBondContact CB-O 3.36Å; G1649-I1756 PolarHBondContact O-N 3.36Å; L1654-I1756 HydrophobicContact CD2-CD1 3.72Å; L1654-I1756 HydrophobicContact CG-CD1 3.86Å; H1752-I1756 HydrophobicContact CB-CG1 4.3Å; N1754-I1756 PolarHBondContact O-N 3Å; I1756-L1759 HydrophobicContact CG2-CD2 3.8Å; I1756-L1759 HydrophobicContact CG2-CG 4.49Å; I1756-A1772 CarbonylContact C-O 3.55Å; I1756-A1772 VanDerWaalsContact CA-O 3.29Å; I1756-A1772 WeakPolarHBondContact CA-O 3.42Å; I1756-A1772 WeakPolarHBondContact CG2-O 3.28Å |
| 1757 | S | 92.1 | Very high | 77.6 | Confident | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -30.6 | -174.6 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | I1257 I1755 A1772 | I1257-S1757 PolarHBondContact N-OG 3.2Å; I1257-S1757 WeakPolarHBondContact O-CB 3.45Å; I1257-S1757 PolarHBondContact O-OG 3.01Å; I1755-S1757 PolarHBondContact O-N 3.18Å; S1757-A1772 PolarHBondContact N-O 2.89Å |
| 1758 | D | 92.2 | Very high | 79.3 | Confident | 27 Ų | 27 | 31.4 Ų | 31.4 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 154.3 | -179.1 | -146.1 | -16.5 | 0 | 0 | 0 | 112.7 | S1258 L1259 S1617 S1771 A1772 | S1258-D1758 WeakPolarHBondContact CA-OD2 3.36Å; S1258-D1758 WeakPolarHBondContact CB-OD2 3.31Å; S1258-D1758 PolarHBondContact OG-OD2 2.81Å; L1259-D1758 HydrophobicContact CB-CB 4.29Å; L1259-D1758 HydrophobicContact CD1-CB 4.46Å; L1259-D1758 HydrophobicContact CG-CB 4.09Å; L1259-D1758 PolarHBondContact N-OD2 3.17Å; S1617-D1758 PolarHBondContact OG-OD1 3.22Å; D1758-S1771 WeakPolarHBondContact O-CA 3.4Å; D1758-A1772 PolarHBondContact O-N 2.76Å |
| 1759 | L | 92.3 | Very high | 80.7 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.9 | -177.4 | -61.1 | -177.6 | 0 | 0 | 0 | 111 | S1617 V1646 L1654 I1756 V1770 | S1617-L1759 WeakPolarHBondContact O-CD1 3.45Å; S1617-L1759 WeakPolarHBondContact OG-CB 3.36Å; S1617-L1759 PolarHBondContact OG-N 2.85Å; V1646-L1759 HydrophobicContact CG1-CD1 4.23Å; L1654-L1759 HydrophobicContact CD2-CD1 4.47Å; L1654-L1759 HydrophobicContact CD2-CD2 3.55Å; I1756-L1759 HydrophobicContact CG2-CD2 3.8Å; I1756-L1759 HydrophobicContact CG2-CG 4.49Å; L1759-V1770 WeakPolarHBondContact CA-O 3.18Å |
| 1760 | T | 88.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 173.3 | 169.6 | -163.3 | 0 | 0 | 0 | 0 | 111.9 | L1259 T1261 V1770 | L1259-T1760 HydrophobicContact CB-CG2 4.07Å; L1259-T1760 HydrophobicContact CD1-CG2 3.97Å; T1261-T1760 WeakPolarHBondContact CB-OG1 3.41Å; T1261-T1760 WeakPolarHBondContact OG1-CG2 3.39Å; T1261-T1760 PolarHBondContact OG1-OG1 3.49Å; T1760-V1770 HydrophobicContact CG2-CB 3.9Å; T1760-V1770 HydrophobicContact CG2-CG1 4.5Å; T1760-V1770 HydrophobicContact CG2-CG2 4.32Å; T1760-V1770 PolarHBondContact N-O 3.06Å; T1760-V1770 PolarHBondContact O-N 2.94Å |
| 1761 | V | 83.9 | Confident | 82.5 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.1 | 179 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | T1261 F1410 L1619 A1767 F1768 | T1261-V1761 WeakPolarHBondContact CG2-O 3.45Å; F1410-V1761 HydrophobicContact CE1-CG2 4.37Å; L1619-V1761 HydrophobicContact CD1-CG2 3.72Å; L1619-V1761 HydrophobicContact CD2-CG2 3.33Å; L1619-V1761 HydrophobicContact CG-CG2 4.09Å; V1761-A1767 HydrophobicContact CG1-CB 4.34Å; V1761-F1768 WeakPolarHBondContact CA-O 3.45Å |
| 1762 | L | 77.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 151.5 | 165.8 | -68.1 | 169 | 0 | 0 | 0 | 110.5 | T1261 G1265 F1268 C1283 A1767 F1768 V1770 I1780 | T1261-L1762 HydrophobicContact CG2-CD2 4.37Å; G1265-L1762 CarbonylContact O-C 3.59Å; G1265-L1762 VanDerWaalsContact O-CA 3.3Å; G1265-L1762 WeakPolarHBondContact O-CA 3.35Å; G1265-L1762 VanDerWaalsContact O-CD2 3.22Å; G1265-L1762 WeakPolarHBondContact O-CD2 3.25Å; F1268-L1762 HydrophobicContact CB-CD2 4.08Å; F1268-L1762 HydrophobicContact CD1-CD1 3.79Å; F1268-L1762 HydrophobicContact CD1-CD2 3.8Å; F1268-L1762 HydrophobicContact CD1-CG 4.25Å; F1268-L1762 HydrophobicContact CE1-CD1 3.92Å; F1268-L1762 HydrophobicContact CG-CD2 4.32Å; C1283-L1762 HydrophobicContact CB-CD1 4.25Å; C1283-L1762 VanDerWaalsContact SG-CD1 3.52Å; L1762-A1767 CarbonylContact O-C 3.5Å; L1762-A1767 VanDerWaalsContact O-CA 3.29Å; L1762-A1767 WeakPolarHBondContact O-CA 3.43Å; L1762-F1768 HydrophobicContact CB-CB 4.37Å; L1762-F1768 PolarHBondContact N-O 2.91Å; L1762-F1768 PolarHBondContact O-N 2.89Å; L1762-V1770 HydrophobicContact CB-CG2 4.5Å; L1762-V1770 HydrophobicContact CD1-CG2 3.46Å; L1762-V1770 VanDerWaalsContact CD1-CG2 3.46Å; L1762-V1770 HydrophobicContact CG-CG2 3.68Å; L1762-I1780 HydrophobicContact CD1-CD1 4.18Å |
| 1763 | Q | 70.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 99.5 | 168.2 | -169 | -162.1 | 18.7 | 0 | 0 | 108.9 | F1227 G1265 R1266 P1411 Y1414 | F1227-Q1763 HydrophobicContact CD2-CG 4.26Å; F1227-Q1763 HydrophobicContact CE2-CG 3.87Å; F1227-Q1763 HydrophobicContact CZ-CG 4.31Å; G1265-Q1763 PolarHBondContact O-N 2.69Å; R1266-Q1763 WeakPolarHBondContact CG-O 3.35Å; P1411-Q1763 HydrophobicContact CG-CB 3.7Å; P1411-Q1763 HydrophobicContact CG-CG 4.42Å; Y1414-Q1763 PolarHBondContact OH-NE2 2.88Å |
| 1764 | A | 60 | Low | 83.4 | Confident | 14 Ų | 14 | 16.3 Ų | 16.3 | 12% | 0.116 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -134.8 | 58.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1283 Q1766 F1768 | C1283-A1764 HydrophobicContact CB-CB 4.31Å; C1283-A1764 WeakPolarHBondContact O-CB 3.48Å; A1764-Q1766 VanDerWaalsContact C-N 3.3Å; A1764-Q1766 PolarHBondContact N-O 2.98Å; A1764-Q1766 PolarHBondContact O-N 2.99Å; A1764-F1768 HydrophobicContact CB-CD2 4.1Å; A1764-F1768 HydrophobicContact CB-CE2 3.82Å; A1764-F1768 WeakPolarHBondContact O-CE2 3.47Å |
| 1765 | G | 59 | Low | 83.4 | Confident | 47 Ų | 47 | 15.5 Ų | 15.5 | 49% | 0.485 | 9% | 0.094 | S | C | . | . | S | Bend | trans | 101 | -40.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1227 | F1227-G1765 VanDerWaalsContact CZ-N 3.31Š|
| 1766 | Q | 65.2 | Low | 83.2 | Confident | 66 Ų | 66 | 13.7 Ų | 13.7 | 31% | 0.308 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -128.4 | 170.1 | 163.6 | -71.1 | 167.5 | 16.3 | 0 | 0 | 108.1 | A1764 F1768 R1782 | A1764-Q1766 VanDerWaalsContact C-N 3.3Å; A1764-Q1766 PolarHBondContact N-O 2.98Å; A1764-Q1766 PolarHBondContact O-N 2.99Å; Q1766-F1768 HydrophobicContact CB-CE1 4.03Å; Q1766-F1768 HydrophobicContact CB-CZ 4.1Å; Q1766-R1782 VanDerWaalsContact OE1-CZ 3.31Å |
| 1767 | A | 71.6 | Confident | 83 | Confident | 6 Ų | 6 | 14.1 Ų | 14.1 | 5% | 0.05 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1235 W1236 V1761 L1762 | I1235-A1767 HydrophobicContact CB-CB 4.39Å; I1235-A1767 HydrophobicContact CG2-CB 3.41Å; I1235-A1767 VanDerWaalsContact CG2-CB 3.41Å; I1235-A1767 WeakPolarHBondContact O-CB 3.46Å; W1236-A1767 PolarHBondContact NE1-O 3.44Å; V1761-A1767 HydrophobicContact CG1-CB 4.34Å; L1762-A1767 CarbonylContact O-C 3.5Å; L1762-A1767 VanDerWaalsContact O-CA 3.29Å; L1762-A1767 WeakPolarHBondContact O-CA 3.43Å |
| 1768 | F | 80.4 | Confident | 83 | Confident | 5 Ų | 5 | 13.6 Ų | 13.6 | 2% | 0.022 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.3 | 178.9 | -54.8 | -57.6 | 0 | 0 | 0 | 109.6 | L1246 L1331 V1761 L1762 A1764 Q1766 I1780 W1781 R1782 | L1246-F1768 HydrophobicContact CD1-CD1 3.46Å; L1246-F1768 VanDerWaalsContact CD1-CD1 3.46Å; L1246-F1768 HydrophobicContact CD1-CE1 3.4Å; L1246-F1768 VanDerWaalsContact CD1-CE1 3.4Å; L1246-F1768 HydrophobicContact CD1-CG 4.31Å; L1246-F1768 HydrophobicContact CD1-CZ 4.21Å; L1331-F1768 HydrophobicContact CD2-CD2 4.25Å; L1331-F1768 HydrophobicContact CD2-CE2 4.25Å; V1761-F1768 WeakPolarHBondContact CA-O 3.45Å; L1762-F1768 HydrophobicContact CB-CB 4.37Å; L1762-F1768 PolarHBondContact N-O 2.91Å; L1762-F1768 PolarHBondContact O-N 2.89Å; A1764-F1768 HydrophobicContact CB-CD2 4.1Å; A1764-F1768 HydrophobicContact CB-CE2 3.82Å; A1764-F1768 WeakPolarHBondContact O-CE2 3.47Å; Q1766-F1768 HydrophobicContact CB-CE1 4.03Å; Q1766-F1768 HydrophobicContact CB-CZ 4.1Å; F1768-I1780 HydrophobicContact CB-CG2 3.75Å; F1768-I1780 HydrophobicContact CG-CG2 4.3Å; F1768-W1781 CarbonylContact C-O 3.46Å; F1768-W1781 WeakPolarHBondContact CA-O 3.38Å; F1768-W1781 WeakPolarHBondContact CB-O 3.34Å; F1768-R1782 HydrophobicContact CD1-CG 4.5Å; F1768-R1782 HydrophobicContact CE1-CG 4.36Å |
| 1769 | L | 87.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 142.7 | 168.8 | 177 | 66.6 | 0 | 0 | 0 | 108.6 | L1619 V1646 L1654 L1668 I1780 W1781 | L1619-L1769 HydrophobicContact CD2-CD1 3.65Å; V1646-L1769 HydrophobicContact CG1-CD1 4.33Å; V1646-L1769 HydrophobicContact CG1-CD2 3.93Å; L1654-L1769 HydrophobicContact CD1-CD2 3.82Å; L1654-L1769 HydrophobicContact CD2-CD2 4.5Å; L1668-L1769 HydrophobicContact CD1-CD2 4.4Å; L1769-I1780 CarbonylContact O-C 3.55Å; L1769-I1780 WeakPolarHBondContact O-CA 3.36Å; L1769-W1781 HydrophobicContact CB-CB 4.28Å; L1769-W1781 PolarHBondContact N-O 3.33Å; L1769-W1781 PolarHBondContact O-N 3.09Å |
| 1770 | V | 90.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 108 | L1259 F1268 L1759 T1760 L1762 I1778 K1779 I1780 | L1259-V1770 HydrophobicContact CD1-CB 4.38Å; L1259-V1770 HydrophobicContact CD1-CG1 3.84Å; F1268-V1770 HydrophobicContact CE2-CG1 4.25Å; F1268-V1770 HydrophobicContact CZ-CG1 4.26Å; L1759-V1770 WeakPolarHBondContact CA-O 3.18Å; T1760-V1770 HydrophobicContact CG2-CB 3.9Å; T1760-V1770 HydrophobicContact CG2-CG1 4.5Å; T1760-V1770 HydrophobicContact CG2-CG2 4.32Å; T1760-V1770 PolarHBondContact N-O 3.06Å; T1760-V1770 PolarHBondContact O-N 2.94Å; L1762-V1770 HydrophobicContact CB-CG2 4.5Å; L1762-V1770 HydrophobicContact CD1-CG2 3.46Å; L1762-V1770 VanDerWaalsContact CD1-CG2 3.46Å; L1762-V1770 HydrophobicContact CG-CG2 3.68Å; V1770-I1778 HydrophobicContact CG1-CG2 3.5Å; V1770-I1778 VanDerWaalsContact CG1-CG2 3.5Å; V1770-K1779 WeakPolarHBondContact CA-O 3.44Å; V1770-I1780 HydrophobicContact CG1-CG1 4.42Å; V1770-I1780 HydrophobicContact CG2-CG1 4.23Å; V1770-I1780 HydrophobicContact CG2-CG2 4.46Å |
| 1771 | S | 93 | Very high | 82.6 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131 | 173.9 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | H1752 D1758 I1778 K1779 W1781 | H1752-S1771 PolarHBondContact CD2-OG 2.73Å; H1752-S1771 VanDerWaalsContact CD2-OG 3.3Å; H1752-S1771 PolarHBondContact CE1-O 3.44Å; H1752-S1771 PolarHBondContact NE2-O 2.94Å; H1752-S1771 PolarHBondContact NE2-OG 3.4Å; D1758-S1771 WeakPolarHBondContact O-CA 3.4Å; S1771-I1778 WeakPolarHBondContact O-CA 3.09Å; S1771-K1779 PolarHBondContact N-O 3.44Å; S1771-K1779 PolarHBondContact O-N 3.07Å; S1771-W1781 PolarHBondContact OG-NE1 3.11Å |
| 1772 | A | 93.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 147.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1257 L1259 I1756 S1757 D1758 V1777 I1778 | I1257-A1772 HydrophobicContact CB-CB 3.79Å; I1257-A1772 HydrophobicContact CD1-CB 4.22Å; I1257-A1772 HydrophobicContact CG2-CB 3.66Å; L1259-A1772 HydrophobicContact CD1-CB 3.89Å; L1259-A1772 HydrophobicContact CD2-CB 4.04Å; L1259-A1772 HydrophobicContact CG-CB 3.89Å; I1756-A1772 CarbonylContact C-O 3.55Å; I1756-A1772 VanDerWaalsContact CA-O 3.29Å; I1756-A1772 WeakPolarHBondContact CA-O 3.42Å; I1756-A1772 WeakPolarHBondContact CG2-O 3.28Å; S1757-A1772 PolarHBondContact N-O 2.89Å; D1758-A1772 PolarHBondContact O-N 2.76Å; A1772-V1777 CarbonylContact C-O 3.57Å; A1772-I1778 HydrophobicContact CB-CG1 3.98Å |
| 1773 | S | 92.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147.7 | -175.8 | 161.9 | 0 | 0 | 0 | 0 | 111.2 | I1257 H1752 N1754 I1755 D1775 G1776 V1777 | I1257-S1773 WeakPolarHBondContact CD1-O 3.32Å; H1752-S1773 VanDerWaalsContact CE1-CB 3.5Å; H1752-S1773 WeakPolarHBondContact CE1-CB 3.28Å; H1752-S1773 VanDerWaalsContact ND1-CB 3.34Å; H1752-S1773 WeakPolarHBondContact ND1-CB 3.36Å; N1754-S1773 PolarHBondContact O-OG 2.97Å; I1755-S1773 WeakPolarHBondContact O-CA 3.34Å; S1773-D1775 VanDerWaalsContact CB-OD1 3.23Å; S1773-D1775 WeakPolarHBondContact CB-OD1 3.49Å; S1773-D1775 PolarHBondContact O-N 3.12Å; S1773-D1775 PolarHBondContact OG-OD1 3.04Å; S1773-G1776 PolarHBondContact O-N 3.4Å; S1773-G1776 VanDerWaalsContact O-N 3.09Å; S1773-V1777 PolarHBondContact N-O 3.06Å |
| 1774 | M | 90.3 | Very high | 83.1 | Confident | 35 Ų | 35 | 15.2 Ų | 15.2 | 17% | 0.172 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.9 | -174.5 | -71.4 | -171.2 | 167.2 | 0 | 0 | 114.9 | A1254 G1255 M1256 R1616 I1755 G1776 | A1254-M1774 CarbonylContact C-O 3.59Å; A1254-M1774 VanDerWaalsContact CA-O 3.29Å; A1254-M1774 WeakPolarHBondContact CA-O 3.21Å; A1254-M1774 WeakPolarHBondContact CB-O 3.38Å; G1255-M1774 PolarHBondContact N-O 3.04Å; G1255-M1774 WeakPolarHBondContact O-CA 3.37Å; M1256-M1774 HydrophobicContact CB-CE 4.13Å; M1256-M1774 HydrophobicContact CG-CE 3.87Å; M1256-M1774 HydrophobicContact SD-CE 4.38Å; R1616-M1774 VanDerWaalsContact NH1-CE 3.33Å; R1616-M1774 PolarHBondContact NH1-SD 2.91Å; I1755-M1774 HydrophobicContact CB-CB 4.49Å; I1755-M1774 HydrophobicContact CB-CG 4.25Å; I1755-M1774 HydrophobicContact CB-SD 4Å; I1755-M1774 HydrophobicContact CD1-SD 4.27Å; I1755-M1774 HydrophobicContact CG2-SD 4.16Å; I1755-M1774 WeakPolarHBondContact O-CG 3.13Å; I1755-M1774 PolarHBondContact O-N 3.33Å; M1774-G1776 VanDerWaalsContact C-N 3.32Å |
| 1775 | D | 88.3 | Confident | 84.4 | Confident | 43 Ų | 43 | 15.3 Ų | 15.3 | 23% | 0.23 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.9 | 171.2 | 56.8 | 2.1 | 0 | 0 | 0 | 114.2 | N1754 S1773 V1777 | N1754-D1775 HydrophobicContact CB-CB 3.81Å; N1754-D1775 PolarHBondContact ND2-N 3.48Å; S1773-D1775 VanDerWaalsContact CB-OD1 3.23Å; S1773-D1775 WeakPolarHBondContact CB-OD1 3.49Å; S1773-D1775 PolarHBondContact O-N 3.12Å; S1773-D1775 PolarHBondContact OG-OD1 3.04Å; D1775-V1777 WeakPolarHBondContact OD1-CB 3.5Å; D1775-V1777 WeakPolarHBondContact OD1-CG2 3.39Å; D1775-V1777 PolarHBondContact OD1-N 3.26Å |
| 1776 | G | 86.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 101.7 | -2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | H1252 S1773 M1774 | H1252-G1776 WeakPolarHBondContact O-CA 3.45Å; S1773-G1776 PolarHBondContact O-N 3.4Å; S1773-G1776 VanDerWaalsContact O-N 3.09Å; M1774-G1776 VanDerWaalsContact C-N 3.32Å |
| 1777 | V | 90 | Very high | 87.2 | Confident | 9 Ų | 9 | 10.1 Ų | 10.1 | 6% | 0.055 | 5% | 0.049 | C | C | . | . | trans | -94.1 | 134.5 | -173.2 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | N1248 L1249 Q1250 A1772 S1773 D1775 K1779 | N1248-V1777 WeakPolarHBondContact OD1-CG1 3.36Å; L1249-V1777 CarbonylContact O-C 3.05Å; L1249-V1777 WeakPolarHBondContact O-CA 3.48Å; Q1250-V1777 HydrophobicContact CB-CG2 4.4Å; Q1250-V1777 HydrophobicContact CG-CG2 3.96Å; A1772-V1777 CarbonylContact C-O 3.57Å; S1773-V1777 PolarHBondContact N-O 3.06Å; D1775-V1777 WeakPolarHBondContact OD1-CB 3.5Å; D1775-V1777 WeakPolarHBondContact OD1-CG2 3.39Å; D1775-V1777 PolarHBondContact OD1-N 3.26Å; V1777-K1779 HydrophobicContact CG1-CG 4.04Å | ||
| 1778 | I | 91.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.2 | 168.8 | -52.8 | 171.3 | 0 | 0 | 0 | 107.9 | L1249 I1257 L1259 F1268 W1281 V1770 S1771 A1772 | L1249-I1778 WeakPolarHBondContact CA-O 3.41Å; L1249-I1778 HydrophobicContact CB-CB 4.23Å; L1249-I1778 WeakPolarHBondContact CB-O 3Å; L1249-I1778 HydrophobicContact CD1-CB 4.4Å; L1249-I1778 HydrophobicContact CD1-CG2 4.4Å; L1249-I1778 PolarHBondContact N-O 3.36Å; L1249-I1778 PolarHBondContact O-N 2.79Å; I1257-I1778 HydrophobicContact CD1-CD1 4.49Å; I1257-I1778 HydrophobicContact CD1-CG1 3.99Å; I1257-I1778 HydrophobicContact CG2-CD1 4.28Å; L1259-I1778 HydrophobicContact CD2-CD1 3.96Å; L1259-I1778 HydrophobicContact CD2-CG1 4.5Å; L1259-I1778 HydrophobicContact CD2-CG2 4.35Å; F1268-I1778 HydrophobicContact CE2-CD1 4.45Å; F1268-I1778 HydrophobicContact CE2-CG2 4.2Å; F1268-I1778 HydrophobicContact CZ-CG2 4.33Å; W1281-I1778 HydrophobicContact CZ2-CD1 4.07Å; V1770-I1778 HydrophobicContact CG1-CG2 3.5Å; V1770-I1778 VanDerWaalsContact CG1-CG2 3.5Å; S1771-I1778 WeakPolarHBondContact O-CA 3.09Å; A1772-I1778 HydrophobicContact CB-CG1 3.98Å |
| 1779 | K | 90.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 10.8 Ų | 10.8 | 2% | 0.022 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143 | 178.4 | -70.9 | 173.2 | -178.1 | -85 | 0 | 110.8 | M1245 A1247 N1248 T1749 K1750 G1751 V1770 S1771 V1777 W1781 | M1245-K1779 HydrophobicContact SD-CD 4.11Å; M1245-K1779 HydrophobicContact SD-CG 4.32Å; M1245-K1779 PolarHBondContact SD-NZ 3.27Å; A1247-K1779 WeakPolarHBondContact O-CA 3.31Å; N1248-K1779 VanDerWaalsContact OD1-CE 3.29Å; N1248-K1779 WeakPolarHBondContact OD1-CE 3.49Å; N1248-K1779 PolarHBondContact OD1-NZ 3.47Å; T1749-K1779 PolarHBondContact O-NZ 3.04Å; K1750-K1779 WeakPolarHBondContact O-CD 3.31Å; K1750-K1779 WeakPolarHBondContact O-CE 3.33Å; K1750-K1779 PolarHBondContact O-NZ 2.81Å; G1751-K1779 VanDerWaalsContact O-CE 3.31Å; G1751-K1779 WeakPolarHBondContact O-CE 3.32Å; G1751-K1779 PolarHBondContact O-NZ 3.34Å; V1770-K1779 WeakPolarHBondContact CA-O 3.44Å; S1771-K1779 PolarHBondContact N-O 3.44Å; S1771-K1779 PolarHBondContact O-N 3.07Å; V1777-K1779 HydrophobicContact CG1-CG 4.04Å; K1779-W1781 HydrophobicContact CB-CD2 4.42Å; K1779-W1781 HydrophobicContact CB-CH2 4.14Å; K1779-W1781 HydrophobicContact CB-CZ2 3.41Å; K1779-W1781 VanDerWaalsContact CB-CZ2 3.41Å; K1779-W1781 HydrophobicContact CD-CH2 3.38Å; K1779-W1781 HydrophobicContact CD-CZ2 3.32Å; K1779-W1781 HydrophobicContact CD-CZ3 4.41Å; K1779-W1781 HydrophobicContact CG-CH2 4.39Å; K1779-W1781 HydrophobicContact CG-CZ2 4.01Å; K1779-W1781 PolarHBondContact O-NE1 3.18Å |
| 1780 | I | 88.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135 | 174.1 | -52.9 | -177.7 | 0 | 0 | 0 | 108.2 | L1246 A1247 L1249 F1268 L1331 L1762 F1768 L1769 V1770 | L1246-I1780 PolarHBondContact N-O 3.12Å; A1247-I1780 HydrophobicContact CB-CB 4.14Å; A1247-I1780 HydrophobicContact CB-CD1 4.24Å; A1247-I1780 HydrophobicContact CB-CG1 4.27Å; A1247-I1780 PolarHBondContact N-O 3.43Å; A1247-I1780 PolarHBondContact O-N 2.87Å; L1249-I1780 HydrophobicContact CD1-CD1 4.24Å; L1249-I1780 HydrophobicContact CD1-CG1 4.44Å; F1268-I1780 HydrophobicContact CE1-CD1 4.34Å; L1331-I1780 HydrophobicContact CD1-CG2 4.31Å; L1331-I1780 HydrophobicContact CD2-CD1 4.18Å; L1331-I1780 HydrophobicContact CD2-CG2 4.22Å; L1762-I1780 HydrophobicContact CD1-CD1 4.18Å; F1768-I1780 HydrophobicContact CB-CG2 3.75Å; F1768-I1780 HydrophobicContact CG-CG2 4.3Å; L1769-I1780 CarbonylContact O-C 3.55Å; L1769-I1780 WeakPolarHBondContact O-CA 3.36Å; V1770-I1780 HydrophobicContact CG1-CG1 4.42Å; V1770-I1780 HydrophobicContact CG2-CG1 4.23Å; V1770-I1780 HydrophobicContact CG2-CG2 4.46Å |
| 1781 | W | 86.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.2 | -172.7 | -37.6 | 84.5 | 0 | 0 | 0 | 111.8 | V1244 M1245 L1654 V1669 K1750 H1752 F1768 L1769 S1771 K1779 | V1244-W1781 CarbonylContact O-C 3.52Å; V1244-W1781 VanDerWaalsContact O-CA 3.26Å; V1244-W1781 WeakPolarHBondContact O-CA 3.48Å; M1245-W1781 HydrophobicContact CB-CE3 3.73Å; M1245-W1781 HydrophobicContact CB-CZ3 3.68Å; M1245-W1781 HydrophobicContact CG-CE3 4.29Å; M1245-W1781 HydrophobicContact CG-CZ3 4.16Å; L1654-W1781 HydrophobicContact CD1-CD2 4.31Å; L1654-W1781 HydrophobicContact CD1-CZ2 4.08Å; V1669-W1781 HydrophobicContact CB-CH2 4.27Å; V1669-W1781 HydrophobicContact CB-CZ3 4.19Å; V1669-W1781 HydrophobicContact CG1-CE3 4.33Å; V1669-W1781 HydrophobicContact CG1-CH2 3.32Å; V1669-W1781 HydrophobicContact CG1-CZ2 4.03Å; V1669-W1781 HydrophobicContact CG1-CZ3 3.49Å; V1669-W1781 VanDerWaalsContact CG1-CZ3 3.49Å; V1669-W1781 HydrophobicContact CG2-CD2 4.02Å; V1669-W1781 HydrophobicContact CG2-CE3 3.56Å; V1669-W1781 HydrophobicContact CG2-CH2 4.04Å; V1669-W1781 HydrophobicContact CG2-CZ2 4.44Å; V1669-W1781 HydrophobicContact CG2-CZ3 3.58Å; K1750-W1781 WeakPolarHBondContact O-CH2 3.4Å; K1750-W1781 WeakPolarHBondContact O-CZ3 3.26Å; H1752-W1781 AromaticContact CD2-CZ2 3.99Å; F1768-W1781 CarbonylContact C-O 3.46Å; F1768-W1781 WeakPolarHBondContact CA-O 3.38Å; F1768-W1781 WeakPolarHBondContact CB-O 3.34Å; L1769-W1781 HydrophobicContact CB-CB 4.28Å; L1769-W1781 PolarHBondContact N-O 3.33Å; L1769-W1781 PolarHBondContact O-N 3.09Å; S1771-W1781 PolarHBondContact OG-NE1 3.11Å; K1779-W1781 HydrophobicContact CB-CD2 4.42Å; K1779-W1781 HydrophobicContact CB-CH2 4.14Å; K1779-W1781 HydrophobicContact CB-CZ2 3.41Å; K1779-W1781 VanDerWaalsContact CB-CZ2 3.41Å; K1779-W1781 HydrophobicContact CD-CH2 3.38Å; K1779-W1781 HydrophobicContact CD-CZ2 3.32Å; K1779-W1781 HydrophobicContact CD-CZ3 4.41Å; K1779-W1781 HydrophobicContact CG-CH2 4.39Å; K1779-W1781 HydrophobicContact CG-CZ2 4.01Å; K1779-W1781 PolarHBondContact O-NE1 3.18Å |
| 1782 | R | 76.5 | Confident | 88.4 | Confident | 51 Ų | 51 | 13.5 Ų | 13.5 | 19% | 0.192 | 6% | 0.064 | C | C | . | . | trans | -94 | 0 | 171.3 | -154.4 | 176.3 | -179.9 | -155.1 | -5.1 | 112.1 | W1236 R1242 G1243 V1244 L1246 E1324 Q1766 F1768 | W1236-R1782 PolarHBondContact NE1-OXT 3.33Å; R1242-R1782 CarbonylContact C-O 3.47Å; R1242-R1782 WeakPolarHBondContact CA-O 3.23Å; R1242-R1782 PolarHBondContact N-O 3.11Å; R1242-R1782 PolarHBondContact N-OXT 2.77Å; G1243-R1782 PolarHBondContact N-O 3.48Å; V1244-R1782 HydrophobicContact CB-CB 4.14Å; V1244-R1782 PolarHBondContact N-O 2.77Å; V1244-R1782 PolarHBondContact O-N 3.37Å; L1246-R1782 HydrophobicContact CD1-CB 3.95Å; L1246-R1782 HydrophobicContact CD1-CG 4.4Å; L1246-R1782 HydrophobicContact CD2-CB 4.19Å; L1246-R1782 HydrophobicContact CG-CB 4.15Å; E1324-R1782 IonicContact OE1-NH1 3.41Å; E1324-R1782 PolarHBondContact OE1-NH1 2.71Å; Q1766-R1782 VanDerWaalsContact OE1-CZ 3.31Å; F1768-R1782 HydrophobicContact CD1-CG 4.5Å; F1768-R1782 HydrophobicContact CE1-CG 4.36Å |
Retrieved 1,782 of 1,782 residues in 887.4 ms
(Link to these results)